| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 28.8 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 97% | 0.966 | 75% | 0.753 | S | S | * | * | 0 | -47.2 | 0 | -77.8 | -175.1 | 176.6 | 0 | 0 | 113.1 | T3 R4 W5 | M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 3.12Å; M1-R4 PolarHBondContact O-N 3.33Å; M1-W5 PolarHBondContact O-N 3.22Å | |||
| 2 | K | 28.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -54 | -31.9 | 175.2 | -82.1 | -179.2 | 172.8 | 179.4 | 0 | 115.4 | H6 | K2-H6 PolarHBondContact O-CD2 2.73Å; K2-H6 VanDerWaalsContact O-CD2 3.32Å; K2-H6 PolarHBondContact O-N 2.86Å |
| 3 | T | 29.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -79.3 | -19.9 | 177.3 | 40.2 | 0 | 0 | 0 | 0 | 114.7 | M1 | M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 3.12Å |
| 4 | R | 27.9 | Very low | 28.7 | Very low | 210 Ų | 210 | 148.1 Ų | 148.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -85.1 | -25.4 | 174.6 | -140.2 | 176.8 | -171.5 | 175.9 | 2.2 | 111.8 | M1 | M1-R4 PolarHBondContact O-N 3.33Å |
| 5 | W | 30.4 | Very low | 28.5 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 172.3 | -81.5 | 80.7 | 0 | 0 | 0 | 112.7 | M1 R7 L8 V9 | M1-W5 PolarHBondContact O-N 3.22Å; W5-R7 VanDerWaalsContact C-N 3.34Å; W5-R7 PolarHBondContact O-N 3.11Å; W5-L8 PolarHBondContact O-N 2.91Å; W5-V9 PolarHBondContact O-N 2.81Å |
| 6 | H | 28.9 | Very low | 28.6 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 60% | 0.602 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.7 | -20 | 178.1 | -85.7 | -65.4 | 0 | 0 | 0 | 115.1 | K2 | K2-H6 PolarHBondContact O-CD2 2.73Å; K2-H6 VanDerWaalsContact O-CD2 3.32Å; K2-H6 PolarHBondContact O-N 2.86Å |
| 7 | R | 27.3 | Very low | 28.9 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -81.1 | -20.4 | 173.1 | -83 | -170.7 | -178.7 | 175.4 | 0.9 | 114.1 | W5 | W5-R7 VanDerWaalsContact C-N 3.34Å; W5-R7 PolarHBondContact O-N 3.11Å |
| 8 | L | 28.5 | Very low | 29.5 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -86.6 | -18.8 | 176.2 | -94.5 | 150.7 | 0 | 0 | 0 | 113.3 | W5 | W5-L8 PolarHBondContact O-N 2.91Å |
| 9 | V | 30.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -90.7 | -16.1 | 178.6 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | W5 | W5-V9 PolarHBondContact O-N 2.81Å |
| 10 | N | 25.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | trans | -105.3 | 16.7 | -175.9 | -80.5 | 5.6 | 0 | 0 | 0 | 115.2 | S12 | N10-S12 VanDerWaalsContact C-N 3.27Å; N10-S12 PolarHBondContact O-N 3.37Å; N10-S12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | M | 25.7 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -79.6 | 90.2 | 156.6 | -70.4 | -118.7 | 65.7 | 0 | 0 | 107.5 | ||
| 12 | S | 27.5 | Very low | 37.3 | Very low | 60 Ų | 60 | 123.6 Ų | 123.6 | 42% | 0.42 | 63% | 0.63 | S | S | . | * | trans | 8.8 | 113.4 | 155.7 | 42.9 | 0 | 0 | 0 | 0 | 116.5 | N10 V14 | N10-S12 VanDerWaalsContact C-N 3.27Å; N10-S12 PolarHBondContact O-N 3.37Å; N10-S12 VanDerWaalsContact O-N 3.11Å; S12-V14 PolarHBondContact O-N 3.3Å | ||
| 13 | A | 27.9 | Very low | 40.2 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 92% | 0.917 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 35.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 14 | V | 29.4 | Very low | 42.9 | Very low | 122 Ų | 122 | 111.3 Ų | 111.3 | 74% | 0.739 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | -13.5 | -175.3 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | S12 V16 | S12-V14 PolarHBondContact O-N 3.3Å; V14-V16 PolarHBondContact O-N 3.31Å |
| 15 | D | 26.9 | Very low | 45.6 | Very low | 127 Ų | 127 | 101.4 Ų | 101.4 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -90.3 | 95.6 | 173.4 | -74.4 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 16 | V | 29.7 | Very low | 48.3 | Very low | 98 Ų | 98 | 92.2 Ų | 92.2 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | trans | 70.3 | 91.9 | 156.9 | -129.1 | 0 | 0 | 0 | 0 | 114.3 | V14 T18 | V14-V16 PolarHBondContact O-N 3.31Å; V16-T18 HydrophobicContact CB-CG2 3.77Å; V16-T18 HydrophobicContact CG1-CG2 3.28Å; V16-T18 PolarHBondContact O-N 3.16Å | ||
| 17 | F | 34.2 | Very low | 51 | Low | 211 Ų | 211 | 86.7 Ų | 86.7 | 93% | 0.925 | 47% | 0.471 | S | S | * | . | -52.5 | 76.1 | 125.8 | -70.9 | -87 | 0 | 0 | 0 | 106.8 | S19 | F17-S19 PolarHBondContact O-N 3.45Š| |||
| 18 | T | 38.4 | Very low | 53.9 | Low | 94 Ų | 94 | 76.5 Ų | 76.5 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | trans | -65.8 | 95.1 | 158.9 | 37.9 | 0 | 0 | 0 | 0 | 101.8 | V16 T20 | V16-T18 HydrophobicContact CB-CG2 3.77Å; V16-T18 HydrophobicContact CG1-CG2 3.28Å; V16-T18 PolarHBondContact O-N 3.16Å; T18-T20 PolarHBondContact O-N 3.14Å | ||
| 19 | S | 47.8 | Very low | 56.6 | Low | 63 Ų | 63 | 69.5 Ų | 69.5 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | trans | -53.7 | 91.2 | 160.8 | 51.6 | 0 | 0 | 0 | 0 | 105.5 | F17 F21 | F17-S19 PolarHBondContact O-N 3.45Å; S19-F21 PolarHBondContact O-N 3.31Å | ||
| 20 | T | 67.8 | Low | 59.3 | Low | 41 Ų | 41 | 64.6 Ų | 64.6 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | trans | -69.7 | 106.5 | 178.4 | 46.4 | 0 | 0 | 0 | 0 | 105.1 | T18 A213 | T18-T20 PolarHBondContact O-N 3.14Å; T20-A213 WeakPolarHBondContact O-CB 3.14Å; T20-A213 PolarHBondContact O-N 3.43Å | ||
| 21 | F | 84.2 | Confident | 62.2 | Low | 80 Ų | 80 | 59.1 Ų | 59.1 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 146.7 | 171.6 | -61.1 | -61.4 | 0 | 0 | 0 | 109.3 | S19 H23 V149 N210 V211 V212 | S19-F21 PolarHBondContact O-N 3.31Å; F21-H23 PolarHBondContact O-CE1 3.44Å; F21-H23 PolarHBondContact O-ND1 2.87Å; F21-V149 HydrophobicContact CB-CG1 3.84Å; F21-V149 HydrophobicContact CB-CG2 4.45Å; F21-V149 HydrophobicContact CG-CG1 4.37Å; F21-N210 HydrophobicContact CD1-CB 3.5Å; F21-N210 HydrophobicContact CE1-CB 3.75Å; F21-N210 HydrophobicContact CG-CB 4.24Å; F21-V211 WeakPolarHBondContact CA-O 3.24Å; F21-V212 HydrophobicContact CD1-CG2 4.06Å; F21-V212 HydrophobicContact CE1-CG2 4.16Å |
| 22 | L | 87 | Confident | 65.1 | Low | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | trans | -77.7 | 133.3 | 176.3 | -169.6 | 67.4 | 0 | 0 | 0 | 109.5 | D26 V28 I92 V149 V150 V211 V262 | L22-D26 HydrophobicContact CD1-CB 4.33Å; L22-V28 HydrophobicContact CD1-CG1 3.66Å; L22-I92 HydrophobicContact CD1-CD1 3.6Å; L22-I92 HydrophobicContact CD2-CD1 3.56Å; L22-I92 HydrophobicContact CG-CD1 3.59Å; L22-V149 WeakPolarHBondContact O-CA 3.21Å; L22-V150 HydrophobicContact CB-CB 4.41Å; L22-V150 HydrophobicContact CD2-CB 4.41Å; L22-V150 HydrophobicContact CG-CB 4.47Å; L22-V150 HydrophobicContact CG-CG2 4.36Å; L22-V150 PolarHBondContact O-N 2.87Å; L22-V211 HydrophobicContact CB-CB 4.16Å; L22-V211 HydrophobicContact CB-CG1 4.22Å; L22-V211 WeakPolarHBondContact CB-O 3.08Å; L22-V211 HydrophobicContact CD2-CB 4.35Å; L22-V211 HydrophobicContact CD2-CG1 3.88Å; L22-V211 PolarHBondContact N-O 2.98Å; L22-V262 HydrophobicContact CD1-CG1 4.18Å; L22-V262 HydrophobicContact CD2-CG1 4.16Å | ||
| 23 | H | 88.5 | Confident | 67.2 | Low | 29 Ų | 29 | 51.8 Ų | 51.8 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 154.1 | -178.8 | -54.6 | 86.4 | 0 | 0 | 0 | 112.6 | F21 G25 D26 G147 H148 Y268 | F21-H23 PolarHBondContact O-CE1 3.44Å; F21-H23 PolarHBondContact O-ND1 2.87Å; H23-G25 PolarHBondContact O-N 3.1Å; H23-D26 PolarHBondContact N-OD2 3.47Å; H23-D26 IonicContact ND1-OD2 3.54Å; H23-D26 WeakPolarHBondContact O-CB 3.47Å; H23-D26 PolarHBondContact O-N 3.23Å; H23-D26 VanDerWaalsContact O-N 3.15Å; H23-G147 PolarHBondContact CD2-O 3.09Å; H23-H148 CarbonylContact C-O 3.58Å; H23-H148 WeakPolarHBondContact CA-O 3.16Å; H23-Y268 HydrophobicContact CB-CD1 3.69Å; H23-Y268 HydrophobicContact CB-CE1 3.99Å; H23-Y268 AromaticContact CD2-CE1 3.97Å; H23-Y268 AromaticContact CG-CD1 3.85Å; H23-Y268 AromaticContact CG-CE1 3.71Å; H23-Y268 AromaticContact ND1-CE1 3.94Å |
| 24 | I | 87 | Confident | 69.1 | Low | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 126.3 | 167.4 | -63.4 | -178.4 | 0 | 0 | 0 | 108.6 | P94 T145 I146 G147 H148 V150 | I24-P94 HydrophobicContact CD1-CB 4.42Å; I24-P94 HydrophobicContact CG2-CG 4.49Å; I24-T145 WeakPolarHBondContact CB-O 3.47Å; I24-I146 WeakPolarHBondContact O-CA 2.99Å; I24-G147 PolarHBondContact O-N 3.2Å; I24-H148 HydrophobicContact CD1-CB 4.15Å; I24-H148 HydrophobicContact CG1-CB 4.46Å; I24-H148 PolarHBondContact N-O 3.5Å; I24-V150 HydrophobicContact CG1-CG2 4.12Å |
| 25 | G | 83.6 | Confident | 70.6 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -12 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H23 I92 | H23-G25 PolarHBondContact O-N 3.1Å; G25-I92 WeakPolarHBondContact CA-O 3.24Å; G25-I92 PolarHBondContact N-O 2.96Å |
| 26 | D | 87.8 | Confident | 72 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -62.3 | 144 | 172 | -73 | -15.6 | 0 | 0 | 0 | 110.7 | L22 H23 V28 I92 L264 Y268 | L22-D26 HydrophobicContact CD1-CB 4.33Å; H23-D26 PolarHBondContact N-OD2 3.47Å; H23-D26 IonicContact ND1-OD2 3.54Å; H23-D26 WeakPolarHBondContact O-CB 3.47Å; H23-D26 PolarHBondContact O-N 3.23Å; H23-D26 VanDerWaalsContact O-N 3.15Å; D26-V28 HydrophobicContact CB-CG1 4.42Å; D26-I92 PolarHBondContact O-N 3.33Å; D26-L264 HydrophobicContact CB-CD1 3.96Å; D26-Y268 WeakPolarHBondContact OD1-CB 3.47Å; D26-Y268 PolarHBondContact OD1-N 3.09Å | ||
| 27 | I | 85.9 | Confident | 73.4 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.5 | 171.3 | -56.4 | 179.4 | 0 | 0 | 0 | 107.4 | L89 V161 F265 L266 | I27-L89 HydrophobicContact CG2-CB 4.04Å; I27-L89 HydrophobicContact CG2-CD2 4.4Å; I27-V161 HydrophobicContact CG2-CG2 4.11Å; I27-F265 HydrophobicContact CB-CD1 4.41Å; I27-F265 HydrophobicContact CG2-CB 4.3Å; I27-F265 HydrophobicContact CG2-CD1 3.96Å; I27-F265 WeakPolarHBondContact O-CA 3.48Å; I27-F265 WeakPolarHBondContact O-CB 3.31Å; I27-F265 PolarHBondContact O-N 3.23Å; I27-L266 HydrophobicContact CB-CB 4.14Å; I27-L266 HydrophobicContact CD1-CB 4.36Å; I27-L266 HydrophobicContact CD1-CD2 4.16Å; I27-L266 PolarHBondContact N-O 3.36Å; I27-L266 PolarHBondContact O-N 2.94Å |
| 28 | V | 87.1 | Confident | 74.9 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 167.9 | -177.1 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L22 D26 F90 I92 V262 L263 L264 | L22-V28 HydrophobicContact CD1-CG1 3.66Å; D26-V28 HydrophobicContact CB-CG1 4.42Å; V28-F90 WeakPolarHBondContact CG2-O 3.48Å; V28-F90 PolarHBondContact N-O 2.88Å; V28-F90 PolarHBondContact O-N 3.02Å; V28-I92 HydrophobicContact CG1-CD1 3.89Å; V28-I92 HydrophobicContact CG1-CG1 4.46Å; V28-I92 HydrophobicContact CG2-CD1 4.06Å; V28-I92 HydrophobicContact CG2-CG1 3.93Å; V28-V262 HydrophobicContact CB-CG1 3.98Å; V28-V262 HydrophobicContact CG1-CG1 3.84Å; V28-V262 HydrophobicContact CG2-CG1 4.37Å; V28-L263 CarbonylContact C-O 3.56Å; V28-L263 VanDerWaalsContact CA-O 3.32Å; V28-L263 WeakPolarHBondContact CA-O 3.37Å; V28-L264 HydrophobicContact CG1-CD1 4.46Å |
| 29 | S | 85.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.8 | 162.3 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | F68 C88 L263 | S29-F68 WeakPolarHBondContact OG-CE1 3.33Å; S29-F68 WeakPolarHBondContact OG-CZ 3.27Å; S29-C88 WeakPolarHBondContact CB-O 3.31Å; S29-L263 PolarHBondContact N-O 3.18Å; S29-L263 PolarHBondContact O-N 3.4Å; S29-L263 PolarHBondContact OG-O 3.11Å |
| 30 | L | 87.8 | Confident | 78.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.3 | -178.3 | -61.7 | 173.9 | 0 | 0 | 0 | 108.6 | L42 L158 L219 W260 V262 | L30-L42 HydrophobicContact CB-CB 4.15Å; L30-L42 HydrophobicContact CB-CD2 4.44Å; L30-L42 HydrophobicContact CD1-CD2 3.89Å; L30-L42 PolarHBondContact O-N 3.02Å; L30-L158 HydrophobicContact CD1-CD1 3.72Å; L30-L219 HydrophobicContact CD1-CD1 3.68Å; L30-W260 HydrophobicContact CB-CE3 3.76Å; L30-W260 HydrophobicContact CB-CZ3 4.27Å; L30-V262 HydrophobicContact CD2-CG2 3.96Å |
| 31 | Y | 86.7 | Confident | 79.2 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.3 | 177.3 | -177.8 | -108.6 | 0 | 0 | 0 | 109.6 | E33 I39 F41 P61 W260 Q261 | Y31-E33 HydrophobicContact CD1-CG 3.81Å; Y31-E33 HydrophobicContact CE1-CG 3.73Å; Y31-I39 HydrophobicContact CE1-CG2 4.1Å; Y31-I39 HydrophobicContact CE2-CG2 3.99Å; Y31-I39 WeakPolarHBondContact OH-CG2 3.46Å; Y31-F41 AromaticContact CD2-CD1 3.93Å; Y31-F41 HydrophobicContact CD2-CD1 3.93Å; Y31-F41 AromaticContact CD2-CD2 3.7Å; Y31-F41 HydrophobicContact CD2-CD2 3.7Å; Y31-F41 AromaticContact CD2-CE1 3.86Å; Y31-F41 HydrophobicContact CD2-CE1 3.86Å; Y31-F41 AromaticContact CD2-CE2 3.58Å; Y31-F41 HydrophobicContact CD2-CE2 3.58Å; Y31-F41 AromaticContact CD2-CG 3.9Å; Y31-F41 HydrophobicContact CD2-CG 3.9Å; Y31-F41 AromaticContact CD2-CZ 3.69Å; Y31-F41 HydrophobicContact CD2-CZ 3.69Å; Y31-F41 HydrophobicContact CE2-CD2 4.09Å; Y31-F41 AromaticContact CE2-CE2 3.88Å; Y31-F41 HydrophobicContact CE2-CE2 3.88Å; Y31-F41 HydrophobicContact CE2-CZ 4.33Å; Y31-F41 HydrophobicContact CG-CD1 4.47Å; Y31-F41 HydrophobicContact CG-CE1 4.24Å; Y31-F41 HydrophobicContact CG-CZ 4.3Å; Y31-P61 HydrophobicContact CD1-CG 3.7Å; Y31-P61 HydrophobicContact CD2-CG 4.33Å; Y31-P61 HydrophobicContact CE1-CG 3.69Å; Y31-P61 HydrophobicContact CE2-CG 4.32Å; Y31-P61 HydrophobicContact CG-CG 4.02Å; Y31-P61 VanDerWaalsContact CZ-CD 3.44Å; Y31-W260 CarbonylContact O-C 3.56Å; Y31-W260 WeakPolarHBondContact O-CA 3.44Å; Y31-Q261 PolarHBondContact N-O 2.9Å; Y31-Q261 PolarHBondContact O-N 2.83Å |
| 32 | A | 85.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 122 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I39 G40 V237 T258 C259 W260 | A32-I39 WeakPolarHBondContact O-CA 3.36Å; A32-G40 WeakPolarHBondContact CB-O 3.49Å; A32-G40 PolarHBondContact N-O 3.36Å; A32-G40 PolarHBondContact O-N 3.04Å; A32-G40 VanDerWaalsContact O-N 3.09Å; A32-V237 HydrophobicContact CB-CG2 3.91Å; A32-T258 HydrophobicContact CB-CG2 4.14Å; A32-C259 WeakPolarHBondContact CA-O 3.27Å; A32-W260 HydrophobicContact CB-CE3 3.95Å; A32-W260 HydrophobicContact CB-CH2 4.09Å; A32-W260 HydrophobicContact CB-CZ3 3.69Å |
| 33 | E | 72.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.8 | 168 | -75.3 | -176.9 | 149.3 | 0 | 0 | 109.2 | Y31 R216 C259 | Y31-E33 HydrophobicContact CD1-CG 3.81Å; Y31-E33 HydrophobicContact CE1-CG 3.73Å; E33-R216 IonicContact OE1-NH2 2.64Å; E33-R216 PolarHBondContact OE1-NH2 3.12Å; E33-R216 IonicContact OE2-CZ 2.73Å; E33-R216 IonicContact OE2-NE 3.42Å; E33-R216 PolarHBondContact OE2-NE 2.72Å; E33-R216 IonicContact OE2-NH2 3.19Å; E33-R216 PolarHBondContact OE2-NH2 2.82Å; E33-C259 HydrophobicContact CB-CB 4.33Å; E33-C259 PolarHBondContact N-O 3.44Å |
| 34 | G | 66.8 | Low | 78.4 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 43% | 0.433 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -163.4 | -163.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | I39 | G34-I39 WeakPolarHBondContact O-CD1 3.44Å; G34-I39 WeakPolarHBondContact O-CG1 3.21Å |
| 35 | V | 61 | Low | 77.4 | Confident | 119 Ų | 119 | 28.4 Ų | 28.4 | 72% | 0.721 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -58.5 | 148.7 | 170.2 | -172 | 0 | 0 | 0 | 0 | 108.7 | A37 T38 | V35-A37 CarbonylContact O-C 3.16Å; V35-A37 PolarHBondContact O-N 3.05Å; V35-T38 PolarHBondContact N-OG1 3.39Å; V35-T38 PolarHBondContact O-N 3.02Å; V35-T38 PolarHBondContact O-OG1 2.77Å |
| 36 | E | 56.1 | Low | 76.4 | Confident | 172 Ų | 172 | 28.7 Ų | 28.7 | 80% | 0.804 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -41.5 | -30.7 | -173.9 | -72.8 | -177.2 | 157.7 | 0 | 0 | 115.3 | ||
| 37 | A | 59.4 | Low | 75.3 | Confident | 55 Ų | 55 | 29.7 Ų | 29.7 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | V35 P56 K249 | V35-A37 CarbonylContact O-C 3.16Å; V35-A37 PolarHBondContact O-N 3.05Å; A37-P56 WeakPolarHBondContact O-CG 3.44Å; A37-K249 VanDerWaalsContact O-CD 3.29Å; A37-K249 WeakPolarHBondContact O-CD 3.08Å; A37-K249 WeakPolarHBondContact O-CE 3.49Å; A37-K249 PolarHBondContact O-NZ 3.03Å |
| 38 | T | 66.8 | Low | 74 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 4.6 | -177 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | V35 V237 | V35-T38 PolarHBondContact N-OG1 3.39Å; V35-T38 PolarHBondContact O-N 3.02Å; V35-T38 PolarHBondContact O-OG1 2.77Å; T38-V237 HydrophobicContact CG2-CG1 4.49Å |
| 39 | I | 77.7 | Confident | 73 | Confident | 46 Ų | 46 | 33.1 Ų | 33.1 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | trans | -72.4 | 139.8 | 179 | -59.7 | 179.5 | 0 | 0 | 0 | 110 | Y31 A32 G34 P56 | Y31-I39 HydrophobicContact CE1-CG2 4.1Å; Y31-I39 HydrophobicContact CE2-CG2 3.99Å; Y31-I39 WeakPolarHBondContact OH-CG2 3.46Å; A32-I39 WeakPolarHBondContact O-CA 3.36Å; G34-I39 WeakPolarHBondContact O-CD1 3.44Å; G34-I39 WeakPolarHBondContact O-CG1 3.21Å; I39-P56 WeakPolarHBondContact O-CA 3.37Å; I39-P56 VanDerWaalsContact O-CB 3.29Å; I39-P56 WeakPolarHBondContact O-CB 3.16Å | ||
| 40 | G | 80.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | 174.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115 | A32 | A32-G40 WeakPolarHBondContact CB-O 3.49Å; A32-G40 PolarHBondContact N-O 3.36Å; A32-G40 PolarHBondContact O-N 3.04Å; A32-G40 VanDerWaalsContact O-N 3.09Å |
| 41 | F | 85 | Confident | 71.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.7 | -178.7 | -71.6 | -82.8 | 0 | 0 | 0 | 112.9 | Y31 S43 P64 P65 F68 C88 L263 | Y31-F41 AromaticContact CD2-CD1 3.93Å; Y31-F41 HydrophobicContact CD2-CD1 3.93Å; Y31-F41 AromaticContact CD2-CD2 3.7Å; Y31-F41 HydrophobicContact CD2-CD2 3.7Å; Y31-F41 AromaticContact CD2-CE1 3.86Å; Y31-F41 HydrophobicContact CD2-CE1 3.86Å; Y31-F41 AromaticContact CD2-CE2 3.58Å; Y31-F41 HydrophobicContact CD2-CE2 3.58Å; Y31-F41 AromaticContact CD2-CG 3.9Å; Y31-F41 HydrophobicContact CD2-CG 3.9Å; Y31-F41 AromaticContact CD2-CZ 3.69Å; Y31-F41 HydrophobicContact CD2-CZ 3.69Å; Y31-F41 HydrophobicContact CE2-CD2 4.09Å; Y31-F41 AromaticContact CE2-CE2 3.88Å; Y31-F41 HydrophobicContact CE2-CE2 3.88Å; Y31-F41 HydrophobicContact CE2-CZ 4.33Å; Y31-F41 HydrophobicContact CG-CD1 4.47Å; Y31-F41 HydrophobicContact CG-CE1 4.24Å; Y31-F41 HydrophobicContact CG-CZ 4.3Å; F41-S43 PolarHBondContact O-N 2.87Å; F41-P64 HydrophobicContact CE2-CB 4.45Å; F41-P64 HydrophobicContact CZ-CB 4.32Å; F41-P65 HydrophobicContact CB-CG 4.44Å; F41-P65 HydrophobicContact CD2-CG 3.48Å; F41-P65 VanDerWaalsContact CD2-CG 3.48Å; F41-P65 HydrophobicContact CE2-CG 4.01Å; F41-P65 HydrophobicContact CG-CG 4.14Å; F41-F68 HydrophobicContact CB-CE2 3.93Å; F41-F68 HydrophobicContact CB-CZ 4.36Å; F41-F68 HydrophobicContact CD1-CE1 4.23Å; F41-F68 AromaticContact CD1-CE2 3.44Å; F41-F68 HydrophobicContact CD1-CE2 3.44Å; F41-F68 VanDerWaalsContact CD1-CE2 3.44Å; F41-F68 AromaticContact CD1-CZ 3.16Å; F41-F68 HydrophobicContact CD1-CZ 3.16Å; F41-F68 AromaticContact CD2-CE2 3.91Å; F41-F68 HydrophobicContact CD2-CE2 3.91Å; F41-F68 HydrophobicContact CD2-CZ 4.41Å; F41-F68 AromaticContact CE1-CE1 3.96Å; F41-F68 HydrophobicContact CE1-CE1 3.96Å; F41-F68 AromaticContact CE1-CE2 3.78Å; F41-F68 HydrophobicContact CE1-CE2 3.78Å; F41-F68 AromaticContact CE1-CZ 3.3Å; F41-F68 HydrophobicContact CE1-CZ 3.3Å; F41-F68 HydrophobicContact CE2-CE2 4.26Å; F41-F68 AromaticContact CG-CE2 3.46Å; F41-F68 HydrophobicContact CG-CE2 3.46Å; F41-F68 VanDerWaalsContact CG-CE2 3.46Å; F41-F68 AromaticContact CG-CZ 3.74Å; F41-F68 HydrophobicContact CG-CZ 3.74Å; F41-F68 HydrophobicContact CZ-CE2 4.17Å; F41-F68 HydrophobicContact CZ-CZ 4.03Å; F41-C88 HydrophobicContact CB-CB 4.33Å; F41-L263 HydrophobicContact CE1-CD1 3.83Å; F41-L263 HydrophobicContact CZ-CD1 4.04Å |
| 42 | L | 86 | Confident | 71.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 126.4 | 168.2 | -179.7 | 62.1 | 0 | 0 | 0 | 109.2 | L30 C52 C88 F90 L167 V251 W260 | L30-L42 HydrophobicContact CB-CB 4.15Å; L30-L42 HydrophobicContact CB-CD2 4.44Å; L30-L42 HydrophobicContact CD1-CD2 3.89Å; L30-L42 PolarHBondContact O-N 3.02Å; L42-C52 HydrophobicContact CD1-CB 4.31Å; L42-C88 WeakPolarHBondContact O-CA 3.45Å; L42-C88 WeakPolarHBondContact O-CB 3.21Å; L42-F90 HydrophobicContact CB-CE2 4.17Å; L42-F90 HydrophobicContact CD2-CD2 4.3Å; L42-F90 HydrophobicContact CD2-CE1 4.21Å; L42-F90 HydrophobicContact CD2-CE2 3.64Å; L42-F90 HydrophobicContact CD2-CZ 3.59Å; L42-F90 HydrophobicContact CG-CE2 3.73Å; L42-F90 HydrophobicContact CG-CZ 3.73Å; L42-L167 HydrophobicContact CD2-CD2 4.31Å; L42-V251 HydrophobicContact CD1-CB 4.17Å; L42-V251 HydrophobicContact CD1-CG1 4.03Å; L42-V251 HydrophobicContact CD1-CG2 3.71Å; L42-W260 HydrophobicContact CB-CH2 4.27Å; L42-W260 HydrophobicContact CB-CZ3 3.86Å; L42-W260 HydrophobicContact CD1-CH2 4.27Å |
| 43 | S | 79.6 | Confident | 71.6 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 175.6 | -177.5 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | F41 C52 V53 N87 | F41-S43 PolarHBondContact O-N 2.87Å; S43-C52 CarbonylContact O-C 3.33Å; S43-C52 WeakPolarHBondContact O-CA 3.41Å; S43-V53 CarbonylContact C-O 3.58Å; S43-V53 WeakPolarHBondContact CA-O 3.25Å; S43-V53 PolarHBondContact N-O 2.98Å; S43-V53 PolarHBondContact O-N 2.97Å; S43-V53 VanDerWaalsContact O-O 3.06Å; S43-V53 PolarHBondContact OG-O 2.71Å; S43-N87 VanDerWaalsContact CA-O 3.25Å; S43-N87 WeakPolarHBondContact CA-O 3.45Å |
| 44 | T | 76.8 | Confident | 72 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 165.3 | 171.6 | 83 | 0 | 0 | 0 | 0 | 111.4 | G46 N87 H160 L186 | T44-G46 PolarHBondContact OG1-N 3.3Å; T44-G46 PolarHBondContact OG1-O 3.35Å; T44-G46 VanDerWaalsContact OG1-O 3.07Å; T44-N87 VanDerWaalsContact C-ND2 3.33Å; T44-N87 PolarHBondContact O-ND2 2.93Å; T44-N87 PolarHBondContact OG1-ND2 3.23Å; T44-N87 PolarHBondContact OG1-OD1 3.42Å; T44-H160 VanDerWaalsContact CG2-CE1 3.49Å; T44-H160 WeakPolarHBondContact CG2-CE1 3.34Å; T44-L186 HydrophobicContact CG2-CD1 3.33Å; T44-L186 HydrophobicContact CG2-CG 4.35Å |
| 45 | L | 67.7 | Low | 72.4 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.3 | -21.3 | 175.9 | -70.9 | 176.2 | 0 | 0 | 0 | 113.5 | D49 R51 V53 L242 | L45-D49 HydrophobicContact CB-CB 4Å; L45-D49 WeakPolarHBondContact CD1-OD2 3.49Å; L45-R51 HydrophobicContact CD1-CB 4.21Å; L45-R51 PolarHBondContact N-O 3.37Å; L45-V53 HydrophobicContact CD1-CG1 4.18Å; L45-V53 HydrophobicContact CD2-CG1 4.22Å; L45-V53 HydrophobicContact CD2-CG2 3.83Å; L45-V53 HydrophobicContact CG-CG1 3.96Å; L45-V53 HydrophobicContact CG-CG2 4.04Å; L45-L242 HydrophobicContact CD1-CD1 4.19Å |
| 46 | G | 62.6 | Low | 72.7 | Confident | 8 Ų | 8 | 28 Ų | 28 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | trans | 172.4 | -168.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T44 | T44-G46 PolarHBondContact OG1-N 3.3Å; T44-G46 PolarHBondContact OG1-O 3.35Å; T44-G46 VanDerWaalsContact OG1-O 3.07Å | ||
| 47 | L | 63.9 | Low | 73 | Confident | 23 Ų | 23 | 23.4 Ų | 23.4 | 12% | 0.12 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -83 | -24.4 | 168.8 | -73.8 | 174 | 0 | 0 | 0 | 113.1 | K162 D498 D502 | L47-K162 HydrophobicContact CD2-CD 4.15Å; L47-K162 HydrophobicContact CD2-CG 4.2Å; L47-K162 HydrophobicContact CG-CD 4.35Å; L47-D498 HydrophobicContact CD1-CB 3.4Å; L47-D498 VanDerWaalsContact CD1-CB 3.4Å; L47-D502 PolarHBondContact N-OD2 3.33Å |
| 48 | V | 57.8 | Low | 73.2 | Confident | 51 Ų | 51 | 23.9 Ų | 23.9 | 31% | 0.309 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -85.8 | -25.6 | 179.4 | -175 | 0 | 0 | 0 | 0 | 111.5 | F499 D502 L531 | V48-F499 HydrophobicContact CG2-CD2 4.18Å; V48-F499 HydrophobicContact CG2-CE2 4.17Å; V48-D502 HydrophobicContact CG2-CB 4.21Å; V48-L531 HydrophobicContact CG1-CD1 3.96Å; V48-L531 HydrophobicContact CG2-CD1 4.13Å |
| 49 | D | 66.1 | Low | 73 | Confident | 37 Ų | 37 | 23.7 Ų | 23.7 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | trans | -114.1 | 106.8 | -177.8 | -169.9 | -19.1 | 0 | 0 | 0 | 110.6 | L45 R51 | L45-D49 HydrophobicContact CB-CB 4Å; L45-D49 WeakPolarHBondContact CD1-OD2 3.49Å; D49-R51 PolarHBondContact O-N 3.25Å; D49-R51 WeakPolarHBondContact OD1-CB 2.92Å; D49-R51 VanDerWaalsContact OD1-CG 3.22Å; D49-R51 WeakPolarHBondContact OD1-CG 3.33Å; D49-R51 IonicContact OD1-CZ 3.87Å; D49-R51 PolarHBondContact OD1-N 3.42Å; D49-R51 IonicContact OD1-NE 3.64Å; D49-R51 PolarHBondContact OD1-NE 2.97Å; D49-R51 IonicContact OD2-CZ 3.24Å; D49-R51 VanDerWaalsContact OD2-CZ 3.26Å; D49-R51 IonicContact OD2-NE 3.4Å; D49-R51 PolarHBondContact OD2-NE 3.05Å; D49-R51 VanDerWaalsContact OD2-NE 3.08Å; D49-R51 IonicContact OD2-NH2 3.85Å; D49-R51 PolarHBondContact OD2-NH2 3.32Å | ||
| 50 | D | 71.4 | Confident | 72.5 | Confident | 47 Ų | 47 | 24.5 Ų | 24.5 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | trans | -78.9 | 4.9 | -173.6 | -70.3 | -26.9 | 0 | 0 | 0 | 114.3 | K165 T185 L186 | D50-K165 IonicContact OD1-NZ 2.81Å; D50-K165 PolarHBondContact OD1-NZ 3.45Å; D50-K165 IonicContact OD2-NZ 3.26Å; D50-K165 PolarHBondContact OD2-NZ 3.02Å; D50-T185 WeakPolarHBondContact O-CA 2.96Å; D50-L186 HydrophobicContact CB-CB 4.19Å; D50-L186 PolarHBondContact O-N 3.36Å; D50-L186 VanDerWaalsContact O-N 3.11Å | ||
| 51 | R | 76.9 | Confident | 71.7 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 132.4 | 176 | -68.7 | -178.6 | -69.1 | 176.1 | -2.7 | 111.4 | L45 D49 E244 | L45-R51 HydrophobicContact CD1-CB 4.21Å; L45-R51 PolarHBondContact N-O 3.37Å; D49-R51 PolarHBondContact O-N 3.25Å; D49-R51 WeakPolarHBondContact OD1-CB 2.92Å; D49-R51 VanDerWaalsContact OD1-CG 3.22Å; D49-R51 WeakPolarHBondContact OD1-CG 3.33Å; D49-R51 IonicContact OD1-CZ 3.87Å; D49-R51 PolarHBondContact OD1-N 3.42Å; D49-R51 IonicContact OD1-NE 3.64Å; D49-R51 PolarHBondContact OD1-NE 2.97Å; D49-R51 IonicContact OD2-CZ 3.24Å; D49-R51 VanDerWaalsContact OD2-CZ 3.26Å; D49-R51 IonicContact OD2-NE 3.4Å; D49-R51 PolarHBondContact OD2-NE 3.05Å; D49-R51 VanDerWaalsContact OD2-NE 3.08Å; D49-R51 IonicContact OD2-NH2 3.85Å; D49-R51 PolarHBondContact OD2-NH2 3.32Å; R51-E244 IonicContact CZ-OE2 2.71Å; R51-E244 IonicContact NH1-OE2 3.89Å; R51-E244 PolarHBondContact NH1-OE2 3.38Å; R51-E244 IonicContact NH2-OE2 3.66Å; R51-E244 PolarHBondContact NH2-OE2 2.84Å |
| 52 | C | 84 | Confident | 70.7 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.5 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | L42 S43 L167 V184 V251 | L42-C52 HydrophobicContact CD1-CB 4.31Å; S43-C52 CarbonylContact O-C 3.33Å; S43-C52 WeakPolarHBondContact O-CA 3.41Å; C52-L167 HydrophobicContact CB-CD1 4.32Å; C52-L167 WeakPolarHBondContact SG-CD1 3.48Å; C52-V184 HydrophobicContact CB-CG1 4.3Å; C52-V251 HydrophobicContact CB-CB 4.05Å; C52-V251 PolarHBondContact O-N 3.07Å |
| 53 | V | 84 | Confident | 69.5 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.3 | -173.9 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | S43 L45 L242 K249 | S43-V53 CarbonylContact C-O 3.58Å; S43-V53 WeakPolarHBondContact CA-O 3.25Å; S43-V53 PolarHBondContact N-O 2.98Å; S43-V53 PolarHBondContact O-N 2.97Å; S43-V53 VanDerWaalsContact O-O 3.06Å; S43-V53 PolarHBondContact OG-O 2.71Å; L45-V53 HydrophobicContact CD1-CG1 4.18Å; L45-V53 HydrophobicContact CD2-CG1 4.22Å; L45-V53 HydrophobicContact CD2-CG2 3.83Å; L45-V53 HydrophobicContact CG-CG1 3.96Å; L45-V53 HydrophobicContact CG-CG2 4.04Å; V53-L242 HydrophobicContact CG1-CD1 3.52Å; V53-K249 CarbonylContact C-O 3.48Å; V53-K249 WeakPolarHBondContact CA-O 3.23Å; V53-K249 VanDerWaalsContact CB-O 3.25Å; V53-K249 WeakPolarHBondContact CB-O 3.46Å |
| 54 | V | 81 | Confident | 68.6 | Low | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.3 | 166.1 | 172 | 0 | 0 | 0 | 0 | 108.8 | V237 K249 V251 W260 | V54-V237 HydrophobicContact CB-CG1 3.98Å; V54-V237 HydrophobicContact CB-CG2 4.33Å; V54-V237 HydrophobicContact CG1-CG1 4.44Å; V54-V237 HydrophobicContact CG2-CG1 4.25Å; V54-V237 HydrophobicContact CG2-CG2 3.68Å; V54-K249 PolarHBondContact N-O 2.66Å; V54-K249 PolarHBondContact O-N 3Å; V54-V251 HydrophobicContact CB-CG2 4.47Å; V54-V251 HydrophobicContact CG2-CG2 3.68Å; V54-W260 HydrophobicContact CG2-CH2 3.98Å; V54-W260 HydrophobicContact CG2-CZ3 4.31Å |
| 55 | R | 76.8 | Confident | 67.6 | Low | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -112.5 | 110.7 | 173.9 | -76.5 | -169.7 | -178 | 100.6 | 5.4 | 110 | S57 F58 R84 D245 S248 | R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.15Å; R55-F58 HydrophobicContact CB-CB 3.88Å; R55-F58 HydrophobicContact CB-CD2 3.69Å; R55-F58 HydrophobicContact CB-CG 3.99Å; R55-F58 HydrophobicContact CG-CD2 4.18Å; R55-F58 WeakPolarHBondContact O-CB 3.45Å; R55-F58 PolarHBondContact O-N 3.21Å; R55-R84 VanDerWaalsContact CZ-NH1 3.29Å; R55-R84 VanDerWaalsContact NH2-NH1 3.1Å; R55-D245 IonicContact CZ-OD2 3.27Å; R55-D245 IonicContact NE-OD2 3.86Å; R55-D245 PolarHBondContact NE-OD2 3.29Å; R55-D245 IonicContact NH2-OD2 2.65Å; R55-D245 PolarHBondContact NH2-OD2 2.9Å; R55-S248 VanDerWaalsContact CG-OG 3.31Å; R55-S248 WeakPolarHBondContact CG-OG 3.4Å; R55-S248 VanDerWaalsContact CZ-OG 3.3Å; R55-S248 PolarHBondContact NE-OG 3.36Å; R55-S248 PolarHBondContact NH2-OG 2.85Å | ||
| 56 | P | 66.2 | Low | 66.9 | Low | 48 Ų | 48 | 41.2 Ų | 41.2 | 31% | 0.312 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -64.5 | -30.8 | 179 | -21.6 | 32.7 | 0 | 0 | 0 | 114.5 | A37 I39 F58 E247 K249 | A37-P56 WeakPolarHBondContact O-CG 3.44Å; I39-P56 WeakPolarHBondContact O-CA 3.37Å; I39-P56 VanDerWaalsContact O-CB 3.29Å; I39-P56 WeakPolarHBondContact O-CB 3.16Å; P56-F58 PolarHBondContact O-N 3.01Å; P56-E247 VanDerWaalsContact CD-O 3.31Å; P56-E247 WeakPolarHBondContact CD-O 3.47Å; P56-K249 HydrophobicContact CG-CD 4.47Å |
| 57 | S | 63.4 | Low | 66.4 | Low | 74 Ų | 74 | 42.7 Ų | 42.7 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -69.8 | -8.1 | 176.9 | 51.6 | 0 | 0 | 0 | 0 | 114 | R55 E247 | R55-S57 VanDerWaalsContact C-N 3.29Å; R55-S57 PolarHBondContact O-N 3.15Å; S57-E247 PolarHBondContact OG-OE2 2.87Å |
| 58 | F | 62.5 | Low | 65.6 | Low | 66 Ų | 66 | 42.3 Ų | 42.3 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -90.2 | 1.4 | -166.1 | -102.5 | -110.5 | 0 | 0 | 0 | 116.4 | R55 P56 P65 | R55-F58 HydrophobicContact CB-CB 3.88Å; R55-F58 HydrophobicContact CB-CD2 3.69Å; R55-F58 HydrophobicContact CB-CG 3.99Å; R55-F58 HydrophobicContact CG-CD2 4.18Å; R55-F58 WeakPolarHBondContact O-CB 3.45Å; R55-F58 PolarHBondContact O-N 3.21Å; P56-F58 PolarHBondContact O-N 3.01Å; F58-P65 HydrophobicContact CB-CB 4.48Å; F58-P65 HydrophobicContact CB-CG 4.39Å; F58-P65 HydrophobicContact CD1-CB 4.18Å; F58-P65 WeakPolarHBondContact O-CA 3.46Å; F58-P65 WeakPolarHBondContact O-CB 3.25Å; F58-P65 WeakPolarHBondContact O-CG 3.22Å |
| 59 | G | 62.5 | Low | 65 | Low | 24 Ų | 24 | 41.7 Ų | 41.7 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | trans | 121.7 | 166.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N63 | G59-N63 CarbonylContact C-O 3.5Å; G59-N63 WeakPolarHBondContact CA-O 3.42Å | ||
| 60 | T | 67.1 | Low | 63.5 | Low | 64 Ų | 64 | 40.4 Ų | 40.4 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | trans | -114.1 | 167.7 | -175.8 | 57.6 | 0 | 0 | 0 | 0 | 111 | E62 N63 P64 | T60-E62 VanDerWaalsContact C-N 3.26Å; T60-E62 PolarHBondContact O-N 3.39Å; T60-N63 PolarHBondContact N-O 3.11Å; T60-N63 CarbonylContact O-C 3.48Å; T60-N63 WeakPolarHBondContact O-CA 3.46Å; T60-N63 PolarHBondContact O-N 3.47Å; T60-N63 PolarHBondContact OG1-N 3.25Å; T60-P64 WeakPolarHBondContact O-CA 3.41Å | ||
| 61 | P | 64.4 | Low | 61.5 | Low | 25 Ų | 25 | 39.3 Ų | 39.3 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -56.6 | -38.5 | 177.3 | -27.5 | 36.9 | 0 | 0 | 0 | 113.4 | Y31 N63 P64 L263 Y334 | Y31-P61 HydrophobicContact CD1-CG 3.7Å; Y31-P61 HydrophobicContact CD2-CG 4.33Å; Y31-P61 HydrophobicContact CE1-CG 3.69Å; Y31-P61 HydrophobicContact CE2-CG 4.32Å; Y31-P61 HydrophobicContact CG-CG 4.02Å; Y31-P61 VanDerWaalsContact CZ-CD 3.44Å; P61-N63 VanDerWaalsContact C-N 3.29Å; P61-N63 PolarHBondContact O-N 2.81Å; P61-P64 WeakPolarHBondContact O-CD 3.27Å; P61-L263 HydrophobicContact CB-CD1 3.79Å; P61-L263 HydrophobicContact CG-CD1 4.07Å; P61-Y334 WeakPolarHBondContact O-CD1 3.28Å |
| 62 | E | 64 | Low | 59.3 | Low | 169 Ų | 169 | 42.9 Ų | 42.9 | 79% | 0.79 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -69.1 | -29 | 175.3 | -61.2 | -173.5 | 171.4 | 0 | 0 | 112.8 | T60 P333 | T60-E62 VanDerWaalsContact C-N 3.26Å; T60-E62 PolarHBondContact O-N 3.39Å; E62-P333 VanDerWaalsContact O-CG 3.28Å; E62-P333 WeakPolarHBondContact O-CG 3.43Å |
| 63 | N | 60.2 | Low | 56.5 | Low | 100 Ų | 100 | 47.5 Ų | 47.5 | 54% | 0.535 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -134.6 | 67.8 | -178.4 | -141.1 | 0.5 | 0 | 0 | 0 | 109 | G59 T60 P61 | G59-N63 CarbonylContact C-O 3.5Å; G59-N63 WeakPolarHBondContact CA-O 3.42Å; T60-N63 PolarHBondContact N-O 3.11Å; T60-N63 CarbonylContact O-C 3.48Å; T60-N63 WeakPolarHBondContact O-CA 3.46Å; T60-N63 PolarHBondContact O-N 3.47Å; T60-N63 PolarHBondContact OG1-N 3.25Å; P61-N63 VanDerWaalsContact C-N 3.29Å; P61-N63 PolarHBondContact O-N 2.81Å |
| 64 | P | 60.3 | Low | 53.7 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | trans | -64.2 | 158 | -169 | 27.3 | -33.8 | 0 | 0 | 0 | 108.9 | F41 T60 P61 K66 F68 P333 | F41-P64 HydrophobicContact CE2-CB 4.45Å; F41-P64 HydrophobicContact CZ-CB 4.32Å; T60-P64 WeakPolarHBondContact O-CA 3.41Å; P61-P64 WeakPolarHBondContact O-CD 3.27Å; P64-K66 PolarHBondContact O-N 3.06Å; P64-F68 HydrophobicContact CB-CB 3.79Å; P64-F68 HydrophobicContact CB-CD1 4.24Å; P64-F68 HydrophobicContact CB-CD2 4.28Å; P64-F68 HydrophobicContact CB-CG 3.85Å; P64-F68 HydrophobicContact CG-CB 4.27Å; P64-P333 HydrophobicContact CG-CB 4.07Å; P64-P333 VanDerWaalsContact CG-O 3.27Å; P64-P333 WeakPolarHBondContact CG-O 3.44Å | ||
| 65 | P | 56.8 | Low | 51 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | trans | -43.9 | 142.1 | -177.5 | -24.3 | 20.7 | 0 | 0 | 0 | 111.7 | F41 F58 K67 F68 | F41-P65 HydrophobicContact CB-CG 4.44Å; F41-P65 HydrophobicContact CD2-CG 3.48Å; F41-P65 VanDerWaalsContact CD2-CG 3.48Å; F41-P65 HydrophobicContact CE2-CG 4.01Å; F41-P65 HydrophobicContact CG-CG 4.14Å; F58-P65 HydrophobicContact CB-CB 4.48Å; F58-P65 HydrophobicContact CB-CG 4.39Å; F58-P65 HydrophobicContact CD1-CB 4.18Å; F58-P65 WeakPolarHBondContact O-CA 3.46Å; F58-P65 WeakPolarHBondContact O-CB 3.25Å; F58-P65 WeakPolarHBondContact O-CG 3.22Å; P65-K67 PolarHBondContact O-N 3.17Å; P65-F68 HydrophobicContact CB-CD2 3.85Å; P65-F68 HydrophobicContact CG-CD2 3.41Å; P65-F68 VanDerWaalsContact CG-CD2 3.41Å; P65-F68 HydrophobicContact CG-CE2 3.68Å; P65-F68 WeakPolarHBondContact O-CB 3.49Å; P65-F68 PolarHBondContact O-N 3.35Å | ||
| 66 | K | 52.4 | Low | 48.6 | Very low | 79 Ų | 79 | 66.3 Ų | 66.3 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 3 | 178.5 | -54.3 | -179.6 | 168.9 | 172.4 | 0 | 114.6 | P64 R69 G70 T71 H72 I73 | P64-K66 PolarHBondContact O-N 3.06Å; K66-R69 CarbonylContact C-O 3.52Å; K66-R69 WeakPolarHBondContact CA-O 3.46Å; K66-R69 CarbonylContact O-C 3.57Å; K66-G70 VanDerWaalsContact O-CA 3.24Å; K66-G70 WeakPolarHBondContact O-CA 3.5Å; K66-T71 WeakPolarHBondContact CA-O 3.22Å; K66-T71 WeakPolarHBondContact CB-O 3.42Å; K66-T71 WeakPolarHBondContact CG-O 3.42Å; K66-T71 PolarHBondContact O-N 2.92Å; K66-H72 HydrophobicContact CD-CB 4.14Å; K66-H72 VanDerWaalsContact CD-CD2 3.48Å; K66-H72 WeakPolarHBondContact CD-CD2 3.24Å; K66-H72 PolarHBondContact NZ-CD2 2.85Å; K66-H72 VanDerWaalsContact NZ-CD2 3.31Å; K66-H72 PolarHBondContact NZ-CE1 3.36Å; K66-H72 PolarHBondContact NZ-ND1 3.23Å; K66-H72 PolarHBondContact NZ-NE2 3.39Å; K66-I73 PolarHBondContact NZ-O 3.16Å |
| 67 | K | 51.9 | Low | 46.7 | Very low | 40 Ų | 40 | 73 Ų | 73 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -0.6 | -177.4 | -57.9 | -174 | 178.6 | 179.9 | 0 | 114.1 | P65 R69 A81 R84 | P65-K67 PolarHBondContact O-N 3.17Å; K67-R69 VanDerWaalsContact C-N 3.3Å; K67-R69 PolarHBondContact N-O 2.83Å; K67-A81 PolarHBondContact NZ-O 3.48Å; K67-R84 HydrophobicContact CD-CB 4.01Å; K67-R84 WeakPolarHBondContact CD-O 3.45Å |
| 68 | F | 48.8 | Very low | 44.9 | Very low | 14 Ų | 14 | 78.1 Ų | 78.1 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -42.7 | 151 | -98.2 | -102.1 | 0 | 0 | 0 | 109.7 | S29 F41 P64 P65 C88 L89 | S29-F68 WeakPolarHBondContact OG-CE1 3.33Å; S29-F68 WeakPolarHBondContact OG-CZ 3.27Å; F41-F68 HydrophobicContact CB-CE2 3.93Å; F41-F68 HydrophobicContact CB-CZ 4.36Å; F41-F68 HydrophobicContact CD1-CE1 4.23Å; F41-F68 AromaticContact CD1-CE2 3.44Å; F41-F68 HydrophobicContact CD1-CE2 3.44Å; F41-F68 VanDerWaalsContact CD1-CE2 3.44Å; F41-F68 AromaticContact CD1-CZ 3.16Å; F41-F68 HydrophobicContact CD1-CZ 3.16Å; F41-F68 AromaticContact CD2-CE2 3.91Å; F41-F68 HydrophobicContact CD2-CE2 3.91Å; F41-F68 HydrophobicContact CD2-CZ 4.41Å; F41-F68 AromaticContact CE1-CE1 3.96Å; F41-F68 HydrophobicContact CE1-CE1 3.96Å; F41-F68 AromaticContact CE1-CE2 3.78Å; F41-F68 HydrophobicContact CE1-CE2 3.78Å; F41-F68 AromaticContact CE1-CZ 3.3Å; F41-F68 HydrophobicContact CE1-CZ 3.3Å; F41-F68 HydrophobicContact CE2-CE2 4.26Å; F41-F68 AromaticContact CG-CE2 3.46Å; F41-F68 HydrophobicContact CG-CE2 3.46Å; F41-F68 VanDerWaalsContact CG-CE2 3.46Å; F41-F68 AromaticContact CG-CZ 3.74Å; F41-F68 HydrophobicContact CG-CZ 3.74Å; F41-F68 HydrophobicContact CZ-CE2 4.17Å; F41-F68 HydrophobicContact CZ-CZ 4.03Å; P64-F68 HydrophobicContact CB-CB 3.79Å; P64-F68 HydrophobicContact CB-CD1 4.24Å; P64-F68 HydrophobicContact CB-CD2 4.28Å; P64-F68 HydrophobicContact CB-CG 3.85Å; P64-F68 HydrophobicContact CG-CB 4.27Å; P65-F68 HydrophobicContact CB-CD2 3.85Å; P65-F68 HydrophobicContact CG-CD2 3.41Å; P65-F68 VanDerWaalsContact CG-CD2 3.41Å; P65-F68 HydrophobicContact CG-CE2 3.68Å; P65-F68 WeakPolarHBondContact O-CB 3.49Å; P65-F68 PolarHBondContact O-N 3.35Å; F68-C88 HydrophobicContact CD2-CB 4.11Å; F68-C88 HydrophobicContact CE2-CB 3.27Å; F68-C88 HydrophobicContact CZ-CB 3.57Å; F68-L89 HydrophobicContact CE1-CD2 4.25Å |
| 69 | R | 43.7 | Very low | 43.3 | Very low | 39 Ų | 39 | 82.6 Ų | 82.6 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -139.1 | 134.5 | 171.3 | -67.7 | -167.4 | 175.6 | 176.2 | 0.4 | 107.8 | K66 K67 T71 H330 E332 P333 K335 | K66-R69 CarbonylContact C-O 3.52Å; K66-R69 WeakPolarHBondContact CA-O 3.46Å; K66-R69 CarbonylContact O-C 3.57Å; K67-R69 VanDerWaalsContact C-N 3.3Å; K67-R69 PolarHBondContact N-O 2.83Å; R69-T71 VanDerWaalsContact C-N 3.32Å; R69-T71 PolarHBondContact O-N 3.35Å; R69-H330 PolarHBondContact NH1-O 3.42Å; R69-H330 VanDerWaalsContact NH1-O 3.14Å; R69-H330 PolarHBondContact NH2-O 3.13Å; R69-E332 PolarHBondContact NH1-O 3.39Å; R69-E332 PolarHBondContact NH2-O 3.24Å; R69-P333 WeakPolarHBondContact CD-O 3.44Å; R69-P333 WeakPolarHBondContact CG-O 3.2Å; R69-P333 VanDerWaalsContact CZ-CA 3.43Å; R69-P333 PolarHBondContact NE-O 2.89Å; R69-K335 VanDerWaalsContact CZ-O 3.27Å; R69-K335 PolarHBondContact NE-O 3.25Å; R69-K335 VanDerWaalsContact NE-O 3.14Å; R69-K335 PolarHBondContact NH2-O 3.21Å |
| 70 | G | 35.9 | Very low | 41.8 | Very low | 9 Ų | 9 | 87 Ų | 87 | 9% | 0.093 | 45% | 0.445 | C | S | . | . | trans | -71.2 | 66.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K66 E327 Y355 | K66-G70 VanDerWaalsContact O-CA 3.24Å; K66-G70 WeakPolarHBondContact O-CA 3.5Å; G70-E327 PolarHBondContact N-OE1 3.03Å; G70-E327 VanDerWaalsContact N-OE1 3.12Å; G70-Y355 VanDerWaalsContact C-OH 3.24Å; G70-Y355 WeakPolarHBondContact CA-OH 3.28Å; G70-Y355 WeakPolarHBondContact O-CE2 3.33Å; G70-Y355 VanDerWaalsContact O-CZ 3.23Å; G70-Y355 PolarHBondContact O-OH 2.97Å | ||
| 71 | T | 27.9 | Very low | 40.1 | Very low | 24 Ų | 24 | 86.5 Ų | 86.5 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | trans | -131.1 | 129.7 | -178 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | K66 R69 P397 | K66-T71 WeakPolarHBondContact CA-O 3.22Å; K66-T71 WeakPolarHBondContact CB-O 3.42Å; K66-T71 WeakPolarHBondContact CG-O 3.42Å; K66-T71 PolarHBondContact O-N 2.92Å; R69-T71 VanDerWaalsContact C-N 3.32Å; R69-T71 PolarHBondContact O-N 3.35Å; T71-P397 VanDerWaalsContact CG2-CA 3.45Å; T71-P397 HydrophobicContact CG2-CB 3.79Å; T71-P397 HydrophobicContact CG2-CG 4.28Å | ||
| 72 | H | 30.9 | Very low | 38.7 | Very low | 99 Ų | 99 | 87.1 Ų | 87.1 | 46% | 0.458 | 45% | 0.452 | S | S | . | . | trans | -118.3 | 123.2 | -168 | -165.4 | -75.4 | 0 | 0 | 0 | 114.9 | K66 T395 | K66-H72 HydrophobicContact CD-CB 4.14Å; K66-H72 VanDerWaalsContact CD-CD2 3.48Å; K66-H72 WeakPolarHBondContact CD-CD2 3.24Å; K66-H72 PolarHBondContact NZ-CD2 2.85Å; K66-H72 VanDerWaalsContact NZ-CD2 3.31Å; K66-H72 PolarHBondContact NZ-CE1 3.36Å; K66-H72 PolarHBondContact NZ-ND1 3.23Å; K66-H72 PolarHBondContact NZ-NE2 3.39Å; H72-T395 WeakPolarHBondContact O-CA 3.4Å | ||
| 73 | I | 26.4 | Very low | 37.5 | Very low | 98 Ų | 98 | 79.3 Ų | 79.3 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | trans | -92.1 | 126.3 | 163.1 | -72.6 | 171 | 0 | 0 | 0 | 111.5 | K66 | K66-I73 PolarHBondContact NZ-O 3.16Š| ||
| 74 | T | 24.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 78.5 Ų | 78.5 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | trans | 33.7 | 140.1 | 155.4 | 56.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 75 | L | 25.5 | Very low | 36.4 | Very low | 144 Ų | 144 | 78.8 Ų | 78.8 | 75% | 0.754 | 41% | 0.405 | S | S | * | . | trans | 86.7 | 109.9 | 148.4 | -69.6 | 153.3 | 0 | 0 | 0 | 120.6 | ||||
| 76 | L | 26 | Very low | 36.5 | Very low | 156 Ų | 156 | 81.9 Ų | 81.9 | 82% | 0.817 | 42% | 0.416 | S | S | * | . | trans | 45.8 | 82.3 | 136.1 | -62.8 | 166.5 | 0 | 0 | 0 | 118.9 | ||||
| 77 | Q | 25.1 | Very low | 37.3 | Very low | 190 Ų | 190 | 78.5 Ų | 78.5 | 89% | 0.888 | 40% | 0.401 | S | S | * | . | trans | 179.6 | 136.1 | 135.3 | -102.7 | 165.6 | -7.9 | 0 | 0 | 111.5 | ||||
| 78 | F | 27 | Very low | 38.6 | Very low | 181 Ų | 181 | 77.4 Ų | 77.4 | 79% | 0.794 | 40% | 0.399 | S | S | * | . | trans | -22.5 | 134.9 | 178 | -65.2 | -93.3 | 0 | 0 | 0 | 120 | V80 | F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 VanDerWaalsContact O-CG2 3.3Å; F78-V80 WeakPolarHBondContact O-CG2 3.44Å; F78-V80 PolarHBondContact O-N 2.78Å | ||
| 79 | D | 28.7 | Very low | 40.2 | Very low | 160 Ų | 160 | 77 Ų | 77 | 86% | 0.856 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 35.1 | 8.8 | 145.7 | -74.2 | -25.2 | 0 | 0 | 0 | 123.9 | A81 | D79-A81 PolarHBondContact O-N 3.49Š|
| 80 | V | 30.9 | Very low | 42.2 | Very low | 115 Ų | 115 | 75.1 Ų | 75.1 | 70% | 0.697 | 39% | 0.39 | S | S | * | . | trans | -84.1 | -12.7 | -166.7 | 170 | 0 | 0 | 0 | 0 | 115.7 | F78 K505 | F78-V80 VanDerWaalsContact C-N 3.3Å; F78-V80 VanDerWaalsContact O-CG2 3.3Å; F78-V80 WeakPolarHBondContact O-CG2 3.44Å; F78-V80 PolarHBondContact O-N 2.78Å; V80-K505 PolarHBondContact O-NZ 3.33Å | ||
| 81 | A | 30.6 | Very low | 44.7 | Very low | 54 Ų | 54 | 76.3 Ų | 76.3 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | trans | -100.7 | 9.6 | -154.4 | 0 | 0 | 0 | 0 | 0 | 120 | K67 D79 G83 | K67-A81 PolarHBondContact NZ-O 3.48Å; D79-A81 PolarHBondContact O-N 3.49Å; A81-G83 PolarHBondContact O-N 2.99Å | ||
| 82 | V | 35.4 | Very low | 47.6 | Very low | 39 Ų | 39 | 75.3 Ų | 75.3 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.7 | -170.8 | -179.8 | 0 | 0 | 0 | 0 | 117.5 | A351 | V82-A351 WeakPolarHBondContact CG1-O 3.36Š|
| 83 | G | 38.8 | Very low | 50.4 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | A81 K162 | A81-G83 PolarHBondContact O-N 2.99Å; G83-K162 PolarHBondContact O-NZ 3.21Å |
| 84 | R | 44.6 | Very low | 53.3 | Low | 84 Ų | 84 | 66.7 Ų | 66.7 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | trans | -114.6 | 38.7 | -164.3 | -59.1 | -175.6 | -170.6 | 163 | 3.4 | 115.5 | R55 K67 | R55-R84 VanDerWaalsContact CZ-NH1 3.29Å; R55-R84 VanDerWaalsContact NH2-NH1 3.1Å; K67-R84 HydrophobicContact CD-CB 4.01Å; K67-R84 WeakPolarHBondContact CD-O 3.45Å | ||
| 85 | R | 52.4 | Low | 56.1 | Low | 18 Ų | 18 | 64.1 Ų | 64.1 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 144.2 | -178.4 | -59.6 | -171.4 | -170.8 | 170.5 | 18.7 | 111.6 | N87 K162 E325 H349 L350 D353 | R85-N87 PolarHBondContact O-N 3.05Å; R85-K162 WeakPolarHBondContact O-CD 3.39Å; R85-K162 WeakPolarHBondContact O-CE 3.48Å; R85-E325 VanDerWaalsContact CD-OE2 3.31Å; R85-E325 WeakPolarHBondContact CD-OE2 3.44Å; R85-E325 IonicContact CZ-OE2 2.94Å; R85-E325 IonicContact NE-OE2 2.97Å; R85-E325 IonicContact NH1-OE2 3.91Å; R85-E325 PolarHBondContact NH1-OE2 3.18Å; R85-H349 PolarHBondContact NH2-O 2.97Å; R85-L350 VanDerWaalsContact NH1-CD1 3.26Å; R85-L350 PolarHBondContact NH2-O 3.16Å; R85-D353 IonicContact CZ-OD1 3.28Å; R85-D353 IonicContact NE-OD1 3.68Å; R85-D353 PolarHBondContact NE-OD1 3.2Å; R85-D353 VanDerWaalsContact NH2-CA 3.31Å; R85-D353 IonicContact NH2-OD1 2.91Å; R85-D353 PolarHBondContact NH2-OD1 3.38Å |
| 86 | R | 59.7 | Low | 59 | Low | 70 Ų | 70 | 59.5 Ų | 59.5 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 15.1 | 179.6 | -57.4 | 179.1 | 172.1 | -150.6 | 1.8 | 116.4 | C88 L89 K162 G279 E325 | R86-C88 PolarHBondContact O-N 3.29Å; R86-L89 HydrophobicContact CB-CD1 4.01Å; R86-L89 HydrophobicContact CB-CG 4.46Å; R86-L89 HydrophobicContact CG-CD1 3.99Å; R86-L89 PolarHBondContact O-N 3.19Å; R86-K162 HydrophobicContact CB-CB 4.49Å; R86-G279 PolarHBondContact NH2-O 2.76Å; R86-E325 IonicContact NE-OE1 2.62Å |
| 87 | N | 68.6 | Low | 61.8 | Low | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -6.4 | -175.6 | -119.4 | 28.1 | 0 | 0 | 0 | 114.1 | S43 T44 R85 H160 K162 | S43-N87 VanDerWaalsContact CA-O 3.25Å; S43-N87 WeakPolarHBondContact CA-O 3.45Å; T44-N87 VanDerWaalsContact C-ND2 3.33Å; T44-N87 PolarHBondContact O-ND2 2.93Å; T44-N87 PolarHBondContact OG1-ND2 3.23Å; T44-N87 PolarHBondContact OG1-OD1 3.42Å; R85-N87 PolarHBondContact O-N 3.05Å; N87-H160 VanDerWaalsContact C-NE2 3.32Å; N87-H160 WeakPolarHBondContact CA-NE2 3.42Å; N87-H160 PolarHBondContact O-NE2 3.48Å; N87-H160 PolarHBondContact OD1-CE1 3.01Å; N87-K162 WeakPolarHBondContact OD1-CD 3.35Å |
| 88 | C | 78.5 | Confident | 64.6 | Low | 17 Ų | 17 | 50 Ų | 50 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 4.2 | -177.6 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | S29 F41 L42 F68 R86 F90 | S29-C88 WeakPolarHBondContact CB-O 3.31Å; F41-C88 HydrophobicContact CB-CB 4.33Å; L42-C88 WeakPolarHBondContact O-CA 3.45Å; L42-C88 WeakPolarHBondContact O-CB 3.21Å; F68-C88 HydrophobicContact CD2-CB 4.11Å; F68-C88 HydrophobicContact CE2-CB 3.27Å; F68-C88 HydrophobicContact CZ-CB 3.57Å; R86-C88 PolarHBondContact O-N 3.29Å; C88-F90 WeakPolarHBondContact O-CD2 3.49Å |
| 89 | L | 83 | Confident | 67.3 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -99.6 | 128.5 | -175.5 | -61.1 | -178.5 | 0 | 0 | 0 | 110.6 | I27 F68 R86 H160 V161 F265 | I27-L89 HydrophobicContact CG2-CB 4.04Å; I27-L89 HydrophobicContact CG2-CD2 4.4Å; F68-L89 HydrophobicContact CE1-CD2 4.25Å; R86-L89 HydrophobicContact CB-CD1 4.01Å; R86-L89 HydrophobicContact CB-CG 4.46Å; R86-L89 HydrophobicContact CG-CD1 3.99Å; R86-L89 PolarHBondContact O-N 3.19Å; L89-H160 PolarHBondContact O-CD2 3.29Å; L89-V161 HydrophobicContact CB-CB 4.17Å; L89-V161 HydrophobicContact CB-CG2 4.06Å; L89-V161 WeakPolarHBondContact O-CG2 3.44Å; L89-V161 PolarHBondContact O-N 3.08Å; L89-F265 HydrophobicContact CD1-CD1 3.95Å; L89-F265 HydrophobicContact CD1-CD2 4.39Å; L89-F265 HydrophobicContact CD1-CE1 3.79Å; L89-F265 HydrophobicContact CD1-CE2 4.26Å; L89-F265 HydrophobicContact CD1-CG 4.26Å; L89-F265 HydrophobicContact CD1-CZ 3.96Å; L89-F265 HydrophobicContact CD2-CB 3.83Å; L89-F265 HydrophobicContact CD2-CD1 4.07Å; L89-F265 HydrophobicContact CD2-CD2 3.74Å; L89-F265 HydrophobicContact CD2-CE2 4.32Å; L89-F265 HydrophobicContact CD2-CG 3.6Å | ||
| 90 | F | 86.2 | Confident | 69.9 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.7 | -180 | -64.4 | -93.8 | 0 | 0 | 0 | 109.4 | V28 L42 C88 L158 L159 H160 | V28-F90 WeakPolarHBondContact CG2-O 3.48Å; V28-F90 PolarHBondContact N-O 2.88Å; V28-F90 PolarHBondContact O-N 3.02Å; L42-F90 HydrophobicContact CB-CE2 4.17Å; L42-F90 HydrophobicContact CD2-CD2 4.3Å; L42-F90 HydrophobicContact CD2-CE1 4.21Å; L42-F90 HydrophobicContact CD2-CE2 3.64Å; L42-F90 HydrophobicContact CD2-CZ 3.59Å; L42-F90 HydrophobicContact CG-CE2 3.73Å; L42-F90 HydrophobicContact CG-CZ 3.73Å; C88-F90 WeakPolarHBondContact O-CD2 3.49Å; F90-L158 HydrophobicContact CB-CB 4.44Å; F90-L158 HydrophobicContact CB-CD2 4.44Å; F90-L158 HydrophobicContact CD1-CB 4.19Å; F90-L159 CarbonylContact C-O 3.57Å; F90-L159 VanDerWaalsContact CA-O 3.3Å; F90-L159 WeakPolarHBondContact CA-O 3.26Å; F90-H160 HydrophobicContact CD1-CB 4Å; F90-H160 HydrophobicContact CE1-CB 3.73Å; F90-H160 AromaticContact CE1-CD2 3.81Å; F90-H160 AromaticContact CZ-CD2 3.77Å |
| 91 | Q | 87.1 | Confident | 72.2 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 132 | 171.8 | -177.6 | 171.2 | 27 | 0 | 0 | 109.2 | C93 L159 V161 | Q91-C93 PolarHBondContact O-N 3.31Å; Q91-L159 HydrophobicContact CB-CB 4.31Å; Q91-L159 PolarHBondContact N-O 3.41Å; Q91-L159 PolarHBondContact O-N 3.04Å; Q91-V161 HydrophobicContact CB-CG2 4.23Å |
| 92 | I | 89.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 117.6 | 174.8 | -59.6 | 177.1 | 0 | 0 | 0 | 108.3 | L22 G25 D26 V28 V150 I156 L158 | L22-I92 HydrophobicContact CD1-CD1 3.6Å; L22-I92 HydrophobicContact CD2-CD1 3.56Å; L22-I92 HydrophobicContact CG-CD1 3.59Å; G25-I92 WeakPolarHBondContact CA-O 3.24Å; G25-I92 PolarHBondContact N-O 2.96Å; D26-I92 PolarHBondContact O-N 3.33Å; V28-I92 HydrophobicContact CG1-CD1 3.89Å; V28-I92 HydrophobicContact CG1-CG1 4.46Å; V28-I92 HydrophobicContact CG2-CD1 4.06Å; V28-I92 HydrophobicContact CG2-CG1 3.93Å; I92-V150 HydrophobicContact CG2-CG2 4.27Å; I92-I156 HydrophobicContact CG2-CB 4.33Å; I92-I156 HydrophobicContact CG2-CD1 4.29Å; I92-I156 HydrophobicContact CG2-CG2 4.23Å; I92-L158 HydrophobicContact CG1-CD2 4.38Å |
| 93 | C | 89.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.8 | 178.4 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | Q91 Q157 F166 | Q91-C93 PolarHBondContact O-N 3.31Å; C93-Q157 HydrophobicContact CB-CB 4.21Å; C93-Q157 PolarHBondContact N-O 2.95Å; C93-Q157 PolarHBondContact O-N 3.11Å; C93-F166 HydrophobicContact CB-CE1 4.3Å |
| 94 | P | 88.1 | Confident | 78.5 | Confident | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 167.6 | 167.9 | 35.1 | -38.3 | 0 | 0 | 0 | 110 | I24 R96 F142 T145 Q157 | I24-P94 HydrophobicContact CD1-CB 4.42Å; I24-P94 HydrophobicContact CG2-CG 4.49Å; P94-R96 PolarHBondContact O-N 3.47Å; P94-F142 HydrophobicContact CG-CB 4.23Å; P94-F142 HydrophobicContact CG-CD2 3.99Å; P94-T145 WeakPolarHBondContact CG-OG1 3.37Å; P94-Q157 PolarHBondContact O-OE1 3.17Å; P94-Q157 VanDerWaalsContact O-OE1 3.04Å |
| 95 | V | 83.9 | Confident | 79.8 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 122.4 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | T155 W195 | V95-T155 HydrophobicContact CG2-CG2 3.66Å; V95-T155 VanDerWaalsContact CG2-O 3.25Å; V95-T155 WeakPolarHBondContact CG2-O 3.37Å; V95-W195 HydrophobicContact CG1-CD2 3.9Å; V95-W195 VanDerWaalsContact CG1-CE2 3.44Å; V95-W195 HydrophobicContact CG1-CG 3.98Å; V95-W195 HydrophobicContact CG1-CZ2 3.94Å |
| 96 | R | 86.3 | Confident | 80.8 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 146.3 | 168 | -69.7 | -178.2 | 175.8 | -169.6 | -0.8 | 112.1 | P94 Y98 N138 Q157 W195 | P94-R96 PolarHBondContact O-N 3.47Å; R96-Y98 HydrophobicContact CB-CE1 4.03Å; R96-Y98 HydrophobicContact CB-CE2 3.98Å; R96-Y98 VanDerWaalsContact O-CD2 3.3Å; R96-Y98 WeakPolarHBondContact O-CD2 3.39Å; R96-Y98 WeakPolarHBondContact O-CE2 3.41Å; R96-N138 WeakPolarHBondContact CA-OD1 3.3Å; R96-N138 HydrophobicContact CB-CB 4.43Å; R96-N138 HydrophobicContact CG-CB 3.99Å; R96-Q157 VanDerWaalsContact CG-OE1 3.29Å; R96-W195 PolarHBondContact O-NE1 3.46Å |
| 97 | R | 85.4 | Confident | 81.4 | Confident | 131 Ų | 131 | 40.4 Ų | 40.4 | 49% | 0.494 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -83.7 | 137.9 | 169.8 | -58.7 | 176.2 | -167.9 | 179.3 | -0.1 | 109.3 | E134 N138 E141 | R97-E134 HydrophobicContact CB-CG 4.06Å; R97-E134 WeakPolarHBondContact O-CG 3.5Å; R97-N138 PolarHBondContact N-OD1 2.96Å; R97-N138 PolarHBondContact O-ND2 3.03Å; R97-E141 IonicContact NE-OE2 3.32Å; R97-E141 IonicContact NH2-OE2 3.81Å |
| 98 | Y | 83.8 | Confident | 81.4 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | trans | -131.2 | 15.5 | -173 | -63.5 | -66.4 | 0 | 0 | 0 | 113.1 | R96 K102 E134 Q157 Q189 G190 S191 W195 | R96-Y98 HydrophobicContact CB-CE1 4.03Å; R96-Y98 HydrophobicContact CB-CE2 3.98Å; R96-Y98 VanDerWaalsContact O-CD2 3.3Å; R96-Y98 WeakPolarHBondContact O-CD2 3.39Å; R96-Y98 WeakPolarHBondContact O-CE2 3.41Å; Y98-K102 WeakPolarHBondContact O-CB 3.36Å; Y98-K102 PolarHBondContact O-N 3.41Å; Y98-K102 VanDerWaalsContact O-N 3.11Å; Y98-E134 WeakPolarHBondContact CA-OE1 3.36Å; Y98-Q157 PolarHBondContact OH-NE2 2.61Å; Y98-Q189 VanDerWaalsContact CE1-O 3.26Å; Y98-Q189 WeakPolarHBondContact CE1-O 3.41Å; Y98-Q189 PolarHBondContact OH-O 3.4Å; Y98-G190 WeakPolarHBondContact CE1-O 3.38Å; Y98-S191 WeakPolarHBondContact CE2-O 3.41Å; Y98-W195 HydrophobicContact CD2-CZ2 4.2Å; Y98-W195 AromaticContact CD2-NE1 3.76Å; Y98-W195 AromaticContact CE2-NE1 3.47Å | ||
| 99 | A | 82.6 | Confident | 80.7 | Confident | 73 Ų | 73 | 50.3 Ų | 50.3 | 60% | 0.603 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70 | -48.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q103 E134 | A99-Q103 PolarHBondContact O-N 3.32Å; A99-E134 PolarHBondContact N-OE1 2.83Å; A99-E134 PolarHBondContact N-OE2 2.94Å |
| 100 | A | 82.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.7 | -43.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K102 Q103 L104 A130 A131 E134 | A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 3.4Å; A100-Q103 PolarHBondContact O-N 2.84Å; A100-L104 PolarHBondContact O-N 2.97Å; A100-A130 HydrophobicContact CB-CB 4.12Å; A100-A131 HydrophobicContact CB-CB 4.22Å; A100-E134 HydrophobicContact CB-CB 4.37Å; A100-E134 PolarHBondContact N-OE1 3.24Å; A100-E134 PolarHBondContact N-OE2 3.27Å; A100-E134 VanDerWaalsContact N-OE2 3.11Å |
| 101 | Q | 79 | Confident | 78.5 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 178 | -71.8 | 177.4 | 2.1 | 0 | 0 | 112.6 | L104 W105 A131 E134 | Q101-L104 PolarHBondContact O-N 3.02Å; Q101-W105 WeakPolarHBondContact O-CB 3.44Å; Q101-W105 PolarHBondContact O-N 3.49Å; Q101-A131 HydrophobicContact CG-CB 3.97Å; Q101-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q101-E134 PolarHBondContact N-OE1 3.45Å; Q101-E134 VanDerWaalsContact N-OE1 3.15Å |
| 102 | K | 79.4 | Confident | 76.6 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 179.6 | -172.8 | 172.7 | -175.7 | 168.7 | 0 | 112.9 | Y98 A100 A106 D192 | Y98-K102 WeakPolarHBondContact O-CB 3.36Å; Y98-K102 PolarHBondContact O-N 3.41Å; Y98-K102 VanDerWaalsContact O-N 3.11Å; A100-K102 VanDerWaalsContact C-N 3.31Å; A100-K102 PolarHBondContact O-N 3.4Å; K102-A106 WeakPolarHBondContact O-CB 3.36Å; K102-A106 PolarHBondContact O-N 2.96Å; K102-D192 IonicContact NZ-OD1 3.8Å; K102-D192 PolarHBondContact NZ-OD1 3.28Å; K102-D192 IonicContact NZ-OD2 2.77Å |
| 103 | Q | 80.2 | Confident | 74.9 | Confident | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68 | -44.5 | 174.5 | -80 | -175.7 | -10.3 | 0 | 0 | 111.3 | A99 A100 W105 A106 E107 L127 | A99-Q103 PolarHBondContact O-N 3.32Å; A100-Q103 PolarHBondContact O-N 2.84Å; Q103-W105 VanDerWaalsContact C-N 3.34Å; Q103-W105 PolarHBondContact O-N 3.11Å; Q103-A106 PolarHBondContact O-N 3.25Å; Q103-E107 PolarHBondContact O-N 2.91Å; Q103-L127 HydrophobicContact CB-CD1 3.84Å; Q103-L127 HydrophobicContact CB-CD2 4.01Å; Q103-L127 HydrophobicContact CB-CG 4.44Å |
| 104 | L | 79.1 | Confident | 73 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.7 | -51.1 | 176.2 | -172.5 | 91.4 | 0 | 0 | 0 | 110.8 | A100 Q101 A106 E107 E108 L127 K128 | A100-L104 PolarHBondContact O-N 2.97Å; Q101-L104 PolarHBondContact O-N 3.02Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.28Å; L104-E107 PolarHBondContact O-N 3.18Å; L104-E108 WeakPolarHBondContact O-CG 3.46Å; L104-E108 PolarHBondContact O-N 3.5Å; L104-L127 HydrophobicContact CB-CD2 4.3Å; L104-L127 HydrophobicContact CB-CG 4.2Å; L104-L127 HydrophobicContact CD1-CB 4.37Å; L104-L127 HydrophobicContact CD1-CD2 4.43Å; L104-L127 HydrophobicContact CD1-CG 4.12Å; L104-K128 HydrophobicContact CD1-CB 3.79Å; L104-K128 HydrophobicContact CD1-CG 4.42Å |
| 105 | W | 70 | Confident | 71.1 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -32 | 178.9 | -81.2 | -13.4 | 0 | 0 | 0 | 114.3 | Q101 Q103 R109 Q189 | Q101-W105 WeakPolarHBondContact O-CB 3.44Å; Q101-W105 PolarHBondContact O-N 3.49Å; Q103-W105 VanDerWaalsContact C-N 3.34Å; Q103-W105 PolarHBondContact O-N 3.11Å; W105-R109 WeakPolarHBondContact O-CG 3.29Å; W105-R109 PolarHBondContact O-N 3.04Å; W105-R109 VanDerWaalsContact O-N 3.15Å; W105-Q189 HydrophobicContact CH2-CB 3.49Å; W105-Q189 VanDerWaalsContact CH2-CB 3.49Å; W105-Q189 HydrophobicContact CH2-CG 3.49Å; W105-Q189 VanDerWaalsContact CH2-CG 3.49Å; W105-Q189 HydrophobicContact CZ2-CB 4.07Å; W105-Q189 HydrophobicContact CZ2-CG 3.52Å; W105-Q189 HydrophobicContact CZ3-CB 4.15Å |
| 106 | A | 73.4 | Confident | 69.5 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K102 Q103 L104 R109 T110 | K102-A106 WeakPolarHBondContact O-CB 3.36Å; K102-A106 PolarHBondContact O-N 2.96Å; Q103-A106 PolarHBondContact O-N 3.25Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 3.28Å; A106-R109 PolarHBondContact O-N 3.47Å; A106-T110 PolarHBondContact O-N 3.42Å; A106-T110 PolarHBondContact O-OG1 2.74Å |
| 107 | E | 74 | Confident | 67.9 | Low | 31 Ų | 31 | 78.7 Ų | 78.7 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 178.5 | -73.6 | -62.4 | 170.4 | 0 | 0 | 113.5 | Q103 L104 R109 T110 K111 M119 L124 | Q103-E107 PolarHBondContact O-N 2.91Å; L104-E107 PolarHBondContact O-N 3.18Å; E107-R109 VanDerWaalsContact C-N 3.25Å; E107-R109 PolarHBondContact O-N 3.41Å; E107-T110 VanDerWaalsContact CA-OG1 3.27Å; E107-T110 WeakPolarHBondContact CA-OG1 3.32Å; E107-T110 PolarHBondContact O-N 3.47Å; E107-T110 PolarHBondContact O-OG1 3.19Å; E107-T110 PolarHBondContact OE2-OG1 3.19Å; E107-K111 PolarHBondContact O-N 2.81Å; E107-M119 HydrophobicContact CG-CG 4.23Å; E107-L124 HydrophobicContact CB-CD2 4.05Å |
| 108 | E | 68.1 | Low | 66.8 | Low | 78 Ų | 78 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 173 | -74.8 | -179.2 | 164.2 | 0 | 0 | 111.6 | L104 Q112 | L104-E108 WeakPolarHBondContact O-CG 3.46Å; L104-E108 PolarHBondContact O-N 3.5Å; E108-Q112 PolarHBondContact O-N 2.88Å |
| 109 | R | 63 | Low | 66.1 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.2 | -41.9 | 173.6 | -74.6 | -174 | -145.6 | -167.5 | 4 | 113 | W105 A106 E107 K111 Q112 Y113 | W105-R109 WeakPolarHBondContact O-CG 3.29Å; W105-R109 PolarHBondContact O-N 3.04Å; W105-R109 VanDerWaalsContact O-N 3.15Å; A106-R109 PolarHBondContact O-N 3.47Å; E107-R109 VanDerWaalsContact C-N 3.25Å; E107-R109 PolarHBondContact O-N 3.41Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 3.19Å; R109-Q112 WeakPolarHBondContact O-CB 3.48Å; R109-Q112 PolarHBondContact O-N 2.81Å; R109-Y113 WeakPolarHBondContact O-CD2 3.47Å; R109-Y113 PolarHBondContact O-N 3.27Å; R109-Y113 VanDerWaalsContact O-N 3.16Å |
| 110 | T | 65.7 | Low | 65.6 | Low | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.5 | 6.7 | 0 | 0 | 0 | 0 | 111.3 | A106 E107 Q112 Y113 G115 | A106-T110 PolarHBondContact O-N 3.42Å; A106-T110 PolarHBondContact O-OG1 2.74Å; E107-T110 VanDerWaalsContact CA-OG1 3.27Å; E107-T110 WeakPolarHBondContact CA-OG1 3.32Å; E107-T110 PolarHBondContact O-N 3.47Å; E107-T110 PolarHBondContact O-OG1 3.19Å; E107-T110 PolarHBondContact OE2-OG1 3.19Å; T110-Q112 PolarHBondContact O-N 2.94Å; T110-Y113 PolarHBondContact O-N 2.79Å; T110-G115 WeakPolarHBondContact O-CA 3.43Å; T110-G115 PolarHBondContact O-N 3.26Å |
| 111 | K | 58.4 | Low | 65 | Low | 121 Ų | 121 | 83.1 Ų | 83.1 | 53% | 0.526 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.3 | -34.7 | 172.7 | -82 | -172.3 | 171.4 | -175.7 | 0 | 112.9 | E107 R109 L124 | E107-K111 PolarHBondContact O-N 2.81Å; R109-K111 VanDerWaalsContact C-N 3.31Å; R109-K111 PolarHBondContact O-N 3.19Å; K111-L124 VanDerWaalsContact CE-CD1 3.48Å |
| 112 | Q | 47.3 | Very low | 64.8 | Low | 93 Ų | 93 | 86.2 Ų | 86.2 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.9 | -39.3 | -176.9 | -127 | -171 | 3.5 | 0 | 0 | 113.8 | E108 R109 T110 G114 L546 | E108-Q112 PolarHBondContact O-N 2.88Å; R109-Q112 WeakPolarHBondContact O-CB 3.48Å; R109-Q112 PolarHBondContact O-N 2.81Å; T110-Q112 PolarHBondContact O-N 2.94Å; Q112-G114 PolarHBondContact O-N 2.72Å; Q112-L546 VanDerWaalsContact NE2-CB 3.31Å; Q112-L546 PolarHBondContact NE2-O 3.34Å |
| 113 | Y | 53.1 | Low | 64.7 | Low | 199 Ų | 199 | 84.9 Ų | 84.9 | 78% | 0.78 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 12.9 | 178.6 | -71.5 | -77 | 0 | 0 | 0 | 113.3 | R109 T110 G115 | R109-Y113 WeakPolarHBondContact O-CD2 3.47Å; R109-Y113 PolarHBondContact O-N 3.27Å; R109-Y113 VanDerWaalsContact O-N 3.16Å; T110-Y113 PolarHBondContact O-N 2.79Å; Y113-G115 PolarHBondContact O-N 3.24Å |
| 114 | G | 48.8 | Very low | 64.4 | Low | 71 Ų | 71 | 80 Ų | 80 | 73% | 0.732 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 16.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q112 | Q112-G114 PolarHBondContact O-N 2.72Š|
| 115 | G | 48.9 | Very low | 64.4 | Low | 33 Ų | 33 | 83.8 Ų | 83.8 | 34% | 0.34 | 46% | 0.464 | S | S | . | . | trans | -74.9 | 137.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T110 Y113 S117 | T110-G115 WeakPolarHBondContact O-CA 3.43Å; T110-G115 PolarHBondContact O-N 3.26Å; Y113-G115 PolarHBondContact O-N 3.24Å; G115-S117 PolarHBondContact O-N 2.91Å | ||
| 116 | T | 50.7 | Low | 64.9 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 87% | 0.865 | 48% | 0.481 | S | S | * | . | trans | -65.3 | 105.8 | 169.7 | 13.6 | 0 | 0 | 0 | 0 | 109.4 | T118 | T116-T118 PolarHBondContact O-N 3.29Š| ||
| 117 | S | 51.9 | Low | 65.4 | Low | 33 Ų | 33 | 86.6 Ų | 86.6 | 23% | 0.231 | 46% | 0.464 | C | S | . | . | trans | -55.4 | 122.8 | 166.5 | 154.9 | 0 | 0 | 0 | 0 | 108.8 | G115 M119 | G115-S117 PolarHBondContact O-N 2.91Å; S117-M119 PolarHBondContact O-N 3.27Å; S117-M119 PolarHBondContact OG-N 3.08Å; S117-M119 PolarHBondContact OG-O 3.06Å | ||
| 118 | T | 62.4 | Low | 65.7 | Low | 118 Ų | 118 | 90.4 Ų | 90.4 | 72% | 0.724 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -74.1 | -10.6 | 173.3 | 44.4 | 0 | 0 | 0 | 0 | 112.4 | T116 | T116-T118 PolarHBondContact O-N 3.29Š|
| 119 | M | 68.2 | Low | 66.4 | Low | 65 Ų | 65 | 90.7 Ų | 90.7 | 32% | 0.32 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -91.4 | 137 | -178.4 | -60.9 | -68.6 | 98.4 | 0 | 0 | 112.4 | E107 S117 M123 | E107-M119 HydrophobicContact CG-CG 4.23Å; S117-M119 PolarHBondContact O-N 3.27Å; S117-M119 PolarHBondContact OG-N 3.08Å; S117-M119 PolarHBondContact OG-O 3.06Å; M119-M123 HydrophobicContact CB-CB 4.36Å; M119-M123 HydrophobicContact CE-CE 3.68Å; M119-M123 HydrophobicContact CE-SD 4.42Å; M119-M123 HydrophobicContact SD-CB 4.3Å; M119-M123 HydrophobicContact SD-CE 3.59Å; M119-M123 VanDerWaalsContact SD-CE 3.59Å; M119-M123 HydrophobicContact SD-SD 3.75Å |
| 120 | S | 73.7 | Confident | 67.4 | Low | 63 Ų | 63 | 85.3 Ų | 85.3 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | trans | -69 | 158.9 | 169.2 | 71.3 | 0 | 0 | 0 | 0 | 111 | D122 M123 L124 | S120-D122 PolarHBondContact O-N 3.32Å; S120-M123 PolarHBondContact O-N 3.31Å; S120-M123 VanDerWaalsContact O-N 3.13Å; S120-M123 PolarHBondContact OG-N 3.33Å; S120-L124 PolarHBondContact O-N 3.4Å | ||
| 121 | A | 70.4 | Confident | 68.3 | Low | 80 Ų | 80 | 82.8 Ų | 82.8 | 66% | 0.661 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.7 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L124 L125 | A121-L124 WeakPolarHBondContact O-CB 3.27Å; A121-L124 PolarHBondContact O-N 2.78Å; A121-L125 PolarHBondContact O-N 2.85Å; A121-L125 VanDerWaalsContact O-N 3.08Å |
| 122 | D | 74.1 | Confident | 69.3 | Low | 84 Ų | 84 | 80.9 Ų | 80.9 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 176.7 | -162.4 | 47.6 | 0 | 0 | 0 | 112 | S120 L124 L125 R126 | S120-D122 PolarHBondContact O-N 3.32Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.33Å; D122-L125 PolarHBondContact O-N 3.12Å; D122-R126 WeakPolarHBondContact O-CG 3.49Å; D122-R126 PolarHBondContact O-N 3.35Å; D122-R126 IonicContact OD2-CZ 3.17Å; D122-R126 IonicContact OD2-NE 2.77Å; D122-R126 PolarHBondContact OD2-NE 3.22Å; D122-R126 IonicContact OD2-NH2 2.74Å; D122-R126 PolarHBondContact OD2-NH2 2.71Å |
| 123 | M | 77.1 | Confident | 71.1 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 42% | 0.419 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65 | -36.1 | 172.4 | -86.9 | -153.8 | -77.3 | 0 | 0 | 112.5 | M119 S120 R126 L127 | M119-M123 HydrophobicContact CB-CB 4.36Å; M119-M123 HydrophobicContact CE-CE 3.68Å; M119-M123 HydrophobicContact CE-SD 4.42Å; M119-M123 HydrophobicContact SD-CB 4.3Å; M119-M123 HydrophobicContact SD-CE 3.59Å; M119-M123 VanDerWaalsContact SD-CE 3.59Å; M119-M123 HydrophobicContact SD-SD 3.75Å; S120-M123 PolarHBondContact O-N 3.31Å; S120-M123 VanDerWaalsContact O-N 3.13Å; S120-M123 PolarHBondContact OG-N 3.33Å; M123-R126 PolarHBondContact O-N 3.45Å; M123-L127 VanDerWaalsContact O-CB 3.31Å; M123-L127 WeakPolarHBondContact O-CB 3.15Å; M123-L127 PolarHBondContact O-N 3.06Å |
| 124 | L | 74.4 | Confident | 72.6 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.4 | -97.2 | 160.6 | 0 | 0 | 0 | 112.7 | E107 K111 S120 A121 D122 L127 K128 | E107-L124 HydrophobicContact CB-CD2 4.05Å; K111-L124 VanDerWaalsContact CE-CD1 3.48Å; S120-L124 PolarHBondContact O-N 3.4Å; A121-L124 WeakPolarHBondContact O-CB 3.27Å; A121-L124 PolarHBondContact O-N 2.78Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.33Å; L124-L127 PolarHBondContact O-N 2.97Å; L124-K128 PolarHBondContact O-N 2.76Å |
| 125 | L | 78.3 | Confident | 74.3 | Confident | 99 Ų | 99 | 73.6 Ų | 73.6 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -45 | 174.2 | -170.2 | 73.6 | 0 | 0 | 0 | 110.9 | A121 D122 L127 K128 D129 | A121-L125 PolarHBondContact O-N 2.85Å; A121-L125 VanDerWaalsContact O-N 3.08Å; D122-L125 PolarHBondContact O-N 3.12Å; L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 PolarHBondContact O-N 2.88Å; L125-K128 WeakPolarHBondContact O-CB 3.3Å; L125-K128 PolarHBondContact O-N 3.11Å; L125-K128 VanDerWaalsContact O-N 3.17Å; L125-D129 PolarHBondContact O-N 3.27Å |
| 126 | R | 81.6 | Confident | 75.8 | Confident | 164 Ų | 164 | 78.1 Ų | 78.1 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 174.9 | -68.7 | 179.9 | -164.6 | -170.1 | 5.3 | 112.8 | D122 M123 K128 D129 A130 | D122-R126 WeakPolarHBondContact O-CG 3.49Å; D122-R126 PolarHBondContact O-N 3.35Å; D122-R126 IonicContact OD2-CZ 3.17Å; D122-R126 IonicContact OD2-NE 2.77Å; D122-R126 PolarHBondContact OD2-NE 3.22Å; D122-R126 IonicContact OD2-NH2 2.74Å; D122-R126 PolarHBondContact OD2-NH2 2.71Å; M123-R126 PolarHBondContact O-N 3.45Å; R126-K128 VanDerWaalsContact C-N 3.33Å; R126-D129 PolarHBondContact O-N 3.13Å; R126-A130 VanDerWaalsContact O-CB 3.32Å; R126-A130 WeakPolarHBondContact O-CB 3.44Å; R126-A130 PolarHBondContact O-N 3.43Å |
| 127 | L | 82.7 | Confident | 77.5 | Confident | 24 Ų | 24 | 76.5 Ų | 76.5 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.2 | -174.6 | 61.1 | 0 | 0 | 0 | 111.5 | Q103 L104 M123 L124 L125 A130 A131 | Q103-L127 HydrophobicContact CB-CD1 3.84Å; Q103-L127 HydrophobicContact CB-CD2 4.01Å; Q103-L127 HydrophobicContact CB-CG 4.44Å; L104-L127 HydrophobicContact CB-CD2 4.3Å; L104-L127 HydrophobicContact CB-CG 4.2Å; L104-L127 HydrophobicContact CD1-CB 4.37Å; L104-L127 HydrophobicContact CD1-CD2 4.43Å; L104-L127 HydrophobicContact CD1-CG 4.12Å; M123-L127 VanDerWaalsContact O-CB 3.31Å; M123-L127 WeakPolarHBondContact O-CB 3.15Å; M123-L127 PolarHBondContact O-N 3.06Å; L124-L127 PolarHBondContact O-N 2.97Å; L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 PolarHBondContact O-N 2.88Å; L127-A130 PolarHBondContact O-N 2.85Å; L127-A131 WeakPolarHBondContact O-CB 3.49Å; L127-A131 PolarHBondContact O-N 2.89Å |
| 128 | K | 81.1 | Confident | 79.2 | Confident | 111 Ų | 111 | 75.1 Ų | 75.1 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -48.6 | 172.3 | -172.7 | -179.6 | 175 | -177.3 | 0 | 111.9 | L104 L124 L125 R126 A130 A131 D132 | L104-K128 HydrophobicContact CD1-CB 3.79Å; L104-K128 HydrophobicContact CD1-CG 4.42Å; L124-K128 PolarHBondContact O-N 2.76Å; L125-K128 WeakPolarHBondContact O-CB 3.3Å; L125-K128 PolarHBondContact O-N 3.11Å; L125-K128 VanDerWaalsContact O-N 3.17Å; R126-K128 VanDerWaalsContact C-N 3.33Å; K128-A130 PolarHBondContact O-N 2.8Å; K128-A131 WeakPolarHBondContact O-CB 3.39Å; K128-A131 PolarHBondContact O-N 3.24Å; K128-D132 PolarHBondContact O-N 3.37Å |
| 129 | D | 81.5 | Confident | 80.1 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 174.9 | -82.5 | 4.5 | 0 | 0 | 0 | 111.9 | L125 R126 K133 | L125-D129 PolarHBondContact O-N 3.27Å; R126-D129 PolarHBondContact O-N 3.13Å; D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 VanDerWaalsContact O-CG 3.32Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.08Å |
| 130 | A | 84.8 | Confident | 80.9 | Confident | 44 Ų | 44 | 74 Ų | 74 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A100 R126 L127 K128 E134 | A100-A130 HydrophobicContact CB-CB 4.12Å; R126-A130 VanDerWaalsContact O-CB 3.32Å; R126-A130 WeakPolarHBondContact O-CB 3.44Å; R126-A130 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 2.85Å; K128-A130 PolarHBondContact O-N 2.8Å; A130-E134 VanDerWaalsContact O-CB 3.28Å; A130-E134 WeakPolarHBondContact O-CB 3.41Å; A130-E134 PolarHBondContact O-N 3.32Å |
| 131 | A | 83.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.033 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A100 Q101 L127 K128 E134 N135 | A100-A131 HydrophobicContact CB-CB 4.22Å; Q101-A131 HydrophobicContact CG-CB 3.97Å; L127-A131 WeakPolarHBondContact O-CB 3.49Å; L127-A131 PolarHBondContact O-N 2.89Å; K128-A131 WeakPolarHBondContact O-CB 3.39Å; K128-A131 PolarHBondContact O-N 3.24Å; A131-E134 PolarHBondContact O-N 3.33Å; A131-N135 PolarHBondContact O-N 2.85Å |
| 132 | D | 80.8 | Confident | 82 | Confident | 81 Ų | 81 | 71 Ų | 71 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.8 | -44.4 | 175.8 | -72.7 | -27.2 | 0 | 0 | 0 | 111.1 | K128 E134 N135 E136 | K128-D132 PolarHBondContact O-N 3.37Å; D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 PolarHBondContact O-N 2.9Å; D132-N135 WeakPolarHBondContact O-CB 3.17Å; D132-N135 PolarHBondContact O-N 3.39Å; D132-N135 VanDerWaalsContact O-N 3.13Å; D132-E136 PolarHBondContact O-N 3.33Å |
| 133 | K | 84.2 | Confident | 82.2 | Confident | 132 Ų | 132 | 74.1 Ų | 74.1 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 172.1 | -75.7 | 176.3 | -178.4 | 173.8 | 0 | 112.5 | D129 N135 E136 Q137 | D129-K133 WeakPolarHBondContact O-CB 3.28Å; D129-K133 VanDerWaalsContact O-CG 3.32Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 3.08Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-E136 PolarHBondContact O-N 3.45Å; K133-Q137 WeakPolarHBondContact O-CB 3.23Å; K133-Q137 VanDerWaalsContact O-CG 3.29Å; K133-Q137 WeakPolarHBondContact O-CG 3.36Å; K133-Q137 PolarHBondContact O-N 2.83Å |
| 134 | E | 85.9 | Confident | 82.6 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 173.3 | -179.9 | 177.1 | 78.9 | 0 | 0 | 110.9 | R97 Y98 A99 A100 Q101 A130 A131 D132 Q137 N138 | R97-E134 HydrophobicContact CB-CG 4.06Å; R97-E134 WeakPolarHBondContact O-CG 3.5Å; Y98-E134 WeakPolarHBondContact CA-OE1 3.36Å; A99-E134 PolarHBondContact N-OE1 2.83Å; A99-E134 PolarHBondContact N-OE2 2.94Å; A100-E134 HydrophobicContact CB-CB 4.37Å; A100-E134 PolarHBondContact N-OE1 3.24Å; A100-E134 PolarHBondContact N-OE2 3.27Å; A100-E134 VanDerWaalsContact N-OE2 3.11Å; Q101-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q101-E134 PolarHBondContact N-OE1 3.45Å; Q101-E134 VanDerWaalsContact N-OE1 3.15Å; A130-E134 VanDerWaalsContact O-CB 3.28Å; A130-E134 WeakPolarHBondContact O-CB 3.41Å; A130-E134 PolarHBondContact O-N 3.32Å; A131-E134 PolarHBondContact O-N 3.33Å; D132-E134 VanDerWaalsContact C-N 3.34Å; D132-E134 PolarHBondContact O-N 2.9Å; E134-Q137 PolarHBondContact O-N 3.09Å; E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 PolarHBondContact O-N 3.24Å; E134-N138 PolarHBondContact O-ND2 2.9Å |
| 135 | N | 82.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.3 | -169.4 | 35.9 | 0 | 0 | 0 | 112.7 | A131 D132 K133 N138 I139 | A131-N135 PolarHBondContact O-N 2.85Å; D132-N135 WeakPolarHBondContact O-CB 3.17Å; D132-N135 PolarHBondContact O-N 3.39Å; D132-N135 VanDerWaalsContact O-N 3.13Å; K133-N135 VanDerWaalsContact C-N 3.33Å; N135-N138 WeakPolarHBondContact O-CB 3.46Å; N135-N138 PolarHBondContact O-N 3.06Å; N135-I139 WeakPolarHBondContact O-CG1 3.16Å; N135-I139 PolarHBondContact O-N 3.46Å |
| 136 | E | 81.3 | Confident | 83.3 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 174.1 | -72.9 | -176.2 | 169 | 0 | 0 | 111.6 | D132 K133 N138 I139 V140 | D132-E136 PolarHBondContact O-N 3.33Å; K133-E136 PolarHBondContact O-N 3.45Å; E136-N138 VanDerWaalsContact C-N 3.34Å; E136-N138 PolarHBondContact O-N 3.36Å; E136-I139 PolarHBondContact O-N 3.02Å; E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 3.03Å |
| 137 | Q | 86.5 | Confident | 83.3 | Confident | 106 Ų | 106 | 69 Ų | 69 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 174.7 | -75 | 179.5 | 10 | 0 | 0 | 111.9 | K133 E134 I139 V140 E141 | K133-Q137 WeakPolarHBondContact O-CB 3.23Å; K133-Q137 VanDerWaalsContact O-CG 3.29Å; K133-Q137 WeakPolarHBondContact O-CG 3.36Å; K133-Q137 PolarHBondContact O-N 2.83Å; E134-Q137 PolarHBondContact O-N 3.09Å; Q137-I139 VanDerWaalsContact C-N 3.31Å; Q137-I139 PolarHBondContact O-N 2.82Å; Q137-V140 PolarHBondContact O-N 2.75Å; Q137-E141 VanDerWaalsContact O-CB 3.31Å; Q137-E141 WeakPolarHBondContact O-CB 3.38Å; Q137-E141 PolarHBondContact O-N 3.17Å |
| 138 | N | 86.7 | Confident | 83.5 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 175.6 | -76.8 | -30.5 | 0 | 0 | 0 | 112.2 | R96 R97 E134 N135 E136 F142 | R96-N138 WeakPolarHBondContact CA-OD1 3.3Å; R96-N138 HydrophobicContact CB-CB 4.43Å; R96-N138 HydrophobicContact CG-CB 3.99Å; R97-N138 PolarHBondContact N-OD1 2.96Å; R97-N138 PolarHBondContact O-ND2 3.03Å; E134-N138 WeakPolarHBondContact O-CB 3.13Å; E134-N138 PolarHBondContact O-N 3.24Å; E134-N138 PolarHBondContact O-ND2 2.9Å; N135-N138 WeakPolarHBondContact O-CB 3.46Å; N135-N138 PolarHBondContact O-N 3.06Å; E136-N138 VanDerWaalsContact C-N 3.34Å; E136-N138 PolarHBondContact O-N 3.36Å; N138-F142 WeakPolarHBondContact O-CB 3.27Å; N138-F142 PolarHBondContact O-N 3.09Å |
| 139 | I | 83.1 | Confident | 83.8 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 176.7 | -67.1 | 164 | 0 | 0 | 0 | 111.1 | N135 E136 Q137 F142 K143 | N135-I139 WeakPolarHBondContact O-CG1 3.16Å; N135-I139 PolarHBondContact O-N 3.46Å; E136-I139 PolarHBondContact O-N 3.02Å; Q137-I139 VanDerWaalsContact C-N 3.31Å; Q137-I139 PolarHBondContact O-N 2.82Å; I139-F142 PolarHBondContact O-N 3.47Å; I139-K143 WeakPolarHBondContact O-CG 3.46Å; I139-K143 PolarHBondContact O-N 2.99Å |
| 140 | V | 83.5 | Confident | 84.1 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 56% | 0.564 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | E136 Q137 K143 R144 | E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 3.03Å; Q137-V140 PolarHBondContact O-N 2.75Å; V140-K143 PolarHBondContact O-N 3.07Å; V140-R144 WeakPolarHBondContact O-CB 3.29Å; V140-R144 PolarHBondContact O-N 3.21Å |
| 141 | E | 83.9 | Confident | 84.3 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.9 | -177.1 | 153 | -136.2 | 0 | 0 | 112 | R97 Q137 R144 T145 | R97-E141 IonicContact NE-OE2 3.32Å; R97-E141 IonicContact NH2-OE2 3.81Å; Q137-E141 VanDerWaalsContact O-CB 3.31Å; Q137-E141 WeakPolarHBondContact O-CB 3.38Å; Q137-E141 PolarHBondContact O-N 3.17Å; E141-R144 PolarHBondContact O-N 3.21Å; E141-R144 IonicContact OE1-NH2 2.89Å; E141-R144 PolarHBondContact OE1-NH2 3.2Å; E141-T145 HydrophobicContact CG-CG2 4.42Å; E141-T145 WeakPolarHBondContact O-CB 3.45Å; E141-T145 WeakPolarHBondContact O-CG2 3.19Å; E141-T145 PolarHBondContact O-N 2.62Å; E141-T145 PolarHBondContact O-OG1 2.98Å |
| 142 | F | 83.7 | Confident | 84.4 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 169.4 | 178.2 | -124.6 | 0 | 0 | 0 | 111.7 | P94 N138 I139 R144 T145 I146 | P94-F142 HydrophobicContact CG-CB 4.23Å; P94-F142 HydrophobicContact CG-CD2 3.99Å; N138-F142 WeakPolarHBondContact O-CB 3.27Å; N138-F142 PolarHBondContact O-N 3.09Å; I139-F142 PolarHBondContact O-N 3.47Å; F142-R144 VanDerWaalsContact C-N 3.25Å; F142-R144 PolarHBondContact O-N 2.92Å; F142-T145 PolarHBondContact O-N 3.17Å; F142-T145 PolarHBondContact O-OG1 3.47Å; F142-I146 HydrophobicContact CD1-CD1 4.08Å; F142-I146 HydrophobicContact CD2-CD1 4.34Å; F142-I146 HydrophobicContact CD2-CG1 4.09Å; F142-I146 HydrophobicContact CE1-CD1 3.78Å; F142-I146 HydrophobicContact CE1-CG1 4.43Å; F142-I146 HydrophobicContact CE2-CD1 4.1Å; F142-I146 HydrophobicContact CE2-CG1 3.83Å; F142-I146 HydrophobicContact CG-CD1 4.38Å; F142-I146 HydrophobicContact CZ-CD1 3.81Å; F142-I146 HydrophobicContact CZ-CG1 4.02Å; F142-I146 VanDerWaalsContact O-CG1 3.26Å; F142-I146 WeakPolarHBondContact O-CG1 3.32Å; F142-I146 PolarHBondContact O-N 3.45Å; F142-I146 VanDerWaalsContact O-N 3.08Å |
| 143 | K | 79.6 | Confident | 84.6 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.5 | -36.6 | 178.3 | -72.1 | 178.1 | -178.9 | 178 | 0 | 113 | I139 V140 | I139-K143 WeakPolarHBondContact O-CG 3.46Å; I139-K143 PolarHBondContact O-N 2.99Å; V140-K143 PolarHBondContact O-N 3.07Å |
| 144 | R | 85.4 | Confident | 84.8 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.5 | -36.1 | 179.1 | -175.5 | 180 | 65.8 | -173.1 | -1.4 | 113.2 | V140 E141 F142 | V140-R144 WeakPolarHBondContact O-CB 3.29Å; V140-R144 PolarHBondContact O-N 3.21Å; E141-R144 PolarHBondContact O-N 3.21Å; E141-R144 IonicContact OE1-NH2 2.89Å; E141-R144 PolarHBondContact OE1-NH2 3.2Å; F142-R144 VanDerWaalsContact C-N 3.25Å; F142-R144 PolarHBondContact O-N 2.92Å |
| 145 | T | 84 | Confident | 84.9 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -94.8 | -10.7 | -173.1 | 53 | 0 | 0 | 0 | 0 | 113.9 | I24 P94 E141 F142 G147 H148 | I24-T145 WeakPolarHBondContact CB-O 3.47Å; P94-T145 WeakPolarHBondContact CG-OG1 3.37Å; E141-T145 HydrophobicContact CG-CG2 4.42Å; E141-T145 WeakPolarHBondContact O-CB 3.45Å; E141-T145 WeakPolarHBondContact O-CG2 3.19Å; E141-T145 PolarHBondContact O-N 2.62Å; E141-T145 PolarHBondContact O-OG1 2.98Å; F142-T145 PolarHBondContact O-N 3.17Å; F142-T145 PolarHBondContact O-OG1 3.47Å; T145-G147 PolarHBondContact O-N 2.85Å; T145-H148 VanDerWaalsContact O-CB 3.31Å; T145-H148 WeakPolarHBondContact O-CB 3.41Å; T145-H148 PolarHBondContact O-CD2 3.48Å; T145-H148 PolarHBondContact O-N 3.34Å |
| 146 | I | 82.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 60 Ų | 60 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 127 | 172.9 | -77.6 | 163.2 | 0 | 0 | 0 | 110 | I24 F142 Y268 | I24-I146 WeakPolarHBondContact O-CA 2.99Å; F142-I146 HydrophobicContact CD1-CD1 4.08Å; F142-I146 HydrophobicContact CD2-CD1 4.34Å; F142-I146 HydrophobicContact CD2-CG1 4.09Å; F142-I146 HydrophobicContact CE1-CD1 3.78Å; F142-I146 HydrophobicContact CE1-CG1 4.43Å; F142-I146 HydrophobicContact CE2-CD1 4.1Å; F142-I146 HydrophobicContact CE2-CG1 3.83Å; F142-I146 HydrophobicContact CG-CD1 4.38Å; F142-I146 HydrophobicContact CZ-CD1 3.81Å; F142-I146 HydrophobicContact CZ-CG1 4.02Å; F142-I146 VanDerWaalsContact O-CG1 3.26Å; F142-I146 WeakPolarHBondContact O-CG1 3.32Å; F142-I146 PolarHBondContact O-N 3.45Å; F142-I146 VanDerWaalsContact O-N 3.08Å; I146-Y268 HydrophobicContact CG2-CD2 3.81Å |
| 147 | G | 81.1 | Confident | 85.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H23 I24 T145 Y268 | H23-G147 PolarHBondContact CD2-O 3.09Å; I24-G147 PolarHBondContact O-N 3.2Å; T145-G147 PolarHBondContact O-N 2.85Å; G147-Y268 VanDerWaalsContact CA-CE2 3.43Å; G147-Y268 VanDerWaalsContact CA-CZ 3.43Å |
| 148 | H | 87.1 | Confident | 85.9 | Confident | 111 Ų | 111 | 49 Ų | 49 | 51% | 0.514 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 137.5 | 170.3 | -79 | -138.6 | 0 | 0 | 0 | 110.6 | H23 I24 T145 | H23-H148 CarbonylContact C-O 3.58Å; H23-H148 WeakPolarHBondContact CA-O 3.16Å; I24-H148 HydrophobicContact CD1-CB 4.15Å; I24-H148 HydrophobicContact CG1-CB 4.46Å; I24-H148 PolarHBondContact N-O 3.5Å; T145-H148 VanDerWaalsContact O-CB 3.31Å; T145-H148 WeakPolarHBondContact O-CB 3.41Å; T145-H148 PolarHBondContact O-CD2 3.48Å; T145-H148 PolarHBondContact O-N 3.34Å |
| 149 | V | 87.3 | Confident | 86 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 133.6 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | F21 L22 N210 | F21-V149 HydrophobicContact CB-CG1 3.84Å; F21-V149 HydrophobicContact CB-CG2 4.45Å; F21-V149 HydrophobicContact CG-CG1 4.37Å; L22-V149 WeakPolarHBondContact O-CA 3.21Å; V149-N210 HydrophobicContact CG1-CB 3.78Å |
| 150 | V | 88.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -81.4 | 125.4 | 174.9 | -178 | 0 | 0 | 0 | 0 | 109 | L22 I24 I92 I156 V198 V211 | L22-V150 HydrophobicContact CB-CB 4.41Å; L22-V150 HydrophobicContact CD2-CB 4.41Å; L22-V150 HydrophobicContact CG-CB 4.47Å; L22-V150 HydrophobicContact CG-CG2 4.36Å; L22-V150 PolarHBondContact O-N 2.87Å; I24-V150 HydrophobicContact CG1-CG2 4.12Å; I92-V150 HydrophobicContact CG2-CG2 4.27Å; V150-I156 HydrophobicContact CG1-CG2 4.24Å; V150-V198 HydrophobicContact CG1-CG2 4.43Å; V150-V211 HydrophobicContact CG1-CG2 4.12Å; V150-V211 WeakPolarHBondContact O-CG2 3.44Å; V150-V211 PolarHBondContact O-N 2.89Å |
| 151 | Q | 88.8 | Confident | 85.8 | Confident | 88 Ų | 88 | 43.2 Ų | 43.2 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -105.8 | 150.2 | 175.9 | -69.7 | 173 | -17 | 0 | 0 | 111 | G153 T154 G208 D209 N210 | Q151-G153 PolarHBondContact O-N 3.36Å; Q151-T154 PolarHBondContact N-OG1 3.41Å; Q151-T154 WeakPolarHBondContact O-CB 3.34Å; Q151-T154 PolarHBondContact O-N 3.22Å; Q151-T154 PolarHBondContact O-OG1 3.45Å; Q151-G208 WeakPolarHBondContact CG-O 3.47Å; Q151-D209 CarbonylContact C-O 2.82Å; Q151-D209 VanDerWaalsContact CA-O 3.25Å; Q151-D209 WeakPolarHBondContact CA-O 3.44Å; Q151-N210 VanDerWaalsContact CG-OD1 3.27Å; Q151-N210 WeakPolarHBondContact CG-OD1 3.18Å; Q151-N210 PolarHBondContact NE2-OD1 2.81Å |
| 152 | Y | 86.8 | Confident | 85.3 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 129 | 169.3 | -74.8 | -71.7 | 0 | 0 | 0 | 110 | V198 P200 R205 S206 L207 G208 D209 V211 D215 I217 | Y152-V198 CarbonylContact C-O 3.45Å; Y152-V198 WeakPolarHBondContact CA-O 3.39Å; Y152-V198 HydrophobicContact CD1-CG1 4.09Å; Y152-V198 HydrophobicContact CE1-CG1 4.19Å; Y152-P200 HydrophobicContact CD1-CB 3.71Å; Y152-P200 VanDerWaalsContact CD1-CD 3.41Å; Y152-P200 HydrophobicContact CD1-CG 3.97Å; Y152-P200 VanDerWaalsContact CD1-N 3.29Å; Y152-P200 HydrophobicContact CE1-CB 3.52Å; Y152-P200 HydrophobicContact CE1-CG 4.3Å; Y152-P200 HydrophobicContact CG-CB 4.27Å; Y152-P200 HydrophobicContact CG-CG 4.3Å; Y152-R205 HydrophobicContact CD2-CB 4.01Å; Y152-R205 HydrophobicContact CE2-CB 3.89Å; Y152-R205 HydrophobicContact CE2-CG 4.02Å; Y152-S206 WeakPolarHBondContact CB-O 3.45Å; Y152-L207 CarbonylContact O-C 3.6Å; Y152-G208 PolarHBondContact O-N 2.93Å; Y152-D209 HydrophobicContact CD2-CB 4.14Å; Y152-D209 VanDerWaalsContact CD2-O 3.29Å; Y152-D209 WeakPolarHBondContact CD2-O 3.43Å; Y152-D209 PolarHBondContact N-O 3.49Å; Y152-V211 HydrophobicContact CD1-CG2 4.02Å; Y152-V211 HydrophobicContact CD2-CG2 3.85Å; Y152-V211 HydrophobicContact CE1-CG2 3.99Å; Y152-V211 HydrophobicContact CE2-CB 4.18Å; Y152-V211 HydrophobicContact CE2-CG1 4.47Å; Y152-V211 HydrophobicContact CE2-CG2 3.75Å; Y152-V211 HydrophobicContact CG-CG2 3.98Å; Y152-D215 WeakPolarHBondContact OH-CB 3.45Å; Y152-D215 VanDerWaalsContact OH-CG 3.31Å; Y152-D215 PolarHBondContact OH-OD2 2.9Å; Y152-I217 HydrophobicContact CE1-CG2 3.84Å |
| 153 | G | 83.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 40.4 Ų | 40.4 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q151 V198 | Q151-G153 PolarHBondContact O-N 3.36Å; G153-V198 PolarHBondContact N-O 3.24Å |
| 154 | T | 88.5 | Confident | 84.6 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | trans | -72.6 | 136.8 | 174.9 | -51 | 0 | 0 | 0 | 0 | 110.5 | Q151 I156 V198 | Q151-T154 PolarHBondContact N-OG1 3.41Å; Q151-T154 WeakPolarHBondContact O-CB 3.34Å; Q151-T154 PolarHBondContact O-N 3.22Å; Q151-T154 PolarHBondContact O-OG1 3.45Å; T154-I156 HydrophobicContact CG2-CG2 4.28Å; T154-V198 PolarHBondContact O-N 3.25Å; T154-V198 VanDerWaalsContact O-N 3.15Å | ||
| 155 | T | 88.2 | Confident | 84.6 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 17% | 0.172 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 127.2 | 171.1 | -46.9 | 0 | 0 | 0 | 0 | 110.1 | V95 W195 F196 V197 Y222 | V95-T155 HydrophobicContact CG2-CG2 3.66Å; V95-T155 VanDerWaalsContact CG2-O 3.25Å; V95-T155 WeakPolarHBondContact CG2-O 3.37Å; T155-W195 HydrophobicContact CG2-CB 3.81Å; T155-W195 HydrophobicContact CG2-CG 4.49Å; T155-F196 CarbonylContact C-O 3.55Å; T155-F196 WeakPolarHBondContact CA-O 3.26Å; T155-V197 HydrophobicContact CG2-CG2 4.43Å; T155-Y222 HydrophobicContact CG2-CD2 3.77Å; T155-Y222 HydrophobicContact CG2-CG 4.25Å; T155-Y222 WeakPolarHBondContact OG1-CD2 3.35Å |
| 156 | I | 90.5 | Very high | 84.8 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 168.5 | -179.5 | 64.9 | 168.4 | 0 | 0 | 0 | 111 | I92 V150 T154 L158 F196 V198 L219 | I92-I156 HydrophobicContact CG2-CB 4.33Å; I92-I156 HydrophobicContact CG2-CD1 4.29Å; I92-I156 HydrophobicContact CG2-CG2 4.23Å; V150-I156 HydrophobicContact CG1-CG2 4.24Å; T154-I156 HydrophobicContact CG2-CG2 4.28Å; I156-L158 HydrophobicContact CD1-CD2 4.15Å; I156-F196 WeakPolarHBondContact CG1-O 3.48Å; I156-F196 PolarHBondContact N-O 3.13Å; I156-F196 PolarHBondContact O-N 3.27Å; I156-V198 HydrophobicContact CD1-CG2 3.53Å; I156-V198 HydrophobicContact CG1-CG2 3.8Å; I156-V198 HydrophobicContact CG2-CG2 4.44Å; I156-L219 HydrophobicContact CD1-CD2 4.46Å |
| 157 | Q | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151 | 167.1 | -56.2 | -169.7 | -66.4 | 0 | 0 | 109.9 | C93 P94 R96 Y98 F166 | C93-Q157 HydrophobicContact CB-CB 4.21Å; C93-Q157 PolarHBondContact N-O 2.95Å; C93-Q157 PolarHBondContact O-N 3.11Å; P94-Q157 PolarHBondContact O-OE1 3.17Å; P94-Q157 VanDerWaalsContact O-OE1 3.04Å; R96-Q157 VanDerWaalsContact CG-OE1 3.29Å; Y98-Q157 PolarHBondContact OH-NE2 2.61Å; Q157-F166 HydrophobicContact CB-CD1 4.08Å; Q157-F166 HydrophobicContact CB-CE1 4.32Å |
| 158 | L | 91.2 | Very high | 85.5 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110 | 178.6 | -63.7 | 174.3 | 0 | 0 | 0 | 109.4 | L30 F90 I92 I156 F166 L167 L219 | L30-L158 HydrophobicContact CD1-CD1 3.72Å; F90-L158 HydrophobicContact CB-CB 4.44Å; F90-L158 HydrophobicContact CB-CD2 4.44Å; F90-L158 HydrophobicContact CD1-CB 4.19Å; I92-L158 HydrophobicContact CG1-CD2 4.38Å; I156-L158 HydrophobicContact CD1-CD2 4.15Å; L158-F166 WeakPolarHBondContact O-CA 3.48Å; L158-L167 HydrophobicContact CB-CB 4.13Å; L158-L167 HydrophobicContact CD1-CD2 3.98Å; L158-L167 PolarHBondContact O-N 3.18Å; L158-L219 HydrophobicContact CD1-CD1 3.8Å |
| 159 | L | 87.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.8 | 176 | 177.1 | 66.2 | 0 | 0 | 0 | 109.3 | F90 Q91 V161 N164 F166 | F90-L159 CarbonylContact C-O 3.57Å; F90-L159 VanDerWaalsContact CA-O 3.3Å; F90-L159 WeakPolarHBondContact CA-O 3.26Å; Q91-L159 HydrophobicContact CB-CB 4.31Å; Q91-L159 PolarHBondContact N-O 3.41Å; Q91-L159 PolarHBondContact O-N 3.04Å; L159-V161 PolarHBondContact O-N 3.16Å; L159-N164 VanDerWaalsContact CD1-C 3.44Å; L159-F166 HydrophobicContact CB-CD1 4.19Å; L159-F166 HydrophobicContact CB-CE1 3.88Å; L159-F166 HydrophobicContact CB-CZ 4.44Å; L159-F166 HydrophobicContact CD1-CD1 4.24Å; L159-F166 HydrophobicContact CD1-CD2 4.25Å; L159-F166 HydrophobicContact CD1-CE1 3.97Å; L159-F166 HydrophobicContact CD1-CE2 3.96Å; L159-F166 HydrophobicContact CD1-CG 4.36Å; L159-F166 HydrophobicContact CD1-CZ 3.8Å; L159-F166 HydrophobicContact CG-CE1 4.42Å |
| 160 | H | 85.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 116 | 175.6 | -179.2 | -126.3 | 0 | 0 | 0 | 110 | T44 N87 L89 F90 K162 S163 N164 K165 L186 | T44-H160 VanDerWaalsContact CG2-CE1 3.49Å; T44-H160 WeakPolarHBondContact CG2-CE1 3.34Å; N87-H160 VanDerWaalsContact C-NE2 3.32Å; N87-H160 WeakPolarHBondContact CA-NE2 3.42Å; N87-H160 PolarHBondContact O-NE2 3.48Å; N87-H160 PolarHBondContact OD1-CE1 3.01Å; L89-H160 PolarHBondContact O-CD2 3.29Å; F90-H160 HydrophobicContact CD1-CB 4Å; F90-H160 HydrophobicContact CE1-CB 3.73Å; F90-H160 AromaticContact CE1-CD2 3.81Å; F90-H160 AromaticContact CZ-CD2 3.77Å; H160-K162 VanDerWaalsContact C-N 3.25Å; H160-K162 PolarHBondContact O-N 3.4Å; H160-S163 PolarHBondContact ND1-N 3Å; H160-S163 PolarHBondContact ND1-OG 3.39Å; H160-S163 PolarHBondContact O-N 3.16Å; H160-N164 VanDerWaalsContact O-CA 3.27Å; H160-N164 WeakPolarHBondContact O-CA 3.27Å; H160-N164 PolarHBondContact O-N 3.35Å; H160-K165 WeakPolarHBondContact CB-O 3.45Å; H160-K165 PolarHBondContact N-O 2.72Å; H160-L186 HydrophobicContact CB-CD1 4.05Å; H160-L186 HydrophobicContact CB-CD2 3.94Å |
| 161 | V | 77.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 25.1 Ų | 25.1 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.9 | -168.1 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | I27 L89 Q91 L159 | I27-V161 HydrophobicContact CG2-CG2 4.11Å; L89-V161 HydrophobicContact CB-CB 4.17Å; L89-V161 HydrophobicContact CB-CG2 4.06Å; L89-V161 WeakPolarHBondContact O-CG2 3.44Å; L89-V161 PolarHBondContact O-N 3.08Å; Q91-V161 HydrophobicContact CB-CG2 4.23Å; L159-V161 PolarHBondContact O-N 3.16Å |
| 162 | K | 72.8 | Confident | 83.9 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -51.4 | -176.2 | -163.6 | -159.3 | -173 | -158.8 | 0 | 112.7 | L47 G83 R85 R86 N87 H160 R495 | L47-K162 HydrophobicContact CD2-CD 4.15Å; L47-K162 HydrophobicContact CD2-CG 4.2Å; L47-K162 HydrophobicContact CG-CD 4.35Å; G83-K162 PolarHBondContact O-NZ 3.21Å; R85-K162 WeakPolarHBondContact O-CD 3.39Å; R85-K162 WeakPolarHBondContact O-CE 3.48Å; R86-K162 HydrophobicContact CB-CB 4.49Å; N87-K162 WeakPolarHBondContact OD1-CD 3.35Å; H160-K162 VanDerWaalsContact C-N 3.25Å; H160-K162 PolarHBondContact O-N 3.4Å; K162-R495 WeakPolarHBondContact O-CD 3.36Å |
| 163 | S | 72.5 | Confident | 83.5 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.7 | -178.6 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | H160 K165 | H160-S163 PolarHBondContact ND1-N 3Å; H160-S163 PolarHBondContact ND1-OG 3.39Å; H160-S163 PolarHBondContact O-N 3.16Å; S163-K165 PolarHBondContact O-N 3.34Å; S163-K165 WeakPolarHBondContact OG-CB 3.39Å; S163-K165 PolarHBondContact OG-N 2.67Å |
| 164 | N | 76.2 | Confident | 83.4 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 32.8 | -171.4 | -154.4 | 50.1 | 0 | 0 | 0 | 112.4 | L159 H160 | L159-N164 VanDerWaalsContact CD1-C 3.44Å; H160-N164 VanDerWaalsContact O-CA 3.27Å; H160-N164 WeakPolarHBondContact O-CA 3.27Å; H160-N164 PolarHBondContact O-N 3.35Å |
| 165 | K | 84.7 | Confident | 82.9 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 145.8 | 178.2 | -62.4 | -174.2 | 178.2 | 177.5 | 0 | 109.8 | D50 H160 S163 L186 D187 L188 | D50-K165 IonicContact OD1-NZ 2.81Å; D50-K165 PolarHBondContact OD1-NZ 3.45Å; D50-K165 IonicContact OD2-NZ 3.26Å; D50-K165 PolarHBondContact OD2-NZ 3.02Å; H160-K165 WeakPolarHBondContact CB-O 3.45Å; H160-K165 PolarHBondContact N-O 2.72Å; S163-K165 PolarHBondContact O-N 3.34Å; S163-K165 WeakPolarHBondContact OG-CB 3.39Å; S163-K165 PolarHBondContact OG-N 2.67Å; K165-L186 HydrophobicContact CB-CB 3.75Å; K165-L186 HydrophobicContact CD-CB 3.96Å; K165-L186 HydrophobicContact CG-CB 4.49Å; K165-D187 CarbonylContact C-O 3.58Å; K165-D187 WeakPolarHBondContact CA-O 3.43Å; K165-D187 WeakPolarHBondContact CB-O 3.25Å; K165-L188 HydrophobicContact CG-CB 4.26Å; K165-L188 HydrophobicContact CG-CD1 4.07Å |
| 166 | F | 87.9 | Confident | 82.2 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.6 | 177.2 | -67.9 | -81.8 | 0 | 0 | 0 | 111.8 | C93 Q157 L158 L159 T168 L186 D187 Q189 | C93-F166 HydrophobicContact CB-CE1 4.3Å; Q157-F166 HydrophobicContact CB-CD1 4.08Å; Q157-F166 HydrophobicContact CB-CE1 4.32Å; L158-F166 WeakPolarHBondContact O-CA 3.48Å; L159-F166 HydrophobicContact CB-CD1 4.19Å; L159-F166 HydrophobicContact CB-CE1 3.88Å; L159-F166 HydrophobicContact CB-CZ 4.44Å; L159-F166 HydrophobicContact CD1-CD1 4.24Å; L159-F166 HydrophobicContact CD1-CD2 4.25Å; L159-F166 HydrophobicContact CD1-CE1 3.97Å; L159-F166 HydrophobicContact CD1-CE2 3.96Å; L159-F166 HydrophobicContact CD1-CG 4.36Å; L159-F166 HydrophobicContact CD1-CZ 3.8Å; L159-F166 HydrophobicContact CG-CE1 4.42Å; F166-T168 PolarHBondContact O-N 3.43Å; F166-T168 PolarHBondContact O-OG1 3.13Å; F166-L186 WeakPolarHBondContact O-CA 3.22Å; F166-D187 PolarHBondContact N-O 3.1Å; F166-D187 PolarHBondContact O-N 2.79Å; F166-Q189 WeakPolarHBondContact CD2-O 3.33Å |
| 167 | L | 90 | Very high | 81.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 124.7 | 167.8 | -170.8 | 68.7 | 0 | 0 | 0 | 109.4 | L42 C52 L158 V184 L186 S194 F196 L235 | L42-L167 HydrophobicContact CD2-CD2 4.31Å; C52-L167 HydrophobicContact CB-CD1 4.32Å; C52-L167 WeakPolarHBondContact SG-CD1 3.48Å; L158-L167 HydrophobicContact CB-CB 4.13Å; L158-L167 HydrophobicContact CD1-CD2 3.98Å; L158-L167 PolarHBondContact O-N 3.18Å; L167-V184 HydrophobicContact CD1-CG1 3.48Å; L167-V184 VanDerWaalsContact CD1-CG1 3.48Å; L167-V184 HydrophobicContact CG-CG1 4.09Å; L167-L186 HydrophobicContact CB-CD2 4.36Å; L167-L186 HydrophobicContact CD1-CD2 4.11Å; L167-S194 VanDerWaalsContact O-CA 3.28Å; L167-S194 WeakPolarHBondContact O-CA 3.36Å; L167-S194 VanDerWaalsContact O-CB 3.3Å; L167-S194 WeakPolarHBondContact O-CB 3.19Å; L167-F196 HydrophobicContact CB-CE2 4.27Å; L167-F196 HydrophobicContact CD2-CE2 4.11Å; L167-F196 HydrophobicContact CD2-CZ 4.1Å; L167-F196 HydrophobicContact CG-CE2 4.17Å; L167-F196 HydrophobicContact CG-CZ 4.17Å; L167-F196 WeakPolarHBondContact O-CE2 3.46Å; L167-L235 HydrophobicContact CD2-CD1 4.48Å; L167-L235 HydrophobicContact CD2-CD2 4.16Å |
| 168 | T | 88.5 | Confident | 80.8 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 127.6 | -168.8 | -54 | 0 | 0 | 0 | 0 | 111 | F166 V184 T185 S191 S194 | F166-T168 PolarHBondContact O-N 3.43Å; F166-T168 PolarHBondContact O-OG1 3.13Å; T168-V184 WeakPolarHBondContact O-CA 2.92Å; T168-T185 PolarHBondContact N-O 3.16Å; T168-T185 PolarHBondContact O-N 3.43Å; T168-T185 VanDerWaalsContact O-O 3.12Å; T168-S191 WeakPolarHBondContact CG2-OG 3.39Å; T168-S194 WeakPolarHBondContact CG2-OG 3.39Å; T168-S194 PolarHBondContact OG1-OG 3.21Å |
| 169 | T | 88 | Confident | 80.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.3 | 171 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | V184 G193 F196 P221 C253 | T169-V184 HydrophobicContact CG2-CG2 4.19Å; T169-G193 PolarHBondContact N-O 3.16Å; T169-G193 PolarHBondContact OG1-O 2.99Å; T169-F196 HydrophobicContact CG2-CE1 3.8Å; T169-F196 HydrophobicContact CG2-CZ 3.83Å; T169-P221 HydrophobicContact CG2-CG 3.93Å; T169-C253 HydrophobicContact CG2-CB 4.07Å |
| 170 | N | 83.2 | Confident | 79.9 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 114.1 | 174.8 | -168.4 | -20.5 | 0 | 0 | 0 | 110.4 | K172 E173 K183 | N170-K172 VanDerWaalsContact C-N 3.26Å; N170-K172 PolarHBondContact O-N 2.65Å; N170-K172 PolarHBondContact OD1-N 3.49Å; N170-E173 HydrophobicContact CB-CB 4.3Å; N170-E173 VanDerWaalsContact ND2-CD 3.27Å; N170-E173 WeakPolarHBondContact ND2-CG 3Å; N170-E173 PolarHBondContact OD1-N 3.23Å; N170-K183 HydrophobicContact CB-CB 4.46Å; N170-K183 PolarHBondContact N-O 2.65Å |
| 171 | K | 74 | Confident | 79.8 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 40% | 0.404 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -24.8 | -179 | -60.5 | 178 | 179.2 | 177.1 | 0 | 113.6 | D192 Y223 | K171-D192 IonicContact NZ-OD2 2.79Å; K171-D192 PolarHBondContact NZ-OD2 3.4Å; K171-Y223 HydrophobicContact CD-CD1 4.5Å; K171-Y223 HydrophobicContact CG-CE1 4.22Å |
| 172 | K | 74.2 | Confident | 80.2 | Confident | 197 Ų | 197 | 57.9 Ų | 57.9 | 86% | 0.857 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | -20.3 | -171.4 | -65.3 | -173.7 | 178.7 | -175.7 | 0 | 113.5 | N170 | N170-K172 VanDerWaalsContact C-N 3.26Å; N170-K172 PolarHBondContact O-N 2.65Å; N170-K172 PolarHBondContact OD1-N 3.49Å |
| 173 | E | 78.5 | Confident | 80.8 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.5 | -175 | -71.2 | -178.2 | -165.9 | 0 | 0 | 111.4 | N170 K183 | N170-E173 HydrophobicContact CB-CB 4.3Å; N170-E173 VanDerWaalsContact ND2-CD 3.27Å; N170-E173 WeakPolarHBondContact ND2-CG 3Å; N170-E173 PolarHBondContact OD1-N 3.23Å; E173-K183 HydrophobicContact CB-CB 4.26Å; E173-K183 HydrophobicContact CB-CD 4.15Å; E173-K183 VanDerWaalsContact O-CB 3.3Å; E173-K183 WeakPolarHBondContact O-CB 3.45Å; E173-K183 PolarHBondContact O-N 3.18Å; E173-K183 WeakPolarHBondContact OE2-CD 3.48Å; E173-K183 IonicContact OE2-NZ 2.57Å; E173-K183 PolarHBondContact OE2-NZ 2.92Å |
| 174 | P | 80.8 | Confident | 81.5 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 150.6 | 169.1 | 29.1 | -32.9 | 0 | 0 | 0 | 110.8 | R179 A181 | P174-R179 VanDerWaalsContact CB-O 3.32Å; P174-R179 WeakPolarHBondContact CB-O 3.39Å; P174-A181 CarbonylContact C-O 3.52Å; P174-A181 WeakPolarHBondContact CA-O 3.41Å |
| 175 | A | 78.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | trans | -63.1 | 155.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D178 A181 K183 N252 | A175-D178 WeakPolarHBondContact CB-O 3.31Å; A175-A181 HydrophobicContact CB-CB 4.25Å; A175-A181 PolarHBondContact N-O 3.49Å; A175-K183 HydrophobicContact CB-CB 4.48Å; A175-N252 HydrophobicContact CB-CB 3.85Å | ||
| 176 | R | 72.8 | Confident | 81.8 | Confident | 125 Ų | 125 | 56.3 Ų | 56.3 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -75.9 | -37.6 | -166.4 | -171 | 173.8 | 175.7 | 179.8 | -2.4 | 112 | E250 | R176-E250 PolarHBondContact N-OE1 3.31Å; R176-E250 VanDerWaalsContact N-OE1 3.11Å; R176-E250 PolarHBondContact N-OE2 2.91Å |
| 177 | V | 74.5 | Confident | 81.5 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -92.1 | -48.5 | 180 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | L240 L242 E250 | V177-L240 HydrophobicContact CG1-CB 3.43Å; V177-L240 VanDerWaalsContact CG1-CB 3.43Å; V177-L240 HydrophobicContact CG1-CD1 3.98Å; V177-L240 HydrophobicContact CG1-CG 4.32Å; V177-L242 HydrophobicContact CG2-CD2 3.59Å; V177-L242 HydrophobicContact CG2-CG 4.39Å; V177-E250 WeakPolarHBondContact CB-OE2 3.36Å; V177-E250 HydrophobicContact CG2-CB 4.34Å; V177-E250 WeakPolarHBondContact CG2-OE2 3.45Å; V177-E250 PolarHBondContact N-OE2 2.93Å |
| 178 | D | 77.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | trans | -102.4 | 92.3 | -178.8 | -170.3 | -7.6 | 0 | 0 | 0 | 111 | A175 N180 A181 L240 N252 | A175-D178 WeakPolarHBondContact CB-O 3.31Å; D178-N180 PolarHBondContact O-N 3.37Å; D178-N180 VanDerWaalsContact O-N 3.12Å; D178-N180 PolarHBondContact OD1-N 3.18Å; D178-A181 HydrophobicContact CB-CB 4.13Å; D178-A181 PolarHBondContact O-N 2.86Å; D178-L240 HydrophobicContact CB-CD1 4.4Å; D178-N252 VanDerWaalsContact CB-ND2 3.27Å; D178-N252 WeakPolarHBondContact CB-ND2 3.1Å; D178-N252 PolarHBondContact OD2-ND2 2.67Å; D178-N252 VanDerWaalsContact OD2-ND2 3.11Å | ||
| 179 | R | 78.4 | Confident | 80.2 | Confident | 206 Ų | 206 | 65.9 Ų | 65.9 | 78% | 0.777 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.9 | -172 | -63.7 | -174.3 | -179.6 | -172.3 | 0.4 | 114.1 | P174 | P174-R179 VanDerWaalsContact CB-O 3.32Å; P174-R179 WeakPolarHBondContact CB-O 3.39Å |
| 180 | N | 80.7 | Confident | 79.7 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.4 | 177.1 | -68 | -5.8 | 0 | 0 | 0 | 112.1 | D178 | D178-N180 PolarHBondContact O-N 3.37Å; D178-N180 VanDerWaalsContact O-N 3.12Å; D178-N180 PolarHBondContact OD1-N 3.18Å |
| 181 | A | 84.3 | Confident | 79.7 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -94.2 | 153 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P174 A175 D178 N252 L254 | P174-A181 CarbonylContact C-O 3.52Å; P174-A181 WeakPolarHBondContact CA-O 3.41Å; A175-A181 HydrophobicContact CB-CB 4.25Å; A175-A181 PolarHBondContact N-O 3.49Å; D178-A181 HydrophobicContact CB-CB 4.13Å; D178-A181 PolarHBondContact O-N 2.86Å; A181-N252 HydrophobicContact CB-CB 3.64Å; A181-N252 VanDerWaalsContact CB-CG 3.41Å; A181-N252 WeakPolarHBondContact CB-ND2 3.42Å; A181-L254 HydrophobicContact CB-CB 4.08Å; A181-L254 HydrophobicContact CB-CD1 4.15Å |
| 182 | M | 85.2 | Confident | 80 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 143.4 | 170.9 | -67.2 | 171.1 | -71 | 0 | 0 | 110.2 | Y223 H233 C253 | M182-Y223 WeakPolarHBondContact CE-OH 3.2Å; M182-Y223 HydrophobicContact SD-CE2 4.38Å; M182-Y223 PolarHBondContact SD-OH 3.35Å; M182-H233 HydrophobicContact CE-CB 3.7Å; M182-C253 HydrophobicContact CB-CB 4.16Å; M182-C253 HydrophobicContact CE-CB 4.07Å; M182-C253 PolarHBondContact N-O 3.41Å; M182-C253 PolarHBondContact O-N 3.27Å |
| 183 | K | 85.6 | Confident | 80.4 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.5 | -179.7 | -172.6 | 177.3 | 168.2 | -169.5 | 0 | 111.2 | N170 E173 A175 T185 | N170-K183 HydrophobicContact CB-CB 4.46Å; N170-K183 PolarHBondContact N-O 2.65Å; E173-K183 HydrophobicContact CB-CB 4.26Å; E173-K183 HydrophobicContact CB-CD 4.15Å; E173-K183 VanDerWaalsContact O-CB 3.3Å; E173-K183 WeakPolarHBondContact O-CB 3.45Å; E173-K183 PolarHBondContact O-N 3.18Å; E173-K183 WeakPolarHBondContact OE2-CD 3.48Å; E173-K183 IonicContact OE2-NZ 2.57Å; E173-K183 PolarHBondContact OE2-NZ 2.92Å; A175-K183 HydrophobicContact CB-CB 4.48Å; K183-T185 HydrophobicContact CD-CG2 4.32Å; K183-T185 HydrophobicContact CG-CG2 4.12Å |
| 184 | V | 87 | Confident | 80.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | C52 L167 T168 T169 L235 C253 | C52-V184 HydrophobicContact CB-CG1 4.3Å; L167-V184 HydrophobicContact CD1-CG1 3.48Å; L167-V184 VanDerWaalsContact CD1-CG1 3.48Å; L167-V184 HydrophobicContact CG-CG1 4.09Å; T168-V184 WeakPolarHBondContact O-CA 2.92Å; T169-V184 HydrophobicContact CG2-CG2 4.19Å; V184-L235 HydrophobicContact CG1-CD1 4.26Å; V184-L235 HydrophobicContact CG2-CD1 4.04Å; V184-C253 HydrophobicContact CG2-CB 4.16Å |
| 185 | T | 84.3 | Confident | 81.3 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.5 | -179.9 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | D50 T168 K183 | D50-T185 WeakPolarHBondContact O-CA 2.96Å; T168-T185 PolarHBondContact N-O 3.16Å; T168-T185 PolarHBondContact O-N 3.43Å; T168-T185 VanDerWaalsContact O-O 3.12Å; K183-T185 HydrophobicContact CD-CG2 4.32Å; K183-T185 HydrophobicContact CG-CG2 4.12Å |
| 186 | L | 84.7 | Confident | 81.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.6 | 168.2 | -68.9 | -176.8 | 0 | 0 | 0 | 110.9 | T44 D50 H160 K165 F166 L167 | T44-L186 HydrophobicContact CG2-CD1 3.33Å; T44-L186 HydrophobicContact CG2-CG 4.35Å; D50-L186 HydrophobicContact CB-CB 4.19Å; D50-L186 PolarHBondContact O-N 3.36Å; D50-L186 VanDerWaalsContact O-N 3.11Å; H160-L186 HydrophobicContact CB-CD1 4.05Å; H160-L186 HydrophobicContact CB-CD2 3.94Å; K165-L186 HydrophobicContact CB-CB 3.75Å; K165-L186 HydrophobicContact CD-CB 3.96Å; K165-L186 HydrophobicContact CG-CB 4.49Å; F166-L186 WeakPolarHBondContact O-CA 3.22Å; L167-L186 HydrophobicContact CB-CD2 4.36Å; L167-L186 HydrophobicContact CD1-CD2 4.11Å |
| 187 | D | 81.5 | Confident | 82.6 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.9 | 179.4 | -176 | 7.8 | 0 | 0 | 0 | 110.9 | K165 F166 G190 | K165-D187 CarbonylContact C-O 3.58Å; K165-D187 WeakPolarHBondContact CA-O 3.43Å; K165-D187 WeakPolarHBondContact CB-O 3.25Å; F166-D187 PolarHBondContact N-O 3.1Å; F166-D187 PolarHBondContact O-N 2.79Å; D187-G190 PolarHBondContact OD2-N 2.68Å |
| 188 | L | 76.9 | Confident | 83.3 | Confident | 99 Ų | 99 | 40.4 Ų | 40.4 | 52% | 0.518 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -65.7 | -43.5 | -174.8 | -174 | 70.1 | 0 | 0 | 0 | 112.8 | K165 | K165-L188 HydrophobicContact CG-CB 4.26Å; K165-L188 HydrophobicContact CG-CD1 4.07Å |
| 189 | Q | 73.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 40.6 Ų | 40.6 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -87.1 | -32 | 177.6 | -57.3 | -166.4 | -0.9 | 0 | 0 | 111.3 | Y98 W105 F166 | Y98-Q189 VanDerWaalsContact CE1-O 3.26Å; Y98-Q189 WeakPolarHBondContact CE1-O 3.41Å; Y98-Q189 PolarHBondContact OH-O 3.4Å; W105-Q189 HydrophobicContact CH2-CB 3.49Å; W105-Q189 VanDerWaalsContact CH2-CB 3.49Å; W105-Q189 HydrophobicContact CH2-CG 3.49Å; W105-Q189 VanDerWaalsContact CH2-CG 3.49Å; W105-Q189 HydrophobicContact CZ2-CB 4.07Å; W105-Q189 HydrophobicContact CZ2-CG 3.52Å; W105-Q189 HydrophobicContact CZ3-CB 4.15Å; F166-Q189 WeakPolarHBondContact CD2-O 3.33Å |
| 190 | G | 78.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | 81 | 171.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y98 D187 S194 | Y98-G190 WeakPolarHBondContact CE1-O 3.38Å; D187-G190 PolarHBondContact OD2-N 2.68Å; G190-S194 WeakPolarHBondContact CA-OG 3.2Å | ||
| 191 | S | 82.1 | Confident | 84.2 | Confident | 30 Ų | 30 | 29.1 Ų | 29.1 | 21% | 0.21 | 15% | 0.146 | C | C | . | . | trans | -149.2 | -175.6 | 179.8 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | Y98 T168 G193 S194 | Y98-S191 WeakPolarHBondContact CE2-O 3.41Å; T168-S191 WeakPolarHBondContact CG2-OG 3.39Å; S191-G193 PolarHBondContact O-N 3.04Å; S191-G193 VanDerWaalsContact O-N 3.09Å; S191-G193 PolarHBondContact OG-N 3.1Å; S191-S194 PolarHBondContact N-OG 2.93Å; S191-S194 VanDerWaalsContact O-CB 3.3Å; S191-S194 WeakPolarHBondContact O-CB 3.47Å; S191-S194 PolarHBondContact O-N 3.14Å; S191-S194 PolarHBondContact O-OG 2.94Å | ||
| 192 | D | 80.6 | Confident | 84 | Confident | 38 Ų | 38 | 34 Ų | 34 | 20% | 0.203 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59.9 | -16.4 | 170.1 | 59.6 | -60.5 | 0 | 0 | 0 | 113.2 | K102 K171 S194 W195 | K102-D192 IonicContact NZ-OD1 3.8Å; K102-D192 PolarHBondContact NZ-OD1 3.28Å; K102-D192 IonicContact NZ-OD2 2.77Å; K171-D192 IonicContact NZ-OD2 2.79Å; K171-D192 PolarHBondContact NZ-OD2 3.4Å; D192-S194 VanDerWaalsContact C-N 3.31Å; D192-W195 HydrophobicContact CB-CE3 4.48Å; D192-W195 HydrophobicContact CB-CH2 4.46Å; D192-W195 HydrophobicContact CB-CZ3 4.42Å |
| 193 | G | 83.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -79.5 | -5.9 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | T169 S191 W195 | T169-G193 PolarHBondContact N-O 3.16Å; T169-G193 PolarHBondContact OG1-O 2.99Å; S191-G193 PolarHBondContact O-N 3.04Å; S191-G193 VanDerWaalsContact O-N 3.09Å; S191-G193 PolarHBondContact OG-N 3.1Å; G193-W195 VanDerWaalsContact C-N 3.34Å |
| 194 | S | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -91.1 | 0.2 | 177.9 | -42.5 | 0 | 0 | 0 | 0 | 112.9 | L167 T168 G190 S191 D192 F196 | L167-S194 VanDerWaalsContact O-CA 3.28Å; L167-S194 WeakPolarHBondContact O-CA 3.36Å; L167-S194 VanDerWaalsContact O-CB 3.3Å; L167-S194 WeakPolarHBondContact O-CB 3.19Å; T168-S194 WeakPolarHBondContact CG2-OG 3.39Å; T168-S194 PolarHBondContact OG1-OG 3.21Å; G190-S194 WeakPolarHBondContact CA-OG 3.2Å; S191-S194 PolarHBondContact N-OG 2.93Å; S191-S194 VanDerWaalsContact O-CB 3.3Å; S191-S194 WeakPolarHBondContact O-CB 3.47Å; S191-S194 PolarHBondContact O-N 3.14Å; S191-S194 PolarHBondContact O-OG 2.94Å; D192-S194 VanDerWaalsContact C-N 3.31Å; S194-F196 WeakPolarHBondContact O-CD2 3.49Å |
| 195 | W | 88 | Confident | 82.5 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | trans | -87.3 | 118.3 | -179 | -60.1 | -11.9 | 0 | 0 | 0 | 110.4 | V95 R96 Y98 T155 D192 G193 P221 Y222 | V95-W195 HydrophobicContact CG1-CD2 3.9Å; V95-W195 VanDerWaalsContact CG1-CE2 3.44Å; V95-W195 HydrophobicContact CG1-CG 3.98Å; V95-W195 HydrophobicContact CG1-CZ2 3.94Å; R96-W195 PolarHBondContact O-NE1 3.46Å; Y98-W195 HydrophobicContact CD2-CZ2 4.2Å; Y98-W195 AromaticContact CD2-NE1 3.76Å; Y98-W195 AromaticContact CE2-NE1 3.47Å; T155-W195 HydrophobicContact CG2-CB 3.81Å; T155-W195 HydrophobicContact CG2-CG 4.49Å; D192-W195 HydrophobicContact CB-CE3 4.48Å; D192-W195 HydrophobicContact CB-CH2 4.46Å; D192-W195 HydrophobicContact CB-CZ3 4.42Å; G193-W195 VanDerWaalsContact C-N 3.34Å; W195-P221 CarbonylContact O-C 3.56Å; W195-P221 WeakPolarHBondContact O-CA 3.41Å; W195-Y222 HydrophobicContact CB-CG 4.34Å; W195-Y222 AromaticContact CE3-CD1 3.47Å; W195-Y222 HydrophobicContact CE3-CD1 3.47Å; W195-Y222 VanDerWaalsContact CE3-CD1 3.47Å; W195-Y222 HydrophobicContact CE3-CE1 4.01Å; W195-Y222 AromaticContact CE3-CG 3.95Å; W195-Y222 HydrophobicContact CE3-CG 3.95Å; W195-Y222 AromaticContact CZ3-CD1 3.9Å; W195-Y222 HydrophobicContact CZ3-CD1 3.9Å; W195-Y222 HydrophobicContact CZ3-CE1 4.01Å; W195-Y222 PolarHBondContact O-N 3.34Å | ||
| 196 | F | 90.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.9 | 178 | -63.2 | -84.2 | 0 | 0 | 0 | 110.9 | T155 I156 L167 T169 S194 L219 V220 P221 | T155-F196 CarbonylContact C-O 3.55Å; T155-F196 WeakPolarHBondContact CA-O 3.26Å; I156-F196 WeakPolarHBondContact CG1-O 3.48Å; I156-F196 PolarHBondContact N-O 3.13Å; I156-F196 PolarHBondContact O-N 3.27Å; L167-F196 HydrophobicContact CB-CE2 4.27Å; L167-F196 HydrophobicContact CD2-CE2 4.11Å; L167-F196 HydrophobicContact CD2-CZ 4.1Å; L167-F196 HydrophobicContact CG-CE2 4.17Å; L167-F196 HydrophobicContact CG-CZ 4.17Å; L167-F196 WeakPolarHBondContact O-CE2 3.46Å; T169-F196 HydrophobicContact CG2-CE1 3.8Å; T169-F196 HydrophobicContact CG2-CZ 3.83Å; S194-F196 WeakPolarHBondContact O-CD2 3.49Å; F196-L219 HydrophobicContact CB-CD2 4.21Å; F196-L219 HydrophobicContact CD1-CB 4.25Å; F196-V220 CarbonylContact C-O 3.58Å; F196-V220 WeakPolarHBondContact CA-O 3.31Å; F196-P221 HydrophobicContact CD1-CG 4.34Å; F196-P221 HydrophobicContact CE1-CG 4.16Å |
| 197 | V | 88.6 | Confident | 82 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.6 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | T155 E199 V220 Y222 | T155-V197 HydrophobicContact CG2-CG2 4.43Å; V197-E199 HydrophobicContact CG1-CG 4.4Å; V197-V220 PolarHBondContact N-O 2.96Å; V197-V220 PolarHBondContact O-N 3.04Å; V197-Y222 HydrophobicContact CG2-CD2 3.89Å |
| 198 | V | 88.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 109.1 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | V150 Y152 G153 T154 I156 V211 I217 L219 | V150-V198 HydrophobicContact CG1-CG2 4.43Å; Y152-V198 CarbonylContact C-O 3.45Å; Y152-V198 WeakPolarHBondContact CA-O 3.39Å; Y152-V198 HydrophobicContact CD1-CG1 4.09Å; Y152-V198 HydrophobicContact CE1-CG1 4.19Å; G153-V198 PolarHBondContact N-O 3.24Å; T154-V198 PolarHBondContact O-N 3.25Å; T154-V198 VanDerWaalsContact O-N 3.15Å; I156-V198 HydrophobicContact CD1-CG2 3.53Å; I156-V198 HydrophobicContact CG1-CG2 3.8Å; I156-V198 HydrophobicContact CG2-CG2 4.44Å; V198-V211 HydrophobicContact CG1-CG2 4.04Å; V198-I217 HydrophobicContact CG1-CB 4.11Å; V198-I217 HydrophobicContact CG1-CD1 3.92Å; V198-I217 HydrophobicContact CG1-CG2 4.01Å; V198-L219 HydrophobicContact CG2-CD2 4.24Å |
| 199 | E | 86.6 | Confident | 82.4 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.4 | 173.5 | -68.6 | -168.2 | 161.9 | 0 | 0 | 110.5 | V197 I217 C218 V220 K232 | V197-E199 HydrophobicContact CG1-CG 4.4Å; E199-I217 CarbonylContact O-C 3.32Å; E199-I217 WeakPolarHBondContact O-CA 3.43Å; E199-C218 HydrophobicContact CB-CB 4.36Å; E199-C218 PolarHBondContact N-O 2.82Å; E199-C218 PolarHBondContact O-N 2.87Å; E199-V220 HydrophobicContact CG-CG2 4.29Å; E199-K232 IonicContact OE1-NZ 3.5Å; E199-K232 PolarHBondContact OE1-NZ 3.18Å; E199-K232 IonicContact OE2-NZ 3.81Å; E199-K232 PolarHBondContact OE2-NZ 3.29Å |
| 200 | P | 86.4 | Confident | 82.9 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.2 | 175.4 | 29 | -30.6 | 0 | 0 | 0 | 110.5 | Y152 R205 | Y152-P200 HydrophobicContact CD1-CB 3.71Å; Y152-P200 VanDerWaalsContact CD1-CD 3.41Å; Y152-P200 HydrophobicContact CD1-CG 3.97Å; Y152-P200 VanDerWaalsContact CD1-N 3.29Å; Y152-P200 HydrophobicContact CE1-CB 3.52Å; Y152-P200 HydrophobicContact CE1-CG 4.3Å; Y152-P200 HydrophobicContact CG-CB 4.27Å; Y152-P200 HydrophobicContact CG-CG 4.3Å; P200-R205 HydrophobicContact CB-CB 4.1Å; P200-R205 WeakPolarHBondContact CG-O 3.47Å |
| 201 | Y | 83.6 | Confident | 83.3 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 30% | 0.302 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -68.8 | -47.8 | 177.1 | 179.5 | -95.7 | 0 | 0 | 0 | 111.2 | R216 Q257 C259 | Y201-R216 VanDerWaalsContact CB-O 3.31Å; Y201-R216 WeakPolarHBondContact CB-O 3.36Å; Y201-R216 PolarHBondContact N-O 3.14Å; Y201-Q257 HydrophobicContact CE2-CB 4.44Å; Y201-C259 HydrophobicContact CD1-CB 4.43Å; Y201-C259 HydrophobicContact CD2-CB 3.85Å; Y201-C259 HydrophobicContact CE1-CB 4.31Å; Y201-C259 HydrophobicContact CE2-CB 3.73Å; Y201-C259 HydrophobicContact CG-CB 4.22Å |
| 202 | Y | 79.1 | Confident | 83.3 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -93.7 | 137.3 | 171.7 | -58.5 | -62.5 | 0 | 0 | 0 | 110.3 | L204 R216 | Y202-L204 PolarHBondContact O-N 3.35Å; Y202-R216 HydrophobicContact CE2-CB 4.45Å; Y202-R216 VanDerWaalsContact CE2-CD 3.42Å; Y202-R216 PolarHBondContact OH-NH1 3.2Å |
| 203 | K | 73.8 | Confident | 83.1 | Confident | 209 Ų | 209 | 54.5 Ų | 54.5 | 91% | 0.909 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 21 | 175.9 | -59.5 | -176.4 | -179.8 | -179.9 | 0 | 114.4 | R205 | K203-R205 VanDerWaalsContact C-N 3.29Š|
| 204 | L | 74.3 | Confident | 82.8 | Confident | 160 Ų | 160 | 56 Ų | 56 | 84% | 0.838 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.8 | 172.9 | -68.6 | 171.1 | 0 | 0 | 0 | 112.1 | Y202 | Y202-L204 PolarHBondContact O-N 3.35Š|
| 205 | R | 79.3 | Confident | 82.6 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 34% | 0.343 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -116.3 | 147.6 | 173.1 | -57.3 | -126.1 | -155.5 | -116.2 | -7.4 | 110.1 | Y152 P200 K203 D209 V212 D215 | Y152-R205 HydrophobicContact CD2-CB 4.01Å; Y152-R205 HydrophobicContact CE2-CB 3.89Å; Y152-R205 HydrophobicContact CE2-CG 4.02Å; P200-R205 HydrophobicContact CB-CB 4.1Å; P200-R205 WeakPolarHBondContact CG-O 3.47Å; K203-R205 VanDerWaalsContact C-N 3.29Å; R205-D209 HydrophobicContact CB-CB 4.45Å; R205-V212 VanDerWaalsContact NH2-CG2 3.26Å; R205-D215 IonicContact CZ-OD1 3.8Å; R205-D215 IonicContact CZ-OD2 2.68Å; R205-D215 IonicContact NE-OD1 3.31Å; R205-D215 IonicContact NE-OD2 3.15Å; R205-D215 PolarHBondContact NE-OD2 3.28Å; R205-D215 IonicContact NH2-OD1 2.64Å; R205-D215 PolarHBondContact NH2-OD1 3.42Å; R205-D215 IonicContact NH2-OD2 3.78Å; R205-D215 PolarHBondContact NH2-OD2 3.1Å |
| 206 | S | 80.9 | Confident | 82.5 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | trans | -99.7 | 157.4 | 176.3 | 19.3 | 0 | 0 | 0 | 0 | 111.9 | Y152 G208 D209 | Y152-S206 WeakPolarHBondContact CB-O 3.45Å; S206-G208 PolarHBondContact O-N 2.85Å; S206-D209 PolarHBondContact N-OD2 3.11Å; S206-D209 WeakPolarHBondContact O-CB 3.48Å; S206-D209 PolarHBondContact O-N 3.39Å; S206-D209 VanDerWaalsContact O-N 3.1Å; S206-D209 PolarHBondContact OG-OD2 3.4Å | ||
| 207 | L | 77.4 | Confident | 82.5 | Confident | 117 Ų | 117 | 59 Ų | 59 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126 | 166.3 | -65.2 | 169.3 | 0 | 0 | 0 | 108.7 | Y152 | Y152-L207 CarbonylContact O-C 3.6Š|
| 208 | G | 79.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.8 | -22.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q151 Y152 S206 | Q151-G208 WeakPolarHBondContact CG-O 3.47Å; Y152-G208 PolarHBondContact O-N 2.93Å; S206-G208 PolarHBondContact O-N 2.85Å |
| 209 | D | 86 | Confident | 82.5 | Confident | 62 Ų | 62 | 58.8 Ų | 58.8 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -70.8 | 147.7 | 178.4 | -67.4 | -27.9 | 0 | 0 | 0 | 111.3 | Q151 Y152 R205 S206 | Q151-D209 CarbonylContact C-O 2.82Å; Q151-D209 VanDerWaalsContact CA-O 3.25Å; Q151-D209 WeakPolarHBondContact CA-O 3.44Å; Y152-D209 HydrophobicContact CD2-CB 4.14Å; Y152-D209 VanDerWaalsContact CD2-O 3.29Å; Y152-D209 WeakPolarHBondContact CD2-O 3.43Å; Y152-D209 PolarHBondContact N-O 3.49Å; R205-D209 HydrophobicContact CB-CB 4.45Å; S206-D209 PolarHBondContact N-OD2 3.11Å; S206-D209 WeakPolarHBondContact O-CB 3.48Å; S206-D209 PolarHBondContact O-N 3.39Å; S206-D209 VanDerWaalsContact O-N 3.1Å; S206-D209 PolarHBondContact OG-OD2 3.4Å |
| 210 | N | 85.9 | Confident | 82.5 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 133.9 | 175.6 | -63.1 | -24.2 | 0 | 0 | 0 | 110.6 | F21 V149 Q151 | F21-N210 HydrophobicContact CD1-CB 3.5Å; F21-N210 HydrophobicContact CE1-CB 3.75Å; F21-N210 HydrophobicContact CG-CB 4.24Å; V149-N210 HydrophobicContact CG1-CB 3.78Å; Q151-N210 VanDerWaalsContact CG-OD1 3.27Å; Q151-N210 WeakPolarHBondContact CG-OD1 3.18Å; Q151-N210 PolarHBondContact NE2-OD1 2.81Å |
| 211 | V | 86.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 129.4 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 109 | F21 L22 V150 Y152 V198 D215 I217 | F21-V211 WeakPolarHBondContact CA-O 3.24Å; L22-V211 HydrophobicContact CB-CB 4.16Å; L22-V211 HydrophobicContact CB-CG1 4.22Å; L22-V211 WeakPolarHBondContact CB-O 3.08Å; L22-V211 HydrophobicContact CD2-CB 4.35Å; L22-V211 HydrophobicContact CD2-CG1 3.88Å; L22-V211 PolarHBondContact N-O 2.98Å; V150-V211 HydrophobicContact CG1-CG2 4.12Å; V150-V211 WeakPolarHBondContact O-CG2 3.44Å; V150-V211 PolarHBondContact O-N 2.89Å; Y152-V211 HydrophobicContact CD1-CG2 4.02Å; Y152-V211 HydrophobicContact CD2-CG2 3.85Å; Y152-V211 HydrophobicContact CE1-CG2 3.99Å; Y152-V211 HydrophobicContact CE2-CB 4.18Å; Y152-V211 HydrophobicContact CE2-CG1 4.47Å; Y152-V211 HydrophobicContact CE2-CG2 3.75Å; Y152-V211 HydrophobicContact CG-CG2 3.98Å; V198-V211 HydrophobicContact CG1-CG2 4.04Å; V211-D215 HydrophobicContact CG1-CB 4.43Å; V211-I217 HydrophobicContact CG1-CG2 4.31Å |
| 212 | V | 81.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 140.1 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 110 | F21 R205 G214 D215 | F21-V212 HydrophobicContact CD1-CG2 4.06Å; F21-V212 HydrophobicContact CE1-CG2 4.16Å; R205-V212 VanDerWaalsContact NH2-CG2 3.26Å; V212-G214 PolarHBondContact O-N 3.04Å; V212-D215 PolarHBondContact N-OD2 3.36Å; V212-D215 WeakPolarHBondContact O-CB 3.1Å; V212-D215 PolarHBondContact O-N 3.21Å |
| 213 | A | 75.2 | Confident | 82.2 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 21% | 0.207 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 126.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T20 L264 | T20-A213 WeakPolarHBondContact O-CB 3.14Å; T20-A213 PolarHBondContact O-N 3.43Å; A213-L264 HydrophobicContact CB-CB 3.9Å; A213-L264 HydrophobicContact CB-CD2 4.1Å |
| 214 | G | 77.3 | Confident | 81.9 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -11.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V212 V262 | V212-G214 PolarHBondContact O-N 3.04Å; G214-V262 VanDerWaalsContact CA-O 3.25Å; G214-V262 WeakPolarHBondContact CA-O 3.44Å; G214-V262 PolarHBondContact N-O 3.39Å |
| 215 | D | 85.7 | Confident | 81.2 | Confident | 28 Ų | 28 | 38.6 Ų | 38.6 | 15% | 0.15 | 22% | 0.215 | C | C | . | . | trans | -61.5 | 155.3 | 174.5 | -82.4 | -5.3 | 0 | 0 | 0 | 111.6 | Y152 R205 V211 V212 V262 | Y152-D215 WeakPolarHBondContact OH-CB 3.45Å; Y152-D215 VanDerWaalsContact OH-CG 3.31Å; Y152-D215 PolarHBondContact OH-OD2 2.9Å; R205-D215 IonicContact CZ-OD1 3.8Å; R205-D215 IonicContact CZ-OD2 2.68Å; R205-D215 IonicContact NE-OD1 3.31Å; R205-D215 IonicContact NE-OD2 3.15Å; R205-D215 PolarHBondContact NE-OD2 3.28Å; R205-D215 IonicContact NH2-OD1 2.64Å; R205-D215 PolarHBondContact NH2-OD1 3.42Å; R205-D215 IonicContact NH2-OD2 3.78Å; R205-D215 PolarHBondContact NH2-OD2 3.1Å; V211-D215 HydrophobicContact CG1-CB 4.43Å; V212-D215 PolarHBondContact N-OD2 3.36Å; V212-D215 WeakPolarHBondContact O-CB 3.1Å; V212-D215 PolarHBondContact O-N 3.21Å; D215-V262 PolarHBondContact O-N 3.34Å; D215-V262 VanDerWaalsContact O-N 3.07Å | ||
| 216 | R | 86 | Confident | 80.4 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 33% | 0.328 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.5 | 177.2 | -72.5 | 165.5 | 171.7 | 156 | 7.8 | 110 | E33 Y201 Y202 C259 Q261 | E33-R216 IonicContact OE1-NH2 2.64Å; E33-R216 PolarHBondContact OE1-NH2 3.12Å; E33-R216 IonicContact OE2-CZ 2.73Å; E33-R216 IonicContact OE2-NE 3.42Å; E33-R216 PolarHBondContact OE2-NE 2.72Å; E33-R216 IonicContact OE2-NH2 3.19Å; E33-R216 PolarHBondContact OE2-NH2 2.82Å; Y201-R216 VanDerWaalsContact CB-O 3.31Å; Y201-R216 WeakPolarHBondContact CB-O 3.36Å; Y201-R216 PolarHBondContact N-O 3.14Å; Y202-R216 HydrophobicContact CE2-CB 4.45Å; Y202-R216 VanDerWaalsContact CE2-CD 3.42Å; Y202-R216 PolarHBondContact OH-NH1 3.2Å; R216-C259 VanDerWaalsContact CG-SG 3.59Å; R216-Q261 HydrophobicContact CG-CB 4.47Å |
| 217 | I | 89.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 160.7 | -172.3 | 71.8 | 168 | 0 | 0 | 0 | 112.3 | Y152 V198 E199 V211 L219 W260 V262 | Y152-I217 HydrophobicContact CE1-CG2 3.84Å; V198-I217 HydrophobicContact CG1-CB 4.11Å; V198-I217 HydrophobicContact CG1-CD1 3.92Å; V198-I217 HydrophobicContact CG1-CG2 4.01Å; E199-I217 CarbonylContact O-C 3.32Å; E199-I217 WeakPolarHBondContact O-CA 3.43Å; V211-I217 HydrophobicContact CG1-CG2 4.31Å; I217-L219 HydrophobicContact CD1-CD2 3.83Å; I217-L219 HydrophobicContact CD1-CG 4.08Å; I217-W260 HydrophobicContact CG1-CB 4.23Å; I217-W260 WeakPolarHBondContact CG1-O 3.44Å; I217-W260 PolarHBondContact N-O 3.14Å; I217-W260 PolarHBondContact O-N 2.79Å; I217-V262 HydrophobicContact CB-CG2 4.49Å; I217-V262 HydrophobicContact CD1-CG2 3.38Å; I217-V262 HydrophobicContact CG1-CG2 3.6Å; I217-V262 HydrophobicContact CG2-CG2 4.09Å |
| 218 | C | 87 | Confident | 78.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.4 | 163.9 | -64.1 | 0 | 0 | 0 | 0 | 108.9 | E199 | E199-C218 HydrophobicContact CB-CB 4.36Å; E199-C218 PolarHBondContact N-O 2.82Å; E199-C218 PolarHBondContact O-N 2.87Å |
| 219 | L | 89.5 | Confident | 77.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 107.2 | 175.9 | -70.2 | 170.9 | 0 | 0 | 0 | 109.7 | L30 I156 L158 F196 V198 I217 L235 | L30-L219 HydrophobicContact CD1-CD1 3.68Å; I156-L219 HydrophobicContact CD1-CD2 4.46Å; L158-L219 HydrophobicContact CD1-CD1 3.8Å; F196-L219 HydrophobicContact CB-CD2 4.21Å; F196-L219 HydrophobicContact CD1-CB 4.25Å; V198-L219 HydrophobicContact CG2-CD2 4.24Å; I217-L219 HydrophobicContact CD1-CD2 3.83Å; I217-L219 HydrophobicContact CD1-CG 4.08Å; L219-L235 HydrophobicContact CB-CB 4.1Å; L219-L235 HydrophobicContact CB-CD2 4.47Å; L219-L235 HydrophobicContact CD1-CD2 3.93Å; L219-L235 PolarHBondContact O-N 3.43Å |
| 220 | V | 86.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.4 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | F196 V197 E199 Y222 V224 Q234 | F196-V220 CarbonylContact C-O 3.58Å; F196-V220 WeakPolarHBondContact CA-O 3.31Å; V197-V220 PolarHBondContact N-O 2.96Å; V197-V220 PolarHBondContact O-N 3.04Å; E199-V220 HydrophobicContact CG-CG2 4.29Å; V220-Y222 PolarHBondContact O-N 3.29Å; V220-V224 HydrophobicContact CG1-CB 4.16Å; V220-V224 HydrophobicContact CG1-CG1 4.32Å; V220-Q234 HydrophobicContact CG2-CB 4.19Å |
| 221 | P | 86.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 134.9 | 175.5 | -22.7 | 32.3 | 0 | 0 | 0 | 112 | T169 W195 F196 Y223 V224 S225 H233 C253 | T169-P221 HydrophobicContact CG2-CG 3.93Å; W195-P221 CarbonylContact O-C 3.56Å; W195-P221 WeakPolarHBondContact O-CA 3.41Å; F196-P221 HydrophobicContact CD1-CG 4.34Å; F196-P221 HydrophobicContact CE1-CG 4.16Å; P221-Y223 VanDerWaalsContact C-N 3.27Å; P221-Y223 HydrophobicContact CB-CD1 3.78Å; P221-Y223 HydrophobicContact CB-CE1 3.25Å; P221-Y223 HydrophobicContact CG-CE1 4.22Å; P221-Y223 PolarHBondContact O-N 2.95Å; P221-Y223 VanDerWaalsContact O-N 3.12Å; P221-V224 HydrophobicContact CB-CG2 4.29Å; P221-V224 WeakPolarHBondContact O-CB 3.06Å; P221-V224 PolarHBondContact O-N 3.46Å; P221-S225 PolarHBondContact O-N 2.98Å; P221-H233 WeakPolarHBondContact CD-O 3.37Å; P221-C253 VanDerWaalsContact CG-SG 3.52Å |
| 222 | Y | 82.5 | Confident | 73.5 | Confident | 73 Ų | 73 | 51 Ų | 51 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.6 | -38.3 | -170.6 | 178.5 | -98.2 | 0 | 0 | 0 | 114.3 | T155 W195 V197 V220 V224 S225 Q226 | T155-Y222 HydrophobicContact CG2-CD2 3.77Å; T155-Y222 HydrophobicContact CG2-CG 4.25Å; T155-Y222 WeakPolarHBondContact OG1-CD2 3.35Å; W195-Y222 HydrophobicContact CB-CG 4.34Å; W195-Y222 AromaticContact CE3-CD1 3.47Å; W195-Y222 HydrophobicContact CE3-CD1 3.47Å; W195-Y222 VanDerWaalsContact CE3-CD1 3.47Å; W195-Y222 HydrophobicContact CE3-CE1 4.01Å; W195-Y222 AromaticContact CE3-CG 3.95Å; W195-Y222 HydrophobicContact CE3-CG 3.95Å; W195-Y222 AromaticContact CZ3-CD1 3.9Å; W195-Y222 HydrophobicContact CZ3-CD1 3.9Å; W195-Y222 HydrophobicContact CZ3-CE1 4.01Å; W195-Y222 PolarHBondContact O-N 3.34Å; V197-Y222 HydrophobicContact CG2-CD2 3.89Å; V220-Y222 PolarHBondContact O-N 3.29Å; Y222-V224 PolarHBondContact O-N 3.36Å; Y222-S225 WeakPolarHBondContact O-CB 3.34Å; Y222-S225 PolarHBondContact O-N 3.17Å; Y222-S225 VanDerWaalsContact O-N 3.14Å; Y222-Q226 HydrophobicContact CE1-CG 4.25Å; Y222-Q226 VanDerWaalsContact CE1-NE2 3.28Å; Y222-Q226 PolarHBondContact OH-NE2 2.85Å |
| 223 | Y | 74.8 | Confident | 73.4 | Confident | 48 Ų | 48 | 53 Ų | 53 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -23.3 | 179.5 | 63.9 | -89.7 | 0 | 0 | 0 | 113.6 | K171 M182 P221 | K171-Y223 HydrophobicContact CD-CD1 4.5Å; K171-Y223 HydrophobicContact CG-CE1 4.22Å; M182-Y223 WeakPolarHBondContact CE-OH 3.2Å; M182-Y223 HydrophobicContact SD-CE2 4.38Å; M182-Y223 PolarHBondContact SD-OH 3.35Å; P221-Y223 VanDerWaalsContact C-N 3.27Å; P221-Y223 HydrophobicContact CB-CD1 3.78Å; P221-Y223 HydrophobicContact CB-CE1 3.25Å; P221-Y223 HydrophobicContact CG-CE1 4.22Å; P221-Y223 PolarHBondContact O-N 2.95Å; P221-Y223 VanDerWaalsContact O-N 3.12Å |
| 224 | V | 68 | Low | 73.9 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.9 | -37.5 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | V220 P221 Y222 Q226 L227 H233 | V220-V224 HydrophobicContact CG1-CB 4.16Å; V220-V224 HydrophobicContact CG1-CG1 4.32Å; P221-V224 HydrophobicContact CB-CG2 4.29Å; P221-V224 WeakPolarHBondContact O-CB 3.06Å; P221-V224 PolarHBondContact O-N 3.46Å; Y222-V224 PolarHBondContact O-N 3.36Å; V224-Q226 PolarHBondContact O-N 2.94Å; V224-L227 PolarHBondContact O-N 2.94Å; V224-H233 HydrophobicContact CG2-CB 4.11Å |
| 225 | S | 59.7 | Low | 74.5 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -24.3 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 114 | P221 Y222 | P221-S225 PolarHBondContact O-N 2.98Å; Y222-S225 WeakPolarHBondContact O-CB 3.34Å; Y222-S225 PolarHBondContact O-N 3.17Å; Y222-S225 VanDerWaalsContact O-N 3.14Å |
| 226 | Q | 61.1 | Low | 74.5 | Confident | 126 Ų | 126 | 50 Ų | 50 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -18.1 | -177.7 | -69.8 | -165.6 | -25.4 | 0 | 0 | 114.5 | Y222 V224 P228 | Y222-Q226 HydrophobicContact CE1-CG 4.25Å; Y222-Q226 VanDerWaalsContact CE1-NE2 3.28Å; Y222-Q226 PolarHBondContact OH-NE2 2.85Å; V224-Q226 PolarHBondContact O-N 2.94Å; Q226-P228 WeakPolarHBondContact O-CD 3.46Å |
| 227 | L | 58 | Low | 74.4 | Confident | 104 Ų | 104 | 45.9 Ų | 45.9 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -93.8 | 108.6 | -176.4 | -85.3 | 130.1 | 0 | 0 | 0 | 111 | V224 G229 | V224-L227 PolarHBondContact O-N 2.94Å; L227-G229 PolarHBondContact O-N 2.83Å |
| 228 | P | 52 | Low | 74 | Confident | 127 Ų | 127 | 45.7 Ų | 45.7 | 83% | 0.825 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 127.6 | 176.3 | -8.1 | 24.9 | 0 | 0 | 0 | 109.7 | Q226 | Q226-P228 WeakPolarHBondContact O-CD 3.46Š|
| 229 | G | 58 | Low | 73.4 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 95% | 0.948 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -0.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L227 | L227-G229 PolarHBondContact O-N 2.83Š|
| 230 | S | 54 | Low | 72.7 | Confident | 57 Ų | 57 | 53.5 Ų | 53.5 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -87.1 | 152.2 | 177.2 | -62 | 0 | 0 | 0 | 0 | 112.4 | K232 | S230-K232 PolarHBondContact O-N 2.78Š|
| 231 | V | 61.2 | Low | 72 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 52% | 0.515 | 33% | 0.333 | S | S | . | . | trans | -52 | 112.5 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | H233 N255 | V231-H233 PolarHBondContact O-N 2.94Å; V231-H233 PolarHBondContact O-ND1 3.29Å; V231-N255 HydrophobicContact CG1-CB 3.33Å | ||
| 232 | K | 68 | Low | 71.1 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | trans | -72.8 | 87.3 | -178.7 | -75 | -166.6 | 172.3 | -159.6 | 0 | 110.8 | E199 S230 | E199-K232 IonicContact OE1-NZ 3.5Å; E199-K232 PolarHBondContact OE1-NZ 3.18Å; E199-K232 IonicContact OE2-NZ 3.81Å; E199-K232 PolarHBondContact OE2-NZ 3.29Å; S230-K232 PolarHBondContact O-N 2.78Å | ||
| 233 | H | 80.4 | Confident | 70.3 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | trans | -67.2 | 137 | 166.5 | -58.2 | 78.4 | 0 | 0 | 0 | 109.8 | M182 P221 V224 V231 L254 | M182-H233 HydrophobicContact CE-CB 3.7Å; P221-H233 WeakPolarHBondContact CD-O 3.37Å; V224-H233 HydrophobicContact CG2-CB 4.11Å; V231-H233 PolarHBondContact O-N 2.94Å; V231-H233 PolarHBondContact O-ND1 3.29Å; H233-L254 CarbonylContact C-O 3.58Å; H233-L254 WeakPolarHBondContact CA-O 3.4Å | ||
| 234 | Q | 85.8 | Confident | 69.5 | Low | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.028 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 168 | -178.6 | 69.2 | -153.3 | -54.2 | 0 | 0 | 110.8 | V220 H236 C253 L254 E256 Q257 | V220-Q234 HydrophobicContact CG2-CB 4.19Å; Q234-H236 PolarHBondContact O-N 2.77Å; Q234-C253 VanDerWaalsContact C-SG 3.55Å; Q234-C253 CarbonylContact O-C 3.47Å; Q234-C253 VanDerWaalsContact O-CA 3.28Å; Q234-C253 WeakPolarHBondContact O-CA 3.38Å; Q234-C253 PolarHBondContact O-SG 3.36Å; Q234-C253 VanDerWaalsContact O-SG 3.38Å; Q234-L254 PolarHBondContact N-O 2.88Å; Q234-L254 PolarHBondContact O-N 3.49Å; Q234-L254 VanDerWaalsContact O-O 3.08Å; Q234-E256 VanDerWaalsContact CG-O 3.32Å; Q234-E256 WeakPolarHBondContact CG-O 3.47Å; Q234-E256 PolarHBondContact NE2-O 3.24Å; Q234-E256 VanDerWaalsContact NE2-O 3.14Å; Q234-Q257 VanDerWaalsContact NE2-N 3.17Å |
| 235 | L | 88.7 | Confident | 69.3 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 117.8 | 177.1 | -166.5 | 72 | 0 | 0 | 0 | 110.4 | L167 V184 L219 V251 W260 | L167-L235 HydrophobicContact CD2-CD1 4.48Å; L167-L235 HydrophobicContact CD2-CD2 4.16Å; V184-L235 HydrophobicContact CG1-CD1 4.26Å; V184-L235 HydrophobicContact CG2-CD1 4.04Å; L219-L235 HydrophobicContact CB-CB 4.1Å; L219-L235 HydrophobicContact CB-CD2 4.47Å; L219-L235 HydrophobicContact CD1-CD2 3.93Å; L219-L235 PolarHBondContact O-N 3.43Å; L235-V251 HydrophobicContact CD1-CG1 3.66Å; L235-V251 HydrophobicContact CD2-CG1 4.45Å; L235-V251 HydrophobicContact CG-CG1 3.92Å; L235-W260 HydrophobicContact CD2-CZ2 3.92Å; L235-W260 HydrophobicContact CG-CZ2 4.06Å; L235-W260 PolarHBondContact O-NE1 3.48Å; L235-W260 VanDerWaalsContact O-NE1 3.08Å |
| 236 | H | 86.6 | Confident | 69.5 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 6% | 0.06 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.2 | -171.3 | 177.3 | 75.2 | 0 | 0 | 0 | 112.2 | Q234 V251 N252 L254 E256 T258 | Q234-H236 PolarHBondContact O-N 2.77Å; H236-V251 WeakPolarHBondContact O-CA 3.4Å; H236-N252 PolarHBondContact CD2-OD1 2.76Å; H236-N252 PolarHBondContact N-O 3.21Å; H236-N252 PolarHBondContact O-N 3.44Å; H236-N252 VanDerWaalsContact O-O 3.11Å; H236-N252 PolarHBondContact O-OD1 2.74Å; H236-N252 VanDerWaalsContact O-OD1 3.09Å; H236-L254 HydrophobicContact CB-CB 3.96Å; H236-E256 IonicContact CE1-OE2 3.88Å; H236-E256 PolarHBondContact CE1-OE2 3.44Å; H236-E256 IonicContact NE2-OE2 2.96Å; H236-T258 VanDerWaalsContact CA-OG1 3.32Å; H236-T258 WeakPolarHBondContact CA-OG1 3.35Å; H236-T258 PolarHBondContact ND1-OG1 3.41Å |
| 237 | V | 84.5 | Confident | 69.9 | Low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110.8 | 172.8 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | A32 T38 V54 K249 V251 T258 W260 | A32-V237 HydrophobicContact CB-CG2 3.91Å; T38-V237 HydrophobicContact CG2-CG1 4.49Å; V54-V237 HydrophobicContact CB-CG1 3.98Å; V54-V237 HydrophobicContact CB-CG2 4.33Å; V54-V237 HydrophobicContact CG1-CG1 4.44Å; V54-V237 HydrophobicContact CG2-CG1 4.25Å; V54-V237 HydrophobicContact CG2-CG2 3.68Å; V237-K249 HydrophobicContact CG1-CB 4.2Å; V237-V251 HydrophobicContact CG2-CG2 4.32Å; V237-T258 HydrophobicContact CB-CG2 4.35Å; V237-T258 HydrophobicContact CG2-CG2 3.98Å; V237-T258 PolarHBondContact N-OG1 3Å; V237-W260 HydrophobicContact CG2-CH2 3.51Å; V237-W260 HydrophobicContact CG2-CZ2 3.64Å; V237-W260 HydrophobicContact CG2-CZ3 4.45Å |
| 238 | S | 81.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 141.9 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | L240 K249 E250 | S238-L240 PolarHBondContact O-N 3.33Å; S238-L240 PolarHBondContact OG-N 2.99Å; S238-K249 WeakPolarHBondContact O-CD 3.27Å; S238-E250 VanDerWaalsContact CB-O 3.29Å; S238-E250 WeakPolarHBondContact CB-O 3.45Å; S238-E250 PolarHBondContact N-O 3.38Å |
| 239 | S | 74.1 | Confident | 71.9 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -18 | 170.5 | 58.9 | 0 | 0 | 0 | 0 | 112.7 | K249 | S239-K249 WeakPolarHBondContact O-CE 3.42Å; S239-K249 PolarHBondContact O-NZ 3.15Å; S239-K249 VanDerWaalsContact O-NZ 3.17Å |
| 240 | L | 75 | Confident | 73.2 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.5 | -175.2 | -59.8 | 165.6 | 0 | 0 | 0 | 112.1 | V177 D178 S238 | V177-L240 HydrophobicContact CG1-CB 3.43Å; V177-L240 VanDerWaalsContact CG1-CB 3.43Å; V177-L240 HydrophobicContact CG1-CD1 3.98Å; V177-L240 HydrophobicContact CG1-CG 4.32Å; D178-L240 HydrophobicContact CB-CD1 4.4Å; S238-L240 PolarHBondContact O-N 3.33Å; S238-L240 PolarHBondContact OG-N 2.99Å |
| 241 | S | 71 | Confident | 74.7 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 43% | 0.427 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 148.5 | 174.3 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | K246 | S241-K246 PolarHBondContact OG-O 2.75Å |
| 242 | L | 68.4 | Low | 76.1 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 142 | 171.1 | -75.6 | 161.7 | 0 | 0 | 0 | 111.4 | L45 V53 V177 E244 D245 S248 | L45-L242 HydrophobicContact CD1-CD1 4.19Å; V53-L242 HydrophobicContact CG1-CD1 3.52Å; V177-L242 HydrophobicContact CG2-CD2 3.59Å; V177-L242 HydrophobicContact CG2-CG 4.39Å; L242-E244 VanDerWaalsContact C-N 3.3Å; L242-E244 PolarHBondContact O-N 2.77Å; L242-D245 CarbonylContact O-C 3.42Å; L242-S248 PolarHBondContact N-O 2.92Å |
| 243 | T | 64.4 | Low | 77.1 | Confident | 125 Ų | 125 | 41.7 Ų | 41.7 | 77% | 0.767 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -66.6 | -31.4 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 244 | E | 59.4 | Low | 77.3 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -86 | -32.3 | -176.3 | -60.4 | -179.6 | 141.4 | 0 | 0 | 113.1 | R51 L242 | R51-E244 IonicContact CZ-OE2 2.71Å; R51-E244 IonicContact NH1-OE2 3.89Å; R51-E244 PolarHBondContact NH1-OE2 3.38Å; R51-E244 IonicContact NH2-OE2 3.66Å; R51-E244 PolarHBondContact NH2-OE2 2.84Å; L242-E244 VanDerWaalsContact C-N 3.3Å; L242-E244 PolarHBondContact O-N 2.77Å |
| 245 | D | 62.7 | Low | 77 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | trans | -137.5 | 91 | -176.9 | -173 | 9 | 0 | 0 | 0 | 108.8 | R55 L242 E247 S248 | R55-D245 IonicContact CZ-OD2 3.27Å; R55-D245 IonicContact NE-OD2 3.86Å; R55-D245 PolarHBondContact NE-OD2 3.29Å; R55-D245 IonicContact NH2-OD2 2.65Å; R55-D245 PolarHBondContact NH2-OD2 2.9Å; L242-D245 CarbonylContact O-C 3.42Å; D245-E247 PolarHBondContact O-N 3.39Å; D245-S248 VanDerWaalsContact CG-OG 3.32Å; D245-S248 PolarHBondContact O-N 3.37Å; D245-S248 PolarHBondContact OD2-OG 3.47Å | ||
| 246 | K | 65.6 | Low | 76.5 | Confident | 178 Ų | 178 | 48.8 Ų | 48.8 | 77% | 0.774 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.4 | -173.3 | -71 | -173.6 | 176.4 | -176.2 | 0 | 113.6 | S241 S248 | S241-K246 PolarHBondContact OG-O 2.75Å; K246-S248 VanDerWaalsContact C-N 3.34Å |
| 247 | E | 67.6 | Low | 76 | Confident | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.3 | 177.6 | -64.7 | -169.7 | -175.2 | 0 | 0 | 113.3 | P56 S57 D245 | P56-E247 VanDerWaalsContact CD-O 3.31Å; P56-E247 WeakPolarHBondContact CD-O 3.47Å; S57-E247 PolarHBondContact OG-OE2 2.87Å; D245-E247 PolarHBondContact O-N 3.39Å |
| 248 | S | 75.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -99.8 | 132.6 | -176.8 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | R55 L242 D245 K246 | R55-S248 VanDerWaalsContact CG-OG 3.31Å; R55-S248 WeakPolarHBondContact CG-OG 3.4Å; R55-S248 VanDerWaalsContact CZ-OG 3.3Å; R55-S248 PolarHBondContact NE-OG 3.36Å; R55-S248 PolarHBondContact NH2-OG 2.85Å; L242-S248 PolarHBondContact N-O 2.92Å; D245-S248 VanDerWaalsContact CG-OG 3.32Å; D245-S248 PolarHBondContact O-N 3.37Å; D245-S248 PolarHBondContact OD2-OG 3.47Å; K246-S248 VanDerWaalsContact C-N 3.34Å | ||
| 249 | K | 78 | Confident | 76.1 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.7 | 172.5 | -71.1 | -176.8 | 159.1 | -161.9 | 0 | 110.6 | A37 V53 V54 P56 V237 S238 S239 | A37-K249 VanDerWaalsContact O-CD 3.29Å; A37-K249 WeakPolarHBondContact O-CD 3.08Å; A37-K249 WeakPolarHBondContact O-CE 3.49Å; A37-K249 PolarHBondContact O-NZ 3.03Å; V53-K249 CarbonylContact C-O 3.48Å; V53-K249 WeakPolarHBondContact CA-O 3.23Å; V53-K249 VanDerWaalsContact CB-O 3.25Å; V53-K249 WeakPolarHBondContact CB-O 3.46Å; V54-K249 PolarHBondContact N-O 2.66Å; V54-K249 PolarHBondContact O-N 3Å; P56-K249 HydrophobicContact CG-CD 4.47Å; V237-K249 HydrophobicContact CG1-CB 4.2Å; S238-K249 WeakPolarHBondContact O-CD 3.27Å; S239-K249 WeakPolarHBondContact O-CE 3.42Å; S239-K249 PolarHBondContact O-NZ 3.15Å; S239-K249 VanDerWaalsContact O-NZ 3.17Å |
| 250 | E | 84.1 | Confident | 76.9 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 130.7 | 179.9 | -173.1 | 174.8 | -148.7 | 0 | 0 | 110.1 | R176 V177 S238 | R176-E250 PolarHBondContact N-OE1 3.31Å; R176-E250 VanDerWaalsContact N-OE1 3.11Å; R176-E250 PolarHBondContact N-OE2 2.91Å; V177-E250 WeakPolarHBondContact CB-OE2 3.36Å; V177-E250 HydrophobicContact CG2-CB 4.34Å; V177-E250 WeakPolarHBondContact CG2-OE2 3.45Å; V177-E250 PolarHBondContact N-OE2 2.93Å; S238-E250 VanDerWaalsContact CB-O 3.29Å; S238-E250 WeakPolarHBondContact CB-O 3.45Å; S238-E250 PolarHBondContact N-O 3.38Å |
| 251 | V | 86.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.1 | 167.1 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | L42 C52 V54 L235 H236 V237 W260 | L42-V251 HydrophobicContact CD1-CB 4.17Å; L42-V251 HydrophobicContact CD1-CG1 4.03Å; L42-V251 HydrophobicContact CD1-CG2 3.71Å; C52-V251 HydrophobicContact CB-CB 4.05Å; C52-V251 PolarHBondContact O-N 3.07Å; V54-V251 HydrophobicContact CB-CG2 4.47Å; V54-V251 HydrophobicContact CG2-CG2 3.68Å; L235-V251 HydrophobicContact CD1-CG1 3.66Å; L235-V251 HydrophobicContact CD2-CG1 4.45Å; L235-V251 HydrophobicContact CG-CG1 3.92Å; H236-V251 WeakPolarHBondContact O-CA 3.4Å; V237-V251 HydrophobicContact CG2-CG2 4.32Å; V251-W260 HydrophobicContact CG1-CZ2 4.41Å; V251-W260 HydrophobicContact CG2-CH2 4.42Å |
| 252 | N | 89.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | -174.2 | -176.2 | 61.5 | 11.1 | 0 | 0 | 0 | 109.4 | A175 D178 A181 H236 | A175-N252 HydrophobicContact CB-CB 3.85Å; D178-N252 VanDerWaalsContact CB-ND2 3.27Å; D178-N252 WeakPolarHBondContact CB-ND2 3.1Å; D178-N252 PolarHBondContact OD2-ND2 2.67Å; D178-N252 VanDerWaalsContact OD2-ND2 3.11Å; A181-N252 HydrophobicContact CB-CB 3.64Å; A181-N252 VanDerWaalsContact CB-CG 3.41Å; A181-N252 WeakPolarHBondContact CB-ND2 3.42Å; H236-N252 PolarHBondContact CD2-OD1 2.76Å; H236-N252 PolarHBondContact N-O 3.21Å; H236-N252 PolarHBondContact O-N 3.44Å; H236-N252 VanDerWaalsContact O-O 3.11Å; H236-N252 PolarHBondContact O-OD1 2.74Å; H236-N252 VanDerWaalsContact O-OD1 3.09Å |
| 253 | C | 88.3 | Confident | 79 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.2 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | T169 M182 V184 P221 Q234 | T169-C253 HydrophobicContact CG2-CB 4.07Å; M182-C253 HydrophobicContact CB-CB 4.16Å; M182-C253 HydrophobicContact CE-CB 4.07Å; M182-C253 PolarHBondContact N-O 3.41Å; M182-C253 PolarHBondContact O-N 3.27Å; V184-C253 HydrophobicContact CG2-CB 4.16Å; P221-C253 VanDerWaalsContact CG-SG 3.52Å; Q234-C253 VanDerWaalsContact C-SG 3.55Å; Q234-C253 CarbonylContact O-C 3.47Å; Q234-C253 VanDerWaalsContact O-CA 3.28Å; Q234-C253 WeakPolarHBondContact O-CA 3.38Å; Q234-C253 PolarHBondContact O-SG 3.36Å; Q234-C253 VanDerWaalsContact O-SG 3.38Å |
| 254 | L | 85.6 | Confident | 80 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 167.1 | -170.5 | -172 | 62 | 0 | 0 | 0 | 110.2 | A181 H233 Q234 H236 E256 | A181-L254 HydrophobicContact CB-CB 4.08Å; A181-L254 HydrophobicContact CB-CD1 4.15Å; H233-L254 CarbonylContact C-O 3.58Å; H233-L254 WeakPolarHBondContact CA-O 3.4Å; Q234-L254 PolarHBondContact N-O 2.88Å; Q234-L254 PolarHBondContact O-N 3.49Å; Q234-L254 VanDerWaalsContact O-O 3.08Å; H236-L254 HydrophobicContact CB-CB 3.96Å; L254-E256 HydrophobicContact CD2-CG 4.27Å; L254-E256 PolarHBondContact O-N 3.34Å |
| 255 | N | 79.4 | Confident | 81 | Confident | 85 Ų | 85 | 37 Ų | 37 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -72.7 | -2.4 | 178.8 | 65.8 | -13.2 | 0 | 0 | 0 | 115.5 | V231 | V231-N255 HydrophobicContact CG1-CB 3.33Š|
| 256 | E | 78.8 | Confident | 82 | Confident | 110 Ų | 110 | 35 Ų | 35 | 51% | 0.514 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -87.6 | 135 | 179.2 | -69.3 | -170.2 | -177.7 | 0 | 0 | 112.8 | Q234 H236 L254 T258 | Q234-E256 VanDerWaalsContact CG-O 3.32Å; Q234-E256 WeakPolarHBondContact CG-O 3.47Å; Q234-E256 PolarHBondContact NE2-O 3.24Å; Q234-E256 VanDerWaalsContact NE2-O 3.14Å; H236-E256 IonicContact CE1-OE2 3.88Å; H236-E256 PolarHBondContact CE1-OE2 3.44Å; H236-E256 IonicContact NE2-OE2 2.96Å; L254-E256 HydrophobicContact CD2-CG 4.27Å; L254-E256 PolarHBondContact O-N 3.34Å; E256-T258 PolarHBondContact O-N 3.47Å |
| 257 | Q | 75.1 | Confident | 82.7 | Confident | 122 Ų | 122 | 28.7 Ų | 28.7 | 57% | 0.57 | 14% | 0.139 | S | C | * | . | trans | -76.5 | 118.7 | -179.8 | -74.4 | -175.3 | -21.2 | 0 | 0 | 111.3 | Y201 Q234 | Y201-Q257 HydrophobicContact CE2-CB 4.44Å; Q234-Q257 VanDerWaalsContact NE2-N 3.17Å | ||
| 258 | T | 83.2 | Confident | 83.3 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | trans | -107.1 | 129.8 | 169.1 | -48.3 | 0 | 0 | 0 | 0 | 109 | A32 H236 V237 E256 W260 | A32-T258 HydrophobicContact CB-CG2 4.14Å; H236-T258 VanDerWaalsContact CA-OG1 3.32Å; H236-T258 WeakPolarHBondContact CA-OG1 3.35Å; H236-T258 PolarHBondContact ND1-OG1 3.41Å; V237-T258 HydrophobicContact CB-CG2 4.35Å; V237-T258 HydrophobicContact CG2-CG2 3.98Å; V237-T258 PolarHBondContact N-OG1 3Å; E256-T258 PolarHBondContact O-N 3.47Å; T258-W260 HydrophobicContact CG2-CZ2 4.38Å; T258-W260 PolarHBondContact O-N 3.38Å | ||
| 259 | C | 85.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 112.3 | 178.4 | -179 | 0 | 0 | 0 | 0 | 109.4 | A32 E33 Y201 R216 | A32-C259 WeakPolarHBondContact CA-O 3.27Å; E33-C259 HydrophobicContact CB-CB 4.33Å; E33-C259 PolarHBondContact N-O 3.44Å; Y201-C259 HydrophobicContact CD1-CB 4.43Å; Y201-C259 HydrophobicContact CD2-CB 3.85Å; Y201-C259 HydrophobicContact CE1-CB 4.31Å; Y201-C259 HydrophobicContact CE2-CB 3.73Å; Y201-C259 HydrophobicContact CG-CB 4.22Å; R216-C259 VanDerWaalsContact CG-SG 3.59Å |
| 260 | W | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.5 | 174.7 | -63.7 | 97.5 | 0 | 0 | 0 | 109.8 | L30 Y31 A32 L42 V54 I217 L235 V237 V251 T258 | L30-W260 HydrophobicContact CB-CE3 3.76Å; L30-W260 HydrophobicContact CB-CZ3 4.27Å; Y31-W260 CarbonylContact O-C 3.56Å; Y31-W260 WeakPolarHBondContact O-CA 3.44Å; A32-W260 HydrophobicContact CB-CE3 3.95Å; A32-W260 HydrophobicContact CB-CH2 4.09Å; A32-W260 HydrophobicContact CB-CZ3 3.69Å; L42-W260 HydrophobicContact CB-CH2 4.27Å; L42-W260 HydrophobicContact CB-CZ3 3.86Å; L42-W260 HydrophobicContact CD1-CH2 4.27Å; V54-W260 HydrophobicContact CG2-CH2 3.98Å; V54-W260 HydrophobicContact CG2-CZ3 4.31Å; I217-W260 HydrophobicContact CG1-CB 4.23Å; I217-W260 WeakPolarHBondContact CG1-O 3.44Å; I217-W260 PolarHBondContact N-O 3.14Å; I217-W260 PolarHBondContact O-N 2.79Å; L235-W260 HydrophobicContact CD2-CZ2 3.92Å; L235-W260 HydrophobicContact CG-CZ2 4.06Å; L235-W260 PolarHBondContact O-NE1 3.48Å; L235-W260 VanDerWaalsContact O-NE1 3.08Å; V237-W260 HydrophobicContact CG2-CH2 3.51Å; V237-W260 HydrophobicContact CG2-CZ2 3.64Å; V237-W260 HydrophobicContact CG2-CZ3 4.45Å; V251-W260 HydrophobicContact CG1-CZ2 4.41Å; V251-W260 HydrophobicContact CG2-CH2 4.42Å; T258-W260 HydrophobicContact CG2-CZ2 4.38Å; T258-W260 PolarHBondContact O-N 3.38Å |
| 261 | Q | 87.6 | Confident | 83 | Confident | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.3 | 170 | -170.6 | -178.9 | 22.5 | 0 | 0 | 109.6 | Y31 R216 L263 | Y31-Q261 PolarHBondContact N-O 2.9Å; Y31-Q261 PolarHBondContact O-N 2.83Å; R216-Q261 HydrophobicContact CG-CB 4.47Å; Q261-L263 HydrophobicContact CG-CD2 4.04Å |
| 262 | V | 86.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 108 | -179.3 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | L22 V28 L30 G214 D215 I217 | L22-V262 HydrophobicContact CD1-CG1 4.18Å; L22-V262 HydrophobicContact CD2-CG1 4.16Å; V28-V262 HydrophobicContact CB-CG1 3.98Å; V28-V262 HydrophobicContact CG1-CG1 3.84Å; V28-V262 HydrophobicContact CG2-CG1 4.37Å; L30-V262 HydrophobicContact CD2-CG2 3.96Å; G214-V262 VanDerWaalsContact CA-O 3.25Å; G214-V262 WeakPolarHBondContact CA-O 3.44Å; G214-V262 PolarHBondContact N-O 3.39Å; D215-V262 PolarHBondContact O-N 3.34Å; D215-V262 VanDerWaalsContact O-N 3.07Å; I217-V262 HydrophobicContact CB-CG2 4.49Å; I217-V262 HydrophobicContact CD1-CG2 3.38Å; I217-V262 HydrophobicContact CG1-CG2 3.6Å; I217-V262 HydrophobicContact CG2-CG2 4.09Å |
| 263 | L | 85 | Confident | 81.3 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.9 | 177.2 | -57.2 | 179 | 0 | 0 | 0 | 110.5 | V28 S29 F41 P61 Q261 F265 Y334 | V28-L263 CarbonylContact C-O 3.56Å; V28-L263 VanDerWaalsContact CA-O 3.32Å; V28-L263 WeakPolarHBondContact CA-O 3.37Å; S29-L263 PolarHBondContact N-O 3.18Å; S29-L263 PolarHBondContact O-N 3.4Å; S29-L263 PolarHBondContact OG-O 3.11Å; F41-L263 HydrophobicContact CE1-CD1 3.83Å; F41-L263 HydrophobicContact CZ-CD1 4.04Å; P61-L263 HydrophobicContact CB-CD1 3.79Å; P61-L263 HydrophobicContact CG-CD1 4.07Å; Q261-L263 HydrophobicContact CG-CD2 4.04Å; L263-F265 PolarHBondContact O-N 2.93Å; L263-Y334 HydrophobicContact CB-CD2 4.44Å |
| 264 | L | 85 | Confident | 80.8 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116.6 | 179.7 | -179.3 | 64.8 | 0 | 0 | 0 | 110.5 | D26 V28 A213 E267 | D26-L264 HydrophobicContact CB-CD1 3.96Å; V28-L264 HydrophobicContact CG1-CD1 4.46Å; A213-L264 HydrophobicContact CB-CB 3.9Å; A213-L264 HydrophobicContact CB-CD2 4.1Å; L264-E267 HydrophobicContact CD1-CG 4.33Å; L264-E267 HydrophobicContact CD2-CG 3.71Å; L264-E267 HydrophobicContact CG-CG 4.31Å |
| 265 | F | 81.2 | Confident | 80.6 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -48.4 | 175.9 | 177.2 | -94.5 | 0 | 0 | 0 | 111.1 | I27 L89 L263 Y334 K335 S336 | I27-F265 HydrophobicContact CB-CD1 4.41Å; I27-F265 HydrophobicContact CG2-CB 4.3Å; I27-F265 HydrophobicContact CG2-CD1 3.96Å; I27-F265 WeakPolarHBondContact O-CA 3.48Å; I27-F265 WeakPolarHBondContact O-CB 3.31Å; I27-F265 PolarHBondContact O-N 3.23Å; L89-F265 HydrophobicContact CD1-CD1 3.95Å; L89-F265 HydrophobicContact CD1-CD2 4.39Å; L89-F265 HydrophobicContact CD1-CE1 3.79Å; L89-F265 HydrophobicContact CD1-CE2 4.26Å; L89-F265 HydrophobicContact CD1-CG 4.26Å; L89-F265 HydrophobicContact CD1-CZ 3.96Å; L89-F265 HydrophobicContact CD2-CB 3.83Å; L89-F265 HydrophobicContact CD2-CD1 4.07Å; L89-F265 HydrophobicContact CD2-CD2 3.74Å; L89-F265 HydrophobicContact CD2-CE2 4.32Å; L89-F265 HydrophobicContact CD2-CG 3.6Å; L263-F265 PolarHBondContact O-N 2.93Å; F265-Y334 WeakPolarHBondContact CD2-O 3.44Å; F265-K335 CarbonylContact O-C 3.52Å; F265-S336 PolarHBondContact O-N 2.87Å |
| 266 | L | 82.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 130.9 | 179.5 | -169.1 | 74.8 | 0 | 0 | 0 | 110.4 | I27 E270 N271 K277 | I27-L266 HydrophobicContact CB-CB 4.14Å; I27-L266 HydrophobicContact CD1-CB 4.36Å; I27-L266 HydrophobicContact CD1-CD2 4.16Å; I27-L266 PolarHBondContact N-O 3.36Å; I27-L266 PolarHBondContact O-N 2.94Å; L266-E270 HydrophobicContact CD1-CB 3.84Å; L266-E270 HydrophobicContact CG-CB 4.2Å; L266-N271 HydrophobicContact CD2-CB 3.75Å; L266-N271 HydrophobicContact CG-CB 4.36Å; L266-K277 HydrophobicContact CD2-CD 3.88Å |
| 267 | E | 81.5 | Confident | 80.7 | Confident | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | trans | -73.4 | 147.4 | 177.4 | -70.3 | 172.3 | -152.2 | 0 | 0 | 111.4 | L264 R269 E270 N271 K335 | L264-E267 HydrophobicContact CD1-CG 4.33Å; L264-E267 HydrophobicContact CD2-CG 3.71Å; L264-E267 HydrophobicContact CG-CG 4.31Å; E267-R269 PolarHBondContact O-N 2.91Å; E267-E270 HydrophobicContact CB-CB 4.45Å; E267-E270 HydrophobicContact CB-CG 4.2Å; E267-E270 CarbonylContact O-C 3.57Å; E267-E270 PolarHBondContact O-N 3.3Å; E267-N271 WeakPolarHBondContact O-CB 3.17Å; E267-N271 PolarHBondContact O-N 3.35Å; E267-K335 IonicContact OE1-NZ 3.58Å; E267-K335 PolarHBondContact OE1-NZ 3.3Å | ||
| 268 | Y | 79.8 | Confident | 80.6 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 20% | 0.2 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.6 | 179.4 | 83.3 | -85.9 | 0 | 0 | 0 | 112.3 | H23 D26 I146 G147 E270 N271 | H23-Y268 HydrophobicContact CB-CD1 3.69Å; H23-Y268 HydrophobicContact CB-CE1 3.99Å; H23-Y268 AromaticContact CD2-CE1 3.97Å; H23-Y268 AromaticContact CG-CD1 3.85Å; H23-Y268 AromaticContact CG-CE1 3.71Å; H23-Y268 AromaticContact ND1-CE1 3.94Å; D26-Y268 WeakPolarHBondContact OD1-CB 3.47Å; D26-Y268 PolarHBondContact OD1-N 3.09Å; I146-Y268 HydrophobicContact CG2-CD2 3.81Å; G147-Y268 VanDerWaalsContact CA-CE2 3.43Å; G147-Y268 VanDerWaalsContact CA-CZ 3.43Å; Y268-E270 VanDerWaalsContact C-N 3.32Å; Y268-N271 PolarHBondContact O-N 3.45Å |
| 269 | R | 79.5 | Confident | 80 | Confident | 162 Ų | 162 | 35.2 Ų | 35.2 | 61% | 0.611 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -29 | 176.9 | -62.3 | -175.8 | -176.7 | 168.3 | 2 | 112.9 | E267 L272 | E267-R269 PolarHBondContact O-N 2.91Å; R269-L272 WeakPolarHBondContact O-CG 3.35Å |
| 270 | E | 74.7 | Confident | 79.6 | Confident | 35 Ų | 35 | 35.6 Ų | 35.6 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23.1 | 175.4 | -62.6 | -170.9 | 144.7 | 0 | 0 | 111.5 | L266 E267 Y268 L272 S337 A338 | L266-E270 HydrophobicContact CD1-CB 3.84Å; L266-E270 HydrophobicContact CG-CB 4.2Å; E267-E270 HydrophobicContact CB-CB 4.45Å; E267-E270 HydrophobicContact CB-CG 4.2Å; E267-E270 CarbonylContact O-C 3.57Å; E267-E270 PolarHBondContact O-N 3.3Å; Y268-E270 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.04Å; E270-S337 WeakPolarHBondContact OE2-CA 3.41Å; E270-A338 HydrophobicContact CB-CB 4.02Å; E270-A338 HydrophobicContact CG-CB 4.44Å |
| 271 | N | 76.9 | Confident | 79.1 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | trans | -77.1 | 40.1 | 179.3 | -165.4 | 17.7 | 0 | 0 | 0 | 113.6 | L266 E267 Y268 K277 | L266-N271 HydrophobicContact CD2-CB 3.75Å; L266-N271 HydrophobicContact CG-CB 4.36Å; E267-N271 WeakPolarHBondContact O-CB 3.17Å; E267-N271 PolarHBondContact O-N 3.35Å; Y268-N271 PolarHBondContact O-N 3.45Å; N271-K277 PolarHBondContact OD1-NZ 3.36Å | ||
| 272 | L | 73.8 | Confident | 79 | Confident | 72 Ų | 72 | 35 Ų | 35 | 38% | 0.377 | 18% | 0.176 | S | C | . | . | trans | -72.9 | 147.1 | 179 | -63.2 | 172 | 0 | 0 | 0 | 111.4 | R269 E270 V275 K277 L417 | R269-L272 WeakPolarHBondContact O-CG 3.35Å; E270-L272 PolarHBondContact O-N 3.04Å; L272-V275 HydrophobicContact CB-CB 4.16Å; L272-V275 HydrophobicContact CB-CG2 3.95Å; L272-V275 HydrophobicContact CD1-CG2 4.03Å; L272-K277 PolarHBondContact O-NZ 3Å; L272-L417 HydrophobicContact CD1-CD1 4.36Å | ||
| 273 | P | 67.5 | Low | 79.1 | Confident | 84 Ų | 84 | 35.5 Ų | 35.5 | 55% | 0.545 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -77.6 | -19.4 | -178.1 | 29.7 | -35.1 | 0 | 0 | 0 | 113.9 | R420 | P273-R420 WeakPolarHBondContact O-CD 3.07Å; P273-R420 PolarHBondContact O-NE 3.31Å; P273-R420 PolarHBondContact O-NH1 3.05Å |
| 274 | N | 76.9 | Confident | 79.2 | Confident | 129 Ų | 129 | 35 Ų | 35 | 69% | 0.69 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -104.1 | 0.2 | -175.5 | -66.2 | -10.3 | 0 | 0 | 0 | 113.7 | R420 | N274-R420 PolarHBondContact O-N 3.36Š|
| 275 | V | 82.1 | Confident | 79.3 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -110.2 | 138.8 | -175.1 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | L272 K277 A338 L417 R420 | L272-V275 HydrophobicContact CB-CB 4.16Å; L272-V275 HydrophobicContact CB-CG2 3.95Å; L272-V275 HydrophobicContact CD1-CG2 4.03Å; V275-K277 PolarHBondContact O-N 3.29Å; V275-A338 HydrophobicContact CG1-CB 3.98Å; V275-L417 HydrophobicContact CG1-CB 3.77Å; V275-L417 HydrophobicContact CG1-CD1 4.24Å; V275-L417 HydrophobicContact CG1-CD2 4.13Å; V275-L417 HydrophobicContact CG1-CG 4.26Å; V275-L417 HydrophobicContact CG2-CB 4.14Å; V275-L417 HydrophobicContact CG2-CD1 4.06Å; V275-R420 PolarHBondContact O-NE 3.29Å |
| 276 | L | 82.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -71.3 | 120.1 | 174.7 | -172.1 | 72.3 | 0 | 0 | 0 | 109 | D280 V282 V326 G339 F345 L406 V418 I486 | L276-D280 HydrophobicContact CD1-CB 4.31Å; L276-V282 HydrophobicContact CD1-CG1 3.94Å; L276-V326 HydrophobicContact CD1-CG2 4.21Å; L276-V326 HydrophobicContact CD2-CG1 4.35Å; L276-V326 HydrophobicContact CG-CG1 4.4Å; L276-G339 WeakPolarHBondContact O-CA 3.5Å; L276-G339 PolarHBondContact O-N 3.2Å; L276-F345 HydrophobicContact CD2-CE1 3.96Å; L276-L406 HydrophobicContact CD2-CD1 3.82Å; L276-V418 HydrophobicContact CB-CB 4.06Å; L276-V418 HydrophobicContact CB-CG1 4.03Å; L276-V418 WeakPolarHBondContact CB-O 3.35Å; L276-V418 HydrophobicContact CD2-CB 4.36Å; L276-V418 HydrophobicContact CD2-CG1 3.84Å; L276-V418 PolarHBondContact N-O 3.46Å; L276-I486 HydrophobicContact CD1-CG2 4.35Å; L276-I486 HydrophobicContact CD2-CD1 4Å | ||
| 277 | K | 77.4 | Confident | 79.2 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 159.3 | -176.8 | 57.9 | -172.8 | 169.3 | -156 | 0 | 111.7 | L266 N271 L272 V275 G279 D280 | L266-K277 HydrophobicContact CD2-CD 3.88Å; N271-K277 PolarHBondContact OD1-NZ 3.36Å; L272-K277 PolarHBondContact O-NZ 3Å; V275-K277 PolarHBondContact O-N 3.29Å; K277-G279 PolarHBondContact O-N 2.99Å; K277-D280 WeakPolarHBondContact CE-OD1 3.35Å; K277-D280 WeakPolarHBondContact CG-OD1 3.4Å; K277-D280 WeakPolarHBondContact CG-OD2 3.47Å; K277-D280 PolarHBondContact N-OD2 3.15Å; K277-D280 WeakPolarHBondContact O-CB 3.36Å; K277-D280 PolarHBondContact O-N 3.44Å |
| 278 | G | 74 | Confident | 79 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 124.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S336 S337 | G278-S336 VanDerWaalsContact CA-OG 3.29Å; G278-S336 WeakPolarHBondContact CA-OG 3.39Å; G278-S336 PolarHBondContact O-OG 2.65Å; G278-S337 PolarHBondContact N-O 3.47Å; G278-S337 VanDerWaalsContact N-O 3.09Å |
| 279 | G | 70.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | -18.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R86 K277 V281 V326 | R86-G279 PolarHBondContact NH2-O 2.76Å; K277-G279 PolarHBondContact O-N 2.99Å; G279-V281 PolarHBondContact O-N 2.66Å; G279-V326 WeakPolarHBondContact CA-O 3.12Å; G279-V326 PolarHBondContact N-O 2.96Å |
| 280 | D | 77.6 | Confident | 78.7 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -58.2 | 140.8 | -175 | -80.5 | -9.9 | 0 | 0 | 0 | 112.5 | L276 K277 E325 V326 R420 | L276-D280 HydrophobicContact CD1-CB 4.31Å; K277-D280 WeakPolarHBondContact CE-OD1 3.35Å; K277-D280 WeakPolarHBondContact CG-OD1 3.4Å; K277-D280 WeakPolarHBondContact CG-OD2 3.47Å; K277-D280 PolarHBondContact N-OD2 3.15Å; K277-D280 WeakPolarHBondContact O-CB 3.36Å; K277-D280 PolarHBondContact O-N 3.44Å; D280-E325 CarbonylContact O-C 3.54Å; D280-E325 WeakPolarHBondContact O-CA 3.45Å; D280-V326 PolarHBondContact O-N 3.43Å; D280-R420 IonicContact OD1-CZ 3.29Å; D280-R420 IonicContact OD1-NH2 2.76Å; D280-R420 PolarHBondContact OD1-NH2 3.02Å; D280-R420 IonicContact OD2-CZ 2.71Å; D280-R420 VanDerWaalsContact OD2-CZ 3.29Å; D280-R420 IonicContact OD2-NE 3.73Å; D280-R420 PolarHBondContact OD2-NE 3.17Å; D280-R420 IonicContact OD2-NH2 2.65Å; D280-R420 PolarHBondContact OD2-NH2 2.98Å | ||
| 281 | V | 78.9 | Confident | 78.9 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.2 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | G279 L323 W324 E325 L350 V489 V494 | G279-V281 PolarHBondContact O-N 2.66Å; V281-L323 HydrophobicContact CG1-CB 4.12Å; V281-L323 HydrophobicContact CG1-CD2 4.02Å; V281-W324 WeakPolarHBondContact CA-O 3.35Å; V281-E325 HydrophobicContact CG2-CB 4.49Å; V281-L350 HydrophobicContact CG1-CD2 3.98Å; V281-L350 HydrophobicContact CG2-CD2 4.36Å; V281-V489 HydrophobicContact CB-CB 4.37Å; V281-V489 HydrophobicContact CG1-CB 4.21Å; V281-V489 HydrophobicContact CG1-CG1 4.44Å; V281-V489 HydrophobicContact CG1-CG2 4.18Å; V281-V489 WeakPolarHBondContact O-CB 3.38Å; V281-V489 WeakPolarHBondContact O-CG2 3.4Å; V281-V489 PolarHBondContact O-N 2.95Å; V281-V494 HydrophobicContact CB-CG2 3.8Å; V281-V494 HydrophobicContact CG1-CG2 3.99Å; V281-V494 HydrophobicContact CG2-CG1 4.2Å; V281-V494 HydrophobicContact CG2-CG2 3.84Å |
| 282 | V | 85.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.8 | -174.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | L276 W324 V326 I486 L487 | L276-V282 HydrophobicContact CD1-CG1 3.94Å; V282-W324 PolarHBondContact N-O 2.98Å; V282-W324 PolarHBondContact O-N 3.23Å; V282-V326 HydrophobicContact CB-CG2 4.46Å; V282-V326 HydrophobicContact CG1-CG2 4.08Å; V282-V326 HydrophobicContact CG2-CG2 3.55Å; V282-I486 HydrophobicContact CB-CG2 3.85Å; V282-I486 HydrophobicContact CG1-CG2 3.65Å; V282-I486 HydrophobicContact CG2-CG2 4.37Å; V282-L487 CarbonylContact C-O 3.52Å; V282-L487 WeakPolarHBondContact CA-O 3.49Å |
| 283 | R | 88.3 | Confident | 79.9 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.3 | 165.5 | -68.2 | 175.7 | 173.7 | 109.2 | -0.3 | 108.6 | F292 A322 L323 L487 V489 E493 | R283-F292 HydrophobicContact CB-CD1 3.98Å; R283-F292 HydrophobicContact CB-CE1 3.97Å; R283-A322 HydrophobicContact CG-CB 4.46Å; R283-L323 HydrophobicContact CG-CD2 4.04Å; R283-L487 HydrophobicContact CB-CB 4.2Å; R283-L487 PolarHBondContact N-O 3.01Å; R283-L487 PolarHBondContact O-N 3.36Å; R283-V489 HydrophobicContact CG-CG2 3.96Å; R283-E493 IonicContact CZ-OE1 3.92Å; R283-E493 IonicContact CZ-OE2 3.26Å; R283-E493 IonicContact NH1-OE1 3.38Å; R283-E493 IonicContact NH1-OE2 2.62Å; R283-E493 PolarHBondContact NH1-OE2 3.04Å; R283-E493 IonicContact NH2-OE1 3.25Å; R283-E493 PolarHBondContact NH2-OE1 2.75Å; R283-E493 IonicContact NH2-OE2 2.83Å; R283-E493 PolarHBondContact NH2-OE2 3.21Å; R283-E493 VanDerWaalsContact NH2-OE2 3.12Å |
| 284 | L | 87.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 106.3 | 176 | -64.1 | 170.3 | 0 | 0 | 0 | 108.2 | L293 F347 I424 L426 F484 I486 | L284-L293 HydrophobicContact CB-CB 4.02Å; L284-L293 HydrophobicContact CB-CD2 4.35Å; L284-L293 HydrophobicContact CD1-CD2 3.74Å; L284-L293 PolarHBondContact O-N 3.46Å; L284-F347 HydrophobicContact CD1-CD1 4.32Å; L284-F347 HydrophobicContact CD1-CE1 4.45Å; L284-I424 HydrophobicContact CD2-CD1 4.16Å; L284-L426 HydrophobicContact CD1-CD1 4.33Å; L284-F484 HydrophobicContact CB-CD1 4.02Å; L284-I486 HydrophobicContact CD2-CG1 4.33Å |
| 285 | F | 87.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 10% | 0.096 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120 | -178.7 | 175.8 | -101.5 | 0 | 0 | 0 | 110.2 | A287 Q290 F292 A314 F484 A485 L487 | F285-A287 PolarHBondContact O-N 3.38Å; F285-Q290 HydrophobicContact CE2-CB 4.18Å; F285-Q290 HydrophobicContact CZ-CB 3.77Å; F285-Q290 HydrophobicContact CZ-CG 4.06Å; F285-F292 HydrophobicContact CB-CD1 4.15Å; F285-F292 HydrophobicContact CB-CE1 3.99Å; F285-F292 HydrophobicContact CD2-CD1 4.16Å; F285-F292 HydrophobicContact CD2-CD2 4.21Å; F285-F292 AromaticContact CD2-CE1 3.93Å; F285-F292 HydrophobicContact CD2-CE1 3.93Å; F285-F292 AromaticContact CD2-CE2 3.95Å; F285-F292 HydrophobicContact CD2-CE2 3.95Å; F285-F292 HydrophobicContact CD2-CG 4.31Å; F285-F292 AromaticContact CD2-CZ 3.81Å; F285-F292 HydrophobicContact CD2-CZ 3.81Å; F285-F292 HydrophobicContact CE2-CE2 4.3Å; F285-F292 HydrophobicContact CE2-CZ 4.43Å; F285-F292 HydrophobicContact CG-CE1 4.39Å; F285-A314 HydrophobicContact CE2-CB 3.88Å; F285-A314 HydrophobicContact CZ-CB 4.37Å; F285-F484 CarbonylContact O-C 3.59Å; F285-F484 VanDerWaalsContact O-CA 3.32Å; F285-F484 WeakPolarHBondContact O-CA 3.2Å; F285-A485 HydrophobicContact CB-CB 4.34Å; F285-A485 HydrophobicContact CD1-CB 4.27Å; F285-A485 PolarHBondContact N-O 2.94Å; F285-A485 PolarHBondContact O-N 2.89Å; F285-L487 HydrophobicContact CB-CD1 3.59Å; F285-L487 HydrophobicContact CB-CG 4.27Å; F285-L487 HydrophobicContact CG-CD1 4.14Å |
| 286 | H | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 114.4 | 176.2 | -165.9 | -53.9 | 0 | 0 | 0 | 109.4 | E288 Q289 Q290 K291 L306 E482 F484 | H286-E288 PolarHBondContact ND1-N 3.31Å; H286-E288 PolarHBondContact O-N 3.37Å; H286-Q289 HydrophobicContact CB-CB 4.44Å; H286-Q289 PolarHBondContact ND1-N 2.96Å; H286-Q290 WeakPolarHBondContact O-CA 3.48Å; H286-Q290 PolarHBondContact O-N 3.21Å; H286-K291 PolarHBondContact N-O 3.03Å; H286-K291 PolarHBondContact O-N 2.95Å; H286-L306 HydrophobicContact CB-CD1 4.38Å; H286-L306 HydrophobicContact CB-CD2 4.17Å; H286-E482 IonicContact NE2-OE1 2.9Å; H286-E482 IonicContact NE2-OE2 3.35Å; H286-E482 PolarHBondContact NE2-OE2 3.11Å; H286-E482 VanDerWaalsContact NE2-OE2 3.17Å; H286-F484 HydrophobicContact CB-CD1 4.33Å; H286-F484 HydrophobicContact CB-CE1 4.13Å; H286-F484 AromaticContact CD2-CZ 3.91Å |
| 287 | A | 76.2 | Confident | 79.5 | Confident | 37 Ų | 37 | 27.1 Ų | 27.1 | 31% | 0.306 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -47.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F285 Y423 A483 | F285-A287 PolarHBondContact O-N 3.38Å; A287-Y423 HydrophobicContact CB-CD1 4.21Å; A287-Y423 HydrophobicContact CB-CE1 3.87Å; A287-A483 PolarHBondContact N-O 3.18Å; A287-A483 VanDerWaalsContact N-O 3.07Å |
| 288 | E | 77.3 | Confident | 78.5 | Confident | 117 Ų | 117 | 30.9 Ų | 30.9 | 55% | 0.547 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -51.3 | -178.2 | -171.9 | 73.8 | 167.9 | 0 | 0 | 112.9 | H286 Q290 | H286-E288 PolarHBondContact ND1-N 3.31Å; H286-E288 PolarHBondContact O-N 3.37Å; E288-Q290 VanDerWaalsContact C-N 3.27Å; E288-Q290 PolarHBondContact O-N 3Å |
| 289 | Q | 75.6 | Confident | 77.8 | Confident | 48 Ų | 48 | 33.7 Ų | 33.7 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.7 | -176.6 | -62.4 | -156.4 | 3.9 | 0 | 0 | 114.3 | H286 K291 S437 | H286-Q289 HydrophobicContact CB-CB 4.44Å; H286-Q289 PolarHBondContact ND1-N 2.96Å; Q289-K291 HydrophobicContact CB-CB 4.5Å; Q289-K291 HydrophobicContact CB-CD 4.05Å; Q289-K291 HydrophobicContact CB-CG 4.27Å; Q289-K291 WeakPolarHBondContact O-CG 3.37Å; Q289-K291 PolarHBondContact O-N 3.48Å; Q289-S437 PolarHBondContact NE2-OG 3.01Å |
| 290 | Q | 77 | Confident | 77.2 | Confident | 106 Ų | 106 | 39.2 Ų | 39.2 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 46 | -171.6 | -58.4 | -165.9 | -3.5 | 0 | 0 | 114.8 | F285 H286 E288 A314 | F285-Q290 HydrophobicContact CE2-CB 4.18Å; F285-Q290 HydrophobicContact CZ-CB 3.77Å; F285-Q290 HydrophobicContact CZ-CG 4.06Å; H286-Q290 WeakPolarHBondContact O-CA 3.48Å; H286-Q290 PolarHBondContact O-N 3.21Å; E288-Q290 VanDerWaalsContact C-N 3.27Å; E288-Q290 PolarHBondContact O-N 3Å; Q290-A314 HydrophobicContact CB-CB 4.37Å |
| 291 | K | 79.8 | Confident | 76 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.8 | -175.3 | -67.8 | 170.5 | -153.5 | 167.6 | 0 | 112.5 | H286 Q289 L306 R307 V308 F470 | H286-K291 PolarHBondContact N-O 3.03Å; H286-K291 PolarHBondContact O-N 2.95Å; Q289-K291 HydrophobicContact CB-CB 4.5Å; Q289-K291 HydrophobicContact CB-CD 4.05Å; Q289-K291 HydrophobicContact CB-CG 4.27Å; Q289-K291 WeakPolarHBondContact O-CG 3.37Å; Q289-K291 PolarHBondContact O-N 3.48Å; K291-L306 HydrophobicContact CB-CB 3.86Å; K291-L306 HydrophobicContact CB-CD2 4.34Å; K291-L306 HydrophobicContact CD-CB 3.95Å; K291-R307 WeakPolarHBondContact CB-O 3.44Å; K291-R307 WeakPolarHBondContact CG-O 3.43Å; K291-V308 HydrophobicContact CD-CG2 4.01Å; K291-F470 HydrophobicContact CD-CD2 4.21Å; K291-F470 VanDerWaalsContact NZ-CD2 3.3Å |
| 292 | F | 85.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.8 | 174.5 | -69.8 | -83.4 | 0 | 0 | 0 | 111.6 | R283 F285 T294 R307 A314 T318 A322 L487 | R283-F292 HydrophobicContact CB-CD1 3.98Å; R283-F292 HydrophobicContact CB-CE1 3.97Å; F285-F292 HydrophobicContact CB-CD1 4.15Å; F285-F292 HydrophobicContact CB-CE1 3.99Å; F285-F292 HydrophobicContact CD2-CD1 4.16Å; F285-F292 HydrophobicContact CD2-CD2 4.21Å; F285-F292 AromaticContact CD2-CE1 3.93Å; F285-F292 HydrophobicContact CD2-CE1 3.93Å; F285-F292 AromaticContact CD2-CE2 3.95Å; F285-F292 HydrophobicContact CD2-CE2 3.95Å; F285-F292 HydrophobicContact CD2-CG 4.31Å; F285-F292 AromaticContact CD2-CZ 3.81Å; F285-F292 HydrophobicContact CD2-CZ 3.81Å; F285-F292 HydrophobicContact CE2-CE2 4.3Å; F285-F292 HydrophobicContact CE2-CZ 4.43Å; F285-F292 HydrophobicContact CG-CE1 4.39Å; F292-T294 HydrophobicContact CB-CG2 4.36Å; F292-T294 PolarHBondContact O-N 2.9Å; F292-R307 PolarHBondContact O-N 2.95Å; F292-A314 WeakPolarHBondContact CE2-O 3.46Å; F292-T318 HydrophobicContact CE1-CG2 4.46Å; F292-T318 HydrophobicContact CZ-CG2 4.02Å; F292-A322 HydrophobicContact CB-CB 4.17Å; F292-L487 HydrophobicContact CE1-CD1 3.78Å; F292-L487 HydrophobicContact CZ-CD1 4.21Å |
| 293 | L | 85.4 | Confident | 74.4 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116 | 168.5 | -173.5 | 67 | 0 | 0 | 0 | 110 | L284 V304 L306 W324 L356 L472 | L284-L293 HydrophobicContact CB-CB 4.02Å; L284-L293 HydrophobicContact CB-CD2 4.35Å; L284-L293 HydrophobicContact CD1-CD2 3.74Å; L284-L293 PolarHBondContact O-N 3.46Å; L293-V304 HydrophobicContact CD1-CG1 3.59Å; L293-V304 HydrophobicContact CG-CG1 4.17Å; L293-L306 HydrophobicContact CB-CD2 4.4Å; L293-L306 HydrophobicContact CD1-CD2 4.36Å; L293-W324 HydrophobicContact CD2-CZ2 4.27Å; L293-W324 HydrophobicContact CG-CZ2 4.15Å; L293-W324 PolarHBondContact O-NE1 3.45Å; L293-L356 HydrophobicContact CD2-CD2 4.41Å; L293-L472 HydrophobicContact CD1-CD1 3.17Å |
| 294 | T | 82.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 156.2 | -176.8 | 54.1 | 0 | 0 | 0 | 0 | 112 | F292 V304 F305 R307 K321 A322 | F292-T294 HydrophobicContact CB-CG2 4.36Å; F292-T294 PolarHBondContact O-N 2.9Å; T294-V304 WeakPolarHBondContact O-CA 3.37Å; T294-F305 PolarHBondContact N-O 2.99Å; T294-F305 PolarHBondContact O-N 3.27Å; T294-F305 WeakPolarHBondContact OG1-CD2 3.4Å; T294-F305 WeakPolarHBondContact OG1-CE2 3.49Å; T294-F305 PolarHBondContact OG1-O 2.99Å; T294-R307 HydrophobicContact CG2-CB 4.06Å; T294-K321 WeakPolarHBondContact CA-O 3.44Å; T294-K321 WeakPolarHBondContact CB-O 3.34Å; T294-A322 HydrophobicContact CG2-CB 3.62Å |
| 295 | Q | 80.4 | Confident | 73.4 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.7 | 170.9 | -178 | -174.6 | -31.8 | 0 | 0 | 109.5 | V304 K321 W324 H349 T352 S391 | Q295-V304 HydrophobicContact CB-CG2 4.44Å; Q295-V304 HydrophobicContact CG-CG2 4.32Å; Q295-K321 PolarHBondContact N-O 2.88Å; Q295-W324 HydrophobicContact CB-CH2 4.23Å; Q295-W324 HydrophobicContact CB-CZ2 4.25Å; Q295-H349 VanDerWaalsContact OE1-CB 3.23Å; Q295-T352 PolarHBondContact NE2-OG1 3.25Å; Q295-S391 VanDerWaalsContact CD-OG 3.24Å; Q295-S391 PolarHBondContact NE2-OG 3.48Å; Q295-S391 PolarHBondContact OE1-OG 3.02Å |
| 296 | D | 72.7 | Confident | 73 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 163.4 | 176 | -150.5 | -8.4 | 0 | 0 | 0 | 111.3 | A303 F305 K321 R467 | D296-A303 PolarHBondContact N-O 3.46Å; D296-A303 PolarHBondContact O-N 3.18Å; D296-F305 HydrophobicContact CB-CE1 3.68Å; D296-F305 HydrophobicContact CB-CZ 3.61Å; D296-K321 HydrophobicContact CB-CD 4.33Å; D296-K321 IonicContact OD1-NZ 3.13Å; D296-K321 PolarHBondContact OD1-NZ 3.13Å; D296-K321 IonicContact OD2-NZ 2.73Å; D296-K321 PolarHBondContact OD2-NZ 3.35Å; D296-R467 IonicContact OD2-NH1 2.85Å |
| 297 | L | 66.4 | Low | 72.4 | Confident | 106 Ų | 106 | 48 Ų | 48 | 56% | 0.555 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.5 | 173.2 | -151 | 93.6 | 0 | 0 | 0 | 108.8 | G299 Q302 | L297-G299 WeakPolarHBondContact CD2-O 3.22Å; L297-Q302 HydrophobicContact CD1-CG 3.75Å |
| 298 | H | 55.8 | Low | 71.8 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 103.1 | 173.5 | -162.5 | 67.3 | 0 | 0 | 0 | 109.2 | S300 L301 | H298-S300 PolarHBondContact O-N 2.98Å; H298-L301 CarbonylContact C-O 3.59Å; H298-L301 PolarHBondContact N-O 3Å; H298-L301 PolarHBondContact O-N 3.45Å; H298-L301 VanDerWaalsContact O-N 3.13Å |
| 299 | G | 59.5 | Low | 71 | Confident | 66 Ų | 66 | 45.3 Ų | 45.3 | 68% | 0.68 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -129.2 | -167 | 0 | 0 | 0 | 0 | 0 | 111.1 | L297 | L297-G299 WeakPolarHBondContact CD2-O 3.22Š|
| 300 | S | 57.2 | Low | 70.1 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 85% | 0.846 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5.8 | 173 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | H298 | H298-S300 PolarHBondContact O-N 2.98Š|
| 301 | L | 51.9 | Low | 69.2 | Low | 96 Ų | 96 | 52.9 Ų | 52.9 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.7 | -175.6 | -73.4 | 159.4 | 0 | 0 | 0 | 110.9 | H298 | H298-L301 CarbonylContact C-O 3.59Å; H298-L301 PolarHBondContact N-O 3Å; H298-L301 PolarHBondContact O-N 3.45Å; H298-L301 VanDerWaalsContact O-N 3.13Å |
| 302 | Q | 63.9 | Low | 68 | Low | 46 Ų | 46 | 59.4 Ų | 59.4 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.6 | 168.9 | -75.3 | -172.7 | 11.7 | 0 | 0 | 109.1 | L297 R354 | L297-Q302 HydrophobicContact CD1-CG 3.75Å; Q302-R354 VanDerWaalsContact OE1-NE 3.13Å; Q302-R354 VanDerWaalsContact OE1-NH1 3.16Å |
| 303 | A | 68.4 | Low | 66.6 | Low | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D296 F305 | D296-A303 PolarHBondContact N-O 3.46Å; D296-A303 PolarHBondContact O-N 3.18Å; A303-F305 HydrophobicContact CB-CD1 4.37Å; A303-F305 WeakPolarHBondContact O-CD1 3.22Å |
| 304 | V | 74.8 | Confident | 65.3 | Low | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.2 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | L293 T294 Q295 W324 L356 L389 L472 | L293-V304 HydrophobicContact CD1-CG1 3.59Å; L293-V304 HydrophobicContact CG-CG1 4.17Å; T294-V304 WeakPolarHBondContact O-CA 3.37Å; Q295-V304 HydrophobicContact CB-CG2 4.44Å; Q295-V304 HydrophobicContact CG-CG2 4.32Å; V304-W324 HydrophobicContact CG1-CZ2 4.5Å; V304-W324 HydrophobicContact CG2-CH2 4.41Å; V304-L356 HydrophobicContact CG1-CD1 4.06Å; V304-L356 HydrophobicContact CG2-CD1 4.37Å; V304-L389 HydrophobicContact CG1-CD2 4.15Å; V304-L472 HydrophobicContact CG1-CD1 4.37Å |
| 305 | F | 80.1 | Confident | 64.4 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160.8 | -173.5 | 56.6 | -95.1 | 0 | 0 | 0 | 112.4 | T294 D296 A303 R307 H469 F470 | T294-F305 PolarHBondContact N-O 2.99Å; T294-F305 PolarHBondContact O-N 3.27Å; T294-F305 WeakPolarHBondContact OG1-CD2 3.4Å; T294-F305 WeakPolarHBondContact OG1-CE2 3.49Å; T294-F305 PolarHBondContact OG1-O 2.99Å; D296-F305 HydrophobicContact CB-CE1 3.68Å; D296-F305 HydrophobicContact CB-CZ 3.61Å; A303-F305 HydrophobicContact CB-CD1 4.37Å; A303-F305 WeakPolarHBondContact O-CD1 3.22Å; F305-R307 HydrophobicContact CD2-CB 4.43Å; F305-R307 HydrophobicContact CE2-CB 4.15Å; F305-R307 HydrophobicContact CE2-CG 4.45Å; F305-H469 HydrophobicContact CB-CB 4.31Å; F305-H469 AromaticContact CD1-CD2 3.66Å; F305-H469 HydrophobicContact CD2-CB 4.38Å; F305-H469 AromaticContact CD2-CD2 3.37Å; F305-H469 WeakPolarHBondContact CD2-CD2 3.25Å; F305-H469 AromaticContact CE1-CD2 3.52Å; F305-H469 AromaticContact CE1-NE2 3.96Å; F305-H469 AromaticContact CE2-CD2 3.21Å; F305-H469 WeakPolarHBondContact CE2-CD2 3.29Å; F305-H469 AromaticContact CE2-NE2 3.77Å; F305-H469 HydrophobicContact CG-CB 4.23Å; F305-H469 AromaticContact CG-CD2 3.59Å; F305-H469 AromaticContact CZ-CD2 3.29Å; F305-H469 WeakPolarHBondContact CZ-CD2 3.31Å; F305-H469 AromaticContact CZ-NE2 3.54Å; F305-F470 VanDerWaalsContact CA-O 3.29Å; F305-F470 WeakPolarHBondContact CA-O 3.37Å; F305-F470 VanDerWaalsContact CB-O 3.27Å; F305-F470 WeakPolarHBondContact CB-O 3.21Å |
| 306 | L | 76.9 | Confident | 63.4 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.4 | 170.5 | -68.6 | 176.2 | 0 | 0 | 0 | 110.6 | H286 K291 L293 F470 L472 F484 | H286-L306 HydrophobicContact CB-CD1 4.38Å; H286-L306 HydrophobicContact CB-CD2 4.17Å; K291-L306 HydrophobicContact CB-CB 3.86Å; K291-L306 HydrophobicContact CB-CD2 4.34Å; K291-L306 HydrophobicContact CD-CB 3.95Å; L293-L306 HydrophobicContact CB-CD2 4.4Å; L293-L306 HydrophobicContact CD1-CD2 4.36Å; L306-F470 HydrophobicContact CB-CB 4.37Å; L306-F470 PolarHBondContact N-O 3.47Å; L306-F470 VanDerWaalsContact N-O 3.13Å; L306-L472 HydrophobicContact CD1-CD2 4.07Å; L306-L472 HydrophobicContact CD2-CD1 4.49Å; L306-L472 HydrophobicContact CD2-CD2 4.45Å; L306-L472 HydrophobicContact CG-CD1 4.11Å; L306-L472 HydrophobicContact CG-CD2 4.06Å; L306-L472 HydrophobicContact CG-CG 4.24Å; L306-F484 HydrophobicContact CD2-CE1 4.12Å |
| 307 | R | 72.7 | Confident | 62.7 | Low | 75 Ų | 75 | 76.2 Ų | 76.2 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.2 | -178.3 | -167.8 | 175.7 | -157.7 | 163.2 | 9.2 | 112.2 | K291 F292 T294 F305 | K291-R307 WeakPolarHBondContact CB-O 3.44Å; K291-R307 WeakPolarHBondContact CG-O 3.43Å; F292-R307 PolarHBondContact O-N 2.95Å; T294-R307 HydrophobicContact CG2-CB 4.06Å; F305-R307 HydrophobicContact CD2-CB 4.43Å; F305-R307 HydrophobicContact CE2-CB 4.15Å; F305-R307 HydrophobicContact CE2-CG 4.45Å |
| 308 | V | 64.3 | Low | 62.9 | Low | 65 Ų | 65 | 72.4 Ų | 72.4 | 39% | 0.394 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 140.3 | 173.9 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | K291 M468 F470 | K291-V308 HydrophobicContact CD-CG2 4.01Å; V308-M468 HydrophobicContact CG2-CB 4.2Å; V308-F470 HydrophobicContact CG2-CD2 4.23Å; V308-F470 HydrophobicContact CG2-CE2 3.71Å |
| 309 | T | 60.2 | Low | 63.8 | Low | 32 Ų | 32 | 68.3 Ų | 68.3 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | trans | -115.1 | 136.3 | 165.2 | 99.8 | 0 | 0 | 0 | 0 | 108.4 | R311 A314 A317 | T309-R311 PolarHBondContact O-N 2.89Å; T309-A314 HydrophobicContact CG2-CB 4.26Å; T309-A317 HydrophobicContact CG2-CB 3.97Å | ||
| 310 | K | 56 | Low | 64.5 | Low | 208 Ų | 208 | 65.4 Ų | 65.4 | 90% | 0.904 | 34% | 0.338 | S | S | * | . | trans | -88.1 | 34.5 | 174.6 | -70 | -166.8 | 174.2 | -168.7 | 0 | 112.2 | ||||
| 311 | R | 58 | Low | 65.5 | Low | 105 Ų | 105 | 62.2 Ų | 62.2 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -114.4 | 143.1 | 176.4 | -67.4 | -170.7 | -175.1 | 156.8 | -8.3 | 108.8 | T309 Q313 E316 | T309-R311 PolarHBondContact O-N 2.89Å; R311-Q313 PolarHBondContact O-N 3.47Å; R311-Q313 VanDerWaalsContact O-N 3.17Å; R311-E316 PolarHBondContact NH1-O 3.39Å |
| 312 | D | 55.5 | Low | 67 | Low | 162 Ų | 162 | 57.7 Ų | 57.7 | 87% | 0.866 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -57.9 | -29.5 | 177.9 | -54.1 | -32.8 | 0 | 0 | 0 | 111.8 | ||
| 313 | Q | 57.1 | Low | 67.9 | Low | 126 Ų | 126 | 55.6 Ų | 55.6 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | trans | -114.8 | 99.2 | 171.3 | -60.5 | -175.7 | 15.5 | 0 | 0 | 110.4 | R311 L315 E316 | R311-Q313 PolarHBondContact O-N 3.47Å; R311-Q313 VanDerWaalsContact O-N 3.17Å; Q313-L315 PolarHBondContact O-N 3.09Å; Q313-E316 PolarHBondContact O-N 3.36Å | ||
| 314 | A | 57.6 | Low | 68.7 | Low | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -60 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F285 Q290 F292 T309 E316 A317 | F285-A314 HydrophobicContact CE2-CB 3.88Å; F285-A314 HydrophobicContact CZ-CB 4.37Å; Q290-A314 HydrophobicContact CB-CB 4.37Å; F292-A314 WeakPolarHBondContact CE2-O 3.46Å; T309-A314 HydrophobicContact CG2-CB 4.26Å; A314-E316 VanDerWaalsContact C-N 3.28Å; A314-E316 PolarHBondContact O-N 2.84Å; A314-A317 PolarHBondContact O-N 2.88Å |
| 315 | L | 62.2 | Low | 69 | Low | 103 Ų | 103 | 54.9 Ų | 54.9 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -61.3 | -28 | -176.2 | -76.3 | 156.8 | 0 | 0 | 0 | 114.2 | Q313 A317 T318 L487 | Q313-L315 PolarHBondContact O-N 3.09Å; L315-A317 VanDerWaalsContact C-N 3.32Å; L315-T318 WeakPolarHBondContact O-CG2 3.36Å; L315-L487 HydrophobicContact CD2-CD1 3.49Å; L315-L487 VanDerWaalsContact CD2-CD1 3.49Å; L315-L487 HydrophobicContact CD2-CD2 4.25Å |
| 316 | E | 59.7 | Low | 69.1 | Low | 133 Ų | 133 | 54.7 Ų | 54.7 | 62% | 0.621 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -80.6 | -12.5 | 177.2 | -61.7 | -168.9 | 154.4 | 0 | 0 | 113.5 | R311 Q313 A314 | R311-E316 PolarHBondContact NH1-O 3.39Å; Q313-E316 PolarHBondContact O-N 3.36Å; A314-E316 VanDerWaalsContact C-N 3.28Å; A314-E316 PolarHBondContact O-N 2.84Å |
| 317 | A | 59.3 | Low | 69.2 | Low | 20 Ų | 20 | 55.9 Ų | 55.9 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | trans | -102.3 | 43.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T309 A314 L315 | T309-A317 HydrophobicContact CG2-CB 3.97Å; A314-A317 PolarHBondContact O-N 2.88Å; L315-A317 VanDerWaalsContact C-N 3.32Å | ||
| 318 | T | 69.9 | Low | 69.5 | Low | 26 Ų | 26 | 52.8 Ų | 52.8 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | trans | -71.6 | 134.7 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 113 | F292 L315 K563 | F292-T318 HydrophobicContact CE1-CG2 4.46Å; F292-T318 HydrophobicContact CZ-CG2 4.02Å; L315-T318 WeakPolarHBondContact O-CG2 3.36Å; T318-K563 PolarHBondContact O-NZ 3.39Å | ||
| 319 | S | 74.8 | Confident | 70 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | trans | -103.6 | 151.6 | 175 | -177 | 0 | 0 | 0 | 0 | 111.3 | K321 A322 E567 | S319-K321 PolarHBondContact O-N 2.74Å; S319-K321 PolarHBondContact OG-N 3.14Å; S319-A322 WeakPolarHBondContact O-CB 3.46Å; S319-A322 PolarHBondContact O-N 2.96Å; S319-E567 PolarHBondContact OG-OE2 2.97Å | ||
| 320 | S | 73.4 | Confident | 70.5 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -64.2 | -23.2 | 168.6 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | A322 L323 E567 Q568 | S320-A322 PolarHBondContact O-N 3.03Å; S320-L323 WeakPolarHBondContact O-CD1 3.38Å; S320-L323 WeakPolarHBondContact O-CG 3.36Å; S320-E567 PolarHBondContact N-OE2 3.33Å; S320-E567 PolarHBondContact OG-OE2 2.97Å; S320-Q568 PolarHBondContact OG-NE2 3.39Å |
| 321 | K | 79.1 | Confident | 71 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -79.9 | 5.7 | 176.1 | -55.9 | -169.5 | -176.4 | -173.8 | 0 | 114.6 | T294 Q295 D296 S319 H349 | T294-K321 WeakPolarHBondContact CA-O 3.44Å; T294-K321 WeakPolarHBondContact CB-O 3.34Å; Q295-K321 PolarHBondContact N-O 2.88Å; D296-K321 HydrophobicContact CB-CD 4.33Å; D296-K321 IonicContact OD1-NZ 3.13Å; D296-K321 PolarHBondContact OD1-NZ 3.13Å; D296-K321 IonicContact OD2-NZ 2.73Å; D296-K321 PolarHBondContact OD2-NZ 3.35Å; S319-K321 PolarHBondContact O-N 2.74Å; S319-K321 PolarHBondContact OG-N 3.14Å; K321-H349 PolarHBondContact O-NE2 3.33Å; K321-H349 VanDerWaalsContact O-NE2 3.09Å |
| 322 | A | 82.7 | Confident | 71.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -108.1 | 7.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R283 F292 T294 S319 S320 | R283-A322 HydrophobicContact CG-CB 4.46Å; F292-A322 HydrophobicContact CB-CB 4.17Å; T294-A322 HydrophobicContact CG2-CB 3.62Å; S319-A322 WeakPolarHBondContact O-CB 3.46Å; S319-A322 PolarHBondContact O-N 2.96Å; S320-A322 PolarHBondContact O-N 3.03Å |
| 323 | L | 84 | Confident | 71.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -92.3 | 121.4 | -170.1 | -66.1 | 173.5 | 0 | 0 | 0 | 110.3 | V281 R283 S320 H349 L350 V489 L497 | V281-L323 HydrophobicContact CG1-CB 4.12Å; V281-L323 HydrophobicContact CG1-CD2 4.02Å; R283-L323 HydrophobicContact CG-CD2 4.04Å; S320-L323 WeakPolarHBondContact O-CD1 3.38Å; S320-L323 WeakPolarHBondContact O-CG 3.36Å; L323-H349 PolarHBondContact O-CD2 3.49Å; L323-L350 HydrophobicContact CB-CB 3.87Å; L323-L350 HydrophobicContact CB-CD2 4Å; L323-L350 HydrophobicContact CD1-CD2 4.09Å; L323-L350 WeakPolarHBondContact O-CB 3.45Å; L323-L350 PolarHBondContact O-N 3.39Å; L323-V489 HydrophobicContact CD2-CB 4.25Å; L323-V489 HydrophobicContact CD2-CG1 3.79Å; L323-V489 HydrophobicContact CD2-CG2 3.51Å; L323-L497 HydrophobicContact CD1-CD2 3.62Å | ||
| 324 | W | 85.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.5 | -179.5 | -59.7 | 89.5 | 0 | 0 | 0 | 109.6 | V281 V282 L293 Q295 V304 F347 K348 H349 L356 | V281-W324 WeakPolarHBondContact CA-O 3.35Å; V282-W324 PolarHBondContact N-O 2.98Å; V282-W324 PolarHBondContact O-N 3.23Å; L293-W324 HydrophobicContact CD2-CZ2 4.27Å; L293-W324 HydrophobicContact CG-CZ2 4.15Å; L293-W324 PolarHBondContact O-NE1 3.45Å; Q295-W324 HydrophobicContact CB-CH2 4.23Å; Q295-W324 HydrophobicContact CB-CZ2 4.25Å; V304-W324 HydrophobicContact CG1-CZ2 4.5Å; V304-W324 HydrophobicContact CG2-CH2 4.41Å; W324-F347 HydrophobicContact CE3-CB 4.09Å; W324-K348 CarbonylContact C-O 3.57Å; W324-K348 WeakPolarHBondContact CA-O 3.26Å; W324-H349 HydrophobicContact CE3-CB 3.89Å; W324-H349 HydrophobicContact CH2-CB 3.97Å; W324-H349 HydrophobicContact CZ3-CB 3.6Å; W324-L356 HydrophobicContact CH2-CD1 4.05Å; W324-L356 HydrophobicContact CZ3-CB 4Å; W324-L356 HydrophobicContact CZ3-CD1 4.23Å |
| 325 | E | 80.5 | Confident | 73 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.2 | 171.3 | -178.1 | 172.6 | -161.7 | 0 | 0 | 109 | R85 R86 D280 V281 K348 | R85-E325 VanDerWaalsContact CD-OE2 3.31Å; R85-E325 WeakPolarHBondContact CD-OE2 3.44Å; R85-E325 IonicContact CZ-OE2 2.94Å; R85-E325 IonicContact NE-OE2 2.97Å; R85-E325 IonicContact NH1-OE2 3.91Å; R85-E325 PolarHBondContact NH1-OE2 3.18Å; R86-E325 IonicContact NE-OE1 2.62Å; D280-E325 CarbonylContact O-C 3.54Å; D280-E325 WeakPolarHBondContact O-CA 3.45Å; V281-E325 HydrophobicContact CG2-CB 4.49Å; E325-K348 HydrophobicContact CB-CB 4.36Å; E325-K348 PolarHBondContact N-O 3.34Å; E325-K348 PolarHBondContact O-N 3.16Å |
| 326 | V | 82.2 | Confident | 73.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.6 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L276 G279 D280 V282 F345 F347 | L276-V326 HydrophobicContact CD1-CG2 4.21Å; L276-V326 HydrophobicContact CD2-CG1 4.35Å; L276-V326 HydrophobicContact CG-CG1 4.4Å; G279-V326 WeakPolarHBondContact CA-O 3.12Å; G279-V326 PolarHBondContact N-O 2.96Å; D280-V326 PolarHBondContact O-N 3.43Å; V282-V326 HydrophobicContact CB-CG2 4.46Å; V282-V326 HydrophobicContact CG1-CG2 4.08Å; V282-V326 HydrophobicContact CG2-CG2 3.55Å; V326-F345 HydrophobicContact CG1-CD1 3.68Å; V326-F345 HydrophobicContact CG1-CE1 4.3Å; V326-F347 HydrophobicContact CG2-CD1 4.11Å; V326-F347 HydrophobicContact CG2-CE1 3.88Å |
| 327 | E | 77.8 | Confident | 74.3 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130 | 170.8 | -65.5 | -175.5 | 165.5 | 0 | 0 | 109.9 | G70 F345 R346 Y355 | G70-E327 PolarHBondContact N-OE1 3.03Å; G70-E327 VanDerWaalsContact N-OE1 3.12Å; E327-F345 CarbonylContact O-C 3.57Å; E327-F345 VanDerWaalsContact O-CA 3.25Å; E327-F345 WeakPolarHBondContact O-CA 3.49Å; E327-R346 HydrophobicContact CB-CB 4.27Å; E327-R346 PolarHBondContact N-O 3.21Å; E327-R346 PolarHBondContact O-N 3.22Å; E327-R346 IonicContact OE2-CZ 2.66Å; E327-R346 VanDerWaalsContact OE2-CZ 3.28Å; E327-R346 IonicContact OE2-NE 3.8Å; E327-R346 PolarHBondContact OE2-NE 3.12Å; E327-R346 VanDerWaalsContact OE2-NE 3.17Å; E327-R346 IonicContact OE2-NH2 2.79Å; E327-R346 PolarHBondContact OE2-NH2 2.73Å; E327-Y355 PolarHBondContact OE1-OH 3.07Å; E327-Y355 VanDerWaalsContact OE2-CE1 3.29Å; E327-Y355 WeakPolarHBondContact OE2-CE1 3.43Å; E327-Y355 PolarHBondContact OE2-OH 3.14Å |
| 328 | V | 79.3 | Confident | 75.3 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.9 | 173.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | H330 S337 F345 | V328-H330 PolarHBondContact O-N 3.11Å; V328-S337 WeakPolarHBondContact CG1-OG 3.38Å; V328-F345 HydrophobicContact CG2-CD1 3.94Å; V328-F345 HydrophobicContact CG2-CE1 3.72Å |
| 329 | V | 76 | Confident | 75.8 | Confident | 61 Ų | 61 | 29.9 Ų | 29.9 | 37% | 0.37 | 16% | 0.155 | S | C | . | . | trans | -73.8 | 126.7 | -178.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | V344 R346 L403 | V329-V344 HydrophobicContact CB-CB 4.25Å; V329-V344 HydrophobicContact CG2-CB 4.32Å; V329-V344 HydrophobicContact CG2-CG1 4.2Å; V329-V344 WeakPolarHBondContact CG2-O 3.42Å; V329-V344 PolarHBondContact N-O 2.96Å; V329-R346 HydrophobicContact CG2-CG 4.14Å; V329-L403 HydrophobicContact CG2-CD2 3.96Å | ||
| 330 | H | 70.3 | Confident | 76.3 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | trans | -137.5 | 151.2 | -178.8 | -173.5 | -78.3 | 0 | 0 | 0 | 110.8 | R69 V328 E332 | R69-H330 PolarHBondContact NH1-O 3.42Å; R69-H330 VanDerWaalsContact NH1-O 3.14Å; R69-H330 PolarHBondContact NH2-O 3.13Å; V328-H330 PolarHBondContact O-N 3.11Å; H330-E332 PolarHBondContact ND1-N 2.98Å | ||
| 331 | D | 67.3 | Low | 76.7 | Confident | 143 Ų | 143 | 35.1 Ų | 35.1 | 77% | 0.765 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -60.6 | -50.5 | -172.7 | -69.9 | -34.4 | 0 | 0 | 0 | 113.3 | P333 | D331-P333 WeakPolarHBondContact O-CD 3.25Š|
| 332 | E | 65.7 | Low | 76.8 | Confident | 84 Ų | 84 | 35.9 Ų | 35.9 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -78.1 | 118 | 179 | -65.8 | -170.3 | 165.6 | 0 | 0 | 112.7 | R69 H330 Y334 K335 | R69-E332 PolarHBondContact NH1-O 3.39Å; R69-E332 PolarHBondContact NH2-O 3.24Å; H330-E332 PolarHBondContact ND1-N 2.98Å; E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 HydrophobicContact CB-CE1 4.24Å; E332-Y334 HydrophobicContact CB-CE2 4.24Å; E332-Y334 PolarHBondContact O-N 3.19Å; E332-Y334 PolarHBondContact OE1-OH 3.42Å; E332-Y334 WeakPolarHBondContact OE2-CE2 3.07Å; E332-Y334 VanDerWaalsContact OE2-CZ 3.22Å; E332-Y334 PolarHBondContact OE2-OH 2.85Å; E332-K335 HydrophobicContact CB-CB 4.21Å; E332-K335 PolarHBondContact O-N 3.27Å; E332-K335 VanDerWaalsContact O-N 3.13Å |
| 333 | P | 62.1 | Low | 76.9 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 31% | 0.312 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19 | -170.6 | 12.6 | -23.2 | 0 | 0 | 0 | 118.1 | E62 P64 R69 D331 | E62-P333 VanDerWaalsContact O-CG 3.28Å; E62-P333 WeakPolarHBondContact O-CG 3.43Å; P64-P333 HydrophobicContact CG-CB 4.07Å; P64-P333 VanDerWaalsContact CG-O 3.27Å; P64-P333 WeakPolarHBondContact CG-O 3.44Å; R69-P333 WeakPolarHBondContact CD-O 3.44Å; R69-P333 WeakPolarHBondContact CG-O 3.2Å; R69-P333 VanDerWaalsContact CZ-CA 3.43Å; R69-P333 PolarHBondContact NE-O 2.89Å; D331-P333 WeakPolarHBondContact O-CD 3.25Å |
| 334 | Y | 69.4 | Low | 77 | Confident | 54 Ų | 54 | 38.9 Ų | 38.9 | 21% | 0.212 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -11.3 | -178.6 | 50.2 | -95.1 | 0 | 0 | 0 | 113.3 | P61 L263 F265 E332 | P61-Y334 WeakPolarHBondContact O-CD1 3.28Å; L263-Y334 HydrophobicContact CB-CD2 4.44Å; F265-Y334 WeakPolarHBondContact CD2-O 3.44Å; E332-Y334 VanDerWaalsContact C-N 3.26Å; E332-Y334 HydrophobicContact CB-CE1 4.24Å; E332-Y334 HydrophobicContact CB-CE2 4.24Å; E332-Y334 PolarHBondContact O-N 3.19Å; E332-Y334 PolarHBondContact OE1-OH 3.42Å; E332-Y334 WeakPolarHBondContact OE2-CE2 3.07Å; E332-Y334 VanDerWaalsContact OE2-CZ 3.22Å; E332-Y334 PolarHBondContact OE2-OH 2.85Å |
| 335 | K | 72.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | trans | -87.4 | 164.5 | -177.6 | -162.9 | 163.4 | -179.3 | 176.5 | 0 | 111.2 | R69 F265 E267 E332 | R69-K335 VanDerWaalsContact CZ-O 3.27Å; R69-K335 PolarHBondContact NE-O 3.25Å; R69-K335 VanDerWaalsContact NE-O 3.14Å; R69-K335 PolarHBondContact NH2-O 3.21Å; F265-K335 CarbonylContact O-C 3.52Å; E267-K335 IonicContact OE1-NZ 3.58Å; E267-K335 PolarHBondContact OE1-NZ 3.3Å; E332-K335 HydrophobicContact CB-CB 4.21Å; E332-K335 PolarHBondContact O-N 3.27Å; E332-K335 VanDerWaalsContact O-N 3.13Å | ||
| 336 | S | 74.6 | Confident | 77.3 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | trans | -137.5 | 165.5 | 167.5 | -175.3 | 0 | 0 | 0 | 0 | 106.6 | F265 G278 | F265-S336 PolarHBondContact O-N 2.87Å; G278-S336 VanDerWaalsContact CA-OG 3.29Å; G278-S336 WeakPolarHBondContact CA-OG 3.39Å; G278-S336 PolarHBondContact O-OG 2.65Å | ||
| 337 | S | 74.2 | Confident | 77.4 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | trans | -143.6 | 165.5 | 179 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | E270 G278 V328 | E270-S337 WeakPolarHBondContact OE2-CA 3.41Å; G278-S337 PolarHBondContact N-O 3.47Å; G278-S337 VanDerWaalsContact N-O 3.09Å; V328-S337 WeakPolarHBondContact CG1-OG 3.38Å | ||
| 338 | A | 79.7 | Confident | 77.5 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 130.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E270 V275 R340 L417 | E270-A338 HydrophobicContact CB-CB 4.02Å; E270-A338 HydrophobicContact CG-CB 4.44Å; V275-A338 HydrophobicContact CG1-CB 3.98Å; A338-R340 PolarHBondContact O-N 3.29Å; A338-L417 HydrophobicContact CB-CD2 3.67Å |
| 339 | G | 80 | Confident | 77.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 128.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L276 V418 | L276-G339 WeakPolarHBondContact O-CA 3.5Å; L276-G339 PolarHBondContact O-N 3.2Å; G339-V418 PolarHBondContact O-N 2.99Å |
| 340 | R | 85.5 | Confident | 77.5 | Confident | 115 Ų | 115 | 34.5 Ų | 34.5 | 43% | 0.434 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -101.8 | 161 | 168.9 | -59.7 | 176.7 | -172.1 | 163.4 | 3.8 | 109.6 | A338 N342 S343 F345 A416 L417 | A338-R340 PolarHBondContact O-N 3.29Å; R340-N342 WeakPolarHBondContact CB-OD1 3.44Å; R340-N342 PolarHBondContact O-N 3.4Å; R340-S343 WeakPolarHBondContact CB-OG 3.47Å; R340-S343 PolarHBondContact N-OG 2.96Å; R340-S343 WeakPolarHBondContact O-CB 3.44Å; R340-S343 PolarHBondContact O-N 3.49Å; R340-S343 PolarHBondContact O-OG 3.14Å; R340-F345 WeakPolarHBondContact O-CE2 3.27Å; R340-A416 WeakPolarHBondContact CA-O 3.35Å; R340-L417 HydrophobicContact CG-CD2 4.16Å |
| 341 | W | 82.9 | Confident | 77.4 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.1 | -180 | -68 | 108.1 | 0 | 0 | 0 | 113.5 | L406 P408 M414 A416 V418 I424 | W341-L406 HydrophobicContact CE3-CB 4.27Å; W341-L406 HydrophobicContact CZ3-CB 4.29Å; W341-P408 HydrophobicContact CD2-CB 3.99Å; W341-P408 HydrophobicContact CD2-CG 4.08Å; W341-P408 HydrophobicContact CE3-CB 3.8Å; W341-P408 HydrophobicContact CE3-CG 4Å; W341-P408 HydrophobicContact CH2-CB 3.69Å; W341-P408 HydrophobicContact CZ2-CB 3.89Å; W341-P408 HydrophobicContact CZ3-CB 3.64Å; W341-P408 HydrophobicContact CZ3-CG 4.32Å; W341-M414 WeakPolarHBondContact CB-O 3.38Å; W341-M414 HydrophobicContact CB-SD 4.27Å; W341-M414 PolarHBondContact N-O 3.45Å; W341-A416 VanDerWaalsContact CD1-O 3.22Å; W341-A416 PolarHBondContact N-O 3.38Å; W341-V418 HydrophobicContact CD2-CG2 3.76Å; W341-V418 HydrophobicContact CE3-CG2 3.91Å; W341-V418 HydrophobicContact CG-CG2 4.12Å; W341-V418 HydrophobicContact CH2-CG1 3.97Å; W341-V418 HydrophobicContact CZ2-CG1 4.18Å; W341-V418 HydrophobicContact CZ2-CG2 4.45Å; W341-V418 HydrophobicContact CZ3-CG1 4.19Å; W341-V418 HydrophobicContact CZ3-CG2 4.32Å; W341-I424 HydrophobicContact CH2-CG2 4.06Å; W341-I424 HydrophobicContact CZ3-CG2 3.83Å |
| 342 | N | 80.5 | Confident | 77.6 | Confident | 71 Ų | 71 | 27.9 Ų | 27.9 | 38% | 0.38 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.5 | 172.2 | 63.3 | -1.9 | 0 | 0 | 0 | 114.7 | R340 M414 D415 | R340-N342 WeakPolarHBondContact CB-OD1 3.44Å; R340-N342 PolarHBondContact O-N 3.4Å; N342-M414 PolarHBondContact N-O 3.04Å; N342-M414 PolarHBondContact OD1-O 2.94Å; N342-D415 PolarHBondContact ND2-OD1 2.79Å |
| 343 | S | 85.2 | Confident | 77.6 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -70.7 | 156.8 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | R340 F345 | R340-S343 WeakPolarHBondContact CB-OG 3.47Å; R340-S343 PolarHBondContact N-OG 2.96Å; R340-S343 WeakPolarHBondContact O-CB 3.44Å; R340-S343 PolarHBondContact O-N 3.49Å; R340-S343 PolarHBondContact O-OG 3.14Å; S343-F345 VanDerWaalsContact O-CD2 3.32Å; S343-F345 WeakPolarHBondContact O-CD2 3.43Å; S343-F345 WeakPolarHBondContact O-CE2 3.35Å |
| 344 | V | 85.9 | Confident | 78.3 | Confident | 45 Ų | 45 | 26 Ų | 26 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130.9 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | V329 L403 V429 | V329-V344 HydrophobicContact CB-CB 4.25Å; V329-V344 HydrophobicContact CG2-CB 4.32Å; V329-V344 HydrophobicContact CG2-CG1 4.2Å; V329-V344 WeakPolarHBondContact CG2-O 3.42Å; V329-V344 PolarHBondContact N-O 2.96Å; V344-L403 HydrophobicContact CG1-CB 3.75Å; V344-L403 HydrophobicContact CG1-CD1 4.31Å; V344-L403 HydrophobicContact CG1-CD2 3.82Å; V344-L403 HydrophobicContact CG1-CG 4.16Å; V344-V429 HydrophobicContact CG1-CG2 4.29Å |
| 345 | F | 86.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152 | -174.1 | -62.6 | -96 | 0 | 0 | 0 | 111.5 | L276 V326 E327 V328 R340 S343 F347 F404 L406 V418 | L276-F345 HydrophobicContact CD2-CE1 3.96Å; V326-F345 HydrophobicContact CG1-CD1 3.68Å; V326-F345 HydrophobicContact CG1-CE1 4.3Å; E327-F345 CarbonylContact O-C 3.57Å; E327-F345 VanDerWaalsContact O-CA 3.25Å; E327-F345 WeakPolarHBondContact O-CA 3.49Å; V328-F345 HydrophobicContact CG2-CD1 3.94Å; V328-F345 HydrophobicContact CG2-CE1 3.72Å; R340-F345 WeakPolarHBondContact O-CE2 3.27Å; S343-F345 VanDerWaalsContact O-CD2 3.32Å; S343-F345 WeakPolarHBondContact O-CD2 3.43Å; S343-F345 WeakPolarHBondContact O-CE2 3.35Å; F345-F347 HydrophobicContact CB-CE2 4.38Å; F345-F347 HydrophobicContact CB-CZ 4.41Å; F345-F404 PolarHBondContact N-O 3.35Å; F345-F404 PolarHBondContact O-N 2.77Å; F345-L406 HydrophobicContact CD1-CD1 4.11Å; F345-L406 HydrophobicContact CD2-CB 4.33Å; F345-L406 HydrophobicContact CD2-CD1 3.8Å; F345-L406 HydrophobicContact CD2-CG 3.55Å; F345-L406 HydrophobicContact CE1-CD1 3.96Å; F345-L406 HydrophobicContact CE2-CB 4.13Å; F345-L406 HydrophobicContact CE2-CD1 3.65Å; F345-L406 HydrophobicContact CE2-CG 3.68Å; F345-L406 HydrophobicContact CG-CD1 4.02Å; F345-L406 HydrophobicContact CG-CG 4.05Å; F345-L406 HydrophobicContact CZ-CD1 3.73Å; F345-L406 HydrophobicContact CZ-CG 4.29Å; F345-V418 HydrophobicContact CZ-CG2 4.16Å |
| 346 | R | 84.3 | Confident | 79.5 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.2 | 166.2 | -53.6 | -168.1 | -65.2 | 177.5 | -0.1 | 109.7 | E327 V329 Y355 P397 T402 L403 | E327-R346 HydrophobicContact CB-CB 4.27Å; E327-R346 PolarHBondContact N-O 3.21Å; E327-R346 PolarHBondContact O-N 3.22Å; E327-R346 IonicContact OE2-CZ 2.66Å; E327-R346 VanDerWaalsContact OE2-CZ 3.28Å; E327-R346 IonicContact OE2-NE 3.8Å; E327-R346 PolarHBondContact OE2-NE 3.12Å; E327-R346 VanDerWaalsContact OE2-NE 3.17Å; E327-R346 IonicContact OE2-NH2 2.79Å; E327-R346 PolarHBondContact OE2-NH2 2.73Å; V329-R346 HydrophobicContact CG2-CG 4.14Å; R346-Y355 HydrophobicContact CB-CD1 3.95Å; R346-Y355 HydrophobicContact CB-CE1 4.01Å; R346-P397 PolarHBondContact NH1-O 3.25Å; R346-T402 WeakPolarHBondContact CD-OG1 3.19Å; R346-T402 WeakPolarHBondContact CG-O 3.34Å; R346-L403 HydrophobicContact CG-CD2 3.82Å |
| 347 | F | 86.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.1 | 180 | -63.4 | -80.4 | 0 | 0 | 0 | 110.1 | L284 W324 V326 F345 Y355 L356 F404 L406 L426 | L284-F347 HydrophobicContact CD1-CD1 4.32Å; L284-F347 HydrophobicContact CD1-CE1 4.45Å; W324-F347 HydrophobicContact CE3-CB 4.09Å; V326-F347 HydrophobicContact CG2-CD1 4.11Å; V326-F347 HydrophobicContact CG2-CE1 3.88Å; F345-F347 HydrophobicContact CB-CE2 4.38Å; F345-F347 HydrophobicContact CB-CZ 4.41Å; F347-Y355 CarbonylContact O-C 3.48Å; F347-Y355 WeakPolarHBondContact O-CA 3.44Å; F347-L356 HydrophobicContact CB-CB 3.94Å; F347-L356 HydrophobicContact CB-CD2 4.29Å; F347-L356 HydrophobicContact CD2-CD2 4.24Å; F347-L356 PolarHBondContact O-N 3.3Å; F347-F404 HydrophobicContact CD2-CB 4.47Å; F347-F404 HydrophobicContact CD2-CD2 4.16Å; F347-F404 HydrophobicContact CD2-CG 4.43Å; F347-F404 HydrophobicContact CE2-CB 4.06Å; F347-F404 HydrophobicContact CE2-CG 4.42Å; F347-L406 HydrophobicContact CE2-CD2 4.46Å; F347-L406 HydrophobicContact CZ-CD2 4.03Å; F347-L426 HydrophobicContact CE2-CD2 3.6Å; F347-L426 HydrophobicContact CZ-CD2 3.88Å |
| 348 | K | 79.2 | Confident | 80.1 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.4 | -179.3 | -172.4 | 179.9 | -172.1 | 173.8 | 0 | 110.6 | W324 E325 L350 D353 R354 Y355 | W324-K348 CarbonylContact C-O 3.57Å; W324-K348 WeakPolarHBondContact CA-O 3.26Å; E325-K348 HydrophobicContact CB-CB 4.36Å; E325-K348 PolarHBondContact N-O 3.34Å; E325-K348 PolarHBondContact O-N 3.16Å; K348-L350 PolarHBondContact O-N 2.98Å; K348-D353 WeakPolarHBondContact CE-OD1 3.32Å; K348-D353 WeakPolarHBondContact CE-OD2 3.1Å; K348-D353 IonicContact NZ-OD1 3.47Å; K348-D353 PolarHBondContact NZ-OD1 3.23Å; K348-D353 IonicContact NZ-OD2 2.79Å; K348-D353 PolarHBondContact NZ-OD2 3.46Å; K348-R354 CarbonylContact C-O 3.59Å; K348-R354 WeakPolarHBondContact CA-O 3.34Å; K348-Y355 HydrophobicContact CB-CD1 4.13Å; K348-Y355 HydrophobicContact CB-CE1 3.79Å; K348-Y355 HydrophobicContact CD-CE1 4.37Å; K348-Y355 HydrophobicContact CD-CE2 4.14Å; K348-Y355 HydrophobicContact CG-CE1 4.23Å; K348-Y355 HydrophobicContact CG-CE2 4.25Å |
| 349 | H | 81.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 120.7 | 176.8 | -173.5 | -123 | 0 | 0 | 0 | 110.7 | R85 Q295 K321 L323 W324 A351 T352 D353 R354 | R85-H349 PolarHBondContact NH2-O 2.97Å; Q295-H349 VanDerWaalsContact OE1-CB 3.23Å; K321-H349 PolarHBondContact O-NE2 3.33Å; K321-H349 VanDerWaalsContact O-NE2 3.09Å; L323-H349 PolarHBondContact O-CD2 3.49Å; W324-H349 HydrophobicContact CE3-CB 3.89Å; W324-H349 HydrophobicContact CH2-CB 3.97Å; W324-H349 HydrophobicContact CZ3-CB 3.6Å; H349-A351 PolarHBondContact O-N 3.24Å; H349-T352 PolarHBondContact ND1-OG1 2.98Å; H349-T352 PolarHBondContact O-N 3.39Å; H349-D353 PolarHBondContact O-N 3.17Å; H349-R354 PolarHBondContact N-O 2.97Å |
| 350 | L | 73.4 | Confident | 78.7 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -42.9 | -169.5 | -170.9 | 60 | 0 | 0 | 0 | 111.9 | R85 V281 L323 K348 V494 L497 | R85-L350 VanDerWaalsContact NH1-CD1 3.26Å; R85-L350 PolarHBondContact NH2-O 3.16Å; V281-L350 HydrophobicContact CG1-CD2 3.98Å; V281-L350 HydrophobicContact CG2-CD2 4.36Å; L323-L350 HydrophobicContact CB-CB 3.87Å; L323-L350 HydrophobicContact CB-CD2 4Å; L323-L350 HydrophobicContact CD1-CD2 4.09Å; L323-L350 WeakPolarHBondContact O-CB 3.45Å; L323-L350 PolarHBondContact O-N 3.39Å; K348-L350 PolarHBondContact O-N 2.98Å; L350-V494 HydrophobicContact CD2-CG1 4.17Å; L350-L497 HydrophobicContact CD2-CD2 3.58Å; L350-L497 HydrophobicContact CG-CD2 4.03Å |
| 351 | A | 68.6 | Low | 77 | Confident | 22 Ų | 22 | 27.1 Ų | 27.1 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -26.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V82 H349 | V82-A351 WeakPolarHBondContact CG1-O 3.36Å; H349-A351 PolarHBondContact O-N 3.24Å |
| 352 | T | 70.9 | Confident | 75.1 | Confident | 41 Ų | 41 | 33 Ų | 33 | 25% | 0.252 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -5.8 | -172.9 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | Q295 H349 R354 | Q295-T352 PolarHBondContact NE2-OG1 3.25Å; H349-T352 PolarHBondContact ND1-OG1 2.98Å; H349-T352 PolarHBondContact O-N 3.39Å; T352-R354 PolarHBondContact O-N 3.05Å |
| 353 | D | 66.2 | Low | 73.3 | Confident | 31 Ų | 31 | 38.7 Ų | 38.7 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | trans | 64.1 | 22.4 | -179.7 | -141.1 | 67.3 | 0 | 0 | 0 | 114.9 | R85 K348 H349 | R85-D353 IonicContact CZ-OD1 3.28Å; R85-D353 IonicContact NE-OD1 3.68Å; R85-D353 PolarHBondContact NE-OD1 3.2Å; R85-D353 VanDerWaalsContact NH2-CA 3.31Å; R85-D353 IonicContact NH2-OD1 2.91Å; R85-D353 PolarHBondContact NH2-OD1 3.38Å; K348-D353 WeakPolarHBondContact CE-OD1 3.32Å; K348-D353 WeakPolarHBondContact CE-OD2 3.1Å; K348-D353 IonicContact NZ-OD1 3.47Å; K348-D353 PolarHBondContact NZ-OD1 3.23Å; K348-D353 IonicContact NZ-OD2 2.79Å; K348-D353 PolarHBondContact NZ-OD2 3.46Å; H349-D353 PolarHBondContact O-N 3.17Å | ||
| 354 | R | 77.2 | Confident | 71 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -102 | 150.3 | 179.2 | -69.4 | -164.5 | -178.9 | -173.3 | -3 | 111.7 | Q302 K348 H349 T352 S391 H393 | Q302-R354 VanDerWaalsContact OE1-NE 3.13Å; Q302-R354 VanDerWaalsContact OE1-NH1 3.16Å; K348-R354 CarbonylContact C-O 3.59Å; K348-R354 WeakPolarHBondContact CA-O 3.34Å; H349-R354 PolarHBondContact N-O 2.97Å; T352-R354 PolarHBondContact O-N 3.05Å; R354-S391 WeakPolarHBondContact CD-OG 3.47Å; R354-H393 VanDerWaalsContact CG-CE1 3.45Å; R354-H393 WeakPolarHBondContact CG-CE1 3.48Å; R354-H393 PolarHBondContact NE-CD2 2.57Å; R354-H393 VanDerWaalsContact NE-CD2 3.34Å; R354-H393 PolarHBondContact NE-NE2 3.43Å; R354-H393 PolarHBondContact NH2-NE2 3.41Å |
| 355 | Y | 81.7 | Confident | 68.6 | Low | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141.9 | 175.6 | -74.3 | -88.7 | 0 | 0 | 0 | 110.6 | G70 E327 R346 F347 K348 S357 S391 T392 T402 | G70-Y355 VanDerWaalsContact C-OH 3.24Å; G70-Y355 WeakPolarHBondContact CA-OH 3.28Å; G70-Y355 WeakPolarHBondContact O-CE2 3.33Å; G70-Y355 VanDerWaalsContact O-CZ 3.23Å; G70-Y355 PolarHBondContact O-OH 2.97Å; E327-Y355 PolarHBondContact OE1-OH 3.07Å; E327-Y355 VanDerWaalsContact OE2-CE1 3.29Å; E327-Y355 WeakPolarHBondContact OE2-CE1 3.43Å; E327-Y355 PolarHBondContact OE2-OH 3.14Å; R346-Y355 HydrophobicContact CB-CD1 3.95Å; R346-Y355 HydrophobicContact CB-CE1 4.01Å; F347-Y355 CarbonylContact O-C 3.48Å; F347-Y355 WeakPolarHBondContact O-CA 3.44Å; K348-Y355 HydrophobicContact CB-CD1 4.13Å; K348-Y355 HydrophobicContact CB-CE1 3.79Å; K348-Y355 HydrophobicContact CD-CE1 4.37Å; K348-Y355 HydrophobicContact CD-CE2 4.14Å; K348-Y355 HydrophobicContact CG-CE1 4.23Å; K348-Y355 HydrophobicContact CG-CE2 4.25Å; Y355-S357 PolarHBondContact O-N 3.22Å; Y355-S391 VanDerWaalsContact O-CA 3.25Å; Y355-S391 WeakPolarHBondContact O-CA 3.26Å; Y355-T392 PolarHBondContact N-O 3.34Å; Y355-T392 PolarHBondContact O-N 3.2Å; Y355-T402 HydrophobicContact CG-CG2 4.46Å |
| 356 | L | 86.1 | Confident | 66.1 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129 | 162.3 | -167.8 | 65 | 0 | 0 | 0 | 107.8 | L293 V304 W324 F347 L389 F404 | L293-L356 HydrophobicContact CD2-CD2 4.41Å; V304-L356 HydrophobicContact CG1-CD1 4.06Å; V304-L356 HydrophobicContact CG2-CD1 4.37Å; W324-L356 HydrophobicContact CH2-CD1 4.05Å; W324-L356 HydrophobicContact CZ3-CB 4Å; W324-L356 HydrophobicContact CZ3-CD1 4.23Å; F347-L356 HydrophobicContact CB-CB 3.94Å; F347-L356 HydrophobicContact CB-CD2 4.29Å; F347-L356 HydrophobicContact CD2-CD2 4.24Å; F347-L356 PolarHBondContact O-N 3.3Å; L356-L389 HydrophobicContact CD1-CD1 4.1Å; L356-L389 HydrophobicContact CD1-CD2 3.78Å; L356-L389 HydrophobicContact CD1-CG 3.77Å; L356-L389 HydrophobicContact CG-CD1 4.16Å; L356-L389 HydrophobicContact CG-CD2 4.48Å; L356-L389 HydrophobicContact CG-CG 4.39Å; L356-F404 HydrophobicContact CB-CE2 4.18Å; L356-F404 HydrophobicContact CD2-CE2 4.14Å; L356-F404 HydrophobicContact CD2-CZ 4.05Å; L356-F404 HydrophobicContact CG-CE2 4.06Å; L356-F404 HydrophobicContact CG-CZ 4Å; L356-F404 WeakPolarHBondContact O-CE2 3.38Å |
| 357 | S | 82.8 | Confident | 63.9 | Low | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162 | -176.2 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | Y355 T390 T392 S401 | Y355-S357 PolarHBondContact O-N 3.22Å; S357-T390 PolarHBondContact N-O 3.34Å; S357-T390 CarbonylContact O-C 3.31Å; S357-T390 PolarHBondContact O-N 2.82Å; S357-T390 WeakPolarHBondContact OG-CG2 3.13Å; S357-T390 PolarHBondContact OG-O 2.98Å; S357-T392 WeakPolarHBondContact CB-OG1 3.35Å; S357-T392 WeakPolarHBondContact OG-CB 3.35Å; S357-T392 VanDerWaalsContact OG-CG2 3.26Å; S357-T392 WeakPolarHBondContact OG-CG2 3.36Å; S357-T392 PolarHBondContact OG-N 3.41Å; S357-T392 PolarHBondContact OG-OG1 3.36Å; S357-S401 WeakPolarHBondContact CA-O 3.43Å; S357-S401 WeakPolarHBondContact CB-O 3.46Å |
| 358 | V | 77.9 | Confident | 61.8 | Low | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.2 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | Y360 Y387 L389 S401 F404 H428 T431 | V358-Y360 HydrophobicContact CB-CE2 4.47Å; V358-Y360 VanDerWaalsContact O-CD2 3.22Å; V358-Y360 WeakPolarHBondContact O-CD2 2.72Å; V358-Y387 HydrophobicContact CG1-CG 4.09Å; V358-L389 HydrophobicContact CG2-CD1 3.99Å; V358-S401 PolarHBondContact N-O 3.31Å; V358-F404 HydrophobicContact CG2-CZ 4.33Å; V358-H428 VanDerWaalsContact CB-CE1 3.46Å; V358-H428 WeakPolarHBondContact CB-CE1 3.4Å; V358-H428 HydrophobicContact CG2-CB 4.11Å; V358-H428 WeakPolarHBondContact CG2-ND1 3.29Å; V358-T431 HydrophobicContact CG1-CG2 4.29Å |
| 359 | D | 71.9 | Confident | 59.9 | Low | 66 Ų | 66 | 67.7 Ų | 67.7 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.1 | 175.4 | -165 | -4.6 | 0 | 0 | 0 | 109.9 | D361 S388 T390 | D359-D361 PolarHBondContact OD1-N 3.46Å; D359-S388 PolarHBondContact N-O 3.31Å; D359-T390 HydrophobicContact CB-CG2 3.83Å |
| 360 | Y | 59.2 | Low | 58.1 | Low | 62 Ų | 62 | 69.8 Ų | 69.8 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | trans | -99.7 | -7.1 | -177.3 | -78.3 | -86.9 | 0 | 0 | 0 | 113.7 | V358 H362 Y387 H428 Q430 T431 | V358-Y360 HydrophobicContact CB-CE2 4.47Å; V358-Y360 VanDerWaalsContact O-CD2 3.22Å; V358-Y360 WeakPolarHBondContact O-CD2 2.72Å; Y360-H362 PolarHBondContact O-N 3.36Å; Y360-Y387 HydrophobicContact CD1-CE1 4.26Å; Y360-H428 AromaticContact CE2-CE1 3.78Å; Y360-H428 AromaticContact CZ-CE1 3.69Å; Y360-H428 PolarHBondContact OH-CE1 3.44Å; Y360-H428 PolarHBondContact OH-ND1 2.85Å; Y360-Q430 HydrophobicContact CE1-CG 4.21Å; Y360-Q430 HydrophobicContact CE2-CG 4.41Å; Y360-Q430 VanDerWaalsContact CE2-OE1 3.24Å; Y360-Q430 WeakPolarHBondContact OH-CB 3.38Å; Y360-Q430 WeakPolarHBondContact OH-CG 3.11Å; Y360-Q430 PolarHBondContact OH-OE1 2.97Å; Y360-T431 HydrophobicContact CD1-CG2 4.15Å; Y360-T431 HydrophobicContact CE1-CG2 3.22Å; Y360-T431 VanDerWaalsContact CZ-CG2 3.47Å; Y360-T431 VanDerWaalsContact OH-CG2 3.31Å; Y360-T431 WeakPolarHBondContact OH-CG2 3.46Å; Y360-T431 PolarHBondContact OH-N 2.84Å | ||
| 361 | D | 48.5 | Very low | 56.9 | Low | 110 Ų | 110 | 77.9 Ų | 77.9 | 59% | 0.588 | 39% | 0.391 | S | S | * | . | trans | -78.4 | 88.7 | -168.3 | -149.9 | 0.8 | 0 | 0 | 0 | 111.4 | D359 K363 | D359-D361 PolarHBondContact OD1-N 3.46Å; D361-K363 PolarHBondContact O-N 3.32Å | ||
| 362 | H | 44.1 | Very low | 55.7 | Low | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.606 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.5 | -177.6 | -74.1 | -67.1 | 0 | 0 | 0 | 114.3 | Y360 Y387 | Y360-H362 PolarHBondContact O-N 3.36Å; H362-Y387 AromaticContact CE1-CE1 3.59Å; H362-Y387 AromaticContact NE2-CE1 3.81Å |
| 363 | K | 41.7 | Very low | 54.2 | Low | 192 Ų | 192 | 83.2 Ų | 83.2 | 84% | 0.835 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.7 | -165.9 | -73.8 | -170.5 | 176.4 | -178.7 | 0 | 116.5 | D361 | D361-K363 PolarHBondContact O-N 3.32Š|
| 364 | K | 36.8 | Very low | 53.2 | Low | 178 Ų | 178 | 87.7 Ų | 87.7 | 77% | 0.774 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -126.6 | -4.7 | -173.1 | -83.1 | -174.3 | 177 | 176.7 | 0 | 119 | ||
| 365 | R | 36.1 | Very low | 52 | Low | 160 Ų | 160 | 93.9 Ų | 93.9 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | trans | -147.3 | 95.9 | 179.2 | -66.7 | -176.2 | 177 | 160.5 | -2.8 | 111.8 | L367 | R365-L367 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact O-N 3.11Å | ||
| 366 | S | 34.7 | Very low | 50.1 | Low | 124 Ų | 124 | 102.3 Ų | 102.3 | 87% | 0.867 | 48% | 0.482 | S | S | * | . | trans | -69 | 102 | 158.3 | 57.9 | 0 | 0 | 0 | 0 | 107.3 | S368 | S366-S368 PolarHBondContact O-N 2.96Š| ||
| 367 | L | 37.5 | Very low | 48 | Very low | 65 Ų | 65 | 104.3 Ų | 104.3 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | trans | -58.2 | 127.9 | 169.9 | -84.6 | 94.2 | 0 | 0 | 0 | 108.6 | R365 I369 | R365-L367 PolarHBondContact O-N 2.95Å; R365-L367 VanDerWaalsContact O-N 3.11Å; L367-I369 HydrophobicContact CB-CG1 4.11Å; L367-I369 PolarHBondContact O-N 3.48Å | ||
| 368 | S | 42.2 | Very low | 46.4 | Very low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | trans | -68.9 | 75.6 | 167.1 | 38.6 | 0 | 0 | 0 | 0 | 109.1 | S366 S370 | S366-S368 PolarHBondContact O-N 2.96Å; S368-S370 PolarHBondContact O-N 3.37Å | ||
| 369 | I | 38.3 | Very low | 45 | Very low | 44 Ų | 44 | 118.1 Ų | 118.1 | 23% | 0.226 | 56% | 0.564 | C | S | . | * | trans | -65.5 | 128.5 | 178.6 | -62.2 | 166.4 | 0 | 0 | 0 | 108.8 | L367 K371 F373 K374 L386 | L367-I369 HydrophobicContact CB-CG1 4.11Å; L367-I369 PolarHBondContact O-N 3.48Å; I369-K371 PolarHBondContact O-N 3.23Å; I369-F373 HydrophobicContact CG2-CB 3.65Å; I369-F373 HydrophobicContact CG2-CD1 4.13Å; I369-F373 HydrophobicContact CG2-CG 4.3Å; I369-K374 HydrophobicContact CB-CG 4.45Å; I369-K374 HydrophobicContact CG2-CG 4.15Å; I369-L386 HydrophobicContact CD1-CD2 4.41Å | ||
| 370 | S | 43.5 | Very low | 43.4 | Very low | 45 Ų | 45 | 116.9 Ų | 116.9 | 32% | 0.315 | 56% | 0.56 | S | S | . | * | trans | -45.5 | 137.4 | 169.4 | 158.8 | 0 | 0 | 0 | 0 | 111.2 | S368 E372 F373 K374 | S368-S370 PolarHBondContact O-N 3.37Å; S370-E372 PolarHBondContact O-N 2.94Å; S370-E372 WeakPolarHBondContact OG-CB 3.15Å; S370-E372 PolarHBondContact OG-N 3.27Å; S370-E372 VanDerWaalsContact OG-N 3.16Å; S370-F373 PolarHBondContact O-N 3.4Å; S370-K374 PolarHBondContact O-N 3.45Å; S370-K374 VanDerWaalsContact O-N 3.09Å | ||
| 371 | K | 49.2 | Very low | 42.7 | Very low | 179 Ų | 179 | 120.5 Ų | 120.5 | 78% | 0.778 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -51.1 | -29.6 | 175.4 | -78.8 | -179.2 | 178 | 173.7 | 0 | 112.3 | I369 R375 | I369-K371 PolarHBondContact O-N 3.23Å; K371-R375 WeakPolarHBondContact O-CG 3.32Å; K371-R375 PolarHBondContact O-N 2.81Å |
| 372 | E | 43.7 | Very low | 42.3 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -39.2 | -179 | -158.8 | 165.9 | -158 | 0 | 0 | 112.7 | S370 R375 R376 | S370-E372 PolarHBondContact O-N 2.94Å; S370-E372 WeakPolarHBondContact OG-CB 3.15Å; S370-E372 PolarHBondContact OG-N 3.27Å; S370-E372 VanDerWaalsContact OG-N 3.16Å; E372-R375 PolarHBondContact O-N 3.26Å; E372-R376 PolarHBondContact O-N 3.48Å |
| 373 | F | 39.7 | Very low | 42.2 | Very low | 45 Ų | 45 | 117.5 Ų | 117.5 | 20% | 0.197 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -74.6 | -34.5 | 174.8 | -151.3 | -89.2 | 0 | 0 | 0 | 111.2 | I369 S370 R375 R376 I377 L386 W477 | I369-F373 HydrophobicContact CG2-CB 3.65Å; I369-F373 HydrophobicContact CG2-CD1 4.13Å; I369-F373 HydrophobicContact CG2-CG 4.3Å; S370-F373 PolarHBondContact O-N 3.4Å; F373-R375 VanDerWaalsContact C-N 3.33Å; F373-R375 PolarHBondContact O-N 3.23Å; F373-R376 PolarHBondContact O-N 3.35Å; F373-I377 HydrophobicContact CD1-CD1 3.64Å; F373-I377 HydrophobicContact CD1-CG1 4.11Å; F373-I377 HydrophobicContact CE1-CD1 3.9Å; F373-I377 HydrophobicContact CE1-CG1 4.22Å; F373-I377 WeakPolarHBondContact O-CG1 3.46Å; F373-I377 PolarHBondContact O-N 3.39Å; F373-L386 HydrophobicContact CE1-CD1 4.35Å; F373-W477 HydrophobicContact CZ-CZ2 4.42Å |
| 374 | K | 45.4 | Very low | 42.6 | Very low | 126 Ų | 126 | 111.7 Ų | 111.7 | 55% | 0.548 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.2 | -42.6 | 167.6 | -84.4 | -175.9 | 176.7 | 178.2 | 0 | 111.8 | I369 S370 R376 I377 S378 | I369-K374 HydrophobicContact CB-CG 4.45Å; I369-K374 HydrophobicContact CG2-CG 4.15Å; S370-K374 PolarHBondContact O-N 3.45Å; S370-K374 VanDerWaalsContact O-N 3.09Å; K374-R376 VanDerWaalsContact C-N 3.33Å; K374-R376 PolarHBondContact O-N 2.89Å; K374-I377 PolarHBondContact O-N 2.95Å; K374-S378 WeakPolarHBondContact O-CB 3.45Å; K374-S378 PolarHBondContact O-N 3.29Å; K374-S378 PolarHBondContact O-OG 2.95Å |
| 375 | R | 50.7 | Low | 43.4 | Very low | 193 Ų | 193 | 106.1 Ų | 106.1 | 73% | 0.728 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -37.2 | 175.9 | -81.7 | -178.1 | -175.1 | 166.6 | 0.5 | 112.6 | K371 E372 F373 | K371-R375 WeakPolarHBondContact O-CG 3.32Å; K371-R375 PolarHBondContact O-N 2.81Å; E372-R375 PolarHBondContact O-N 3.26Å; F373-R375 VanDerWaalsContact C-N 3.33Å; F373-R375 PolarHBondContact O-N 3.23Å |
| 376 | R | 42.7 | Very low | 44.3 | Very low | 180 Ų | 180 | 100.9 Ų | 100.9 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.9 | -42.6 | 175.1 | -72.5 | -172.3 | -177 | 179 | 2.2 | 112.5 | E372 F373 K374 S378 K379 | E372-R376 PolarHBondContact O-N 3.48Å; F373-R376 PolarHBondContact O-N 3.35Å; K374-R376 VanDerWaalsContact C-N 3.33Å; K374-R376 PolarHBondContact O-N 2.89Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.37Å; R376-K379 PolarHBondContact O-N 3.49Å |
| 377 | I | 42.2 | Very low | 46 | Very low | 42 Ų | 42 | 97 Ų | 97 | 22% | 0.215 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -63.6 | -34.1 | 174.2 | -66.2 | 166.6 | 0 | 0 | 0 | 111.4 | F373 K374 K379 S380 W477 | F373-I377 HydrophobicContact CD1-CD1 3.64Å; F373-I377 HydrophobicContact CD1-CG1 4.11Å; F373-I377 HydrophobicContact CE1-CD1 3.9Å; F373-I377 HydrophobicContact CE1-CG1 4.22Å; F373-I377 WeakPolarHBondContact O-CG1 3.46Å; F373-I377 PolarHBondContact O-N 3.39Å; K374-I377 PolarHBondContact O-N 2.95Å; I377-K379 PolarHBondContact O-N 2.96Å; I377-S380 PolarHBondContact O-N 3.06Å; I377-S380 PolarHBondContact O-OG 3.23Å; I377-W477 HydrophobicContact CG1-CH2 4.03Å |
| 378 | S | 49.1 | Very low | 47.7 | Very low | 98 Ų | 98 | 95 Ų | 95 | 69% | 0.685 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.9 | -178.6 | -54.5 | 0 | 0 | 0 | 0 | 114 | K374 R376 | K374-S378 WeakPolarHBondContact O-CB 3.45Å; K374-S378 PolarHBondContact O-N 3.29Å; K374-S378 PolarHBondContact O-OG 2.95Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.37Å |
| 379 | K | 48.3 | Very low | 49.3 | Very low | 197 Ų | 197 | 89.9 Ų | 89.9 | 86% | 0.857 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8.6 | 174.2 | -70.2 | -169.2 | 175.5 | -176.3 | 0 | 114 | R376 I377 | R376-K379 PolarHBondContact O-N 3.49Å; I377-K379 PolarHBondContact O-N 2.96Å |
| 380 | S | 38.7 | Very low | 51.2 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -108.6 | 125.4 | 170.8 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | I377 S382 E384 | I377-S380 PolarHBondContact O-N 3.06Å; I377-S380 PolarHBondContact O-OG 3.23Å; S380-S382 PolarHBondContact O-N 3.37Å; S380-S382 VanDerWaalsContact O-N 3.13Å; S380-E384 PolarHBondContact OG-OE2 2.97Å |
| 381 | S | 44 | Very low | 52.9 | Low | 138 Ų | 138 | 87.2 Ų | 87.2 | 97% | 0.965 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -80.9 | 19 | -168.9 | 49.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 382 | S | 39.6 | Very low | 54.1 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -123.7 | 135 | 175 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | S380 E384 | S380-S382 PolarHBondContact O-N 3.37Å; S380-S382 VanDerWaalsContact O-N 3.13Å; S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 WeakPolarHBondContact O-CG 3.38Å; S382-E384 PolarHBondContact O-N 2.92Å |
| 383 | A | 42.5 | Very low | 55.2 | Low | 109 Ų | 109 | 80.3 Ų | 80.3 | 90% | 0.901 | 43% | 0.427 | S | S | * | . | trans | -60.3 | 84.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 384 | E | 48.9 | Very low | 56.1 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 33% | 0.327 | 42% | 0.419 | S | S | . | . | trans | -82.6 | 127.5 | -172.9 | -80.1 | 176.6 | 139.1 | 0 | 0 | 111.1 | S380 S382 L386 S476 W477 | S380-E384 PolarHBondContact OG-OE2 2.97Å; S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 WeakPolarHBondContact O-CG 3.38Å; S382-E384 PolarHBondContact O-N 2.92Å; E384-L386 PolarHBondContact O-N 3.46Å; E384-S476 PolarHBondContact OE1-OG 3.14Å; E384-S476 VanDerWaalsContact OE1-OG 3.05Å; E384-W477 WeakPolarHBondContact OE2-CZ3 3.44Å | ||
| 385 | S | 54.5 | Low | 56.4 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | trans | -79.4 | 115.6 | -177 | -58 | 0 | 0 | 0 | 0 | 110.7 | Y387 | S385-Y387 WeakPolarHBondContact O-CD2 3.43Å; S385-Y387 WeakPolarHBondContact O-CE2 3.33Å | ||
| 386 | L | 55.9 | Low | 56.5 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | trans | -92.5 | 123.7 | 174.2 | -154.6 | 86.9 | 0 | 0 | 0 | 109.3 | I369 F373 E384 A473 | I369-L386 HydrophobicContact CD1-CD2 4.41Å; F373-L386 HydrophobicContact CE1-CD1 4.35Å; E384-L386 PolarHBondContact O-N 3.46Å; L386-A473 HydrophobicContact CD1-CB 4.37Å; L386-A473 HydrophobicContact CD2-CB 3.82Å; L386-A473 HydrophobicContact CG-CB 3.91Å | ||
| 387 | Y | 69.9 | Low | 57 | Low | 43 Ų | 43 | 64.3 Ų | 64.3 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.2 | -179.1 | -54.7 | -89.5 | 0 | 0 | 0 | 111.5 | V358 Y360 H362 S385 T431 A473 C474 | V358-Y387 HydrophobicContact CG1-CG 4.09Å; Y360-Y387 HydrophobicContact CD1-CE1 4.26Å; H362-Y387 AromaticContact CE1-CE1 3.59Å; H362-Y387 AromaticContact NE2-CE1 3.81Å; S385-Y387 WeakPolarHBondContact O-CD2 3.43Å; S385-Y387 WeakPolarHBondContact O-CE2 3.33Å; Y387-T431 HydrophobicContact CD1-CG2 3.96Å; Y387-T431 HydrophobicContact CD2-CG2 3.69Å; Y387-T431 HydrophobicContact CE1-CG2 3.94Å; Y387-T431 HydrophobicContact CE2-CG2 3.66Å; Y387-T431 HydrophobicContact CG-CG2 3.84Å; Y387-A473 CarbonylContact O-C 3.5Å; Y387-A473 WeakPolarHBondContact O-CA 3.25Å; Y387-C474 PolarHBondContact N-O 3.3Å; Y387-C474 VanDerWaalsContact N-O 3.1Å; Y387-C474 PolarHBondContact O-N 2.96Å |
| 388 | S | 72.5 | Confident | 57.8 | Low | 24 Ų | 24 | 71.8 Ų | 71.8 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.2 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | D359 Q471 | D359-S388 PolarHBondContact N-O 3.31Å; S388-Q471 PolarHBondContact OG-NE2 2.92Å; S388-Q471 VanDerWaalsContact OG-NE2 3.14Å |
| 389 | L | 77.1 | Confident | 58.8 | Low | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133.4 | 170.4 | -157.9 | 69.5 | 0 | 0 | 0 | 109.6 | V304 L356 V358 F404 V435 L472 | V304-L389 HydrophobicContact CG1-CD2 4.15Å; L356-L389 HydrophobicContact CD1-CD1 4.1Å; L356-L389 HydrophobicContact CD1-CD2 3.78Å; L356-L389 HydrophobicContact CD1-CG 3.77Å; L356-L389 HydrophobicContact CG-CD1 4.16Å; L356-L389 HydrophobicContact CG-CD2 4.48Å; L356-L389 HydrophobicContact CG-CG 4.39Å; V358-L389 HydrophobicContact CG2-CD1 3.99Å; L389-F404 HydrophobicContact CD1-CE1 4.49Å; L389-F404 HydrophobicContact CD1-CZ 4.21Å; L389-V435 HydrophobicContact CD1-CG2 4.4Å; L389-V435 HydrophobicContact CD2-CG1 4.15Å; L389-L472 HydrophobicContact CB-CB 4.04Å; L389-L472 HydrophobicContact CD2-CB 3.91Å; L389-L472 HydrophobicContact CD2-CD1 4.08Å; L389-L472 PolarHBondContact N-O 3.16Å; L389-L472 VanDerWaalsContact N-O 3.16Å |
| 390 | T | 77.3 | Confident | 60 | Low | 29 Ų | 29 | 61.6 Ų | 61.6 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 176.7 | -178.6 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | S357 D359 T392 | S357-T390 PolarHBondContact N-O 3.34Å; S357-T390 CarbonylContact O-C 3.31Å; S357-T390 PolarHBondContact O-N 2.82Å; S357-T390 WeakPolarHBondContact OG-CG2 3.13Å; S357-T390 PolarHBondContact OG-O 2.98Å; D359-T390 HydrophobicContact CB-CG2 3.83Å; T390-T392 HydrophobicContact CG2-CG2 4.1Å |
| 391 | S | 80 | Confident | 61.9 | Low | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.028 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.6 | 170.4 | 72.2 | 0 | 0 | 0 | 0 | 111.5 | Q295 R354 Y355 | Q295-S391 VanDerWaalsContact CD-OG 3.24Å; Q295-S391 PolarHBondContact NE2-OG 3.48Å; Q295-S391 PolarHBondContact OE1-OG 3.02Å; R354-S391 WeakPolarHBondContact CD-OG 3.47Å; Y355-S391 VanDerWaalsContact O-CA 3.25Å; Y355-S391 WeakPolarHBondContact O-CA 3.26Å |
| 392 | T | 74.5 | Confident | 63.8 | Low | 49 Ų | 49 | 54 Ų | 54 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.3 | -179.1 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | Y355 S357 T390 | Y355-T392 PolarHBondContact N-O 3.34Å; Y355-T392 PolarHBondContact O-N 3.2Å; S357-T392 WeakPolarHBondContact CB-OG1 3.35Å; S357-T392 WeakPolarHBondContact OG-CB 3.35Å; S357-T392 VanDerWaalsContact OG-CG2 3.26Å; S357-T392 WeakPolarHBondContact OG-CG2 3.36Å; S357-T392 PolarHBondContact OG-N 3.41Å; S357-T392 PolarHBondContact OG-OG1 3.36Å; T390-T392 HydrophobicContact CG2-CG2 4.1Å |
| 393 | H | 66.5 | Low | 66 | Low | 115 Ų | 115 | 51.9 Ų | 51.9 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | trans | -90 | 108.5 | 165.4 | -72.3 | -74.8 | 0 | 0 | 0 | 107.7 | R354 | R354-H393 VanDerWaalsContact CG-CE1 3.45Å; R354-H393 WeakPolarHBondContact CG-CE1 3.48Å; R354-H393 PolarHBondContact NE-CD2 2.57Å; R354-H393 VanDerWaalsContact NE-CD2 3.34Å; R354-H393 PolarHBondContact NE-NE2 3.43Å; R354-H393 PolarHBondContact NH2-NE2 3.41Å | ||
| 394 | S | 58 | Low | 68.2 | Low | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | trans | -79.2 | 134.1 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | S396 D399 | S394-S396 PolarHBondContact OG-O 2.97Å; S394-S396 VanDerWaalsContact OG-O 3.11Å; S394-D399 WeakPolarHBondContact OG-CB 3.35Å; S394-D399 PolarHBondContact OG-OD2 3.49Å | ||
| 395 | T | 52.1 | Low | 70 | Confident | 98 Ų | 98 | 46.4 Ų | 46.4 | 60% | 0.601 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -91.6 | -22.6 | -178.4 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | H72 | H72-T395 WeakPolarHBondContact O-CA 3.4Š|
| 396 | S | 51.4 | Low | 71.6 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -126.6 | 139.5 | -177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | S394 R398 D399 | S394-S396 PolarHBondContact OG-O 2.97Å; S394-S396 VanDerWaalsContact OG-O 3.11Å; S396-R398 PolarHBondContact O-N 3.06Å; S396-R398 PolarHBondContact OG-N 3.42Å; S396-R398 VanDerWaalsContact OG-N 3.13Å; S396-D399 WeakPolarHBondContact O-CB 3.44Å; S396-D399 PolarHBondContact O-N 3.38Å; S396-D399 VanDerWaalsContact O-N 3.15Å |
| 397 | P | 53.7 | Low | 73 | Confident | 56 Ų | 56 | 42.5 Ų | 42.5 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -21.7 | 169.5 | 16.3 | -24.6 | 0 | 0 | 0 | 113.8 | T71 R346 | T71-P397 VanDerWaalsContact CG2-CA 3.45Å; T71-P397 HydrophobicContact CG2-CB 3.79Å; T71-P397 HydrophobicContact CG2-CG 4.28Å; R346-P397 PolarHBondContact NH1-O 3.25Å |
| 398 | R | 59.9 | Low | 73.7 | Confident | 200 Ų | 200 | 41 Ų | 41 | 76% | 0.755 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 17.5 | -177.1 | -61.8 | -175.1 | 178.6 | 179.9 | -0.8 | 113.4 | S396 A400 | S396-R398 PolarHBondContact O-N 3.06Å; S396-R398 PolarHBondContact OG-N 3.42Å; S396-R398 VanDerWaalsContact OG-N 3.13Å; R398-A400 PolarHBondContact O-N 2.9Å |
| 399 | D | 70.1 | Confident | 74 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | trans | -66 | 106 | 175.7 | -175.2 | -6.8 | 0 | 0 | 0 | 110.7 | S394 S396 S401 T402 | S394-D399 WeakPolarHBondContact OG-CB 3.35Å; S394-D399 PolarHBondContact OG-OD2 3.49Å; S396-D399 WeakPolarHBondContact O-CB 3.44Å; S396-D399 PolarHBondContact O-N 3.38Å; S396-D399 VanDerWaalsContact O-N 3.15Å; D399-S401 VanDerWaalsContact CG-OG 3.28Å; D399-S401 PolarHBondContact O-N 2.99Å; D399-S401 WeakPolarHBondContact OD1-CB 3.32Å; D399-S401 PolarHBondContact OD1-N 3.42Å; D399-S401 PolarHBondContact OD1-OG 3.33Å; D399-S401 PolarHBondContact OD2-OG 2.87Å; D399-T402 PolarHBondContact O-N 2.9Å; D399-T402 VanDerWaalsContact O-N 3.16Å; D399-T402 PolarHBondContact O-OG1 2.87Å | ||
| 400 | A | 73.8 | Confident | 74 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -61.1 | -19.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R398 T402 Q430 | R398-A400 PolarHBondContact O-N 2.9Å; A400-T402 PolarHBondContact O-N 3.4Å; A400-Q430 HydrophobicContact CB-CB 3.83Å; A400-Q430 HydrophobicContact CB-CG 3.97Å; A400-Q430 VanDerWaalsContact O-CB 3.26Å; A400-Q430 WeakPolarHBondContact O-CB 3.02Å; A400-Q430 PolarHBondContact O-OE1 3.44Å |
| 401 | S | 78.6 | Confident | 73.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -77.1 | -7.9 | -178.6 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | S357 V358 D399 H428 | S357-S401 WeakPolarHBondContact CA-O 3.43Å; S357-S401 WeakPolarHBondContact CB-O 3.46Å; V358-S401 PolarHBondContact N-O 3.31Å; D399-S401 VanDerWaalsContact CG-OG 3.28Å; D399-S401 PolarHBondContact O-N 2.99Å; D399-S401 WeakPolarHBondContact OD1-CB 3.32Å; D399-S401 PolarHBondContact OD1-N 3.42Å; D399-S401 PolarHBondContact OD1-OG 3.33Å; D399-S401 PolarHBondContact OD2-OG 2.87Å; S401-H428 PolarHBondContact O-NE2 3.01Å |
| 402 | T | 82.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -112 | -0.5 | -179.1 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | R346 Y355 D399 A400 F404 | R346-T402 WeakPolarHBondContact CD-OG1 3.19Å; R346-T402 WeakPolarHBondContact CG-O 3.34Å; Y355-T402 HydrophobicContact CG-CG2 4.46Å; D399-T402 PolarHBondContact O-N 2.9Å; D399-T402 VanDerWaalsContact O-N 3.16Å; D399-T402 PolarHBondContact O-OG1 2.87Å; A400-T402 PolarHBondContact O-N 3.4Å; T402-F404 VanDerWaalsContact O-CD2 3.32Å; T402-F404 WeakPolarHBondContact O-CD2 3.25Å |
| 403 | L | 85.9 | Confident | 73.7 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | trans | -91.2 | 123.5 | -171.4 | -60.8 | -176.7 | 0 | 0 | 0 | 111 | V329 V344 R346 H428 V429 | V329-L403 HydrophobicContact CG2-CD2 3.96Å; V344-L403 HydrophobicContact CG1-CB 3.75Å; V344-L403 HydrophobicContact CG1-CD1 4.31Å; V344-L403 HydrophobicContact CG1-CD2 3.82Å; V344-L403 HydrophobicContact CG1-CG 4.16Å; R346-L403 HydrophobicContact CG-CD2 3.82Å; L403-H428 PolarHBondContact O-CD2 3.48Å; L403-V429 HydrophobicContact CB-CB 3.9Å; L403-V429 HydrophobicContact CB-CG2 3.97Å; L403-V429 WeakPolarHBondContact O-CB 2.98Å; L403-V429 WeakPolarHBondContact O-CG2 3.48Å; L403-V429 PolarHBondContact O-N 3.27Å | ||
| 404 | F | 88.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.5 | 177.1 | -65.8 | -91.2 | 0 | 0 | 0 | 110.9 | F345 F347 L356 V358 L389 T402 L426 K427 H428 V435 | F345-F404 PolarHBondContact N-O 3.35Å; F345-F404 PolarHBondContact O-N 2.77Å; F347-F404 HydrophobicContact CD2-CB 4.47Å; F347-F404 HydrophobicContact CD2-CD2 4.16Å; F347-F404 HydrophobicContact CD2-CG 4.43Å; F347-F404 HydrophobicContact CE2-CB 4.06Å; F347-F404 HydrophobicContact CE2-CG 4.42Å; L356-F404 HydrophobicContact CB-CE2 4.18Å; L356-F404 HydrophobicContact CD2-CE2 4.14Å; L356-F404 HydrophobicContact CD2-CZ 4.05Å; L356-F404 HydrophobicContact CG-CE2 4.06Å; L356-F404 HydrophobicContact CG-CZ 4Å; L356-F404 WeakPolarHBondContact O-CE2 3.38Å; V358-F404 HydrophobicContact CG2-CZ 4.33Å; L389-F404 HydrophobicContact CD1-CE1 4.49Å; L389-F404 HydrophobicContact CD1-CZ 4.21Å; T402-F404 VanDerWaalsContact O-CD2 3.32Å; T402-F404 WeakPolarHBondContact O-CD2 3.25Å; F404-L426 HydrophobicContact CD1-CB 4.42Å; F404-K427 CarbonylContact C-O 3.44Å; F404-K427 VanDerWaalsContact CA-O 3.24Å; F404-K427 WeakPolarHBondContact CA-O 3.36Å; F404-H428 HydrophobicContact CD1-CB 4.1Å; F404-H428 HydrophobicContact CE1-CB 3.83Å; F404-H428 AromaticContact CE1-CD2 3.71Å; F404-H428 AromaticContact CZ-CD2 3.68Å; F404-V435 HydrophobicContact CE1-CG2 4.18Å |
| 405 | Q | 87.8 | Confident | 75 | Confident | 65 Ų | 65 | 67 Ų | 67 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 140.7 | 169.4 | -171.6 | 179.6 | 0.7 | 0 | 0 | 108.9 | K427 V429 | Q405-K427 HydrophobicContact CB-CB 4.4Å; Q405-K427 PolarHBondContact N-O 3.29Å; Q405-K427 PolarHBondContact O-N 3.03Å; Q405-V429 HydrophobicContact CB-CG2 4.34Å |
| 406 | L | 88.6 | Confident | 76.5 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.8 | 179 | -60.6 | -173.6 | 0 | 0 | 0 | 110.2 | L276 W341 F345 F347 V418 I424 L426 | L276-L406 HydrophobicContact CD2-CD1 3.82Å; W341-L406 HydrophobicContact CE3-CB 4.27Å; W341-L406 HydrophobicContact CZ3-CB 4.29Å; F345-L406 HydrophobicContact CD1-CD1 4.11Å; F345-L406 HydrophobicContact CD2-CB 4.33Å; F345-L406 HydrophobicContact CD2-CD1 3.8Å; F345-L406 HydrophobicContact CD2-CG 3.55Å; F345-L406 HydrophobicContact CE1-CD1 3.96Å; F345-L406 HydrophobicContact CE2-CB 4.13Å; F345-L406 HydrophobicContact CE2-CD1 3.65Å; F345-L406 HydrophobicContact CE2-CG 3.68Å; F345-L406 HydrophobicContact CG-CD1 4.02Å; F345-L406 HydrophobicContact CG-CG 4.05Å; F345-L406 HydrophobicContact CZ-CD1 3.73Å; F345-L406 HydrophobicContact CZ-CG 4.29Å; F347-L406 HydrophobicContact CE2-CD2 4.46Å; F347-L406 HydrophobicContact CZ-CD2 4.03Å; L406-V418 HydrophobicContact CD1-CG1 4.36Å; L406-I424 HydrophobicContact CB-CG2 4.5Å; L406-I424 HydrophobicContact CD1-CD1 4.43Å; L406-I424 HydrophobicContact CD2-CB 4.42Å; L406-I424 HydrophobicContact CD2-CD1 3.42Å; L406-I424 VanDerWaalsContact CD2-CD1 3.42Å; L406-I424 HydrophobicContact CD2-CG1 4.48Å; L406-I424 HydrophobicContact CG-CD1 4.46Å; L406-L426 HydrophobicContact CD2-CD2 3.48Å; L406-L426 VanDerWaalsContact CD2-CD2 3.48Å |
| 407 | D | 85.2 | Confident | 78 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.8 | 173.9 | -178.1 | 61.8 | 0 | 0 | 0 | 109.9 | I424 R425 W434 K478 | D407-I424 WeakPolarHBondContact O-CA 3.49Å; D407-R425 HydrophobicContact CB-CB 4.23Å; D407-R425 PolarHBondContact N-O 3.04Å; D407-R425 PolarHBondContact O-N 2.86Å; D407-R425 IonicContact OD2-NH1 3.85Å; D407-R425 PolarHBondContact OD2-NH1 3.3Å; D407-W434 HydrophobicContact CB-CH2 3.51Å; D407-W434 HydrophobicContact CB-CZ3 3.5Å; D407-W434 VanDerWaalsContact CB-CZ3 3.5Å; D407-K478 IonicContact OD1-NZ 2.75Å; D407-K478 WeakPolarHBondContact OD2-CE 3.35Å; D407-K478 IonicContact OD2-NZ 3.16Å; D407-K478 PolarHBondContact OD2-NZ 3.04Å |
| 408 | P | 83.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 144.1 | 176.7 | 29.6 | -33 | 0 | 0 | 0 | 110.8 | W341 T410 T412 | W341-P408 HydrophobicContact CD2-CB 3.99Å; W341-P408 HydrophobicContact CD2-CG 4.08Å; W341-P408 HydrophobicContact CE3-CB 3.8Å; W341-P408 HydrophobicContact CE3-CG 4Å; W341-P408 HydrophobicContact CH2-CB 3.69Å; W341-P408 HydrophobicContact CZ2-CB 3.89Å; W341-P408 HydrophobicContact CZ3-CB 3.64Å; W341-P408 HydrophobicContact CZ3-CG 4.32Å; P408-T410 VanDerWaalsContact C-N 3.26Å; P408-T410 WeakPolarHBondContact CB-O 3.4Å; P408-T412 WeakPolarHBondContact CB-OG1 3.36Å; P408-T412 WeakPolarHBondContact CG-OG1 3.49Å |
| 409 | T | 78.5 | Confident | 80.6 | Confident | 54 Ų | 54 | 56 Ų | 56 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -75.9 | -17.3 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | Y423 A483 | T409-Y423 PolarHBondContact N-O 3.38Å; T409-Y423 PolarHBondContact OG1-O 3.46Å; T409-A483 HydrophobicContact CG2-CB 4.01Å |
| 410 | T | 77.2 | Confident | 80.8 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -114.7 | 149.6 | 179.7 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | P408 T412 | P408-T410 VanDerWaalsContact C-N 3.26Å; P408-T410 WeakPolarHBondContact CB-O 3.4Å; T410-T412 PolarHBondContact O-N 3.49Å; T410-T412 PolarHBondContact O-OG1 3.38Å |
| 411 | L | 72.7 | Confident | 81 | Confident | 189 Ų | 189 | 62.4 Ų | 62.4 | 99% | 0.99 | 33% | 0.329 | S | S | * | . | trans | -62.6 | 107.9 | 177.1 | -80.6 | 159.1 | 0 | 0 | 0 | 110.2 | ||||
| 412 | T | 75.3 | Confident | 81.4 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -134.6 | 156 | 179.1 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | P408 T410 M414 | P408-T412 WeakPolarHBondContact CB-OG1 3.36Å; P408-T412 WeakPolarHBondContact CG-OG1 3.49Å; T410-T412 PolarHBondContact O-N 3.49Å; T410-T412 PolarHBondContact O-OG1 3.38Å; T412-M414 PolarHBondContact O-N 3.16Å | ||
| 413 | K | 77.9 | Confident | 81.6 | Confident | 177 Ų | 177 | 68.3 Ų | 68.3 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | trans | -66.3 | 130.2 | 175.5 | -68.7 | -177.4 | 179.1 | 179.8 | 0 | 109.1 | D415 A416 | K413-D415 PolarHBondContact O-N 2.98Å; K413-D415 VanDerWaalsContact O-N 3.13Å; K413-A416 HydrophobicContact CB-CB 4.28Å; K413-A416 WeakPolarHBondContact O-CB 3.33Å; K413-A416 PolarHBondContact O-N 2.81Å | ||
| 414 | M | 76.1 | Confident | 81.7 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 47% | 0.473 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.6 | -177.1 | -70.2 | -68.6 | 170.3 | 0 | 0 | 114 | W341 N342 T412 | W341-M414 WeakPolarHBondContact CB-O 3.38Å; W341-M414 HydrophobicContact CB-SD 4.27Å; W341-M414 PolarHBondContact N-O 3.45Å; N342-M414 PolarHBondContact N-O 3.04Å; N342-M414 PolarHBondContact OD1-O 2.94Å; T412-M414 PolarHBondContact O-N 3.16Å |
| 415 | D | 76 | Confident | 81.6 | Confident | 111 Ų | 111 | 68 Ų | 68 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -2.5 | 174.3 | -62.3 | -43.4 | 0 | 0 | 0 | 113.5 | N342 K413 | N342-D415 PolarHBondContact ND2-OD1 2.79Å; K413-D415 PolarHBondContact O-N 2.98Å; K413-D415 VanDerWaalsContact O-N 3.13Å |
| 416 | A | 82.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 65 Ų | 65 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -71.5 | 152.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R340 W341 K413 | R340-A416 WeakPolarHBondContact CA-O 3.35Å; W341-A416 VanDerWaalsContact CD1-O 3.22Å; W341-A416 PolarHBondContact N-O 3.38Å; K413-A416 HydrophobicContact CB-CB 4.28Å; K413-A416 WeakPolarHBondContact O-CB 3.33Å; K413-A416 PolarHBondContact O-N 2.81Å |
| 417 | L | 84 | Confident | 81.5 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 136.9 | 176.3 | -66.6 | 173.7 | 0 | 0 | 0 | 110.7 | L272 V275 A338 R340 P419 | L272-L417 HydrophobicContact CD1-CD1 4.36Å; V275-L417 HydrophobicContact CG1-CB 3.77Å; V275-L417 HydrophobicContact CG1-CD1 4.24Å; V275-L417 HydrophobicContact CG1-CD2 4.13Å; V275-L417 HydrophobicContact CG1-CG 4.26Å; V275-L417 HydrophobicContact CG2-CB 4.14Å; V275-L417 HydrophobicContact CG2-CD1 4.06Å; A338-L417 HydrophobicContact CB-CD2 3.67Å; R340-L417 HydrophobicContact CG-CD2 4.16Å; L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.29Å |
| 418 | V | 84.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 119.4 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | L276 G339 W341 F345 L406 | L276-V418 HydrophobicContact CB-CB 4.06Å; L276-V418 HydrophobicContact CB-CG1 4.03Å; L276-V418 WeakPolarHBondContact CB-O 3.35Å; L276-V418 HydrophobicContact CD2-CB 4.36Å; L276-V418 HydrophobicContact CD2-CG1 3.84Å; L276-V418 PolarHBondContact N-O 3.46Å; G339-V418 PolarHBondContact O-N 2.99Å; W341-V418 HydrophobicContact CD2-CG2 3.76Å; W341-V418 HydrophobicContact CE3-CG2 3.91Å; W341-V418 HydrophobicContact CG-CG2 4.12Å; W341-V418 HydrophobicContact CH2-CG1 3.97Å; W341-V418 HydrophobicContact CZ2-CG1 4.18Å; W341-V418 HydrophobicContact CZ2-CG2 4.45Å; W341-V418 HydrophobicContact CZ3-CG1 4.19Å; W341-V418 HydrophobicContact CZ3-CG2 4.32Å; F345-V418 HydrophobicContact CZ-CG2 4.16Å; L406-V418 HydrophobicContact CD1-CG1 4.36Å |
| 419 | P | 83.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 145.3 | 176.1 | -18.7 | 32.8 | 0 | 0 | 0 | 111.8 | L417 Q421 S422 | L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.29Å; P419-Q421 PolarHBondContact O-N 3.11Å; P419-S422 WeakPolarHBondContact O-CB 3.13Å; P419-S422 PolarHBondContact O-OG 3.12Å |
| 420 | R | 74.4 | Confident | 81.8 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -63.5 | -21.6 | -179.4 | -102.4 | 173.1 | 175.4 | -164.6 | -5.9 | 115.3 | P273 N274 V275 D280 I486 T488 | P273-R420 WeakPolarHBondContact O-CD 3.07Å; P273-R420 PolarHBondContact O-NE 3.31Å; P273-R420 PolarHBondContact O-NH1 3.05Å; N274-R420 PolarHBondContact O-N 3.36Å; V275-R420 PolarHBondContact O-NE 3.29Å; D280-R420 IonicContact OD1-CZ 3.29Å; D280-R420 IonicContact OD1-NH2 2.76Å; D280-R420 PolarHBondContact OD1-NH2 3.02Å; D280-R420 IonicContact OD2-CZ 2.71Å; D280-R420 VanDerWaalsContact OD2-CZ 3.29Å; D280-R420 IonicContact OD2-NE 3.73Å; D280-R420 PolarHBondContact OD2-NE 3.17Å; D280-R420 IonicContact OD2-NH2 2.65Å; D280-R420 PolarHBondContact OD2-NH2 2.98Å; R420-I486 WeakPolarHBondContact O-CG2 3.22Å; R420-T488 HydrophobicContact CB-CG2 3.58Å; R420-T488 HydrophobicContact CG-CG2 3.8Å |
| 421 | Q | 77.8 | Confident | 81.9 | Confident | 154 Ų | 154 | 66.8 Ų | 66.8 | 72% | 0.72 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -121 | 68 | 177.5 | -69.5 | -179.8 | -26.9 | 0 | 0 | 109.3 | P419 | P419-Q421 PolarHBondContact O-N 3.11Š|
| 422 | S | 85.5 | Confident | 82.4 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | trans | -120.8 | 154.1 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | P419 I486 | P419-S422 WeakPolarHBondContact O-CB 3.13Å; P419-S422 PolarHBondContact O-OG 3.12Å; S422-I486 PolarHBondContact O-N 3.46Å | ||
| 423 | Y | 86.7 | Confident | 82.7 | Confident | 127 Ų | 127 | 60 Ų | 60 | 50% | 0.498 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.6 | 171.1 | -68.7 | -92.1 | 0 | 0 | 0 | 108.8 | A287 T409 F484 A485 | A287-Y423 HydrophobicContact CB-CD1 4.21Å; A287-Y423 HydrophobicContact CB-CE1 3.87Å; T409-Y423 PolarHBondContact N-O 3.38Å; T409-Y423 PolarHBondContact OG1-O 3.46Å; Y423-F484 WeakPolarHBondContact CA-O 3.44Å; Y423-A485 HydrophobicContact CD1-CB 3.84Å; Y423-A485 HydrophobicContact CE1-CB 3.58Å |
| 424 | I | 88.3 | Confident | 83 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152.4 | -172.9 | 59.8 | 158.9 | 0 | 0 | 0 | 111.2 | L284 W341 L406 D407 L426 F484 I486 | L284-I424 HydrophobicContact CD2-CD1 4.16Å; W341-I424 HydrophobicContact CH2-CG2 4.06Å; W341-I424 HydrophobicContact CZ3-CG2 3.83Å; L406-I424 HydrophobicContact CB-CG2 4.5Å; L406-I424 HydrophobicContact CD1-CD1 4.43Å; L406-I424 HydrophobicContact CD2-CB 4.42Å; L406-I424 HydrophobicContact CD2-CD1 3.42Å; L406-I424 VanDerWaalsContact CD2-CD1 3.42Å; L406-I424 HydrophobicContact CD2-CG1 4.48Å; L406-I424 HydrophobicContact CG-CD1 4.46Å; D407-I424 WeakPolarHBondContact O-CA 3.49Å; I424-L426 HydrophobicContact CD1-CD2 3.8Å; I424-L426 HydrophobicContact CD1-CG 4.3Å; I424-F484 HydrophobicContact CG1-CB 4.22Å; I424-F484 VanDerWaalsContact CG1-O 3.31Å; I424-F484 WeakPolarHBondContact CG1-O 3.48Å; I424-F484 PolarHBondContact N-O 2.84Å; I424-F484 PolarHBondContact O-N 3.47Å; I424-I486 HydrophobicContact CD1-CD1 3.72Å; I424-I486 HydrophobicContact CD1-CG1 3.69Å; I424-I486 HydrophobicContact CG1-CD1 4.04Å; I424-I486 HydrophobicContact CG1-CG1 3.82Å; I424-I486 HydrophobicContact CG2-CD1 3.69Å; I424-I486 HydrophobicContact CG2-CG1 4.23Å |
| 425 | R | 86.5 | Confident | 83.4 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137 | 161.8 | -57.7 | 177.6 | -168.8 | 108.5 | -1.1 | 109 | D407 W434 D480 | D407-R425 HydrophobicContact CB-CB 4.23Å; D407-R425 PolarHBondContact N-O 3.04Å; D407-R425 PolarHBondContact O-N 2.86Å; D407-R425 IonicContact OD2-NH1 3.85Å; D407-R425 PolarHBondContact OD2-NH1 3.3Å; R425-W434 HydrophobicContact CB-CE3 3.83Å; R425-W434 HydrophobicContact CB-CZ3 3.66Å; R425-D480 IonicContact CZ-OD1 3.3Å; R425-D480 VanDerWaalsContact CZ-OD1 3.27Å; R425-D480 IonicContact NE-OD1 3.72Å; R425-D480 IonicContact NH1-OD1 2.82Å; R425-D480 IonicContact NH2-OD1 3.01Å; R425-D480 PolarHBondContact NH2-OD1 3.43Å |
| 426 | L | 87.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.9 | -177.3 | -68.9 | 173.5 | 0 | 0 | 0 | 109.8 | L284 F347 F404 L406 I424 W434 V435 F484 | L284-L426 HydrophobicContact CD1-CD1 4.33Å; F347-L426 HydrophobicContact CE2-CD2 3.6Å; F347-L426 HydrophobicContact CZ-CD2 3.88Å; F404-L426 HydrophobicContact CD1-CB 4.42Å; L406-L426 HydrophobicContact CD2-CD2 3.48Å; L406-L426 VanDerWaalsContact CD2-CD2 3.48Å; I424-L426 HydrophobicContact CD1-CD2 3.8Å; I424-L426 HydrophobicContact CD1-CG 4.3Å; L426-W434 WeakPolarHBondContact O-CA 3Å; L426-V435 HydrophobicContact CB-CB 4.16Å; L426-V435 HydrophobicContact CB-CG2 3.77Å; L426-V435 PolarHBondContact O-N 2.78Å; L426-V435 VanDerWaalsContact O-N 3.07Å; L426-F484 HydrophobicContact CD1-CD2 4.24Å; L426-F484 HydrophobicContact CD1-CE2 4.42Å |
| 427 | K | 86.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.8 | 173.3 | -171.2 | -178.6 | 178.8 | -172.4 | 0 | 109.9 | F404 Q405 N432 W434 | F404-K427 CarbonylContact C-O 3.44Å; F404-K427 VanDerWaalsContact CA-O 3.24Å; F404-K427 WeakPolarHBondContact CA-O 3.36Å; Q405-K427 HydrophobicContact CB-CB 4.4Å; Q405-K427 PolarHBondContact N-O 3.29Å; Q405-K427 PolarHBondContact O-N 3.03Å; K427-N432 WeakPolarHBondContact CE-OD1 3.48Å; K427-N432 PolarHBondContact NZ-OD1 3.37Å; K427-W434 HydrophobicContact CB-CD2 4.23Å; K427-W434 HydrophobicContact CB-CE3 3.77Å; K427-W434 HydrophobicContact CB-CH2 3.98Å; K427-W434 HydrophobicContact CB-CZ2 4.41Å; K427-W434 HydrophobicContact CB-CZ3 3.64Å; K427-W434 HydrophobicContact CD-CH2 4.05Å; K427-W434 HydrophobicContact CD-CZ2 3.92Å; K427-W434 HydrophobicContact CG-CD2 4.31Å; K427-W434 HydrophobicContact CG-CE3 4.34Å; K427-W434 HydrophobicContact CG-CH2 4.33Å; K427-W434 HydrophobicContact CG-CZ2 4.28Å; K427-W434 HydrophobicContact CG-CZ3 4.35Å |
| 428 | H | 87.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.2 | 172.8 | -172.6 | -128.4 | 0 | 0 | 0 | 110.4 | V358 Y360 S401 L403 F404 T431 N432 S433 | V358-H428 VanDerWaalsContact CB-CE1 3.46Å; V358-H428 WeakPolarHBondContact CB-CE1 3.4Å; V358-H428 HydrophobicContact CG2-CB 4.11Å; V358-H428 WeakPolarHBondContact CG2-ND1 3.29Å; Y360-H428 AromaticContact CE2-CE1 3.78Å; Y360-H428 AromaticContact CZ-CE1 3.69Å; Y360-H428 PolarHBondContact OH-CE1 3.44Å; Y360-H428 PolarHBondContact OH-ND1 2.85Å; S401-H428 PolarHBondContact O-NE2 3.01Å; L403-H428 PolarHBondContact O-CD2 3.48Å; F404-H428 HydrophobicContact CD1-CB 4.1Å; F404-H428 HydrophobicContact CE1-CB 3.83Å; F404-H428 AromaticContact CE1-CD2 3.71Å; F404-H428 AromaticContact CZ-CD2 3.68Å; H428-T431 PolarHBondContact ND1-OG1 2.76Å; H428-N432 VanDerWaalsContact O-CA 3.23Å; H428-N432 WeakPolarHBondContact O-CA 3.48Å; H428-N432 PolarHBondContact O-N 3.13Å; H428-S433 PolarHBondContact N-O 2.96Å; H428-S433 PolarHBondContact O-N 2.98Å |
| 429 | V | 84 | Confident | 80.2 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -44.2 | -168 | 173.8 | 0 | 0 | 0 | 0 | 112 | V344 L403 Q405 N432 | V344-V429 HydrophobicContact CG1-CG2 4.29Å; L403-V429 HydrophobicContact CB-CB 3.9Å; L403-V429 HydrophobicContact CB-CG2 3.97Å; L403-V429 WeakPolarHBondContact O-CB 2.98Å; L403-V429 WeakPolarHBondContact O-CG2 3.48Å; L403-V429 PolarHBondContact O-N 3.27Å; Q405-V429 HydrophobicContact CB-CG2 4.34Å; V429-N432 PolarHBondContact O-N 3.35Å |
| 430 | Q | 82.8 | Confident | 78.6 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -39.9 | -172.4 | 175.6 | -164.2 | -4 | 0 | 0 | 113.4 | Y360 A400 N432 | Y360-Q430 HydrophobicContact CE1-CG 4.21Å; Y360-Q430 HydrophobicContact CE2-CG 4.41Å; Y360-Q430 VanDerWaalsContact CE2-OE1 3.24Å; Y360-Q430 WeakPolarHBondContact OH-CB 3.38Å; Y360-Q430 WeakPolarHBondContact OH-CG 3.11Å; Y360-Q430 PolarHBondContact OH-OE1 2.97Å; A400-Q430 HydrophobicContact CB-CB 3.83Å; A400-Q430 HydrophobicContact CB-CG 3.97Å; A400-Q430 VanDerWaalsContact O-CB 3.26Å; A400-Q430 WeakPolarHBondContact O-CB 3.02Å; A400-Q430 PolarHBondContact O-OE1 3.44Å; Q430-N432 VanDerWaalsContact C-N 3.29Å |
| 431 | T | 79 | Confident | 77.3 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -13.1 | 171.8 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | V358 Y360 Y387 H428 S433 | V358-T431 HydrophobicContact CG1-CG2 4.29Å; Y360-T431 HydrophobicContact CD1-CG2 4.15Å; Y360-T431 HydrophobicContact CE1-CG2 3.22Å; Y360-T431 VanDerWaalsContact CZ-CG2 3.47Å; Y360-T431 VanDerWaalsContact OH-CG2 3.31Å; Y360-T431 WeakPolarHBondContact OH-CG2 3.46Å; Y360-T431 PolarHBondContact OH-N 2.84Å; Y387-T431 HydrophobicContact CD1-CG2 3.96Å; Y387-T431 HydrophobicContact CD2-CG2 3.69Å; Y387-T431 HydrophobicContact CE1-CG2 3.94Å; Y387-T431 HydrophobicContact CE2-CG2 3.66Å; Y387-T431 HydrophobicContact CG-CG2 3.84Å; H428-T431 PolarHBondContact ND1-OG1 2.76Å; T431-S433 VanDerWaalsContact CB-OG 3.3Å; T431-S433 WeakPolarHBondContact CB-OG 3.13Å; T431-S433 PolarHBondContact O-N 3.25Å; T431-S433 PolarHBondContact OG1-OG 3.46Å |
| 432 | N | 82.2 | Confident | 75.5 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 38.4 | -170.4 | -168.8 | 53 | 0 | 0 | 0 | 112.7 | K427 H428 V429 Q430 | K427-N432 WeakPolarHBondContact CE-OD1 3.48Å; K427-N432 PolarHBondContact NZ-OD1 3.37Å; H428-N432 VanDerWaalsContact O-CA 3.23Å; H428-N432 WeakPolarHBondContact O-CA 3.48Å; H428-N432 PolarHBondContact O-N 3.13Å; V429-N432 PolarHBondContact O-N 3.35Å; Q430-N432 VanDerWaalsContact C-N 3.29Å |
| 433 | S | 83.6 | Confident | 73.3 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155 | -173.3 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | H428 T431 C474 S475 | H428-S433 PolarHBondContact N-O 2.96Å; H428-S433 PolarHBondContact O-N 2.98Å; T431-S433 VanDerWaalsContact CB-OG 3.3Å; T431-S433 WeakPolarHBondContact CB-OG 3.13Å; T431-S433 PolarHBondContact O-N 3.25Å; T431-S433 PolarHBondContact OG1-OG 3.46Å; S433-C474 VanDerWaalsContact OG-CB 3.27Å; S433-C474 WeakPolarHBondContact OG-CB 3.24Å; S433-S475 CarbonylContact C-O 3.6Å; S433-S475 VanDerWaalsContact CA-O 3.29Å; S433-S475 WeakPolarHBondContact CA-O 3.07Å; S433-S475 WeakPolarHBondContact CB-O 3.21Å |
| 434 | W | 84 | Confident | 71.1 | Confident | 34 Ų | 34 | 49 Ų | 49 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.4 | -179.9 | -58.3 | 94.1 | 0 | 0 | 0 | 112 | D407 R425 L426 K427 H436 C474 S475 K478 | D407-W434 HydrophobicContact CB-CH2 3.51Å; D407-W434 HydrophobicContact CB-CZ3 3.5Å; D407-W434 VanDerWaalsContact CB-CZ3 3.5Å; R425-W434 HydrophobicContact CB-CE3 3.83Å; R425-W434 HydrophobicContact CB-CZ3 3.66Å; L426-W434 WeakPolarHBondContact O-CA 3Å; K427-W434 HydrophobicContact CB-CD2 4.23Å; K427-W434 HydrophobicContact CB-CE3 3.77Å; K427-W434 HydrophobicContact CB-CH2 3.98Å; K427-W434 HydrophobicContact CB-CZ2 4.41Å; K427-W434 HydrophobicContact CB-CZ3 3.64Å; K427-W434 HydrophobicContact CD-CH2 4.05Å; K427-W434 HydrophobicContact CD-CZ2 3.92Å; K427-W434 HydrophobicContact CG-CD2 4.31Å; K427-W434 HydrophobicContact CG-CE3 4.34Å; K427-W434 HydrophobicContact CG-CH2 4.33Å; K427-W434 HydrophobicContact CG-CZ2 4.28Å; K427-W434 HydrophobicContact CG-CZ3 4.35Å; W434-H436 PolarHBondContact O-ND1 3.48Å; W434-C474 CarbonylContact O-C 3.54Å; W434-C474 VanDerWaalsContact O-CA 3.23Å; W434-C474 WeakPolarHBondContact O-CA 3.06Å; W434-S475 PolarHBondContact N-O 2.73Å; W434-S475 PolarHBondContact O-N 3.19Å; W434-K478 HydrophobicContact CD2-CB 4.46Å; W434-K478 HydrophobicContact CG-CB 4.49Å; W434-K478 HydrophobicContact CH2-CD 4.28Å; W434-K478 HydrophobicContact CZ2-CD 3.96Å; W434-K478 HydrophobicContact CZ2-CG 4.46Å |
| 435 | V | 82.8 | Confident | 68.3 | Low | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.8 | 176.6 | -179 | 0 | 0 | 0 | 0 | 110.3 | L389 F404 L426 L472 F484 | L389-V435 HydrophobicContact CD1-CG2 4.4Å; L389-V435 HydrophobicContact CD2-CG1 4.15Å; F404-V435 HydrophobicContact CE1-CG2 4.18Å; L426-V435 HydrophobicContact CB-CB 4.16Å; L426-V435 HydrophobicContact CB-CG2 3.77Å; L426-V435 PolarHBondContact O-N 2.78Å; L426-V435 VanDerWaalsContact O-N 3.07Å; V435-L472 HydrophobicContact CG1-CB 4.46Å; V435-L472 HydrophobicContact CG1-CD2 3.95Å; V435-F484 HydrophobicContact CG1-CE2 4.3Å; V435-F484 HydrophobicContact CG1-CZ 4.45Å |
| 436 | H | 76.4 | Confident | 65.7 | Low | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.051 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149 | 176.6 | -66.9 | 72 | 0 | 0 | 0 | 111.4 | W434 L472 A473 S475 W477 E482 | W434-H436 PolarHBondContact O-ND1 3.48Å; H436-L472 WeakPolarHBondContact O-CA 3.49Å; H436-A473 WeakPolarHBondContact CA-O 3.14Å; H436-A473 PolarHBondContact N-O 3.36Å; H436-A473 PolarHBondContact O-N 3.13Å; H436-S475 PolarHBondContact CE1-OG 3.35Å; H436-S475 PolarHBondContact ND1-OG 3.17Å; H436-W477 AromaticContact CD2-NE1 3.84Å; H436-W477 AromaticContact CE1-CD1 3.64Å; H436-W477 AromaticContact CE1-NE1 3.92Å; H436-W477 PolarHBondContact CE1-O 3.39Å; H436-W477 AromaticContact NE2-CD1 3.24Å; H436-W477 AromaticContact NE2-NE1 3.44Å; H436-W477 PolarHBondContact NE2-NE1 3.23Å; H436-E482 VanDerWaalsContact CA-OE2 3.31Å; H436-E482 WeakPolarHBondContact CA-OE2 2.94Å |
| 437 | S | 69.9 | Low | 62.8 | Low | 13 Ų | 13 | 65.3 Ų | 65.3 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.2 | 169.9 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | Q289 E482 | Q289-S437 PolarHBondContact NE2-OG 3.01Å; S437-E482 WeakPolarHBondContact CB-OE2 3.31Å; S437-E482 PolarHBondContact N-OE2 3.05Å; S437-E482 PolarHBondContact OG-OE1 3.15Å; S437-E482 PolarHBondContact OG-OE2 3.06Å |
| 438 | T | 62.6 | Low | 59.9 | Low | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 145.4 | 172.6 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | T440 Q471 A473 | T438-T440 VanDerWaalsContact C-N 3.26Å; T438-T440 WeakPolarHBondContact CB-OG1 3.09Å; T438-T440 PolarHBondContact O-N 2.76Å; T438-T440 PolarHBondContact OG1-OG1 3.09Å; T438-Q471 PolarHBondContact N-O 2.74Å; T438-Q471 VanDerWaalsContact N-O 3.08Å; T438-Q471 PolarHBondContact OG1-O 2.77Å; T438-A473 HydrophobicContact CG2-CB 3.57Å |
| 439 | T | 53.1 | Low | 57 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -1.1 | 176.4 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | R441 | T439-R441 PolarHBondContact O-N 2.82Å |
| 440 | T | 49.2 | Very low | 54.1 | Low | 30 Ų | 30 | 81 Ų | 81 | 18% | 0.184 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 120.4 | 179 | 32.8 | 0 | 0 | 0 | 0 | 111.5 | T438 | T438-T440 VanDerWaalsContact C-N 3.26Å; T438-T440 WeakPolarHBondContact CB-OG1 3.09Å; T438-T440 PolarHBondContact O-N 2.76Å; T438-T440 PolarHBondContact OG1-OG1 3.09Å |
| 441 | R | 46.9 | Very low | 51.3 | Low | 159 Ų | 159 | 85 Ų | 85 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.3 | 169 | -67.9 | -179.3 | 179.3 | 175.1 | 3 | 108.8 | T439 D443 | T439-R441 PolarHBondContact O-N 2.82Å; R441-D443 VanDerWaalsContact C-N 3.26Å; R441-D443 PolarHBondContact O-N 2.82Å |
| 442 | L | 39.7 | Very low | 48.5 | Very low | 76 Ų | 76 | 92 Ų | 92 | 40% | 0.398 | 51% | 0.509 | S | S | . | . | trans | -69.9 | 86.8 | 164.7 | -86.1 | 140.4 | 0 | 0 | 0 | 108.1 | H469 | L442-H469 HydrophobicContact CD1-CB 3.93Š| ||
| 443 | D | 40.7 | Very low | 45.7 | Very low | 130 Ų | 130 | 94.2 Ų | 94.2 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 136.2 | 168.8 | -78.8 | -28.4 | 0 | 0 | 0 | 109.9 | R441 E445 | R441-D443 VanDerWaalsContact C-N 3.26Å; R441-D443 PolarHBondContact O-N 2.82Å; D443-E445 PolarHBondContact O-N 3.42Å |
| 444 | P | 39.4 | Very low | 42.7 | Very low | 122 Ų | 122 | 102.3 Ų | 102.3 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117.8 | 170.7 | 27.7 | -28.7 | 0 | 0 | 0 | 109.3 | A446 | P444-A446 PolarHBondContact O-N 3.08Š|
| 445 | E | 30.3 | Very low | 39.7 | Very low | 195 Ų | 195 | 107.8 Ų | 107.8 | 91% | 0.911 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118 | 170.1 | -65.1 | 176.3 | 153.2 | 0 | 0 | 111.2 | D443 | D443-E445 PolarHBondContact O-N 3.42Š|
| 446 | A | 32.2 | Very low | 36.9 | Very low | 97 Ų | 97 | 112.7 Ų | 112.7 | 80% | 0.802 | 62% | 0.622 | S | S | * | * | trans | 162.9 | 115.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P444 | P444-A446 PolarHBondContact O-N 3.08Š| ||
| 447 | G | 26.4 | Very low | 34.3 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | 70.8 | 98.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 448 | E | 25.4 | Very low | 32.1 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -46.2 | 143.6 | 142.6 | -65.8 | 174.4 | 153.4 | 0 | 0 | 109.5 | ||
| 449 | D | 26.1 | Very low | 30.2 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | 101.8 | 124 | 177.9 | -54.3 | -26.5 | 0 | 0 | 0 | 116.6 | ||||
| 450 | S | 22.4 | Very low | 29 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | trans | 91.1 | 59.5 | 174.6 | -152.3 | 0 | 0 | 0 | 0 | 117.2 | M452 | S450-M452 PolarHBondContact O-N 2.98Š| ||
| 451 | I | 25 | Very low | 28 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 73.7 | 151.5 | -54.4 | 170.8 | 0 | 0 | 0 | 108.2 | ||||
| 452 | M | 21.2 | Very low | 27.1 | Very low | 171 Ų | 171 | 138 Ų | 138 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | 176.8 | 88.6 | 166.6 | -101.7 | -96.9 | -174.7 | 0 | 0 | 106.8 | S450 | S450-M452 PolarHBondContact O-N 2.98Š| ||
| 453 | L | 21.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 94.8 | 156.5 | -101.2 | 162 | 0 | 0 | 0 | 109.3 | ||||
| 454 | K | 20.7 | Very low | 26.1 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 54.2 | 95.6 | 117.9 | -137.8 | 174.2 | -170.3 | 175.3 | 0 | 115.6 | V456 | K454-V456 HydrophobicContact CD-CG2 4.43Å; K454-V456 HydrophobicContact CG-CG2 4.14Å; K454-V456 PolarHBondContact O-N 3.34Å | |||
| 455 | V | 21.5 | Very low | 25.8 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -38 | 99.2 | 147 | 178.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 456 | V | 23.5 | Very low | 25.8 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 65% | 0.648 | 80% | 0.797 | S | S | * | * | trans | -134.4 | 96.5 | 161.9 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | K454 S458 | K454-V456 HydrophobicContact CD-CG2 4.43Å; K454-V456 HydrophobicContact CG-CG2 4.14Å; K454-V456 PolarHBondContact O-N 3.34Å; V456-S458 PolarHBondContact O-N 2.64Å | ||
| 457 | S | 22.6 | Very low | 26.1 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 35.1 | 79.1 | 138.2 | -48.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 458 | S | 22.8 | Very low | 26.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -165.6 | 118.8 | 134.8 | 55 | 0 | 0 | 0 | 0 | 110 | V456 F460 | V456-S458 PolarHBondContact O-N 2.64Å; S458-F460 PolarHBondContact O-N 2.82Å | ||
| 459 | S | 23.5 | Very low | 27.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -55.8 | 101.3 | -177.1 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 460 | F | 29 | Very low | 29.2 | Very low | 206 Ų | 206 | 126 Ų | 126 | 90% | 0.904 | 70% | 0.698 | S | S | * | * | trans | -166.7 | 50.5 | 154.4 | -105.4 | -74.9 | 0 | 0 | 0 | 110 | S458 F462 | S458-F460 PolarHBondContact O-N 2.82Å; F460-F462 PolarHBondContact O-N 3.5Å | ||
| 461 | A | 26.6 | Very low | 31 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 68% | 0.678 | S | S | * | * | trans | -86.5 | 91 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | S463 | A461-S463 PolarHBondContact O-N 3.14Š| ||
| 462 | F | 27.8 | Very low | 33.1 | Very low | 191 Ų | 191 | 115.6 Ų | 115.6 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | -64.2 | 123.7 | 162.9 | -131.9 | -92.7 | 0 | 0 | 0 | 107.6 | F460 | F460-F462 PolarHBondContact O-N 3.5Š| ||
| 463 | S | 28.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | trans | -55.1 | 139.1 | 177.3 | 54 | 0 | 0 | 0 | 0 | 111.3 | A461 F465 | A461-S463 PolarHBondContact O-N 3.14Å; S463-F465 PolarHBondContact O-N 3.26Å | ||
| 464 | S | 30.7 | Very low | 37.8 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -64.7 | 43.5 | -168.9 | 47.4 | 0 | 0 | 0 | 0 | 116.4 | T466 | S464-T466 PolarHBondContact O-N 3.1Å; S464-T466 VanDerWaalsContact O-N 3.13Å | ||
| 465 | F | 33 | Very low | 40.4 | Very low | 173 Ų | 173 | 92.7 Ų | 92.7 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | trans | -80.5 | 96.2 | 172.7 | -114.4 | -92.1 | 0 | 0 | 0 | 110.5 | S463 R467 | S463-F465 PolarHBondContact O-N 3.26Å; F465-R467 PolarHBondContact O-N 3.45Å | ||
| 466 | T | 31.4 | Very low | 42.9 | Very low | 128 Ų | 128 | 88.6 Ų | 88.6 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | trans | -55.6 | 85.9 | 168.4 | -27 | 0 | 0 | 0 | 0 | 109.1 | S464 M468 | S464-T466 PolarHBondContact O-N 3.1Å; S464-T466 VanDerWaalsContact O-N 3.13Å; T466-M468 PolarHBondContact O-N 3.35Å | ||
| 467 | R | 37.6 | Very low | 45 | Very low | 138 Ų | 138 | 87.4 Ų | 87.4 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | trans | -69.9 | 107 | 173.6 | -72.5 | -177 | -179.6 | 178.3 | 5.4 | 106.5 | D296 F465 H469 | D296-R467 IonicContact OD2-NH1 2.85Å; F465-R467 PolarHBondContact O-N 3.45Å; R467-H469 WeakPolarHBondContact CB-CE1 3.22Å; R467-H469 WeakPolarHBondContact CB-ND1 3.37Å; R467-H469 PolarHBondContact O-N 3.22Å; R467-H469 PolarHBondContact O-ND1 3.5Å | ||
| 468 | M | 42.5 | Very low | 47.3 | Very low | 91 Ų | 91 | 86.7 Ų | 86.7 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | trans | -65.9 | 103.1 | 173.3 | -68.3 | -119.8 | -155.2 | 0 | 0 | 109.1 | V308 T466 F470 | V308-M468 HydrophobicContact CG2-CB 4.2Å; T466-M468 PolarHBondContact O-N 3.35Å; M468-F470 HydrophobicContact CB-CE2 4.16Å; M468-F470 HydrophobicContact SD-CZ 4.39Å | ||
| 469 | H | 47 | Very low | 49.7 | Very low | 18 Ų | 18 | 85.2 Ų | 85.2 | 8% | 0.083 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.8 | 175 | -62.2 | 93.3 | 0 | 0 | 0 | 108 | F305 L442 R467 | F305-H469 HydrophobicContact CB-CB 4.31Å; F305-H469 AromaticContact CD1-CD2 3.66Å; F305-H469 HydrophobicContact CD2-CB 4.38Å; F305-H469 AromaticContact CD2-CD2 3.37Å; F305-H469 WeakPolarHBondContact CD2-CD2 3.25Å; F305-H469 AromaticContact CE1-CD2 3.52Å; F305-H469 AromaticContact CE1-NE2 3.96Å; F305-H469 AromaticContact CE2-CD2 3.21Å; F305-H469 WeakPolarHBondContact CE2-CD2 3.29Å; F305-H469 AromaticContact CE2-NE2 3.77Å; F305-H469 HydrophobicContact CG-CB 4.23Å; F305-H469 AromaticContact CG-CD2 3.59Å; F305-H469 AromaticContact CZ-CD2 3.29Å; F305-H469 WeakPolarHBondContact CZ-CD2 3.31Å; F305-H469 AromaticContact CZ-NE2 3.54Å; L442-H469 HydrophobicContact CD1-CB 3.93Å; R467-H469 WeakPolarHBondContact CB-CE1 3.22Å; R467-H469 WeakPolarHBondContact CB-ND1 3.37Å; R467-H469 PolarHBondContact O-N 3.22Å; R467-H469 PolarHBondContact O-ND1 3.5Å |
| 470 | F | 53.6 | Low | 51.9 | Low | 28 Ų | 28 | 85.4 Ų | 85.4 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.2 | 175.2 | -64.6 | -88.2 | 0 | 0 | 0 | 108.9 | K291 F305 L306 V308 M468 | K291-F470 HydrophobicContact CD-CD2 4.21Å; K291-F470 VanDerWaalsContact NZ-CD2 3.3Å; F305-F470 VanDerWaalsContact CA-O 3.29Å; F305-F470 WeakPolarHBondContact CA-O 3.37Å; F305-F470 VanDerWaalsContact CB-O 3.27Å; F305-F470 WeakPolarHBondContact CB-O 3.21Å; L306-F470 HydrophobicContact CB-CB 4.37Å; L306-F470 PolarHBondContact N-O 3.47Å; L306-F470 VanDerWaalsContact N-O 3.13Å; V308-F470 HydrophobicContact CG2-CD2 4.23Å; V308-F470 HydrophobicContact CG2-CE2 3.71Å; M468-F470 HydrophobicContact CB-CE2 4.16Å; M468-F470 HydrophobicContact SD-CZ 4.39Å |
| 471 | Q | 60.8 | Low | 54 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 150.6 | 177.1 | -157.2 | 166.4 | -12.1 | 0 | 0 | 109.8 | S388 T438 | S388-Q471 PolarHBondContact OG-NE2 2.92Å; S388-Q471 VanDerWaalsContact OG-NE2 3.14Å; T438-Q471 PolarHBondContact N-O 2.74Å; T438-Q471 VanDerWaalsContact N-O 3.08Å; T438-Q471 PolarHBondContact OG1-O 2.77Å |
| 472 | L | 68.3 | Low | 56.5 | Low | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.9 | 175.5 | -68.3 | 129.4 | 0 | 0 | 0 | 109.6 | L293 V304 L306 L389 V435 H436 F484 | L293-L472 HydrophobicContact CD1-CD1 3.17Å; V304-L472 HydrophobicContact CG1-CD1 4.37Å; L306-L472 HydrophobicContact CD1-CD2 4.07Å; L306-L472 HydrophobicContact CD2-CD1 4.49Å; L306-L472 HydrophobicContact CD2-CD2 4.45Å; L306-L472 HydrophobicContact CG-CD1 4.11Å; L306-L472 HydrophobicContact CG-CD2 4.06Å; L306-L472 HydrophobicContact CG-CG 4.24Å; L389-L472 HydrophobicContact CB-CB 4.04Å; L389-L472 HydrophobicContact CD2-CB 3.91Å; L389-L472 HydrophobicContact CD2-CD1 4.08Å; L389-L472 PolarHBondContact N-O 3.16Å; L389-L472 VanDerWaalsContact N-O 3.16Å; V435-L472 HydrophobicContact CG1-CB 4.46Å; V435-L472 HydrophobicContact CG1-CD2 3.95Å; H436-L472 WeakPolarHBondContact O-CA 3.49Å; L472-F484 HydrophobicContact CD2-CZ 4.1Å |
| 473 | A | 69.2 | Low | 59.2 | Low | 5 Ų | 5 | 69.2 Ų | 69.2 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L386 Y387 H436 T438 | L386-A473 HydrophobicContact CD1-CB 4.37Å; L386-A473 HydrophobicContact CD2-CB 3.82Å; L386-A473 HydrophobicContact CG-CB 3.91Å; Y387-A473 CarbonylContact O-C 3.5Å; Y387-A473 WeakPolarHBondContact O-CA 3.25Å; H436-A473 WeakPolarHBondContact CA-O 3.14Å; H436-A473 PolarHBondContact N-O 3.36Å; H436-A473 PolarHBondContact O-N 3.13Å; T438-A473 HydrophobicContact CG2-CB 3.57Å |
| 474 | C | 73.4 | Confident | 62 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.1 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | Y387 S433 W434 | Y387-C474 PolarHBondContact N-O 3.3Å; Y387-C474 VanDerWaalsContact N-O 3.1Å; Y387-C474 PolarHBondContact O-N 2.96Å; S433-C474 VanDerWaalsContact OG-CB 3.27Å; S433-C474 WeakPolarHBondContact OG-CB 3.24Å; W434-C474 CarbonylContact O-C 3.54Å; W434-C474 VanDerWaalsContact O-CA 3.23Å; W434-C474 WeakPolarHBondContact O-CA 3.06Å |
| 475 | S | 74.4 | Confident | 64.6 | Low | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 165.7 | 179.4 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | S433 W434 H436 W477 | S433-S475 CarbonylContact C-O 3.6Å; S433-S475 VanDerWaalsContact CA-O 3.29Å; S433-S475 WeakPolarHBondContact CA-O 3.07Å; S433-S475 WeakPolarHBondContact CB-O 3.21Å; W434-S475 PolarHBondContact N-O 2.73Å; W434-S475 PolarHBondContact O-N 3.19Å; H436-S475 PolarHBondContact CE1-OG 3.35Å; H436-S475 PolarHBondContact ND1-OG 3.17Å; S475-W477 PolarHBondContact OG-NE1 3.21Å |
| 476 | S | 73.8 | Confident | 67.1 | Low | 63 Ų | 63 | 51.5 Ų | 51.5 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -75.2 | -29.1 | -175.9 | 45.1 | 0 | 0 | 0 | 0 | 114.5 | E384 | E384-S476 PolarHBondContact OE1-OG 3.14Å; E384-S476 VanDerWaalsContact OE1-OG 3.05Å |
| 477 | W | 68.1 | Low | 69.7 | Low | 83 Ų | 83 | 47.3 Ų | 47.3 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -80.6 | 156.9 | -176.7 | 54.4 | 61 | 0 | 0 | 0 | 112.5 | F373 I377 E384 H436 S475 | F373-W477 HydrophobicContact CZ-CZ2 4.42Å; I377-W477 HydrophobicContact CG1-CH2 4.03Å; E384-W477 WeakPolarHBondContact OE2-CZ3 3.44Å; H436-W477 AromaticContact CD2-NE1 3.84Å; H436-W477 AromaticContact CE1-CD1 3.64Å; H436-W477 AromaticContact CE1-NE1 3.92Å; H436-W477 PolarHBondContact CE1-O 3.39Å; H436-W477 AromaticContact NE2-CD1 3.24Å; H436-W477 AromaticContact NE2-NE1 3.44Å; H436-W477 PolarHBondContact NE2-NE1 3.23Å; S475-W477 PolarHBondContact OG-NE1 3.21Å |
| 478 | K | 71.9 | Confident | 71.5 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | trans | -110.4 | 119.9 | 178.4 | 174.1 | 176.7 | 165.3 | 168.7 | 0 | 108.3 | D407 W434 | D407-K478 IonicContact OD1-NZ 2.75Å; D407-K478 WeakPolarHBondContact OD2-CE 3.35Å; D407-K478 IonicContact OD2-NZ 3.16Å; D407-K478 PolarHBondContact OD2-NZ 3.04Å; W434-K478 HydrophobicContact CD2-CB 4.46Å; W434-K478 HydrophobicContact CG-CB 4.49Å; W434-K478 HydrophobicContact CH2-CD 4.28Å; W434-K478 HydrophobicContact CZ2-CD 3.96Å; W434-K478 HydrophobicContact CZ2-CG 4.46Å | ||
| 479 | E | 71.6 | Confident | 73 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 39% | 0.388 | 20% | 0.202 | S | C | . | . | trans | -111.9 | 133.1 | 176.3 | -165.6 | 167.5 | -170.5 | 0 | 0 | 110.4 | K481 E482 | E479-K481 VanDerWaalsContact C-N 3.27Å; E479-K481 PolarHBondContact O-N 2.69Å; E479-E482 HydrophobicContact CB-CG 4.23Å; E479-E482 PolarHBondContact O-N 2.88Å | ||
| 480 | D | 70.1 | Confident | 74.2 | Confident | 117 Ų | 117 | 42.2 Ų | 42.2 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.5 | -174.6 | -75.7 | -30.8 | 0 | 0 | 0 | 113 | R425 E482 | R425-D480 IonicContact CZ-OD1 3.3Å; R425-D480 VanDerWaalsContact CZ-OD1 3.27Å; R425-D480 IonicContact NE-OD1 3.72Å; R425-D480 IonicContact NH1-OD1 2.82Å; R425-D480 IonicContact NH2-OD1 3.01Å; R425-D480 PolarHBondContact NH2-OD1 3.43Å; D480-E482 VanDerWaalsContact C-N 3.35Å |
| 481 | K | 74.2 | Confident | 74.8 | Confident | 129 Ų | 129 | 43.9 Ų | 43.9 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.4 | -179.1 | -62.4 | -172.9 | 177.3 | -168.1 | 0 | 114.3 | E479 A483 | E479-K481 VanDerWaalsContact C-N 3.27Å; E479-K481 PolarHBondContact O-N 2.69Å; K481-A483 PolarHBondContact O-N 3.37Å; K481-A483 VanDerWaalsContact O-N 3.07Å |
| 482 | E | 78.9 | Confident | 75.3 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | trans | -88.8 | 55.3 | -178.1 | -67.3 | -75.8 | 147.3 | 0 | 0 | 110.9 | H286 H436 S437 E479 D480 | H286-E482 IonicContact NE2-OE1 2.9Å; H286-E482 IonicContact NE2-OE2 3.35Å; H286-E482 PolarHBondContact NE2-OE2 3.11Å; H286-E482 VanDerWaalsContact NE2-OE2 3.17Å; H436-E482 VanDerWaalsContact CA-OE2 3.31Å; H436-E482 WeakPolarHBondContact CA-OE2 2.94Å; S437-E482 WeakPolarHBondContact CB-OE2 3.31Å; S437-E482 PolarHBondContact N-OE2 3.05Å; S437-E482 PolarHBondContact OG-OE1 3.15Å; S437-E482 PolarHBondContact OG-OE2 3.06Å; E479-E482 HydrophobicContact CB-CG 4.23Å; E479-E482 PolarHBondContact O-N 2.88Å; D480-E482 VanDerWaalsContact C-N 3.35Å | ||
| 483 | A | 82.9 | Confident | 75.6 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | trans | -104.8 | 137.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A287 T409 K481 | A287-A483 PolarHBondContact N-O 3.18Å; A287-A483 VanDerWaalsContact N-O 3.07Å; T409-A483 HydrophobicContact CG2-CB 4.01Å; K481-A483 PolarHBondContact O-N 3.37Å; K481-A483 VanDerWaalsContact O-N 3.07Å | ||
| 484 | F | 88.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.9 | 174 | -69.2 | -92 | 0 | 0 | 0 | 110.5 | L284 F285 H286 L306 Y423 I424 L426 V435 L472 | L284-F484 HydrophobicContact CB-CD1 4.02Å; F285-F484 CarbonylContact O-C 3.59Å; F285-F484 VanDerWaalsContact O-CA 3.32Å; F285-F484 WeakPolarHBondContact O-CA 3.2Å; H286-F484 HydrophobicContact CB-CD1 4.33Å; H286-F484 HydrophobicContact CB-CE1 4.13Å; H286-F484 AromaticContact CD2-CZ 3.91Å; L306-F484 HydrophobicContact CD2-CE1 4.12Å; Y423-F484 WeakPolarHBondContact CA-O 3.44Å; I424-F484 HydrophobicContact CG1-CB 4.22Å; I424-F484 VanDerWaalsContact CG1-O 3.31Å; I424-F484 WeakPolarHBondContact CG1-O 3.48Å; I424-F484 PolarHBondContact N-O 2.84Å; I424-F484 PolarHBondContact O-N 3.47Å; L426-F484 HydrophobicContact CD1-CD2 4.24Å; L426-F484 HydrophobicContact CD1-CE2 4.42Å; V435-F484 HydrophobicContact CG1-CE2 4.3Å; V435-F484 HydrophobicContact CG1-CZ 4.45Å; L472-F484 HydrophobicContact CD2-CZ 4.1Å |
| 485 | A | 86.1 | Confident | 75.6 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F285 Y423 L487 | F285-A485 HydrophobicContact CB-CB 4.34Å; F285-A485 HydrophobicContact CD1-CB 4.27Å; F285-A485 PolarHBondContact N-O 2.94Å; F285-A485 PolarHBondContact O-N 2.89Å; Y423-A485 HydrophobicContact CD1-CB 3.84Å; Y423-A485 HydrophobicContact CE1-CB 3.58Å; A485-L487 PolarHBondContact O-N 2.94Å |
| 486 | I | 85.4 | Confident | 75.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 114.2 | 168.4 | -58.9 | 175.6 | 0 | 0 | 0 | 107.7 | L276 V282 L284 R420 S422 I424 | L276-I486 HydrophobicContact CD1-CG2 4.35Å; L276-I486 HydrophobicContact CD2-CD1 4Å; V282-I486 HydrophobicContact CB-CG2 3.85Å; V282-I486 HydrophobicContact CG1-CG2 3.65Å; V282-I486 HydrophobicContact CG2-CG2 4.37Å; L284-I486 HydrophobicContact CD2-CG1 4.33Å; R420-I486 WeakPolarHBondContact O-CG2 3.22Å; S422-I486 PolarHBondContact O-N 3.46Å; I424-I486 HydrophobicContact CD1-CD1 3.72Å; I424-I486 HydrophobicContact CD1-CG1 3.69Å; I424-I486 HydrophobicContact CG1-CD1 4.04Å; I424-I486 HydrophobicContact CG1-CG1 3.82Å; I424-I486 HydrophobicContact CG2-CD1 3.69Å; I424-I486 HydrophobicContact CG2-CG1 4.23Å |
| 487 | L | 84.7 | Confident | 75.9 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.5 | 176.1 | -62.6 | 173.5 | 0 | 0 | 0 | 109.9 | V282 R283 F285 F292 L315 A485 | V282-L487 CarbonylContact C-O 3.52Å; V282-L487 WeakPolarHBondContact CA-O 3.49Å; R283-L487 HydrophobicContact CB-CB 4.2Å; R283-L487 PolarHBondContact N-O 3.01Å; R283-L487 PolarHBondContact O-N 3.36Å; F285-L487 HydrophobicContact CB-CD1 3.59Å; F285-L487 HydrophobicContact CB-CG 4.27Å; F285-L487 HydrophobicContact CG-CD1 4.14Å; F292-L487 HydrophobicContact CE1-CD1 3.78Å; F292-L487 HydrophobicContact CZ-CD1 4.21Å; L315-L487 HydrophobicContact CD2-CD1 3.49Å; L315-L487 VanDerWaalsContact CD2-CD1 3.49Å; L315-L487 HydrophobicContact CD2-CD2 4.25Å; A485-L487 PolarHBondContact O-N 2.94Å |
| 488 | T | 75.5 | Confident | 76 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 37% | 0.368 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 144.5 | 179.6 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | R420 | R420-T488 HydrophobicContact CB-CG2 3.58Å; R420-T488 HydrophobicContact CG-CG2 3.8Å |
| 489 | V | 75.2 | Confident | 76.2 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | trans | -110.2 | 134.4 | 175.9 | -177 | 0 | 0 | 0 | 0 | 107.6 | V281 R283 L323 E493 V494 | V281-V489 HydrophobicContact CB-CB 4.37Å; V281-V489 HydrophobicContact CG1-CB 4.21Å; V281-V489 HydrophobicContact CG1-CG1 4.44Å; V281-V489 HydrophobicContact CG1-CG2 4.18Å; V281-V489 WeakPolarHBondContact O-CB 3.38Å; V281-V489 WeakPolarHBondContact O-CG2 3.4Å; V281-V489 PolarHBondContact O-N 2.95Å; R283-V489 HydrophobicContact CG-CG2 3.96Å; L323-V489 HydrophobicContact CD2-CB 4.25Å; L323-V489 HydrophobicContact CD2-CG1 3.79Å; L323-V489 HydrophobicContact CD2-CG2 3.51Å; V489-E493 HydrophobicContact CG1-CB 4.08Å; V489-E493 HydrophobicContact CG1-CG 4.2Å; V489-E493 WeakPolarHBondContact CG1-OE2 3.25Å; V489-V494 HydrophobicContact CG1-CG2 3.83Å | ||
| 490 | S | 72.7 | Confident | 76.6 | Confident | 61 Ų | 61 | 38.5 Ų | 38.5 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | trans | -65.6 | 142.5 | 178.4 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | T492 E493 V494 | S490-T492 WeakPolarHBondContact CB-OG1 3.38Å; S490-T492 PolarHBondContact O-N 2.92Å; S490-T492 VanDerWaalsContact O-N 3.15Å; S490-T492 PolarHBondContact OG-OG1 2.81Å; S490-E493 PolarHBondContact O-N 3.25Å; S490-E493 WeakPolarHBondContact OG-CB 3.41Å; S490-E493 PolarHBondContact OG-N 3.39Å; S490-E493 VanDerWaalsContact OG-N 3.17Å; S490-V494 PolarHBondContact O-N 2.71Å | ||
| 491 | A | 66.1 | Low | 76.8 | Confident | 63 Ų | 63 | 33.9 Ų | 33.9 | 52% | 0.521 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -25.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R495 | A491-R495 WeakPolarHBondContact O-CG 2.92Å; A491-R495 PolarHBondContact O-N 2.84Å; A491-R495 VanDerWaalsContact O-N 3.12Å |
| 492 | T | 70.1 | Confident | 76.7 | Confident | 69 Ų | 69 | 28.8 Ų | 28.8 | 42% | 0.423 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 172.8 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | S490 V494 R495 D496 | S490-T492 WeakPolarHBondContact CB-OG1 3.38Å; S490-T492 PolarHBondContact O-N 2.92Å; S490-T492 VanDerWaalsContact O-N 3.15Å; S490-T492 PolarHBondContact OG-OG1 2.81Å; T492-V494 VanDerWaalsContact C-N 3.33Å; T492-V494 PolarHBondContact O-N 3.3Å; T492-R495 VanDerWaalsContact CG2-NH2 3.29Å; T492-R495 PolarHBondContact O-N 3.39Å; T492-D496 WeakPolarHBondContact O-CB 3.34Å; T492-D496 VanDerWaalsContact O-CG 3.22Å; T492-D496 PolarHBondContact O-N 2.85Å |
| 493 | E | 75.2 | Confident | 76.9 | Confident | 36 Ų | 36 | 27.6 Ų | 27.6 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | -179.8 | -178.6 | 172.7 | -162.1 | 0 | 0 | 111.7 | R283 V489 S490 D496 L497 | R283-E493 IonicContact CZ-OE1 3.92Å; R283-E493 IonicContact CZ-OE2 3.26Å; R283-E493 IonicContact NH1-OE1 3.38Å; R283-E493 IonicContact NH1-OE2 2.62Å; R283-E493 PolarHBondContact NH1-OE2 3.04Å; R283-E493 IonicContact NH2-OE1 3.25Å; R283-E493 PolarHBondContact NH2-OE1 2.75Å; R283-E493 IonicContact NH2-OE2 2.83Å; R283-E493 PolarHBondContact NH2-OE2 3.21Å; R283-E493 VanDerWaalsContact NH2-OE2 3.12Å; V489-E493 HydrophobicContact CG1-CB 4.08Å; V489-E493 HydrophobicContact CG1-CG 4.2Å; V489-E493 WeakPolarHBondContact CG1-OE2 3.25Å; S490-E493 PolarHBondContact O-N 3.25Å; S490-E493 WeakPolarHBondContact OG-CB 3.41Å; S490-E493 PolarHBondContact OG-N 3.39Å; S490-E493 VanDerWaalsContact OG-N 3.17Å; E493-D496 PolarHBondContact O-N 2.75Å; E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 3.1Å |
| 494 | V | 71.2 | Confident | 76.8 | Confident | 24 Ų | 24 | 28 Ų | 28 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | V281 L350 V489 S490 T492 L497 D498 | V281-V494 HydrophobicContact CB-CG2 3.8Å; V281-V494 HydrophobicContact CG1-CG2 3.99Å; V281-V494 HydrophobicContact CG2-CG1 4.2Å; V281-V494 HydrophobicContact CG2-CG2 3.84Å; L350-V494 HydrophobicContact CD2-CG1 4.17Å; V489-V494 HydrophobicContact CG1-CG2 3.83Å; S490-V494 PolarHBondContact O-N 2.71Å; T492-V494 VanDerWaalsContact C-N 3.33Å; T492-V494 PolarHBondContact O-N 3.3Å; V494-L497 WeakPolarHBondContact O-CB 3.44Å; V494-L497 PolarHBondContact O-N 2.97Å; V494-D498 PolarHBondContact O-N 3.28Å |
| 495 | R | 71.9 | Confident | 76.2 | Confident | 69 Ų | 69 | 30.8 Ų | 30.8 | 26% | 0.26 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.7 | -74.8 | -172 | -59.5 | -101.1 | 5.8 | 112.4 | K162 A491 T492 L497 D498 F499 | K162-R495 WeakPolarHBondContact O-CD 3.36Å; A491-R495 WeakPolarHBondContact O-CG 2.92Å; A491-R495 PolarHBondContact O-N 2.84Å; A491-R495 VanDerWaalsContact O-N 3.12Å; T492-R495 VanDerWaalsContact CG2-NH2 3.29Å; T492-R495 PolarHBondContact O-N 3.39Å; R495-L497 VanDerWaalsContact C-N 3.28Å; R495-L497 PolarHBondContact O-N 3.19Å; R495-D498 PolarHBondContact O-N 2.85Å; R495-F499 WeakPolarHBondContact O-CB 3.33Å; R495-F499 PolarHBondContact O-N 2.9Å |
| 496 | D | 77.4 | Confident | 75.8 | Confident | 28 Ų | 28 | 32.1 Ų | 32.1 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 177.7 | -75.7 | -1.7 | 0 | 0 | 0 | 111.2 | T492 E493 A500 F538 R561 L564 | T492-D496 WeakPolarHBondContact O-CB 3.34Å; T492-D496 VanDerWaalsContact O-CG 3.22Å; T492-D496 PolarHBondContact O-N 2.85Å; E493-D496 PolarHBondContact O-N 2.75Å; D496-A500 WeakPolarHBondContact O-CB 3.27Å; D496-A500 PolarHBondContact O-N 3.03Å; D496-A500 VanDerWaalsContact O-N 3.1Å; D496-F538 HydrophobicContact CB-CE2 3.6Å; D496-F538 HydrophobicContact CB-CZ 3.8Å; D496-R561 IonicContact OD1-CZ 2.87Å; D496-R561 IonicContact OD1-NE 3.94Å; D496-R561 IonicContact OD1-NH2 3.43Å; D496-R561 PolarHBondContact OD1-NH2 3.45Å; D496-R561 WeakPolarHBondContact OD2-CG 3.43Å; D496-R561 IonicContact OD2-CZ 2.95Å; D496-R561 IonicContact OD2-NE 3.46Å; D496-R561 PolarHBondContact OD2-NE 2.77Å; D496-R561 IonicContact OD2-NH2 3.51Å; D496-L564 HydrophobicContact CB-CD1 3.68Å |
| 497 | L | 76.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 173.9 | 177 | 70.9 | 0 | 0 | 0 | 112.1 | L323 L350 E493 V494 R495 F499 A500 N501 L564 Q568 | L323-L497 HydrophobicContact CD1-CD2 3.62Å; L350-L497 HydrophobicContact CD2-CD2 3.58Å; L350-L497 HydrophobicContact CG-CD2 4.03Å; E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 3.1Å; V494-L497 WeakPolarHBondContact O-CB 3.44Å; V494-L497 PolarHBondContact O-N 2.97Å; R495-L497 VanDerWaalsContact C-N 3.28Å; R495-L497 PolarHBondContact O-N 3.19Å; L497-F499 VanDerWaalsContact C-N 3.34Å; L497-A500 PolarHBondContact O-N 2.92Å; L497-N501 PolarHBondContact O-N 3.27Å; L497-L564 HydrophobicContact CB-CD2 4.3Å; L497-L564 HydrophobicContact CD1-CD2 3.69Å; L497-Q568 HydrophobicContact CD1-CG 3.61Å; L497-Q568 VanDerWaalsContact CD1-NE2 3.33Å |
| 498 | D | 70.6 | Confident | 75.6 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 179.9 | -78.6 | -13.2 | 0 | 0 | 0 | 111.2 | L47 V494 R495 A500 N501 D502 | L47-D498 HydrophobicContact CD1-CB 3.4Å; L47-D498 VanDerWaalsContact CD1-CB 3.4Å; V494-D498 PolarHBondContact O-N 3.28Å; R495-D498 PolarHBondContact O-N 2.85Å; D498-A500 PolarHBondContact O-N 3.39Å; D498-N501 PolarHBondContact O-N 2.91Å; D498-D502 PolarHBondContact O-N 2.77Å |
| 499 | F | 77.1 | Confident | 75.8 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.8 | 174.8 | -104.3 | 0 | 0 | 0 | 111.6 | V48 R495 L497 N501 D502 A503 L531 E534 L535 F538 | V48-F499 HydrophobicContact CG2-CD2 4.18Å; V48-F499 HydrophobicContact CG2-CE2 4.17Å; R495-F499 WeakPolarHBondContact O-CB 3.33Å; R495-F499 PolarHBondContact O-N 2.9Å; L497-F499 VanDerWaalsContact C-N 3.34Å; F499-N501 VanDerWaalsContact C-N 3.31Å; F499-N501 PolarHBondContact O-N 2.81Å; F499-D502 PolarHBondContact O-N 2.79Å; F499-A503 VanDerWaalsContact O-CB 3.25Å; F499-A503 WeakPolarHBondContact O-CB 3.46Å; F499-A503 PolarHBondContact O-N 2.67Å; F499-L531 HydrophobicContact CE2-CD1 4.46Å; F499-E534 HydrophobicContact CE2-CB 4.29Å; F499-E534 HydrophobicContact CZ-CB 3.87Å; F499-L535 HydrophobicContact CE1-CD2 3.75Å; F499-L535 HydrophobicContact CE1-CG 4.35Å; F499-L535 HydrophobicContact CZ-CD2 4.25Å; F499-L535 HydrophobicContact CZ-CG 4.38Å; F499-F538 HydrophobicContact CD1-CB 4.4Å; F499-F538 HydrophobicContact CD1-CD1 4.41Å; F499-F538 AromaticContact CD1-CD2 3.64Å; F499-F538 HydrophobicContact CD1-CD2 3.64Å; F499-F538 AromaticContact CD1-CE2 3.88Å; F499-F538 HydrophobicContact CD1-CE2 3.88Å; F499-F538 AromaticContact CD1-CG 3.92Å; F499-F538 HydrophobicContact CD1-CG 3.92Å; F499-F538 HydrophobicContact CD1-CZ 4.37Å; F499-F538 HydrophobicContact CE1-CB 3.74Å; F499-F538 HydrophobicContact CE1-CD1 4.28Å; F499-F538 AromaticContact CE1-CD2 3.86Å; F499-F538 HydrophobicContact CE1-CD2 3.86Å; F499-F538 AromaticContact CE1-CG 3.72Å; F499-F538 HydrophobicContact CE1-CG 3.72Å |
| 500 | A | 78 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D496 L497 D498 C504 Q568 V570 | D496-A500 WeakPolarHBondContact O-CB 3.27Å; D496-A500 PolarHBondContact O-N 3.03Å; D496-A500 VanDerWaalsContact O-N 3.1Å; L497-A500 PolarHBondContact O-N 2.92Å; D498-A500 PolarHBondContact O-N 3.39Å; A500-C504 VanDerWaalsContact O-CB 3.3Å; A500-C504 WeakPolarHBondContact O-CB 3.3Å; A500-C504 PolarHBondContact O-N 2.77Å; A500-Q568 HydrophobicContact CB-CB 4.25Å; A500-Q568 HydrophobicContact CB-CG 4.19Å; A500-V570 HydrophobicContact CB-CG2 4.25Å; A500-V570 VanDerWaalsContact O-CG2 3.27Å; A500-V570 WeakPolarHBondContact O-CG2 3.29Å |
| 501 | N | 75.1 | Confident | 76.5 | Confident | 21 Ų | 21 | 31.4 Ų | 31.4 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.1 | -44.7 | 176.9 | -82.2 | -29.3 | 0 | 0 | 0 | 112.9 | L497 D498 F499 A503 C504 K505 Q568 | L497-N501 PolarHBondContact O-N 3.27Å; D498-N501 PolarHBondContact O-N 2.91Å; F499-N501 VanDerWaalsContact C-N 3.31Å; F499-N501 PolarHBondContact O-N 2.81Å; N501-A503 VanDerWaalsContact C-N 3.33Å; N501-C504 PolarHBondContact O-N 2.67Å; N501-K505 WeakPolarHBondContact O-CG 3.27Å; N501-K505 PolarHBondContact O-N 2.95Å; N501-K505 VanDerWaalsContact O-N 3.09Å; N501-Q568 PolarHBondContact OD1-OE1 3.1Å |
| 502 | D | 72.8 | Confident | 77.1 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.1 | -78.9 | -8.6 | 0 | 0 | 0 | 110.4 | L47 V48 D498 F499 K505 A506 | L47-D502 PolarHBondContact N-OD2 3.33Å; V48-D502 HydrophobicContact CG2-CB 4.21Å; D498-D502 PolarHBondContact O-N 2.77Å; F499-D502 PolarHBondContact O-N 2.79Å; D502-K505 PolarHBondContact O-N 2.63Å; D502-A506 WeakPolarHBondContact O-CB 3.41Å; D502-A506 PolarHBondContact O-N 3.16Å |
| 503 | A | 81.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F499 N501 K505 A506 L507 L531 L535 | F499-A503 VanDerWaalsContact O-CB 3.25Å; F499-A503 WeakPolarHBondContact O-CB 3.46Å; F499-A503 PolarHBondContact O-N 2.67Å; N501-A503 VanDerWaalsContact C-N 3.33Å; A503-K505 VanDerWaalsContact C-N 3.27Å; A503-K505 PolarHBondContact O-N 3.41Å; A503-A506 PolarHBondContact O-N 3.44Å; A503-L507 WeakPolarHBondContact O-CB 3.45Å; A503-L507 WeakPolarHBondContact O-CG 3.5Å; A503-L507 PolarHBondContact O-N 2.95Å; A503-L531 HydrophobicContact CB-CD1 3.9Å; A503-L531 HydrophobicContact CB-CD2 4.32Å; A503-L531 HydrophobicContact CB-CG 4.44Å; A503-L535 HydrophobicContact CB-CD1 4.36Å; A503-L535 HydrophobicContact CB-CD2 4.05Å; A503-L535 HydrophobicContact CB-CG 4.48Å |
| 504 | C | 82.2 | Confident | 77.2 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 12% | 0.122 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57 | -40.6 | 178 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | A500 N501 N508 Q568 V570 | A500-C504 VanDerWaalsContact O-CB 3.3Å; A500-C504 WeakPolarHBondContact O-CB 3.3Å; A500-C504 PolarHBondContact O-N 2.77Å; N501-C504 PolarHBondContact O-N 2.67Å; C504-N508 WeakPolarHBondContact O-CB 3.21Å; C504-N508 PolarHBondContact O-N 2.96Å; C504-Q568 PolarHBondContact SG-O 3.08Å; C504-V570 HydrophobicContact CB-CG2 3.99Å |
| 505 | K | 75.7 | Confident | 77.4 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 25% | 0.252 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.5 | -45.9 | 175.8 | -72.4 | 178.9 | -177.6 | 178.9 | 0 | 112.9 | V80 N501 D502 A503 L507 N508 D509 | V80-K505 PolarHBondContact O-NZ 3.33Å; N501-K505 WeakPolarHBondContact O-CG 3.27Å; N501-K505 PolarHBondContact O-N 2.95Å; N501-K505 VanDerWaalsContact O-N 3.09Å; D502-K505 PolarHBondContact O-N 2.63Å; A503-K505 VanDerWaalsContact C-N 3.27Å; A503-K505 PolarHBondContact O-N 3.41Å; K505-L507 PolarHBondContact O-N 2.88Å; K505-N508 PolarHBondContact O-N 2.95Å; K505-N508 VanDerWaalsContact O-N 3.11Å; K505-D509 WeakPolarHBondContact O-CB 3.5Å; K505-D509 PolarHBondContact O-N 3.45Å |
| 506 | A | 77.2 | Confident | 77.3 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D502 A503 F510 L531 | D502-A506 WeakPolarHBondContact O-CB 3.41Å; D502-A506 PolarHBondContact O-N 3.16Å; A503-A506 PolarHBondContact O-N 3.44Å; A506-F510 WeakPolarHBondContact O-CB 3.42Å; A506-F510 PolarHBondContact O-N 3.33Å; A506-F510 VanDerWaalsContact O-N 3.08Å; A506-L531 HydrophobicContact CB-CD2 3.74Å |
| 507 | L | 84.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 173.3 | -67.3 | 170.9 | 0 | 0 | 0 | 111.7 | A503 K505 F510 L511 I528 L531 L535 V570 Q573 I574 L577 | A503-L507 WeakPolarHBondContact O-CB 3.45Å; A503-L507 WeakPolarHBondContact O-CG 3.5Å; A503-L507 PolarHBondContact O-N 2.95Å; K505-L507 PolarHBondContact O-N 2.88Å; L507-F510 PolarHBondContact O-N 3.43Å; L507-L511 VanDerWaalsContact O-CB 3.29Å; L507-L511 WeakPolarHBondContact O-CB 3.21Å; L507-L511 PolarHBondContact O-N 3.09Å; L507-I528 HydrophobicContact CD2-CG2 4.18Å; L507-L531 HydrophobicContact CD2-CD2 4.3Å; L507-L531 HydrophobicContact CG-CD2 4.19Å; L507-L535 HydrophobicContact CD1-CD1 4.33Å; L507-V570 HydrophobicContact CD1-CG1 3.92Å; L507-Q573 HydrophobicContact CB-CB 4.16Å; L507-I574 HydrophobicContact CD1-CG1 4.43Å; L507-L577 HydrophobicContact CB-CD1 3.89Å; L507-L577 HydrophobicContact CD2-CD1 3.6Å; L507-L577 HydrophobicContact CG-CD1 4.28Å |
| 508 | N | 81.9 | Confident | 76 | Confident | 56 Ų | 56 | 43 Ų | 43 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 177.2 | -163 | 38 | 0 | 0 | 0 | 112.6 | C504 K505 F510 L511 E512 Q573 | C504-N508 WeakPolarHBondContact O-CB 3.21Å; C504-N508 PolarHBondContact O-N 2.96Å; K505-N508 PolarHBondContact O-N 2.95Å; K505-N508 VanDerWaalsContact O-N 3.11Å; N508-F510 PolarHBondContact O-N 2.86Å; N508-L511 WeakPolarHBondContact O-CB 3.43Å; N508-L511 PolarHBondContact O-N 3.44Å; N508-E512 WeakPolarHBondContact O-CB 3.01Å; N508-E512 WeakPolarHBondContact O-CG 3.37Å; N508-E512 PolarHBondContact O-N 3.22Å; N508-Q573 VanDerWaalsContact CB-NE2 3.28Å; N508-Q573 PolarHBondContact OD1-NE2 2.95Å |
| 509 | D | 78.4 | Confident | 75.4 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -34.1 | 176.8 | -79.1 | -0.5 | 0 | 0 | 0 | 111.3 | K505 R513 | K505-D509 WeakPolarHBondContact O-CB 3.5Å; K505-D509 PolarHBondContact O-N 3.45Å; D509-R513 WeakPolarHBondContact O-CD 3.38Å; D509-R513 WeakPolarHBondContact O-CG 3.26Å; D509-R513 PolarHBondContact O-N 3.01Å |
| 510 | F | 81.8 | Confident | 74.5 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -44.8 | 173.5 | -173.2 | -114.2 | 0 | 0 | 0 | 111.9 | A506 L507 N508 R513 I514 V520 I528 L577 M609 | A506-F510 WeakPolarHBondContact O-CB 3.42Å; A506-F510 PolarHBondContact O-N 3.33Å; A506-F510 VanDerWaalsContact O-N 3.08Å; L507-F510 PolarHBondContact O-N 3.43Å; N508-F510 PolarHBondContact O-N 2.86Å; F510-R513 WeakPolarHBondContact O-CB 3.42Å; F510-R513 PolarHBondContact O-N 2.6Å; F510-I514 HydrophobicContact CD1-CD1 3.79Å; F510-I514 HydrophobicContact CE1-CD1 3.47Å; F510-I514 VanDerWaalsContact CE1-CD1 3.47Å; F510-I514 HydrophobicContact CE1-CG1 4.45Å; F510-I514 HydrophobicContact CG-CD1 4.49Å; F510-I514 HydrophobicContact CZ-CD1 3.94Å; F510-I514 WeakPolarHBondContact O-CG1 3.29Å; F510-I514 PolarHBondContact O-N 2.99Å; F510-V520 HydrophobicContact CE2-CG1 3.6Å; F510-V520 HydrophobicContact CE2-CG2 4.12Å; F510-V520 HydrophobicContact CZ-CG1 4.14Å; F510-I528 HydrophobicContact CB-CD1 3.83Å; F510-I528 HydrophobicContact CB-CG1 4.07Å; F510-I528 HydrophobicContact CD1-CD1 4.47Å; F510-I528 HydrophobicContact CD1-CG1 4Å; F510-I528 HydrophobicContact CD1-CG2 4.21Å; F510-I528 HydrophobicContact CD2-CD1 4.44Å; F510-I528 HydrophobicContact CD2-CG1 3.76Å; F510-I528 HydrophobicContact CE1-CG1 4.37Å; F510-I528 HydrophobicContact CE1-CG2 4.31Å; F510-I528 HydrophobicContact CE2-CG1 4.14Å; F510-I528 HydrophobicContact CG-CD1 4.04Å; F510-I528 HydrophobicContact CG-CG1 3.69Å; F510-I528 HydrophobicContact CZ-CG1 4.45Å; F510-L577 HydrophobicContact CD1-CD2 3.6Å; F510-L577 HydrophobicContact CE1-CD2 4.06Å; F510-M609 HydrophobicContact CE1-CE 4.06Å; F510-M609 HydrophobicContact CE1-SD 3.96Å; F510-M609 HydrophobicContact CZ-CE 4.06Å; F510-M609 HydrophobicContact CZ-SD 4.42Å |
| 511 | L | 81 | Confident | 73.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 174.3 | -177.3 | 93.7 | 0 | 0 | 0 | 111.7 | L507 N508 R513 I514 R515 D576 L577 A580 | L507-L511 VanDerWaalsContact O-CB 3.29Å; L507-L511 WeakPolarHBondContact O-CB 3.21Å; L507-L511 PolarHBondContact O-N 3.09Å; N508-L511 WeakPolarHBondContact O-CB 3.43Å; N508-L511 PolarHBondContact O-N 3.44Å; L511-R513 VanDerWaalsContact C-N 3.29Å; L511-R513 PolarHBondContact O-N 3.08Å; L511-I514 WeakPolarHBondContact O-CB 3.43Å; L511-I514 PolarHBondContact O-N 3.13Å; L511-I514 VanDerWaalsContact O-N 3.15Å; L511-R515 WeakPolarHBondContact O-CG 3.24Å; L511-R515 PolarHBondContact O-N 2.99Å; L511-D576 VanDerWaalsContact CD1-C 3.43Å; L511-D576 HydrophobicContact CD1-CB 3.65Å; L511-D576 WeakPolarHBondContact CD1-O 3.37Å; L511-D576 HydrophobicContact CD2-CB 4.16Å; L511-L577 HydrophobicContact CB-CD2 4.22Å; L511-L577 HydrophobicContact CB-CG 4.3Å; L511-L577 HydrophobicContact CD1-CB 4.37Å; L511-L577 HydrophobicContact CD1-CD2 4.04Å; L511-L577 HydrophobicContact CD1-CG 3.76Å; L511-A580 HydrophobicContact CD1-CB 4.03Å |
| 512 | E | 78 | Confident | 73.1 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 178.1 | -77.1 | -59.2 | 127.2 | 0 | 0 | 112 | N508 R515 Q516 | N508-E512 WeakPolarHBondContact O-CB 3.01Å; N508-E512 WeakPolarHBondContact O-CG 3.37Å; N508-E512 PolarHBondContact O-N 3.22Å; E512-R515 PolarHBondContact O-N 3.03Å; E512-R515 WeakPolarHBondContact OE1-CD 3.41Å; E512-R515 IonicContact OE1-CZ 3.9Å; E512-R515 IonicContact OE1-NH1 2.84Å; E512-R515 PolarHBondContact OE1-NH1 3.18Å; E512-Q516 VanDerWaalsContact O-CB 3.24Å; E512-Q516 WeakPolarHBondContact O-CB 3.36Å; E512-Q516 WeakPolarHBondContact O-CG 3.38Å; E512-Q516 PolarHBondContact O-N 3.22Å |
| 513 | R | 75.2 | Confident | 72.6 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 172.1 | -74.3 | 167 | -175.2 | -95.5 | -4.4 | 112.4 | D509 F510 L511 Q516 G517 R518 K524 | D509-R513 WeakPolarHBondContact O-CD 3.38Å; D509-R513 WeakPolarHBondContact O-CG 3.26Å; D509-R513 PolarHBondContact O-N 3.01Å; F510-R513 WeakPolarHBondContact O-CB 3.42Å; F510-R513 PolarHBondContact O-N 2.6Å; L511-R513 VanDerWaalsContact C-N 3.29Å; L511-R513 PolarHBondContact O-N 3.08Å; R513-Q516 PolarHBondContact O-N 2.89Å; R513-G517 PolarHBondContact O-N 2.97Å; R513-G517 VanDerWaalsContact O-N 3.16Å; R513-R518 PolarHBondContact O-N 2.89Å; R513-R518 VanDerWaalsContact O-N 3.1Å; R513-K524 VanDerWaalsContact CZ-NZ 3.33Å; R513-K524 VanDerWaalsContact NH2-NZ 3.18Å |
| 514 | I | 73.7 | Confident | 71.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175 | -68.5 | 169.5 | 0 | 0 | 0 | 110 | F510 L511 Q516 G517 V520 L577 A580 R585 L591 | F510-I514 HydrophobicContact CD1-CD1 3.79Å; F510-I514 HydrophobicContact CE1-CD1 3.47Å; F510-I514 VanDerWaalsContact CE1-CD1 3.47Å; F510-I514 HydrophobicContact CE1-CG1 4.45Å; F510-I514 HydrophobicContact CG-CD1 4.49Å; F510-I514 HydrophobicContact CZ-CD1 3.94Å; F510-I514 WeakPolarHBondContact O-CG1 3.29Å; F510-I514 PolarHBondContact O-N 2.99Å; L511-I514 WeakPolarHBondContact O-CB 3.43Å; L511-I514 PolarHBondContact O-N 3.13Å; L511-I514 VanDerWaalsContact O-N 3.15Å; I514-Q516 VanDerWaalsContact C-N 3.34Å; I514-Q516 PolarHBondContact O-N 3.36Å; I514-G517 PolarHBondContact O-N 3.38Å; I514-G517 VanDerWaalsContact O-N 3.14Å; I514-V520 HydrophobicContact CG1-CG2 4.46Å; I514-L577 HydrophobicContact CD1-CD2 3.84Å; I514-A580 HydrophobicContact CG2-CB 4.27Å; I514-R585 WeakPolarHBondContact O-CD 3.47Å; I514-L591 HydrophobicContact CG2-CD1 4.29Å |
| 515 | R | 73.9 | Confident | 71.3 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 39% | 0.389 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 176.6 | -73.8 | 176.9 | 173.3 | 165.9 | 1.8 | 112.4 | L511 E512 G517 D576 | L511-R515 WeakPolarHBondContact O-CG 3.24Å; L511-R515 PolarHBondContact O-N 2.99Å; E512-R515 PolarHBondContact O-N 3.03Å; E512-R515 WeakPolarHBondContact OE1-CD 3.41Å; E512-R515 IonicContact OE1-CZ 3.9Å; E512-R515 IonicContact OE1-NH1 2.84Å; E512-R515 PolarHBondContact OE1-NH1 3.18Å; R515-G517 VanDerWaalsContact C-N 3.27Å; R515-G517 PolarHBondContact O-N 2.93Å; R515-D576 IonicContact NH2-OD2 3.74Å; R515-D576 PolarHBondContact NH2-OD2 3.27Å |
| 516 | Q | 71.4 | Confident | 71.2 | Confident | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.9 | 176.3 | -70.3 | 171.3 | 15.9 | 0 | 0 | 114 | E512 R513 I514 R518 | E512-Q516 VanDerWaalsContact O-CB 3.24Å; E512-Q516 WeakPolarHBondContact O-CB 3.36Å; E512-Q516 WeakPolarHBondContact O-CG 3.38Å; E512-Q516 PolarHBondContact O-N 3.22Å; R513-Q516 PolarHBondContact O-N 2.89Å; I514-Q516 VanDerWaalsContact C-N 3.34Å; I514-Q516 PolarHBondContact O-N 3.36Å; Q516-R518 VanDerWaalsContact C-N 3.28Å; Q516-R518 HydrophobicContact CB-CG 4.3Å; Q516-R518 PolarHBondContact O-N 3.24Å |
| 517 | G | 60.2 | Low | 71 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 21.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R513 I514 R515 | R513-G517 PolarHBondContact O-N 2.97Å; R513-G517 VanDerWaalsContact O-N 3.16Å; I514-G517 PolarHBondContact O-N 3.38Å; I514-G517 VanDerWaalsContact O-N 3.14Å; R515-G517 VanDerWaalsContact C-N 3.27Å; R515-G517 PolarHBondContact O-N 2.93Å |
| 518 | R | 65.3 | Low | 70.9 | Confident | 147 Ų | 147 | 75.7 Ų | 75.7 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | trans | -75.2 | 139.9 | 178.6 | -68.9 | 178.1 | 176.3 | 169.1 | -1.8 | 110.3 | R513 Q516 V520 | R513-R518 PolarHBondContact O-N 2.89Å; R513-R518 VanDerWaalsContact O-N 3.1Å; Q516-R518 VanDerWaalsContact C-N 3.28Å; Q516-R518 HydrophobicContact CB-CG 4.3Å; Q516-R518 PolarHBondContact O-N 3.24Å; R518-V520 PolarHBondContact O-N 3.39Å; R518-V520 VanDerWaalsContact O-N 3.11Å | ||
| 519 | N | 58.2 | Low | 70.9 | Confident | 164 Ų | 164 | 74 Ų | 74 | 88% | 0.877 | 35% | 0.354 | S | S | * | . | trans | -57.3 | 117.8 | 175.2 | -95.8 | -11.3 | 0 | 0 | 0 | 110.7 | V521 | N519-V521 PolarHBondContact O-N 2.89Å; N519-V521 VanDerWaalsContact O-N 3.17Å | ||
| 520 | V | 59.2 | Low | 70.9 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | trans | -74.6 | 103.9 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 108 | F510 I514 R518 A525 | F510-V520 HydrophobicContact CE2-CG1 3.6Å; F510-V520 HydrophobicContact CE2-CG2 4.12Å; F510-V520 HydrophobicContact CZ-CG1 4.14Å; I514-V520 HydrophobicContact CG1-CG2 4.46Å; R518-V520 PolarHBondContact O-N 3.39Å; R518-V520 VanDerWaalsContact O-N 3.11Å; V520-A525 HydrophobicContact CG1-CB 4.07Å | ||
| 521 | V | 59.9 | Low | 71 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | trans | -58.8 | 137.7 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 109 | N519 D523 K524 A525 | N519-V521 PolarHBondContact O-N 2.89Å; N519-V521 VanDerWaalsContact O-N 3.17Å; V521-D523 HydrophobicContact CG1-CB 4.24Å; V521-D523 PolarHBondContact O-N 2.9Å; V521-D523 VanDerWaalsContact O-N 3.09Å; V521-K524 PolarHBondContact O-N 3.4Å; V521-A525 PolarHBondContact O-N 3.16Å | ||
| 522 | K | 62.3 | Low | 71.2 | Confident | 184 Ų | 184 | 72.2 Ų | 72.2 | 80% | 0.8 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -48.8 | -38.6 | -179.9 | -72.7 | -174.3 | 176.5 | -177.7 | 0 | 112.7 | K524 A525 Y526 | K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 2.92Å; K522-A525 PolarHBondContact O-N 2.89Å; K522-Y526 PolarHBondContact O-N 3.31Å |
| 523 | D | 62.2 | Low | 71.4 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 177.4 | -64.4 | -4.9 | 0 | 0 | 0 | 113.3 | V521 Y526 M527 | V521-D523 HydrophobicContact CG1-CB 4.24Å; V521-D523 PolarHBondContact O-N 2.9Å; V521-D523 VanDerWaalsContact O-N 3.09Å; D523-Y526 PolarHBondContact O-N 3.48Å; D523-M527 WeakPolarHBondContact O-CG 3.49Å; D523-M527 PolarHBondContact O-N 2.72Å |
| 524 | K | 67.1 | Low | 71.7 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.7 | -37.1 | 179 | -69.6 | -149.4 | 174 | -147.6 | 0 | 112.4 | R513 V521 K522 Y526 M527 I528 | R513-K524 VanDerWaalsContact CZ-NZ 3.33Å; R513-K524 VanDerWaalsContact NH2-NZ 3.18Å; V521-K524 PolarHBondContact O-N 3.4Å; K522-K524 VanDerWaalsContact C-N 3.33Å; K522-K524 PolarHBondContact O-N 2.92Å; K524-Y526 VanDerWaalsContact C-N 3.29Å; K524-M527 PolarHBondContact O-N 3.49Å; K524-I528 WeakPolarHBondContact O-CG1 3.47Å; K524-I528 PolarHBondContact O-N 3.26Å |
| 525 | A | 70.5 | Confident | 72.3 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V520 V521 K522 I528 T529 | V520-A525 HydrophobicContact CG1-CB 4.07Å; V521-A525 PolarHBondContact O-N 3.16Å; K522-A525 PolarHBondContact O-N 2.89Å; A525-I528 PolarHBondContact O-N 2.91Å; A525-T529 PolarHBondContact O-N 3.44Å; A525-T529 PolarHBondContact O-OG1 3.49Å |
| 526 | Y | 72.7 | Confident | 72.8 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 173.9 | -178.8 | -97 | 0 | 0 | 0 | 112.3 | K522 D523 K524 I528 T529 Q530 | K522-Y526 PolarHBondContact O-N 3.31Å; D523-Y526 PolarHBondContact O-N 3.48Å; K524-Y526 VanDerWaalsContact C-N 3.29Å; Y526-I528 PolarHBondContact O-N 3.38Å; Y526-T529 PolarHBondContact O-N 3.47Å; Y526-Q530 HydrophobicContact CD1-CG 4.2Å; Y526-Q530 HydrophobicContact CE1-CG 3.78Å; Y526-Q530 HydrophobicContact CE2-CG 4.38Å; Y526-Q530 WeakPolarHBondContact O-CG 3.42Å; Y526-Q530 PolarHBondContact O-N 2.9Å; Y526-Q530 PolarHBondContact OH-NE2 3.12Å |
| 527 | M | 74.2 | Confident | 73.2 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.8 | -66.9 | -123.2 | -65.9 | 0 | 0 | 112.9 | D523 K524 Q530 L531 | D523-M527 WeakPolarHBondContact O-CG 3.49Å; D523-M527 PolarHBondContact O-N 2.72Å; K524-M527 PolarHBondContact O-N 3.49Å; M527-Q530 PolarHBondContact O-N 2.97Å; M527-L531 WeakPolarHBondContact O-CB 3.25Å; M527-L531 PolarHBondContact O-N 3.23Å |
| 528 | I | 82.3 | Confident | 74.3 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.4 | -37.6 | 178.1 | -62.4 | -66.4 | 0 | 0 | 0 | 111.1 | L507 F510 K524 A525 Y526 Q530 L531 L532 M609 | L507-I528 HydrophobicContact CD2-CG2 4.18Å; F510-I528 HydrophobicContact CB-CD1 3.83Å; F510-I528 HydrophobicContact CB-CG1 4.07Å; F510-I528 HydrophobicContact CD1-CD1 4.47Å; F510-I528 HydrophobicContact CD1-CG1 4Å; F510-I528 HydrophobicContact CD1-CG2 4.21Å; F510-I528 HydrophobicContact CD2-CD1 4.44Å; F510-I528 HydrophobicContact CD2-CG1 3.76Å; F510-I528 HydrophobicContact CE1-CG1 4.37Å; F510-I528 HydrophobicContact CE1-CG2 4.31Å; F510-I528 HydrophobicContact CE2-CG1 4.14Å; F510-I528 HydrophobicContact CG-CD1 4.04Å; F510-I528 HydrophobicContact CG-CG1 3.69Å; F510-I528 HydrophobicContact CZ-CG1 4.45Å; K524-I528 WeakPolarHBondContact O-CG1 3.47Å; K524-I528 PolarHBondContact O-N 3.26Å; A525-I528 PolarHBondContact O-N 2.91Å; Y526-I528 PolarHBondContact O-N 3.38Å; I528-Q530 VanDerWaalsContact C-N 3.33Å; I528-Q530 PolarHBondContact O-N 3.09Å; I528-L531 HydrophobicContact CD1-CD2 4.35Å; I528-L531 PolarHBondContact O-N 3.06Å; I528-L532 HydrophobicContact CG2-CD1 4.37Å; I528-L532 HydrophobicContact CG2-CG 4.48Å; I528-L532 WeakPolarHBondContact O-CG 3.37Å; I528-L532 PolarHBondContact O-N 2.76Å; I528-M609 HydrophobicContact CB-CE 3.57Å; I528-M609 HydrophobicContact CG2-CE 3.4Å; I528-M609 VanDerWaalsContact CG2-CE 3.4Å; I528-M609 HydrophobicContact CG2-SD 3.99Å |
| 529 | T | 80.6 | Confident | 75.2 | Confident | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | A525 Y526 L531 L532 I533 L612 | A525-T529 PolarHBondContact O-N 3.44Å; A525-T529 PolarHBondContact O-OG1 3.49Å; Y526-T529 PolarHBondContact O-N 3.47Å; T529-L531 PolarHBondContact O-N 2.98Å; T529-L532 PolarHBondContact O-N 3.17Å; T529-I533 HydrophobicContact CG2-CD1 4.29Å; T529-I533 VanDerWaalsContact O-CG1 3.26Å; T529-I533 WeakPolarHBondContact O-CG1 3.44Å; T529-I533 PolarHBondContact O-N 3.27Å; T529-I533 VanDerWaalsContact O-N 3.09Å; T529-L612 HydrophobicContact CG2-CD1 3.82Å |
| 530 | Q | 80.2 | Confident | 76.1 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 175.3 | -70.9 | -60.3 | -17.7 | 0 | 0 | 112.5 | Y526 M527 I528 L532 I533 E534 | Y526-Q530 HydrophobicContact CD1-CG 4.2Å; Y526-Q530 HydrophobicContact CE1-CG 3.78Å; Y526-Q530 HydrophobicContact CE2-CG 4.38Å; Y526-Q530 WeakPolarHBondContact O-CG 3.42Å; Y526-Q530 PolarHBondContact O-N 2.9Å; Y526-Q530 PolarHBondContact OH-NE2 3.12Å; M527-Q530 PolarHBondContact O-N 2.97Å; I528-Q530 VanDerWaalsContact C-N 3.33Å; I528-Q530 PolarHBondContact O-N 3.09Å; Q530-L532 VanDerWaalsContact C-N 3.33Å; Q530-L532 PolarHBondContact O-N 3.01Å; Q530-I533 WeakPolarHBondContact O-CB 3.3Å; Q530-I533 PolarHBondContact O-N 3.28Å; Q530-I533 VanDerWaalsContact O-N 3.13Å; Q530-E534 WeakPolarHBondContact O-CG 3.21Å; Q530-E534 PolarHBondContact O-N 3.4Å |
| 531 | L | 83.5 | Confident | 76.7 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.6 | 178.9 | 64.4 | 0 | 0 | 0 | 112.7 | V48 F499 A503 A506 L507 M527 I528 T529 I533 E534 L535 | V48-L531 HydrophobicContact CG1-CD1 3.96Å; V48-L531 HydrophobicContact CG2-CD1 4.13Å; F499-L531 HydrophobicContact CE2-CD1 4.46Å; A503-L531 HydrophobicContact CB-CD1 3.9Å; A503-L531 HydrophobicContact CB-CD2 4.32Å; A503-L531 HydrophobicContact CB-CG 4.44Å; A506-L531 HydrophobicContact CB-CD2 3.74Å; L507-L531 HydrophobicContact CD2-CD2 4.3Å; L507-L531 HydrophobicContact CG-CD2 4.19Å; M527-L531 WeakPolarHBondContact O-CB 3.25Å; M527-L531 PolarHBondContact O-N 3.23Å; I528-L531 HydrophobicContact CD1-CD2 4.35Å; I528-L531 PolarHBondContact O-N 3.06Å; T529-L531 PolarHBondContact O-N 2.98Å; L531-I533 VanDerWaalsContact C-N 3.31Å; L531-I533 PolarHBondContact O-N 3.08Å; L531-E534 PolarHBondContact O-N 3.29Å; L531-L535 HydrophobicContact CG-CD1 4.3Å; L531-L535 WeakPolarHBondContact O-CB 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.46Å; L531-L535 PolarHBondContact O-N 2.89Å |
| 532 | L | 85.3 | Confident | 77 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 175.9 | -71.9 | 171.3 | 0 | 0 | 0 | 111.8 | I528 T529 Q530 L535 I536 M609 L612 M613 L616 | I528-L532 HydrophobicContact CG2-CD1 4.37Å; I528-L532 HydrophobicContact CG2-CG 4.48Å; I528-L532 WeakPolarHBondContact O-CG 3.37Å; I528-L532 PolarHBondContact O-N 2.76Å; T529-L532 PolarHBondContact O-N 3.17Å; Q530-L532 VanDerWaalsContact C-N 3.33Å; Q530-L532 PolarHBondContact O-N 3.01Å; L532-L535 HydrophobicContact CD2-CD1 4.34Å; L532-L535 PolarHBondContact O-N 3.39Å; L532-I536 WeakPolarHBondContact O-CG1 3.23Å; L532-I536 PolarHBondContact O-N 3.46Å; L532-M609 HydrophobicContact CD1-CB 4.43Å; L532-M609 HydrophobicContact CD1-CG 3.36Å; L532-L612 HydrophobicContact CB-CB 4.1Å; L532-L612 HydrophobicContact CB-CD1 4.39Å; L532-L612 HydrophobicContact CD1-CB 4.3Å; L532-M613 HydrophobicContact CD1-CG 3.87Å; L532-M613 HydrophobicContact CD2-CG 3.88Å; L532-L616 HydrophobicContact CD2-CD2 4.41Å |
| 533 | I | 81.8 | Confident | 76.8 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 174.4 | -64.5 | 175.7 | 0 | 0 | 0 | 110.1 | T529 Q530 L531 L535 I536 Y537 P549 L612 | T529-I533 HydrophobicContact CG2-CD1 4.29Å; T529-I533 VanDerWaalsContact O-CG1 3.26Å; T529-I533 WeakPolarHBondContact O-CG1 3.44Å; T529-I533 PolarHBondContact O-N 3.27Å; T529-I533 VanDerWaalsContact O-N 3.09Å; Q530-I533 WeakPolarHBondContact O-CB 3.3Å; Q530-I533 PolarHBondContact O-N 3.28Å; Q530-I533 VanDerWaalsContact O-N 3.13Å; L531-I533 VanDerWaalsContact C-N 3.31Å; L531-I533 PolarHBondContact O-N 3.08Å; I533-L535 VanDerWaalsContact C-N 3.31Å; I533-L535 PolarHBondContact O-N 3.38Å; I533-I536 WeakPolarHBondContact O-CB 3.49Å; I533-I536 PolarHBondContact O-N 2.74Å; I533-I536 VanDerWaalsContact O-N 3.13Å; I533-Y537 HydrophobicContact CG2-CD2 3.84Å; I533-Y537 HydrophobicContact CG2-CE2 3.25Å; I533-Y537 WeakPolarHBondContact O-CD2 3.47Å; I533-Y537 PolarHBondContact O-N 2.87Å; I533-P549 HydrophobicContact CB-CG 4.36Å; I533-P549 HydrophobicContact CD1-CG 4.12Å; I533-P549 HydrophobicContact CG1-CG 3.77Å; I533-P549 HydrophobicContact CG2-CB 4.39Å; I533-P549 HydrophobicContact CG2-CG 3.95Å; I533-L612 HydrophobicContact CD1-CD1 4.36Å; I533-L612 HydrophobicContact CG1-CD1 3.82Å; I533-L612 HydrophobicContact CG1-CD2 4.18Å |
| 534 | E | 81.7 | Confident | 76.4 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 174.9 | -70 | -176.5 | 172 | 0 | 0 | 112.6 | F499 Q530 L531 I536 Y537 F538 | F499-E534 HydrophobicContact CE2-CB 4.29Å; F499-E534 HydrophobicContact CZ-CB 3.87Å; Q530-E534 WeakPolarHBondContact O-CG 3.21Å; Q530-E534 PolarHBondContact O-N 3.4Å; L531-E534 PolarHBondContact O-N 3.29Å; E534-I536 VanDerWaalsContact C-N 3.35Å; E534-Y537 PolarHBondContact O-N 3.48Å; E534-F538 VanDerWaalsContact O-CB 3.23Å; E534-F538 WeakPolarHBondContact O-CB 3.29Å; E534-F538 PolarHBondContact O-N 3.34Å |
| 535 | L | 86 | Confident | 75.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 174.5 | -77.1 | 166.8 | 0 | 0 | 0 | 112.5 | F499 A503 L507 L531 L532 I533 F538 V539 L565 V570 L616 | F499-L535 HydrophobicContact CE1-CD2 3.75Å; F499-L535 HydrophobicContact CE1-CG 4.35Å; F499-L535 HydrophobicContact CZ-CD2 4.25Å; F499-L535 HydrophobicContact CZ-CG 4.38Å; A503-L535 HydrophobicContact CB-CD1 4.36Å; A503-L535 HydrophobicContact CB-CD2 4.05Å; A503-L535 HydrophobicContact CB-CG 4.48Å; L507-L535 HydrophobicContact CD1-CD1 4.33Å; L531-L535 HydrophobicContact CG-CD1 4.3Å; L531-L535 WeakPolarHBondContact O-CB 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.46Å; L531-L535 PolarHBondContact O-N 2.89Å; L532-L535 HydrophobicContact CD2-CD1 4.34Å; L532-L535 PolarHBondContact O-N 3.39Å; I533-L535 VanDerWaalsContact C-N 3.31Å; I533-L535 PolarHBondContact O-N 3.38Å; L535-F538 WeakPolarHBondContact O-CB 3.23Å; L535-V539 WeakPolarHBondContact O-CG2 3.17Å; L535-V539 PolarHBondContact O-N 2.91Å; L535-V539 VanDerWaalsContact O-N 3.17Å; L535-L565 HydrophobicContact CD2-CD2 3.78Å; L535-V570 HydrophobicContact CD1-CG1 4.24Å; L535-V570 HydrophobicContact CD2-CG1 4.3Å; L535-L616 HydrophobicContact CB-CD1 4.1Å; L535-L616 HydrophobicContact CB-CD2 3.7Å; L535-L616 HydrophobicContact CD1-CD2 4.03Å; L535-L616 HydrophobicContact CG-CD2 4.44Å; L535-L616 WeakPolarHBondContact O-CD1 3.44Å |
| 536 | I | 83.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -53.7 | 173 | -69.3 | 166.3 | 0 | 0 | 0 | 108.9 | L532 I533 E534 F538 V539 T540 P549 I552 L612 T615 L616 F619 | L532-I536 WeakPolarHBondContact O-CG1 3.23Å; L532-I536 PolarHBondContact O-N 3.46Å; I533-I536 WeakPolarHBondContact O-CB 3.49Å; I533-I536 PolarHBondContact O-N 2.74Å; I533-I536 VanDerWaalsContact O-N 3.13Å; E534-I536 VanDerWaalsContact C-N 3.35Å; I536-F538 PolarHBondContact O-N 2.76Å; I536-V539 PolarHBondContact O-N 3.25Å; I536-T540 HydrophobicContact CG2-CG2 4.07Å; I536-T540 WeakPolarHBondContact O-CG2 3.14Å; I536-T540 PolarHBondContact O-N 2.92Å; I536-T540 PolarHBondContact O-OG1 3.48Å; I536-P549 HydrophobicContact CD1-CB 4.01Å; I536-P549 HydrophobicContact CG2-CB 4.3Å; I536-I552 HydrophobicContact CG2-CD1 4.24Å; I536-L612 HydrophobicContact CD1-CB 4.18Å; I536-L612 HydrophobicContact CD1-CD2 3.62Å; I536-T615 HydrophobicContact CD1-CG2 3.99Å; I536-L616 HydrophobicContact CG1-CB 4.08Å; I536-L616 HydrophobicContact CG1-CD1 4.27Å; I536-F619 HydrophobicContact CG2-CD2 4.03Å; I536-F619 HydrophobicContact CG2-CE2 4.04Å |
| 537 | Y | 81.3 | Confident | 74.2 | Confident | 17 Ų | 17 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -37 | 177 | -64.2 | -38.3 | 0 | 0 | 0 | 113 | I533 E534 T540 N541 T542 H545 E547 I552 | I533-Y537 HydrophobicContact CG2-CD2 3.84Å; I533-Y537 HydrophobicContact CG2-CE2 3.25Å; I533-Y537 WeakPolarHBondContact O-CD2 3.47Å; I533-Y537 PolarHBondContact O-N 2.87Å; E534-Y537 PolarHBondContact O-N 3.48Å; Y537-T540 VanDerWaalsContact CA-OG1 3.28Å; Y537-T540 WeakPolarHBondContact CA-OG1 3.46Å; Y537-T540 PolarHBondContact O-OG1 3.27Å; Y537-N541 WeakPolarHBondContact O-CA 3.45Å; Y537-N541 PolarHBondContact O-N 3.4Å; Y537-T542 VanDerWaalsContact CD1-OG1 3.24Å; Y537-T542 WeakPolarHBondContact CD1-OG1 3.45Å; Y537-T542 PolarHBondContact O-N 2.86Å; Y537-H545 AromaticContact CD2-ND1 3.62Å; Y537-H545 HydrophobicContact CE2-CB 4.41Å; Y537-H545 AromaticContact CE2-ND1 3.72Å; Y537-E547 PolarHBondContact OH-O 2.9Å; Y537-I552 HydrophobicContact CD1-CD1 3.81Å; Y537-I552 HydrophobicContact CE1-CD1 3.51Å |
| 538 | F | 83.6 | Confident | 73.5 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.5 | 175.4 | -104.3 | 0 | 0 | 0 | 111.6 | D496 F499 E534 L535 I536 R561 L564 L565 | D496-F538 HydrophobicContact CB-CE2 3.6Å; D496-F538 HydrophobicContact CB-CZ 3.8Å; F499-F538 HydrophobicContact CD1-CB 4.4Å; F499-F538 HydrophobicContact CD1-CD1 4.41Å; F499-F538 AromaticContact CD1-CD2 3.64Å; F499-F538 HydrophobicContact CD1-CD2 3.64Å; F499-F538 AromaticContact CD1-CE2 3.88Å; F499-F538 HydrophobicContact CD1-CE2 3.88Å; F499-F538 AromaticContact CD1-CG 3.92Å; F499-F538 HydrophobicContact CD1-CG 3.92Å; F499-F538 HydrophobicContact CD1-CZ 4.37Å; F499-F538 HydrophobicContact CE1-CB 3.74Å; F499-F538 HydrophobicContact CE1-CD1 4.28Å; F499-F538 AromaticContact CE1-CD2 3.86Å; F499-F538 HydrophobicContact CE1-CD2 3.86Å; F499-F538 AromaticContact CE1-CG 3.72Å; F499-F538 HydrophobicContact CE1-CG 3.72Å; E534-F538 VanDerWaalsContact O-CB 3.23Å; E534-F538 WeakPolarHBondContact O-CB 3.29Å; E534-F538 PolarHBondContact O-N 3.34Å; L535-F538 WeakPolarHBondContact O-CB 3.23Å; I536-F538 PolarHBondContact O-N 2.76Å; F538-R561 HydrophobicContact CD1-CB 4.08Å; F538-R561 HydrophobicContact CD1-CG 4.47Å; F538-R561 HydrophobicContact CD2-CG 4.44Å; F538-R561 HydrophobicContact CE1-CB 3.57Å; F538-R561 HydrophobicContact CE1-CG 3.91Å; F538-R561 HydrophobicContact CE2-CB 4.45Å; F538-R561 HydrophobicContact CE2-CG 3.88Å; F538-R561 HydrophobicContact CZ-CB 3.79Å; F538-R561 HydrophobicContact CZ-CG 3.58Å; F538-R561 WeakPolarHBondContact O-CD 3.42Å; F538-R561 PolarHBondContact O-NH1 3.16Å; F538-L564 HydrophobicContact CZ-CD1 4.3Å; F538-L565 HydrophobicContact CD1-CD2 4.23Å; F538-L565 HydrophobicContact CE1-CD2 4.1Å; F538-L565 HydrophobicContact CE1-CG 4.4Å |
| 539 | V | 82.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.2 | -40.8 | -179.5 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | L535 I536 N541 P557 S558 Q562 L565 L616 F619 | L535-V539 WeakPolarHBondContact O-CG2 3.17Å; L535-V539 PolarHBondContact O-N 2.91Å; L535-V539 VanDerWaalsContact O-N 3.17Å; I536-V539 PolarHBondContact O-N 3.25Å; V539-N541 VanDerWaalsContact C-N 3.29Å; V539-N541 PolarHBondContact O-N 3.05Å; V539-P557 HydrophobicContact CG1-CB 4.26Å; V539-P557 WeakPolarHBondContact O-CB 3.45Å; V539-S558 PolarHBondContact O-N 3.39Å; V539-Q562 HydrophobicContact CG1-CG 3.88Å; V539-L565 HydrophobicContact CG2-CD1 3.26Å; V539-L565 HydrophobicContact CG2-CG 4.26Å; V539-L616 HydrophobicContact CG2-CD1 3.82Å; V539-F619 HydrophobicContact CG1-CB 3.84Å; V539-F619 WeakPolarHBondContact CG1-O 3.35Å |
| 540 | T | 76.8 | Confident | 71.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.9 | -15 | -176.1 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | I536 Y537 T542 I552 V554 F619 | I536-T540 HydrophobicContact CG2-CG2 4.07Å; I536-T540 WeakPolarHBondContact O-CG2 3.14Å; I536-T540 PolarHBondContact O-N 2.92Å; I536-T540 PolarHBondContact O-OG1 3.48Å; Y537-T540 VanDerWaalsContact CA-OG1 3.28Å; Y537-T540 WeakPolarHBondContact CA-OG1 3.46Å; Y537-T540 PolarHBondContact O-OG1 3.27Å; T540-T542 PolarHBondContact O-N 3.44Å; T540-T542 PolarHBondContact OG1-OG1 2.9Å; T540-I552 HydrophobicContact CG2-CG2 4.27Å; T540-V554 VanDerWaalsContact CB-CG2 3.4Å; T540-V554 HydrophobicContact CG2-CB 4.29Å; T540-V554 HydrophobicContact CG2-CG2 3.51Å; T540-F619 HydrophobicContact CG2-CB 4.39Å; T540-F619 HydrophobicContact CG2-CD1 4.14Å; T540-F619 HydrophobicContact CG2-CD2 3.83Å; T540-F619 HydrophobicContact CG2-CE1 4.37Å; T540-F619 HydrophobicContact CG2-CE2 4.05Å; T540-F619 HydrophobicContact CG2-CG 3.88Å; T540-F619 HydrophobicContact CG2-CZ 4.32Å |
| 541 | N | 73.4 | Confident | 71 | Confident | 96 Ų | 96 | 48.5 Ų | 48.5 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29 | -174.8 | -162 | 47.4 | 0 | 0 | 0 | 113.4 | Y537 V539 R561 | Y537-N541 WeakPolarHBondContact O-CA 3.45Å; Y537-N541 PolarHBondContact O-N 3.4Å; V539-N541 VanDerWaalsContact C-N 3.29Å; V539-N541 PolarHBondContact O-N 3.05Å; N541-R561 PolarHBondContact OD1-NH1 3.32Å |
| 542 | T | 66.3 | Low | 70.2 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | trans | -87.5 | 127 | 176.9 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | Y537 T540 I552 V554 | Y537-T542 VanDerWaalsContact CD1-OG1 3.24Å; Y537-T542 WeakPolarHBondContact CD1-OG1 3.45Å; Y537-T542 PolarHBondContact O-N 2.86Å; T540-T542 PolarHBondContact O-N 3.44Å; T540-T542 PolarHBondContact OG1-OG1 2.9Å; T542-I552 HydrophobicContact CG2-CG2 4.28Å; T542-V554 HydrophobicContact CG2-CG2 4.28Å | ||
| 543 | V | 56.9 | Low | 69 | Low | 126 Ų | 126 | 57.4 Ų | 57.4 | 76% | 0.764 | 29% | 0.29 | S | S | * | . | trans | -88.1 | -15.1 | -177.9 | -153.5 | 0 | 0 | 0 | 0 | 111.8 | H545 | V543-H545 PolarHBondContact O-N 2.9Å; V543-H545 VanDerWaalsContact O-N 3.14Å | ||
| 544 | S | 54.6 | Low | 68.1 | Low | 43 Ų | 43 | 57.7 Ų | 57.7 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | trans | -79 | 93.8 | -179.9 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | L546 | S544-L546 PolarHBondContact O-N 3.48Š| ||
| 545 | H | 53.4 | Low | 67 | Low | 127 Ų | 127 | 61.2 Ų | 61.2 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 12.5 | 168.4 | -66.8 | -76.8 | 0 | 0 | 0 | 114.2 | Y537 V543 | Y537-H545 AromaticContact CD2-ND1 3.62Å; Y537-H545 HydrophobicContact CE2-CB 4.41Å; Y537-H545 AromaticContact CE2-ND1 3.72Å; V543-H545 PolarHBondContact O-N 2.9Å; V543-H545 VanDerWaalsContact O-N 3.14Å |
| 546 | L | 53.1 | Low | 66.1 | Low | 84 Ų | 84 | 70 Ų | 70 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -19.3 | -166.6 | -60.6 | 174.7 | 0 | 0 | 0 | 113.1 | Q112 S544 | Q112-L546 VanDerWaalsContact NE2-CB 3.31Å; Q112-L546 PolarHBondContact NE2-O 3.34Å; S544-L546 PolarHBondContact O-N 3.48Å |
| 547 | E | 56.9 | Low | 65.6 | Low | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -83.8 | 140.9 | 176.2 | -76.1 | 178.7 | -169.1 | 0 | 0 | 111.4 | Y537 P549 I552 | Y537-E547 PolarHBondContact OH-O 2.9Å; E547-P549 VanDerWaalsContact O-CD 3.24Å; E547-P549 WeakPolarHBondContact O-CD 3.47Å; E547-P549 VanDerWaalsContact O-N 3.16Å; E547-I552 HydrophobicContact CB-CG1 4.41Å |
| 548 | D | 60 | Low | 65.4 | Low | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | trans | -61.2 | 118.6 | 173.3 | -169.1 | -22.9 | 0 | 0 | 0 | 109.1 | L550 K551 R608 | D548-L550 PolarHBondContact O-N 3.32Å; D548-L550 PolarHBondContact OD1-N 2.93Å; D548-K551 HydrophobicContact CB-CG 4.46Å; D548-K551 PolarHBondContact O-N 3.42Å; D548-R608 IonicContact OD1-NH2 3.71Å; D548-R608 PolarHBondContact OD1-NH2 2.91Å; D548-R608 IonicContact OD2-CZ 2.78Å; D548-R608 IonicContact OD2-NH2 3.67Å; D548-R608 PolarHBondContact OD2-NH2 2.84Å | ||
| 549 | P | 60.5 | Low | 65.2 | Low | 7 Ų | 7 | 78.6 Ų | 78.6 | 5% | 0.045 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.7 | -175.7 | 16.3 | -29.1 | 0 | 0 | 0 | 114.9 | I533 I536 E547 I552 L612 | I533-P549 HydrophobicContact CB-CG 4.36Å; I533-P549 HydrophobicContact CD1-CG 4.12Å; I533-P549 HydrophobicContact CG1-CG 3.77Å; I533-P549 HydrophobicContact CG2-CB 4.39Å; I533-P549 HydrophobicContact CG2-CG 3.95Å; I536-P549 HydrophobicContact CD1-CB 4.01Å; I536-P549 HydrophobicContact CG2-CB 4.3Å; E547-P549 VanDerWaalsContact O-CD 3.24Å; E547-P549 WeakPolarHBondContact O-CD 3.47Å; E547-P549 VanDerWaalsContact O-N 3.16Å; P549-I552 HydrophobicContact CB-CD1 4.29Å; P549-L612 HydrophobicContact CB-CD2 3.96Å; P549-L612 HydrophobicContact CG-CD2 3.73Å |
| 550 | L | 64.4 | Low | 65 | Low | 45 Ų | 45 | 83.3 Ų | 83.3 | 24% | 0.236 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -24 | 175.4 | -63.2 | 174.1 | 0 | 0 | 0 | 113.2 | D548 Q611 L612 T615 M647 | D548-L550 PolarHBondContact O-N 3.32Å; D548-L550 PolarHBondContact OD1-N 2.93Å; L550-Q611 HydrophobicContact CD2-CB 4.06Å; L550-L612 HydrophobicContact CD2-CD2 4.12Å; L550-L612 HydrophobicContact CG-CD2 4.35Å; L550-T615 WeakPolarHBondContact CD2-OG1 3.25Å; L550-M647 HydrophobicContact CD2-SD 4.22Å |
| 551 | K | 64.6 | Low | 65.4 | Low | 174 Ų | 174 | 85.1 Ų | 85.1 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.5 | -179.1 | -69 | -171.7 | 177.3 | -176.1 | 0 | 113.9 | D548 Q553 | D548-K551 HydrophobicContact CB-CG 4.46Å; D548-K551 PolarHBondContact O-N 3.42Å; K551-Q553 PolarHBondContact O-N 2.62Å |
| 552 | I | 67.5 | Low | 66 | Low | 4 Ų | 4 | 80.6 Ų | 80.6 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | trans | -63.6 | 128.2 | 179.3 | -63 | 175.3 | 0 | 0 | 0 | 109.9 | I536 Y537 T540 T542 E547 P549 V554 F619 | I536-I552 HydrophobicContact CG2-CD1 4.24Å; Y537-I552 HydrophobicContact CD1-CD1 3.81Å; Y537-I552 HydrophobicContact CE1-CD1 3.51Å; T540-I552 HydrophobicContact CG2-CG2 4.27Å; T542-I552 HydrophobicContact CG2-CG2 4.28Å; E547-I552 HydrophobicContact CB-CG1 4.41Å; P549-I552 HydrophobicContact CB-CD1 4.29Å; I552-V554 HydrophobicContact CG2-CG2 3.38Å; I552-F619 HydrophobicContact CB-CZ 4.46Å; I552-F619 HydrophobicContact CG2-CZ 4.39Å; I552-F619 WeakPolarHBondContact O-CZ 3.5Å | ||
| 553 | Q | 60.5 | Low | 66.8 | Low | 188 Ų | 188 | 80.1 Ų | 80.1 | 88% | 0.879 | 40% | 0.399 | S | S | * | . | trans | -112.4 | 118.5 | 167.5 | -66.8 | -172.2 | 2.2 | 0 | 0 | 108.8 | K551 | K551-Q553 PolarHBondContact O-N 2.62Š| ||
| 554 | V | 62.2 | Low | 68 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | trans | -114.8 | 128 | -176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | T540 T542 I552 P557 F619 Q622 | T540-V554 VanDerWaalsContact CB-CG2 3.4Å; T540-V554 HydrophobicContact CG2-CB 4.29Å; T540-V554 HydrophobicContact CG2-CG2 3.51Å; T542-V554 HydrophobicContact CG2-CG2 4.28Å; I552-V554 HydrophobicContact CG2-CG2 3.38Å; V554-P557 HydrophobicContact CG1-CB 4.29Å; V554-F619 HydrophobicContact CB-CE1 4.23Å; V554-F619 HydrophobicContact CG2-CE1 4.47Å; V554-Q622 PolarHBondContact O-NE2 3.5Å | ||
| 555 | T | 58.5 | Low | 69.5 | Low | 136 Ų | 136 | 72.6 Ų | 72.6 | 83% | 0.834 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -86.2 | -34.7 | -179.2 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 556 | K | 67.4 | Low | 71 | Confident | 185 Ų | 185 | 68.4 Ų | 68.4 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -143.6 | 90.2 | -179.8 | -71.3 | -176.2 | 179.9 | 173.9 | 0 | 113.2 | ||
| 557 | P | 73.5 | Confident | 72.2 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | trans | -71.4 | 157 | 174.9 | 28.7 | -32.9 | 0 | 0 | 0 | 112.8 | V539 V554 R559 Q622 | V539-P557 HydrophobicContact CG1-CB 4.26Å; V539-P557 WeakPolarHBondContact O-CB 3.45Å; V554-P557 HydrophobicContact CG1-CB 4.29Å; P557-R559 PolarHBondContact O-N 2.93Å; P557-Q622 HydrophobicContact CG-CB 4.02Å; P557-Q622 HydrophobicContact CG-CG 4.16Å | ||
| 558 | S | 77.2 | Confident | 73.5 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | trans | -77.3 | 112.2 | -178.2 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | V539 N560 R561 Q562 | V539-S558 PolarHBondContact O-N 3.39Å; S558-N560 VanDerWaalsContact C-N 3.26Å; S558-N560 PolarHBondContact O-N 3.08Å; S558-R561 PolarHBondContact O-N 3.13Å; S558-R561 VanDerWaalsContact O-N 3.14Å; S558-Q562 WeakPolarHBondContact O-CG 3.49Å; S558-Q562 PolarHBondContact O-N 3.36Å | ||
| 559 | R | 79.7 | Confident | 74.5 | Confident | 156 Ų | 156 | 66.4 Ų | 66.4 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.4 | -36.5 | 178.7 | -62.3 | -178.4 | 95.2 | -178.2 | 12.5 | 113.1 | P557 K563 | P557-R559 PolarHBondContact O-N 2.93Å; R559-K563 VanDerWaalsContact O-CB 3.31Å; R559-K563 WeakPolarHBondContact O-CB 3.34Å; R559-K563 PolarHBondContact O-N 3.43Å |
| 560 | N | 77.9 | Confident | 75.8 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 179.4 | -73.9 | -20 | 0 | 0 | 0 | 111.4 | S558 K563 L564 | S558-N560 VanDerWaalsContact C-N 3.26Å; S558-N560 PolarHBondContact O-N 3.08Å; N560-K563 WeakPolarHBondContact O-CB 3.38Å; N560-K563 PolarHBondContact O-N 3.28Å; N560-L564 WeakPolarHBondContact O-CG 3.49Å; N560-L564 PolarHBondContact O-N 3.16Å |
| 561 | R | 85.4 | Confident | 76.9 | Confident | 43 Ų | 43 | 64 Ų | 64 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.9 | -42 | 176.5 | -68 | -173.1 | 177.3 | 165.3 | -2.3 | 112.6 | D496 F538 N541 S558 K563 L564 L565 | D496-R561 IonicContact OD1-CZ 2.87Å; D496-R561 IonicContact OD1-NE 3.94Å; D496-R561 IonicContact OD1-NH2 3.43Å; D496-R561 PolarHBondContact OD1-NH2 3.45Å; D496-R561 WeakPolarHBondContact OD2-CG 3.43Å; D496-R561 IonicContact OD2-CZ 2.95Å; D496-R561 IonicContact OD2-NE 3.46Å; D496-R561 PolarHBondContact OD2-NE 2.77Å; D496-R561 IonicContact OD2-NH2 3.51Å; F538-R561 HydrophobicContact CD1-CB 4.08Å; F538-R561 HydrophobicContact CD1-CG 4.47Å; F538-R561 HydrophobicContact CD2-CG 4.44Å; F538-R561 HydrophobicContact CE1-CB 3.57Å; F538-R561 HydrophobicContact CE1-CG 3.91Å; F538-R561 HydrophobicContact CE2-CB 4.45Å; F538-R561 HydrophobicContact CE2-CG 3.88Å; F538-R561 HydrophobicContact CZ-CB 3.79Å; F538-R561 HydrophobicContact CZ-CG 3.58Å; F538-R561 WeakPolarHBondContact O-CD 3.42Å; F538-R561 PolarHBondContact O-NH1 3.16Å; N541-R561 PolarHBondContact OD1-NH1 3.32Å; S558-R561 PolarHBondContact O-N 3.13Å; S558-R561 VanDerWaalsContact O-N 3.14Å; R561-K563 PolarHBondContact O-N 3.04Å; R561-L564 PolarHBondContact O-N 3.2Å; R561-L564 VanDerWaalsContact O-N 3.12Å; R561-L565 PolarHBondContact O-N 3.5Å |
| 562 | Q | 86 | Confident | 77.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.8 | -39.5 | 170.9 | -70.2 | 177.8 | -33.4 | 0 | 0 | 111.7 | V539 S558 F619 S620 Q622 Y624 N627 | V539-Q562 HydrophobicContact CG1-CG 3.88Å; S558-Q562 WeakPolarHBondContact O-CG 3.49Å; S558-Q562 PolarHBondContact O-N 3.36Å; Q562-F619 PolarHBondContact NE2-O 2.91Å; Q562-S620 PolarHBondContact NE2-O 2.87Å; Q562-Q622 PolarHBondContact NE2-O 2.93Å; Q562-Q622 VanDerWaalsContact NE2-O 3.11Å; Q562-Y624 HydrophobicContact CB-CD1 3.84Å; Q562-Y624 HydrophobicContact CB-CE1 4.24Å; Q562-N627 PolarHBondContact O-ND2 3.48Å |
| 563 | K | 83.6 | Confident | 78.7 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 10% | 0.104 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 176 | -179.5 | -177.4 | -178.6 | 172.8 | 0 | 112.5 | T318 R559 N560 R561 R566 E567 Y624 | T318-K563 PolarHBondContact O-NZ 3.39Å; R559-K563 VanDerWaalsContact O-CB 3.31Å; R559-K563 WeakPolarHBondContact O-CB 3.34Å; R559-K563 PolarHBondContact O-N 3.43Å; N560-K563 WeakPolarHBondContact O-CB 3.38Å; N560-K563 PolarHBondContact O-N 3.28Å; R561-K563 PolarHBondContact O-N 3.04Å; K563-R566 PolarHBondContact O-N 3.1Å; K563-E567 WeakPolarHBondContact CE-OE1 3.4Å; K563-E567 HydrophobicContact CG-CG 4.3Å; K563-E567 PolarHBondContact O-N 3.27Å; K563-Y624 HydrophobicContact CB-CE1 3.96Å |
| 564 | L | 81.7 | Confident | 80 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 178.7 | -74.3 | 171.7 | 0 | 0 | 0 | 112.2 | D496 L497 F538 N560 R561 R566 E567 Q568 | D496-L564 HydrophobicContact CB-CD1 3.68Å; L497-L564 HydrophobicContact CB-CD2 4.3Å; L497-L564 HydrophobicContact CD1-CD2 3.69Å; F538-L564 HydrophobicContact CZ-CD1 4.3Å; N560-L564 WeakPolarHBondContact O-CG 3.49Å; N560-L564 PolarHBondContact O-N 3.16Å; R561-L564 PolarHBondContact O-N 3.2Å; R561-L564 VanDerWaalsContact O-N 3.12Å; L564-R566 PolarHBondContact O-N 3.03Å; L564-E567 PolarHBondContact O-N 3.37Å; L564-Q568 WeakPolarHBondContact O-CB 3.29Å; L564-Q568 PolarHBondContact O-N 3.14Å |
| 565 | L | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58 | -36.5 | 177.2 | -65 | -173.7 | 0 | 0 | 0 | 113 | L535 F538 V539 R561 V570 L571 L616 | L535-L565 HydrophobicContact CD2-CD2 3.78Å; F538-L565 HydrophobicContact CD1-CD2 4.23Å; F538-L565 HydrophobicContact CE1-CD2 4.1Å; F538-L565 HydrophobicContact CE1-CG 4.4Å; V539-L565 HydrophobicContact CG2-CD1 3.26Å; V539-L565 HydrophobicContact CG2-CG 4.26Å; R561-L565 PolarHBondContact O-N 3.5Å; L565-V570 HydrophobicContact CB-CB 4.35Å; L565-V570 HydrophobicContact CD2-CB 3.99Å; L565-V570 HydrophobicContact CD2-CG1 3.94Å; L565-V570 HydrophobicContact CD2-CG2 4.1Å; L565-V570 WeakPolarHBondContact O-CB 3.38Å; L565-V570 PolarHBondContact O-N 3.22Å; L565-L571 HydrophobicContact CB-CD2 4.14Å; L565-L571 HydrophobicContact CB-CG 4.01Å; L565-L571 HydrophobicContact CD1-CD2 4.46Å; L565-L571 PolarHBondContact O-N 2.64Å; L565-L571 VanDerWaalsContact O-N 3.08Å; L565-L616 HydrophobicContact CD1-CD1 4.01Å |
| 566 | R | 85.3 | Confident | 82.3 | Confident | 40 Ų | 40 | 44 Ų | 44 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.8 | -49.7 | 175.8 | -170.6 | -168.4 | 65.4 | -119 | -4.3 | 111.7 | K563 L564 Q568 K569 L571 Y624 N627 Y630 | K563-R566 PolarHBondContact O-N 3.1Å; L564-R566 PolarHBondContact O-N 3.03Å; R566-Q568 PolarHBondContact O-N 3.4Å; R566-K569 PolarHBondContact O-N 3.47Å; R566-L571 HydrophobicContact CB-CD1 3.92Å; R566-L571 HydrophobicContact CG-CD1 4.39Å; R566-Y624 PolarHBondContact NH1-OH 2.85Å; R566-N627 WeakPolarHBondContact CD-OD1 3.36Å; R566-N627 PolarHBondContact NH1-OD1 3.01Å; R566-Y630 HydrophobicContact CG-CD1 4.15Å; R566-Y630 HydrophobicContact CG-CD2 4.11Å; R566-Y630 HydrophobicContact CG-CE1 4.39Å; R566-Y630 HydrophobicContact CG-CE2 4.32Å; R566-Y630 HydrophobicContact CG-CG 4.01Å |
| 567 | E | 79.4 | Confident | 83 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | -175 | -72.9 | -174.2 | -176.2 | 0 | 0 | 113.2 | S319 S320 K563 L564 K569 | S319-E567 PolarHBondContact OG-OE2 2.97Å; S320-E567 PolarHBondContact N-OE2 3.33Å; S320-E567 PolarHBondContact OG-OE2 2.97Å; K563-E567 WeakPolarHBondContact CE-OE1 3.4Å; K563-E567 HydrophobicContact CG-CG 4.3Å; K563-E567 PolarHBondContact O-N 3.27Å; L564-E567 PolarHBondContact O-N 3.37Å; E567-K569 VanDerWaalsContact C-N 3.26Å; E567-K569 PolarHBondContact O-N 3.22Å |
| 568 | Q | 82.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 14.3 | 176.8 | -56 | -45.2 | -51.7 | 0 | 0 | 113.4 | S320 L497 A500 N501 C504 L564 R566 V570 | S320-Q568 PolarHBondContact OG-NE2 3.39Å; L497-Q568 HydrophobicContact CD1-CG 3.61Å; L497-Q568 VanDerWaalsContact CD1-NE2 3.33Å; A500-Q568 HydrophobicContact CB-CB 4.25Å; A500-Q568 HydrophobicContact CB-CG 4.19Å; N501-Q568 PolarHBondContact OD1-OE1 3.1Å; C504-Q568 PolarHBondContact SG-O 3.08Å; L564-Q568 WeakPolarHBondContact O-CB 3.29Å; L564-Q568 PolarHBondContact O-N 3.14Å; R566-Q568 PolarHBondContact O-N 3.4Å; Q568-V570 HydrophobicContact CB-CG2 4.5Å; Q568-V570 PolarHBondContact O-N 2.76Å; Q568-V570 VanDerWaalsContact O-N 3.12Å |
| 569 | K | 82.8 | Confident | 83.4 | Confident | 142 Ų | 142 | 34.6 Ų | 34.6 | 62% | 0.617 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.2 | 176.2 | -56.7 | -177.2 | 178.4 | -178.6 | 0 | 115.5 | R566 E567 L571 A572 Q573 | R566-K569 PolarHBondContact O-N 3.47Å; E567-K569 VanDerWaalsContact C-N 3.26Å; E567-K569 PolarHBondContact O-N 3.22Å; K569-L571 VanDerWaalsContact C-N 3.31Å; K569-L571 PolarHBondContact O-N 3.18Å; K569-A572 HydrophobicContact CB-CB 4.14Å; K569-A572 WeakPolarHBondContact O-CB 3.45Å; K569-A572 PolarHBondContact O-N 2.94Å; K569-A572 VanDerWaalsContact O-N 3.15Å; K569-Q573 WeakPolarHBondContact O-CG 3.33Å; K569-Q573 PolarHBondContact O-N 3.31Å |
| 570 | V | 87.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | A500 C504 L507 L535 L565 Q568 A572 Q573 I574 | A500-V570 HydrophobicContact CB-CG2 4.25Å; A500-V570 VanDerWaalsContact O-CG2 3.27Å; A500-V570 WeakPolarHBondContact O-CG2 3.29Å; C504-V570 HydrophobicContact CB-CG2 3.99Å; L507-V570 HydrophobicContact CD1-CG1 3.92Å; L535-V570 HydrophobicContact CD1-CG1 4.24Å; L535-V570 HydrophobicContact CD2-CG1 4.3Å; L565-V570 HydrophobicContact CB-CB 4.35Å; L565-V570 HydrophobicContact CD2-CB 3.99Å; L565-V570 HydrophobicContact CD2-CG1 3.94Å; L565-V570 HydrophobicContact CD2-CG2 4.1Å; L565-V570 WeakPolarHBondContact O-CB 3.38Å; L565-V570 PolarHBondContact O-N 3.22Å; Q568-V570 HydrophobicContact CB-CG2 4.5Å; Q568-V570 PolarHBondContact O-N 2.76Å; Q568-V570 VanDerWaalsContact O-N 3.12Å; V570-A572 VanDerWaalsContact C-N 3.3Å; V570-A572 PolarHBondContact O-N 3.34Å; V570-Q573 PolarHBondContact O-N 3.46Å; V570-I574 HydrophobicContact CG1-CD1 4.03Å; V570-I574 WeakPolarHBondContact O-CG1 3.35Å; V570-I574 PolarHBondContact O-N 3.39Å |
| 571 | L | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.1 | -62.7 | -176.6 | 0 | 0 | 0 | 112.3 | L565 R566 K569 I574 F575 L617 Y630 | L565-L571 HydrophobicContact CB-CD2 4.14Å; L565-L571 HydrophobicContact CB-CG 4.01Å; L565-L571 HydrophobicContact CD1-CD2 4.46Å; L565-L571 PolarHBondContact O-N 2.64Å; L565-L571 VanDerWaalsContact O-N 3.08Å; R566-L571 HydrophobicContact CB-CD1 3.92Å; R566-L571 HydrophobicContact CG-CD1 4.39Å; K569-L571 VanDerWaalsContact C-N 3.31Å; K569-L571 PolarHBondContact O-N 3.18Å; L571-I574 HydrophobicContact CD2-CD1 4.31Å; L571-I574 PolarHBondContact O-N 3.19Å; L571-F575 WeakPolarHBondContact O-CD2 3.1Å; L571-F575 PolarHBondContact O-N 3.02Å; L571-L617 HydrophobicContact CD2-CD2 4.11Å; L571-Y630 HydrophobicContact CB-CE1 3.81Å; L571-Y630 HydrophobicContact CD1-CD1 4.07Å; L571-Y630 HydrophobicContact CD1-CE1 4.18Å |
| 572 | A | 84.8 | Confident | 82.3 | Confident | 25 Ų | 25 | 23 Ų | 23 | 21% | 0.207 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K569 V570 I574 F575 D576 | K569-A572 HydrophobicContact CB-CB 4.14Å; K569-A572 WeakPolarHBondContact O-CB 3.45Å; K569-A572 PolarHBondContact O-N 2.94Å; K569-A572 VanDerWaalsContact O-N 3.15Å; V570-A572 VanDerWaalsContact C-N 3.3Å; V570-A572 PolarHBondContact O-N 3.34Å; A572-I574 VanDerWaalsContact C-N 3.32Å; A572-I574 PolarHBondContact O-N 3.39Å; A572-F575 PolarHBondContact O-N 3.13Å; A572-D576 PolarHBondContact O-N 3.45Å |
| 573 | Q | 86 | Confident | 81.6 | Confident | 25 Ų | 25 | 27.2 Ų | 27.2 | 12% | 0.117 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -31.7 | 176.8 | -60.1 | -62.6 | 41.3 | 0 | 0 | 113.2 | L507 N508 K569 V570 D576 L577 | L507-Q573 HydrophobicContact CB-CB 4.16Å; N508-Q573 VanDerWaalsContact CB-NE2 3.28Å; N508-Q573 PolarHBondContact OD1-NE2 2.95Å; K569-Q573 WeakPolarHBondContact O-CG 3.33Å; K569-Q573 PolarHBondContact O-N 3.31Å; V570-Q573 PolarHBondContact O-N 3.46Å; Q573-D576 PolarHBondContact O-N 3.38Å; Q573-L577 VanDerWaalsContact O-CB 3.27Å; Q573-L577 WeakPolarHBondContact O-CB 3.32Å; Q573-L577 WeakPolarHBondContact O-CG 3.39Å; Q573-L577 PolarHBondContact O-N 3.26Å |
| 574 | I | 87.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 171.9 | -69.6 | 163.8 | 0 | 0 | 0 | 110.5 | L507 V570 L571 A572 L577 L578 M613 L616 L617 | L507-I574 HydrophobicContact CD1-CG1 4.43Å; V570-I574 HydrophobicContact CG1-CD1 4.03Å; V570-I574 WeakPolarHBondContact O-CG1 3.35Å; V570-I574 PolarHBondContact O-N 3.39Å; L571-I574 HydrophobicContact CD2-CD1 4.31Å; L571-I574 PolarHBondContact O-N 3.19Å; A572-I574 VanDerWaalsContact C-N 3.32Å; A572-I574 PolarHBondContact O-N 3.39Å; I574-L577 PolarHBondContact O-N 3.2Å; I574-L578 HydrophobicContact CG2-CD1 4.02Å; I574-L578 HydrophobicContact CG2-CG 4.43Å; I574-L578 WeakPolarHBondContact O-CB 3.47Å; I574-L578 VanDerWaalsContact O-CG 3.32Å; I574-L578 WeakPolarHBondContact O-CG 3.45Å; I574-L578 PolarHBondContact O-N 3.03Å; I574-M613 HydrophobicContact CG2-CB 4.01Å; I574-M613 HydrophobicContact CG2-CG 4.13Å; I574-M613 HydrophobicContact CG2-SD 4.21Å; I574-L616 HydrophobicContact CD1-CD2 3.39Å; I574-L616 HydrophobicContact CD1-CG 4.18Å; I574-L617 HydrophobicContact CG2-CD2 4.46Å; I574-L617 HydrophobicContact CG2-CG 4.38Å |
| 575 | F | 84.5 | Confident | 79.2 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.7 | -77.5 | -66.5 | 0 | 0 | 0 | 111.9 | L571 A572 L577 L578 Q579 L617 Y630 I631 R634 I638 | L571-F575 WeakPolarHBondContact O-CD2 3.1Å; L571-F575 PolarHBondContact O-N 3.02Å; A572-F575 PolarHBondContact O-N 3.13Å; F575-L577 VanDerWaalsContact C-N 3.3Å; F575-L577 PolarHBondContact O-N 3.47Å; F575-L578 PolarHBondContact O-N 2.92Å; F575-Q579 WeakPolarHBondContact O-CG 3.45Å; F575-Q579 PolarHBondContact O-N 2.92Å; F575-L617 HydrophobicContact CE1-CD1 4.16Å; F575-L617 HydrophobicContact CE2-CD2 4.09Å; F575-L617 HydrophobicContact CZ-CD1 4.27Å; F575-L617 HydrophobicContact CZ-CD2 3.95Å; F575-Y630 HydrophobicContact CE2-CE1 4.15Å; F575-I631 HydrophobicContact CZ-CG1 4.35Å; F575-I631 HydrophobicContact CZ-CG2 4.25Å; F575-R634 HydrophobicContact CD1-CB 4.36Å; F575-R634 HydrophobicContact CE1-CB 3.97Å; F575-R634 HydrophobicContact CE2-CB 4.31Å; F575-R634 HydrophobicContact CE2-CG 4.46Å; F575-R634 HydrophobicContact CZ-CB 3.95Å; F575-I638 HydrophobicContact CE1-CD1 4.06Å; F575-I638 HydrophobicContact CE1-CG1 3.93Å; F575-I638 HydrophobicContact CZ-CD1 4.49Å |
| 576 | D | 83.3 | Confident | 77.7 | Confident | 48 Ų | 48 | 43.9 Ų | 43.9 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -37.7 | 176.2 | -80.9 | 16.6 | 0 | 0 | 0 | 111.8 | L511 R515 A572 Q573 Q579 A580 | L511-D576 VanDerWaalsContact CD1-C 3.43Å; L511-D576 HydrophobicContact CD1-CB 3.65Å; L511-D576 WeakPolarHBondContact CD1-O 3.37Å; L511-D576 HydrophobicContact CD2-CB 4.16Å; R515-D576 IonicContact NH2-OD2 3.74Å; R515-D576 PolarHBondContact NH2-OD2 3.27Å; A572-D576 PolarHBondContact O-N 3.45Å; Q573-D576 PolarHBondContact O-N 3.38Å; D576-Q579 PolarHBondContact O-N 3.02Å; D576-A580 VanDerWaalsContact O-CB 3.25Å; D576-A580 WeakPolarHBondContact O-CB 3.43Å; D576-A580 PolarHBondContact O-N 2.82Å |
| 577 | L | 83.2 | Confident | 76.3 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.8 | -32.2 | 175.7 | -87.3 | 162.7 | 0 | 0 | 0 | 113.6 | L507 F510 L511 I514 Q573 I574 F575 Q579 P581 M613 | L507-L577 HydrophobicContact CB-CD1 3.89Å; L507-L577 HydrophobicContact CD2-CD1 3.6Å; L507-L577 HydrophobicContact CG-CD1 4.28Å; F510-L577 HydrophobicContact CD1-CD2 3.6Å; F510-L577 HydrophobicContact CE1-CD2 4.06Å; L511-L577 HydrophobicContact CB-CD2 4.22Å; L511-L577 HydrophobicContact CB-CG 4.3Å; L511-L577 HydrophobicContact CD1-CB 4.37Å; L511-L577 HydrophobicContact CD1-CD2 4.04Å; L511-L577 HydrophobicContact CD1-CG 3.76Å; I514-L577 HydrophobicContact CD1-CD2 3.84Å; Q573-L577 VanDerWaalsContact O-CB 3.27Å; Q573-L577 WeakPolarHBondContact O-CB 3.32Å; Q573-L577 WeakPolarHBondContact O-CG 3.39Å; Q573-L577 PolarHBondContact O-N 3.26Å; I574-L577 PolarHBondContact O-N 3.2Å; F575-L577 VanDerWaalsContact C-N 3.3Å; F575-L577 PolarHBondContact O-N 3.47Å; L577-Q579 VanDerWaalsContact C-N 3.25Å; L577-P581 WeakPolarHBondContact O-CD 3.41Å; L577-P581 WeakPolarHBondContact O-CG 3.49Å; L577-M613 HydrophobicContact CB-SD 4.08Å |
| 578 | L | 80.9 | Confident | 75.2 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 171.2 | -75 | 168.7 | 0 | 0 | 0 | 110.4 | I574 F575 F582 F610 M613 Y614 L617 Q641 | I574-L578 HydrophobicContact CG2-CD1 4.02Å; I574-L578 HydrophobicContact CG2-CG 4.43Å; I574-L578 WeakPolarHBondContact O-CB 3.47Å; I574-L578 VanDerWaalsContact O-CG 3.32Å; I574-L578 WeakPolarHBondContact O-CG 3.45Å; I574-L578 PolarHBondContact O-N 3.03Å; F575-L578 PolarHBondContact O-N 2.92Å; L578-F582 WeakPolarHBondContact O-CD2 3.47Å; L578-F582 WeakPolarHBondContact O-CE2 3.49Å; L578-F610 HydrophobicContact CD2-CD1 3.87Å; L578-M613 HydrophobicContact CD2-CB 4.08Å; L578-M613 HydrophobicContact CD2-CE 4.44Å; L578-M613 HydrophobicContact CD2-SD 3.96Å; L578-M613 HydrophobicContact CG-CB 4.41Å; L578-M613 HydrophobicContact CG-SD 3.93Å; L578-Y614 HydrophobicContact CD1-CE1 4.37Å; L578-Y614 HydrophobicContact CD2-CD2 4.24Å; L578-Y614 HydrophobicContact CD2-CE2 3.76Å; L578-L617 HydrophobicContact CD1-CD1 3.96Å; L578-Q641 PolarHBondContact O-NE2 3.31Å |
| 579 | Q | 78.9 | Confident | 73.8 | Confident | 37 Ų | 37 | 62 Ų | 62 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -86.1 | -46.7 | -179.4 | -71.4 | -175.3 | 7.7 | 0 | 0 | 114.5 | F575 D576 L577 P581 F582 Q583 D637 | F575-Q579 WeakPolarHBondContact O-CG 3.45Å; F575-Q579 PolarHBondContact O-N 2.92Å; D576-Q579 PolarHBondContact O-N 3.02Å; L577-Q579 VanDerWaalsContact C-N 3.25Å; Q579-P581 VanDerWaalsContact C-N 3.33Å; Q579-F582 PolarHBondContact O-N 3.43Å; Q579-Q583 PolarHBondContact O-N 3.17Å; Q579-Q583 VanDerWaalsContact OE1-NE2 3.11Å; Q579-D637 PolarHBondContact NE2-OD1 3.38Å; Q579-D637 PolarHBondContact NE2-OD2 3.21Å |
| 580 | A | 73.2 | Confident | 72.7 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -53.7 | -37.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115 | L511 I514 D576 F582 Q583 | L511-A580 HydrophobicContact CD1-CB 4.03Å; I514-A580 HydrophobicContact CG2-CB 4.27Å; D576-A580 VanDerWaalsContact O-CB 3.25Å; D576-A580 WeakPolarHBondContact O-CB 3.43Å; D576-A580 PolarHBondContact O-N 2.82Å; A580-F582 VanDerWaalsContact C-N 3.26Å; A580-F582 PolarHBondContact O-N 3.48Å; A580-Q583 PolarHBondContact O-N 2.68Å |
| 581 | P | 70.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -66.4 | -24 | 176.2 | -22.7 | 35.1 | 0 | 0 | 0 | 114.2 | L577 Q579 L591 F592 F610 | L577-P581 WeakPolarHBondContact O-CD 3.41Å; L577-P581 WeakPolarHBondContact O-CG 3.49Å; Q579-P581 VanDerWaalsContact C-N 3.33Å; P581-L591 HydrophobicContact CB-CB 4.34Å; P581-L591 HydrophobicContact CB-CD1 4.37Å; P581-L591 WeakPolarHBondContact O-CB 3.41Å; P581-L591 PolarHBondContact O-N 3.29Å; P581-F592 HydrophobicContact CB-CD2 3.82Å; P581-F592 HydrophobicContact CB-CE2 4.1Å; P581-F592 PolarHBondContact O-N 3.44Å; P581-F610 HydrophobicContact CB-CZ 4.11Å; P581-F610 HydrophobicContact CG-CE1 4.1Å; P581-F610 HydrophobicContact CG-CZ 3.89Å |
| 582 | F | 74 | Confident | 70.6 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -99.1 | -6 | -178.7 | -59.2 | -94 | 0 | 0 | 0 | 112.6 | L578 Q579 A580 F592 L598 F610 Y644 | L578-F582 WeakPolarHBondContact O-CD2 3.47Å; L578-F582 WeakPolarHBondContact O-CE2 3.49Å; Q579-F582 PolarHBondContact O-N 3.43Å; A580-F582 VanDerWaalsContact C-N 3.26Å; A580-F582 PolarHBondContact O-N 3.48Å; F582-F592 HydrophobicContact CD1-CB 4Å; F582-F592 WeakPolarHBondContact CD1-O 3.4Å; F582-F592 HydrophobicContact CE1-CB 3.7Å; F582-F592 HydrophobicContact CZ-CB 4.25Å; F582-L598 HydrophobicContact CZ-CD1 4.32Å; F582-F610 HydrophobicContact CE2-CE1 4.43Å; F582-F610 HydrophobicContact CE2-CE2 4.38Å; F582-F610 HydrophobicContact CE2-CZ 4.06Å; F582-F610 HydrophobicContact CZ-CE2 4.4Å; F582-Y644 HydrophobicContact CE1-CD1 4.36Å; F582-Y644 AromaticContact CE1-CE1 3.94Å; F582-Y644 HydrophobicContact CE1-CE1 3.94Å |
| 583 | Q | 71.4 | Confident | 69.3 | Low | 88 Ų | 88 | 63.6 Ų | 63.6 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -94.5 | 151.6 | 176.9 | -69.9 | 179.3 | 1.2 | 0 | 0 | 111.6 | Q579 A580 | Q579-Q583 PolarHBondContact O-N 3.17Å; Q579-Q583 VanDerWaalsContact OE1-NE2 3.11Å; A580-Q583 PolarHBondContact O-N 2.68Å |
| 584 | S | 57.4 | Low | 68.1 | Low | 103 Ų | 103 | 67 Ų | 67 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | trans | -70.5 | 138.9 | 176 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 585 | R | 58.4 | Low | 66.6 | Low | 41 Ų | 41 | 69.9 Ų | 69.9 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 98.9 | -170.7 | -66.5 | 175.2 | -70.7 | 172.5 | 3.6 | 111.1 | I514 D587 Q588 R589 | I514-R585 WeakPolarHBondContact O-CD 3.47Å; R585-D587 VanDerWaalsContact C-N 3.25Å; R585-D587 CarbonylContact O-C 3.6Å; R585-D587 PolarHBondContact O-N 3.42Å; R585-Q588 HydrophobicContact CB-CB 4.47Å; R585-Q588 PolarHBondContact N-O 2.9Å; R585-Q588 VanDerWaalsContact N-O 3.11Å; R585-Q588 PolarHBondContact O-N 3.31Å; R585-R589 PolarHBondContact NH2-O 2.73Å; R585-R589 VanDerWaalsContact NH2-O 3.09Å |
| 586 | R | 53.6 | Low | 65.4 | Low | 240 Ų | 240 | 72.7 Ų | 72.7 | 91% | 0.906 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22 | 54 | 171.1 | -64.1 | -170.6 | 179.8 | -175.7 | 0.9 | 116 | ||
| 587 | D | 54.9 | Low | 64.5 | Low | 176 Ų | 176 | 72.3 Ų | 72.3 | 94% | 0.941 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | 3.5 | -178.7 | -51 | -29.4 | 0 | 0 | 0 | 118.4 | R585 | R585-D587 VanDerWaalsContact C-N 3.25Å; R585-D587 CarbonylContact O-C 3.6Å; R585-D587 PolarHBondContact O-N 3.42Å |
| 588 | Q | 56.5 | Low | 63.3 | Low | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 144.9 | 171.9 | -68.3 | -179 | 6.2 | 0 | 0 | 112.3 | R585 | R585-Q588 HydrophobicContact CB-CB 4.47Å; R585-Q588 PolarHBondContact N-O 2.9Å; R585-Q588 VanDerWaalsContact N-O 3.11Å; R585-Q588 PolarHBondContact O-N 3.31Å |
| 589 | R | 53.8 | Low | 62.3 | Low | 204 Ų | 204 | 76.1 Ų | 76.1 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | trans | -58.7 | 149.9 | 171.8 | -65.6 | -173.2 | -173.5 | -175.3 | 1.5 | 111 | R585 | R585-R589 PolarHBondContact NH2-O 2.73Å; R585-R589 VanDerWaalsContact NH2-O 3.09Å | ||
| 590 | P | 59.5 | Low | 61.8 | Low | 25 Ų | 25 | 80.2 Ų | 80.2 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -55 | 150.3 | 171.6 | 22.3 | -31.7 | 0 | 0 | 0 | 110.9 | F592 E593 | P590-F592 VanDerWaalsContact C-N 3.3Å; P590-F592 PolarHBondContact O-N 2.81Å; P590-E593 HydrophobicContact CG-CG 3.66Å | ||
| 591 | L | 61.9 | Low | 61.1 | Low | 62 Ų | 62 | 84.9 Ų | 84.9 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -65.7 | -36.7 | -180 | -88.7 | 151.3 | 0 | 0 | 0 | 111.5 | I514 P581 | I514-L591 HydrophobicContact CG2-CD1 4.29Å; P581-L591 HydrophobicContact CB-CB 4.34Å; P581-L591 HydrophobicContact CB-CD1 4.37Å; P581-L591 WeakPolarHBondContact O-CB 3.41Å; P581-L591 PolarHBondContact O-N 3.29Å |
| 592 | F | 67.6 | Low | 60.7 | Low | 4 Ų | 4 | 87.7 Ų | 87.7 | 2% | 0.018 | 47% | 0.465 | C | S | . | . | trans | -135.8 | 117.2 | -176.8 | -51.8 | -63 | 0 | 0 | 0 | 109.7 | P581 F582 P590 V597 L598 N603 Y606 F610 | P581-F592 HydrophobicContact CB-CD2 3.82Å; P581-F592 HydrophobicContact CB-CE2 4.1Å; P581-F592 PolarHBondContact O-N 3.44Å; F582-F592 HydrophobicContact CD1-CB 4Å; F582-F592 WeakPolarHBondContact CD1-O 3.4Å; F582-F592 HydrophobicContact CE1-CB 3.7Å; F582-F592 HydrophobicContact CZ-CB 4.25Å; P590-F592 VanDerWaalsContact C-N 3.3Å; P590-F592 PolarHBondContact O-N 2.81Å; F592-V597 HydrophobicContact CD1-CG1 3.94Å; F592-L598 HydrophobicContact CB-CD2 4.49Å; F592-L598 HydrophobicContact CD1-CD2 3.71Å; F592-L598 HydrophobicContact CD1-CG 4.33Å; F592-L598 HydrophobicContact CD2-CD2 4.02Å; F592-L598 HydrophobicContact CE1-CD2 3.89Å; F592-L598 HydrophobicContact CE2-CD2 4.17Å; F592-L598 HydrophobicContact CG-CD2 3.8Å; F592-L598 HydrophobicContact CG-CG 4.39Å; F592-L598 HydrophobicContact CZ-CD2 4.11Å; F592-N603 HydrophobicContact CE1-CB 4.29Å; F592-Y606 HydrophobicContact CE2-CD1 4.39Å; F592-Y606 HydrophobicContact CE2-CG 4.21Å; F592-Y606 HydrophobicContact CZ-CD1 4.32Å; F592-Y606 AromaticContact CZ-CD2 3.88Å; F592-Y606 HydrophobicContact CZ-CD2 3.88Å; F592-Y606 HydrophobicContact CZ-CE2 4.5Å; F592-Y606 AromaticContact CZ-CG 3.77Å; F592-Y606 HydrophobicContact CZ-CG 3.77Å; F592-F610 HydrophobicContact CD2-CE2 4.13Å; F592-F610 HydrophobicContact CD2-CZ 4.25Å; F592-F610 AromaticContact CE2-CE2 3.96Å; F592-F610 HydrophobicContact CE2-CE2 3.96Å; F592-F610 HydrophobicContact CE2-CZ 4.09Å | ||
| 593 | E | 58.3 | Low | 60.6 | Low | 109 Ų | 109 | 87.2 Ų | 87.2 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -100.4 | -37.5 | 177 | -72.1 | 177 | 175.8 | 0 | 0 | 112.3 | P590 | P590-E593 HydrophobicContact CG-CG 3.66Š|
| 594 | N | 59.8 | Low | 60.4 | Low | 97 Ų | 97 | 88.9 Ų | 88.9 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -130.2 | 150.1 | -172.1 | -73.8 | -35.5 | 0 | 0 | 0 | 111.6 | A596 V597 | N594-A596 PolarHBondContact O-N 3.32Å; N594-A596 VanDerWaalsContact O-N 3.16Å; N594-V597 HydrophobicContact CB-CG2 4.37Å; N594-V597 WeakPolarHBondContact O-CB 3.29Å; N594-V597 PolarHBondContact O-N 2.89Å |
| 595 | P | 57.3 | Low | 61 | Low | 61 Ų | 61 | 87.3 Ų | 87.3 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.2 | -31.6 | 177.4 | 19.8 | -30.3 | 0 | 0 | 0 | 112.9 | V597 L598 Y644 | P595-V597 PolarHBondContact O-N 2.88Å; P595-L598 PolarHBondContact O-N 3.42Å; P595-L598 VanDerWaalsContact O-N 3.16Å; P595-Y644 HydrophobicContact CB-CD1 3.73Å; P595-Y644 HydrophobicContact CB-CE1 4.01Å; P595-Y644 HydrophobicContact CB-CG 4.06Å; P595-Y644 HydrophobicContact CG-CE1 4.38Å |
| 596 | A | 58.1 | Low | 61.9 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64 | -16.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | N594 S599 | N594-A596 PolarHBondContact O-N 3.32Å; N594-A596 VanDerWaalsContact O-N 3.16Å; A596-S599 PolarHBondContact O-OG 3.11Å; A596-S599 VanDerWaalsContact O-OG 3.05Å |
| 597 | V | 64.1 | Low | 63 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 24% | 0.242 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -79.3 | -35.7 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | F592 N594 P595 S599 K600 N603 | F592-V597 HydrophobicContact CD1-CG1 3.94Å; N594-V597 HydrophobicContact CB-CG2 4.37Å; N594-V597 WeakPolarHBondContact O-CB 3.29Å; N594-V597 PolarHBondContact O-N 2.89Å; P595-V597 PolarHBondContact O-N 2.88Å; V597-S599 VanDerWaalsContact C-N 3.32Å; V597-S599 PolarHBondContact O-N 3.26Å; V597-K600 WeakPolarHBondContact O-CB 3.25Å; V597-K600 PolarHBondContact O-N 3.46Å; V597-N603 PolarHBondContact O-ND2 3.07Å |
| 598 | L | 59.6 | Low | 64.2 | Low | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -72.2 | -24.8 | 179.6 | -70.3 | 171.5 | 0 | 0 | 0 | 113.1 | F582 F592 P595 K600 F610 Y644 L646 | F582-L598 HydrophobicContact CZ-CD1 4.32Å; F592-L598 HydrophobicContact CB-CD2 4.49Å; F592-L598 HydrophobicContact CD1-CD2 3.71Å; F592-L598 HydrophobicContact CD1-CG 4.33Å; F592-L598 HydrophobicContact CD2-CD2 4.02Å; F592-L598 HydrophobicContact CE1-CD2 3.89Å; F592-L598 HydrophobicContact CE2-CD2 4.17Å; F592-L598 HydrophobicContact CG-CD2 3.8Å; F592-L598 HydrophobicContact CG-CG 4.39Å; F592-L598 HydrophobicContact CZ-CD2 4.11Å; P595-L598 PolarHBondContact O-N 3.42Å; P595-L598 VanDerWaalsContact O-N 3.16Å; L598-K600 VanDerWaalsContact C-N 3.27Å; L598-K600 PolarHBondContact O-N 2.89Å; L598-F610 HydrophobicContact CD2-CD2 4.21Å; L598-F610 HydrophobicContact CD2-CE2 3.89Å; L598-Y644 HydrophobicContact CD1-CD1 3.81Å; L598-L646 HydrophobicContact CD1-CD1 4.42Å; L598-L646 HydrophobicContact CD1-CD2 4.34Å |
| 599 | S | 60.2 | Low | 65.4 | Low | 82 Ų | 82 | 71.8 Ų | 71.8 | 57% | 0.573 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.6 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | A596 V597 | A596-S599 PolarHBondContact O-OG 3.11Å; A596-S599 VanDerWaalsContact O-OG 3.05Å; V597-S599 VanDerWaalsContact C-N 3.32Å; V597-S599 PolarHBondContact O-N 3.26Å |
| 600 | K | 67.5 | Low | 66.8 | Low | 123 Ų | 123 | 62.2 Ų | 62.2 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -69.6 | 139 | 174.6 | -66.4 | -176.1 | 176.7 | -177.8 | 0 | 110.5 | V597 L598 G602 N603 | V597-K600 WeakPolarHBondContact O-CB 3.25Å; V597-K600 PolarHBondContact O-N 3.46Å; L598-K600 VanDerWaalsContact C-N 3.27Å; L598-K600 PolarHBondContact O-N 2.89Å; K600-G602 PolarHBondContact O-N 2.96Å; K600-N603 PolarHBondContact O-N 3.12Å |
| 601 | P | 58.3 | Low | 67.9 | Low | 107 Ų | 107 | 63 Ų | 63 | 70% | 0.695 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -60 | -22.9 | -173.2 | 20.2 | -31.7 | 0 | 0 | 0 | 114.4 | N603 | P601-N603 VanDerWaalsContact C-N 3.32Å; P601-N603 PolarHBondContact O-N 3.02Å |
| 602 | G | 63.7 | Low | 68.9 | Low | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -72.8 | -19.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K600 | K600-G602 PolarHBondContact O-N 2.96Š|
| 603 | N | 70.6 | Confident | 69.9 | Low | 35 Ų | 35 | 60 Ų | 60 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -103.3 | 3.4 | -172.4 | -67.6 | -29.2 | 0 | 0 | 0 | 113.6 | F592 V597 K600 P601 P605 Y606 K607 | F592-N603 HydrophobicContact CE1-CB 4.29Å; V597-N603 PolarHBondContact O-ND2 3.07Å; K600-N603 PolarHBondContact O-N 3.12Å; P601-N603 VanDerWaalsContact C-N 3.32Å; P601-N603 PolarHBondContact O-N 3.02Å; N603-P605 VanDerWaalsContact C-N 3.34Å; N603-Y606 WeakPolarHBondContact O-CB 3.33Å; N603-Y606 PolarHBondContact O-N 3.29Å; N603-K607 PolarHBondContact O-N 3.38Å |
| 604 | E | 67.8 | Low | 71.2 | Confident | 123 Ų | 123 | 54.8 Ų | 54.8 | 58% | 0.575 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.3 | -39.9 | 177.2 | -70.2 | 177.5 | -179 | 0 | 0 | 114.6 | Y606 K607 R608 | E604-Y606 VanDerWaalsContact C-N 3.3Å; E604-Y606 PolarHBondContact O-N 2.83Å; E604-K607 PolarHBondContact O-N 3.45Å; E604-R608 PolarHBondContact O-N 2.91Å |
| 605 | P | 70.5 | Confident | 72.4 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -38 | 177.3 | -22.3 | 33.7 | 0 | 0 | 0 | 112.5 | N603 M609 | N603-P605 VanDerWaalsContact C-N 3.34Å; P605-M609 WeakPolarHBondContact O-CB 3.44Å; P605-M609 PolarHBondContact O-N 3.19Å |
| 606 | Y | 75.9 | Confident | 73.8 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 176.5 | -66.6 | -76.3 | 0 | 0 | 0 | 111.3 | F592 N603 E604 R608 M609 F610 | F592-Y606 HydrophobicContact CE2-CD1 4.39Å; F592-Y606 HydrophobicContact CE2-CG 4.21Å; F592-Y606 HydrophobicContact CZ-CD1 4.32Å; F592-Y606 AromaticContact CZ-CD2 3.88Å; F592-Y606 HydrophobicContact CZ-CD2 3.88Å; F592-Y606 HydrophobicContact CZ-CE2 4.5Å; F592-Y606 AromaticContact CZ-CG 3.77Å; F592-Y606 HydrophobicContact CZ-CG 3.77Å; N603-Y606 WeakPolarHBondContact O-CB 3.33Å; N603-Y606 PolarHBondContact O-N 3.29Å; E604-Y606 VanDerWaalsContact C-N 3.3Å; E604-Y606 PolarHBondContact O-N 2.83Å; Y606-R608 VanDerWaalsContact C-N 3.35Å; Y606-R608 PolarHBondContact O-N 3.13Å; Y606-M609 WeakPolarHBondContact O-CB 3.48Å; Y606-M609 PolarHBondContact O-N 3.46Å; Y606-F610 WeakPolarHBondContact O-CD2 3.41Å; Y606-F610 WeakPolarHBondContact O-CG 3.24Å; Y606-F610 PolarHBondContact O-N 3.5Å |
| 607 | K | 77.3 | Confident | 75.1 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 174.3 | -174.4 | -179.3 | 177.7 | -176.6 | 0 | 111.2 | N603 E604 M609 F610 Q611 L646 | N603-K607 PolarHBondContact O-N 3.38Å; E604-K607 PolarHBondContact O-N 3.45Å; K607-M609 VanDerWaalsContact C-N 3.34Å; K607-M609 PolarHBondContact O-N 2.94Å; K607-F610 PolarHBondContact O-N 3.44Å; K607-Q611 WeakPolarHBondContact O-CG 3.45Å; K607-Q611 PolarHBondContact O-N 2.94Å; K607-L646 HydrophobicContact CG-CD2 4.32Å |
| 608 | R | 79.6 | Confident | 76 | Confident | 103 Ų | 103 | 45 Ų | 45 | 39% | 0.389 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -40.8 | 176.6 | -168.7 | 158.3 | -173.6 | 135.8 | 6.4 | 111.4 | D548 E604 Y606 F610 Q611 L612 | D548-R608 IonicContact OD1-NH2 3.71Å; D548-R608 PolarHBondContact OD1-NH2 2.91Å; D548-R608 IonicContact OD2-CZ 2.78Å; D548-R608 IonicContact OD2-NH2 3.67Å; D548-R608 PolarHBondContact OD2-NH2 2.84Å; E604-R608 PolarHBondContact O-N 2.91Å; Y606-R608 VanDerWaalsContact C-N 3.35Å; Y606-R608 PolarHBondContact O-N 3.13Å; R608-F610 PolarHBondContact O-N 3.46Å; R608-Q611 PolarHBondContact O-N 3.45Å; R608-L612 HydrophobicContact CG-CD1 4.34Å; R608-L612 VanDerWaalsContact O-CG 3.24Å; R608-L612 WeakPolarHBondContact O-CG 3.49Å; R608-L612 PolarHBondContact O-N 3.44Å |
| 609 | M | 81.5 | Confident | 77.2 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 174.6 | -167.2 | -172.6 | -88.4 | 0 | 0 | 112.2 | F510 I528 L532 P605 Y606 K607 L612 M613 | F510-M609 HydrophobicContact CE1-CE 4.06Å; F510-M609 HydrophobicContact CE1-SD 3.96Å; F510-M609 HydrophobicContact CZ-CE 4.06Å; F510-M609 HydrophobicContact CZ-SD 4.42Å; I528-M609 HydrophobicContact CB-CE 3.57Å; I528-M609 HydrophobicContact CG2-CE 3.4Å; I528-M609 VanDerWaalsContact CG2-CE 3.4Å; I528-M609 HydrophobicContact CG2-SD 3.99Å; L532-M609 HydrophobicContact CD1-CB 4.43Å; L532-M609 HydrophobicContact CD1-CG 3.36Å; P605-M609 WeakPolarHBondContact O-CB 3.44Å; P605-M609 PolarHBondContact O-N 3.19Å; Y606-M609 WeakPolarHBondContact O-CB 3.48Å; Y606-M609 PolarHBondContact O-N 3.46Å; K607-M609 VanDerWaalsContact C-N 3.34Å; K607-M609 PolarHBondContact O-N 2.94Å; M609-L612 PolarHBondContact O-N 3.3Å; M609-M613 HydrophobicContact CB-CE 4.45Å; M609-M613 HydrophobicContact CG-CE 3.71Å; M609-M613 WeakPolarHBondContact O-CG 3.45Å; M609-M613 PolarHBondContact O-N 2.88Å; M609-M613 HydrophobicContact SD-CE 4.04Å |
| 610 | F | 83.4 | Confident | 78.3 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 177.1 | -65 | -46.1 | 0 | 0 | 0 | 112.9 | L578 P581 F582 F592 L598 Y606 K607 R608 L612 M613 Y614 L646 | L578-F610 HydrophobicContact CD2-CD1 3.87Å; P581-F610 HydrophobicContact CB-CZ 4.11Å; P581-F610 HydrophobicContact CG-CE1 4.1Å; P581-F610 HydrophobicContact CG-CZ 3.89Å; F582-F610 HydrophobicContact CE2-CE1 4.43Å; F582-F610 HydrophobicContact CE2-CE2 4.38Å; F582-F610 HydrophobicContact CE2-CZ 4.06Å; F582-F610 HydrophobicContact CZ-CE2 4.4Å; F592-F610 HydrophobicContact CD2-CE2 4.13Å; F592-F610 HydrophobicContact CD2-CZ 4.25Å; F592-F610 AromaticContact CE2-CE2 3.96Å; F592-F610 HydrophobicContact CE2-CE2 3.96Å; F592-F610 HydrophobicContact CE2-CZ 4.09Å; L598-F610 HydrophobicContact CD2-CD2 4.21Å; L598-F610 HydrophobicContact CD2-CE2 3.89Å; Y606-F610 WeakPolarHBondContact O-CD2 3.41Å; Y606-F610 WeakPolarHBondContact O-CG 3.24Å; Y606-F610 PolarHBondContact O-N 3.5Å; K607-F610 PolarHBondContact O-N 3.44Å; R608-F610 PolarHBondContact O-N 3.46Å; F610-L612 VanDerWaalsContact C-N 3.32Å; F610-L612 PolarHBondContact O-N 2.93Å; F610-M613 HydrophobicContact CD1-CE 3.35Å; F610-M613 HydrophobicContact CE1-CE 3.75Å; F610-M613 HydrophobicContact CG-CE 4.37Å; F610-M613 WeakPolarHBondContact O-CB 3.3Å; F610-M613 PolarHBondContact O-N 2.85Å; F610-Y614 WeakPolarHBondContact O-CD2 3.3Å; F610-Y614 PolarHBondContact O-N 3.29Å; F610-L646 HydrophobicContact CB-CD1 4.16Å; F610-L646 HydrophobicContact CB-CD2 3.8Å; F610-L646 HydrophobicContact CB-CG 4.42Å; F610-L646 HydrophobicContact CD2-CD2 4.37Å; F610-L646 HydrophobicContact CG-CD1 4.46Å |
| 611 | Q | 82.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 175 | -72.2 | 174.4 | -27.6 | 0 | 0 | 111.8 | L550 K607 R608 Y614 T615 G645 M647 | L550-Q611 HydrophobicContact CD2-CB 4.06Å; K607-Q611 WeakPolarHBondContact O-CG 3.45Å; K607-Q611 PolarHBondContact O-N 2.94Å; R608-Q611 PolarHBondContact O-N 3.45Å; Q611-Y614 PolarHBondContact O-N 2.88Å; Q611-T615 VanDerWaalsContact O-CB 3.3Å; Q611-T615 WeakPolarHBondContact O-CB 3.41Å; Q611-T615 PolarHBondContact O-N 3.12Å; Q611-T615 PolarHBondContact O-OG1 3.19Å; Q611-G645 PolarHBondContact NE2-O 3.47Å; Q611-M647 HydrophobicContact CB-SD 4.49Å |
| 612 | L | 84 | Confident | 80.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 174 | -67 | 169 | 0 | 0 | 0 | 111.8 | T529 L532 I533 I536 P549 L550 R608 M609 F610 T615 L616 | T529-L612 HydrophobicContact CG2-CD1 3.82Å; L532-L612 HydrophobicContact CB-CB 4.1Å; L532-L612 HydrophobicContact CB-CD1 4.39Å; L532-L612 HydrophobicContact CD1-CB 4.3Å; I533-L612 HydrophobicContact CD1-CD1 4.36Å; I533-L612 HydrophobicContact CG1-CD1 3.82Å; I533-L612 HydrophobicContact CG1-CD2 4.18Å; I536-L612 HydrophobicContact CD1-CB 4.18Å; I536-L612 HydrophobicContact CD1-CD2 3.62Å; P549-L612 HydrophobicContact CB-CD2 3.96Å; P549-L612 HydrophobicContact CG-CD2 3.73Å; L550-L612 HydrophobicContact CD2-CD2 4.12Å; L550-L612 HydrophobicContact CG-CD2 4.35Å; R608-L612 HydrophobicContact CG-CD1 4.34Å; R608-L612 VanDerWaalsContact O-CG 3.24Å; R608-L612 WeakPolarHBondContact O-CG 3.49Å; R608-L612 PolarHBondContact O-N 3.44Å; M609-L612 PolarHBondContact O-N 3.3Å; F610-L612 VanDerWaalsContact C-N 3.32Å; F610-L612 PolarHBondContact O-N 2.93Å; L612-T615 PolarHBondContact O-N 3.49Å; L612-L616 WeakPolarHBondContact O-CB 3.42Å; L612-L616 PolarHBondContact O-N 2.81Å |
| 613 | M | 87.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.2 | -75.1 | -172.3 | -106.3 | 0 | 0 | 112.6 | L532 I574 L577 L578 M609 F610 L616 L617 | L532-M613 HydrophobicContact CD1-CG 3.87Å; L532-M613 HydrophobicContact CD2-CG 3.88Å; I574-M613 HydrophobicContact CG2-CB 4.01Å; I574-M613 HydrophobicContact CG2-CG 4.13Å; I574-M613 HydrophobicContact CG2-SD 4.21Å; L577-M613 HydrophobicContact CB-SD 4.08Å; L578-M613 HydrophobicContact CD2-CB 4.08Å; L578-M613 HydrophobicContact CD2-CE 4.44Å; L578-M613 HydrophobicContact CD2-SD 3.96Å; L578-M613 HydrophobicContact CG-CB 4.41Å; L578-M613 HydrophobicContact CG-SD 3.93Å; M609-M613 HydrophobicContact CB-CE 4.45Å; M609-M613 HydrophobicContact CG-CE 3.71Å; M609-M613 WeakPolarHBondContact O-CG 3.45Å; M609-M613 PolarHBondContact O-N 2.88Å; M609-M613 HydrophobicContact SD-CE 4.04Å; F610-M613 HydrophobicContact CD1-CE 3.35Å; F610-M613 HydrophobicContact CE1-CE 3.75Å; F610-M613 HydrophobicContact CG-CE 4.37Å; F610-M613 WeakPolarHBondContact O-CB 3.3Å; F610-M613 PolarHBondContact O-N 2.85Å; M613-L616 PolarHBondContact O-N 3.49Å; M613-L617 WeakPolarHBondContact O-CG 3.38Å; M613-L617 PolarHBondContact O-N 3.34Å |
| 614 | Y | 86 | Confident | 81.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 175.6 | -82.6 | -67.5 | 0 | 0 | 0 | 112.5 | L578 F610 Q611 L616 L617 R618 I638 Q641 L646 A648 T651 | L578-Y614 HydrophobicContact CD1-CE1 4.37Å; L578-Y614 HydrophobicContact CD2-CD2 4.24Å; L578-Y614 HydrophobicContact CD2-CE2 3.76Å; F610-Y614 WeakPolarHBondContact O-CD2 3.3Å; F610-Y614 PolarHBondContact O-N 3.29Å; Q611-Y614 PolarHBondContact O-N 2.88Å; Y614-L616 VanDerWaalsContact C-N 3.29Å; Y614-L616 PolarHBondContact O-N 3.46Å; Y614-L617 HydrophobicContact CD1-CD1 4.11Å; Y614-L617 HydrophobicContact CE1-CD1 4.33Å; Y614-L617 WeakPolarHBondContact O-CB 3.42Å; Y614-L617 PolarHBondContact O-N 2.92Å; Y614-L617 VanDerWaalsContact O-N 3.17Å; Y614-R618 PolarHBondContact O-N 3.41Å; Y614-I638 HydrophobicContact CE1-CG1 4.35Å; Y614-I638 HydrophobicContact CE1-CG2 3.82Å; Y614-Q641 PolarHBondContact OH-OE1 2.81Å; Y614-L646 VanDerWaalsContact CB-O 3.27Å; Y614-L646 WeakPolarHBondContact CB-O 3.42Å; Y614-L646 HydrophobicContact CD2-CB 3.67Å; Y614-L646 WeakPolarHBondContact CD2-O 3.49Å; Y614-L646 HydrophobicContact CE2-CB 3.68Å; Y614-L646 HydrophobicContact CE2-CD1 4.17Å; Y614-A648 HydrophobicContact CD1-CB 4.32Å; Y614-A648 HydrophobicContact CE1-CB 3.8Å; Y614-A648 HydrophobicContact CE2-CB 4.29Å; Y614-T651 PolarHBondContact O-OG1 3.37Å |
| 615 | T | 83.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | I536 L550 Q611 L612 R618 F619 M647 | I536-T615 HydrophobicContact CD1-CG2 3.99Å; L550-T615 WeakPolarHBondContact CD2-OG1 3.25Å; Q611-T615 VanDerWaalsContact O-CB 3.3Å; Q611-T615 WeakPolarHBondContact O-CB 3.41Å; Q611-T615 PolarHBondContact O-N 3.12Å; Q611-T615 PolarHBondContact O-OG1 3.19Å; L612-T615 PolarHBondContact O-N 3.49Å; T615-R618 WeakPolarHBondContact O-CB 3.34Å; T615-R618 PolarHBondContact O-N 3.1Å; T615-F619 HydrophobicContact CG2-CD2 3.75Å; T615-F619 HydrophobicContact CG2-CE2 3.37Å; T615-F619 HydrophobicContact CG2-CZ 4.37Å; T615-F619 VanDerWaalsContact O-CD2 3.22Å; T615-F619 WeakPolarHBondContact O-CD2 3.4Å; T615-F619 PolarHBondContact O-N 3.08Å; T615-M647 PolarHBondContact OG1-SD 3.33Å; T615-M647 VanDerWaalsContact OG1-SD 3.4Å |
| 616 | L | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.9 | -178.4 | 59 | 0 | 0 | 0 | 112.2 | L532 L535 I536 V539 L565 I574 L612 M613 Y614 R618 F619 S620 | L532-L616 HydrophobicContact CD2-CD2 4.41Å; L535-L616 HydrophobicContact CB-CD1 4.1Å; L535-L616 HydrophobicContact CB-CD2 3.7Å; L535-L616 HydrophobicContact CD1-CD2 4.03Å; L535-L616 HydrophobicContact CG-CD2 4.44Å; L535-L616 WeakPolarHBondContact O-CD1 3.44Å; I536-L616 HydrophobicContact CG1-CB 4.08Å; I536-L616 HydrophobicContact CG1-CD1 4.27Å; V539-L616 HydrophobicContact CG2-CD1 3.82Å; L565-L616 HydrophobicContact CD1-CD1 4.01Å; I574-L616 HydrophobicContact CD1-CD2 3.39Å; I574-L616 HydrophobicContact CD1-CG 4.18Å; L612-L616 WeakPolarHBondContact O-CB 3.42Å; L612-L616 PolarHBondContact O-N 2.81Å; M613-L616 PolarHBondContact O-N 3.49Å; Y614-L616 VanDerWaalsContact C-N 3.29Å; Y614-L616 PolarHBondContact O-N 3.46Å; L616-R618 VanDerWaalsContact C-N 3.34Å; L616-R618 PolarHBondContact O-N 3.02Å; L616-F619 PolarHBondContact O-N 2.75Å; L616-S620 VanDerWaalsContact O-CB 3.25Å; L616-S620 WeakPolarHBondContact O-CB 3.45Å; L616-S620 PolarHBondContact O-N 3.49Å |
| 617 | L | 85.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 173 | -71.5 | 174.7 | 0 | 0 | 0 | 111.3 | L571 I574 F575 L578 M613 Y614 F619 S620 Q621 I631 T651 | L571-L617 HydrophobicContact CD2-CD2 4.11Å; I574-L617 HydrophobicContact CG2-CD2 4.46Å; I574-L617 HydrophobicContact CG2-CG 4.38Å; F575-L617 HydrophobicContact CE1-CD1 4.16Å; F575-L617 HydrophobicContact CE2-CD2 4.09Å; F575-L617 HydrophobicContact CZ-CD1 4.27Å; F575-L617 HydrophobicContact CZ-CD2 3.95Å; L578-L617 HydrophobicContact CD1-CD1 3.96Å; M613-L617 WeakPolarHBondContact O-CG 3.38Å; M613-L617 PolarHBondContact O-N 3.34Å; Y614-L617 HydrophobicContact CD1-CD1 4.11Å; Y614-L617 HydrophobicContact CE1-CD1 4.33Å; Y614-L617 WeakPolarHBondContact O-CB 3.42Å; Y614-L617 PolarHBondContact O-N 2.92Å; Y614-L617 VanDerWaalsContact O-N 3.17Å; L617-F619 PolarHBondContact O-N 3.09Å; L617-S620 PolarHBondContact O-N 3.01Å; L617-S620 PolarHBondContact O-OG 3.35Å; L617-Q621 WeakPolarHBondContact O-CG 3.21Å; L617-Q621 PolarHBondContact O-N 2.68Å; L617-I631 HydrophobicContact CB-CD1 4.47Å; L617-I631 HydrophobicContact CD2-CD1 4.25Å; L617-T651 HydrophobicContact CB-CG2 3.91Å |
| 618 | R | 83.9 | Confident | 82.3 | Confident | 58 Ų | 58 | 30.4 Ų | 30.4 | 22% | 0.219 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 177.5 | -171.4 | -176.8 | 71.6 | -173.1 | 1 | 112.7 | Y614 T615 L616 Q621 T651 A654 | Y614-R618 PolarHBondContact O-N 3.41Å; T615-R618 WeakPolarHBondContact O-CB 3.34Å; T615-R618 PolarHBondContact O-N 3.1Å; L616-R618 VanDerWaalsContact C-N 3.34Å; L616-R618 PolarHBondContact O-N 3.02Å; R618-Q621 WeakPolarHBondContact O-CG 3.48Å; R618-Q621 PolarHBondContact O-NE2 3.49Å; R618-T651 HydrophobicContact CB-CG2 4.43Å; R618-A654 HydrophobicContact CG-CB 4.06Å |
| 619 | F | 83.4 | Confident | 82.2 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.9 | -26.9 | 176.3 | -68.1 | -54 | 0 | 0 | 0 | 113.1 | I536 V539 T540 I552 V554 Q562 T615 L616 L617 Q621 | I536-F619 HydrophobicContact CG2-CD2 4.03Å; I536-F619 HydrophobicContact CG2-CE2 4.04Å; V539-F619 HydrophobicContact CG1-CB 3.84Å; V539-F619 WeakPolarHBondContact CG1-O 3.35Å; T540-F619 HydrophobicContact CG2-CB 4.39Å; T540-F619 HydrophobicContact CG2-CD1 4.14Å; T540-F619 HydrophobicContact CG2-CD2 3.83Å; T540-F619 HydrophobicContact CG2-CE1 4.37Å; T540-F619 HydrophobicContact CG2-CE2 4.05Å; T540-F619 HydrophobicContact CG2-CG 3.88Å; T540-F619 HydrophobicContact CG2-CZ 4.32Å; I552-F619 HydrophobicContact CB-CZ 4.46Å; I552-F619 HydrophobicContact CG2-CZ 4.39Å; I552-F619 WeakPolarHBondContact O-CZ 3.5Å; V554-F619 HydrophobicContact CB-CE1 4.23Å; V554-F619 HydrophobicContact CG2-CE1 4.47Å; Q562-F619 PolarHBondContact NE2-O 2.91Å; T615-F619 HydrophobicContact CG2-CD2 3.75Å; T615-F619 HydrophobicContact CG2-CE2 3.37Å; T615-F619 HydrophobicContact CG2-CZ 4.37Å; T615-F619 VanDerWaalsContact O-CD2 3.22Å; T615-F619 WeakPolarHBondContact O-CD2 3.4Å; T615-F619 PolarHBondContact O-N 3.08Å; L616-F619 PolarHBondContact O-N 2.75Å; L617-F619 PolarHBondContact O-N 3.09Å; F619-Q621 VanDerWaalsContact C-N 3.26Å; F619-Q621 PolarHBondContact O-N 2.8Å |
| 620 | S | 85.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.4 | -23 | 179.9 | 78.7 | 0 | 0 | 0 | 0 | 113.7 | Q562 L616 L617 N627 | Q562-S620 PolarHBondContact NE2-O 2.87Å; L616-S620 VanDerWaalsContact O-CB 3.25Å; L616-S620 WeakPolarHBondContact O-CB 3.45Å; L616-S620 PolarHBondContact O-N 3.49Å; L617-S620 PolarHBondContact O-N 3.01Å; L617-S620 PolarHBondContact O-OG 3.35Å; S620-N627 WeakPolarHBondContact O-CB 3.21Å; S620-N627 PolarHBondContact O-ND2 3.44Å |
| 621 | Q | 85.7 | Confident | 82 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -102.3 | -21 | -175 | 68 | 80.2 | 19.7 | 0 | 0 | 114.7 | L617 R618 F619 A623 Y624 Q628 I631 A654 V655 | L617-Q621 WeakPolarHBondContact O-CG 3.21Å; L617-Q621 PolarHBondContact O-N 2.68Å; R618-Q621 WeakPolarHBondContact O-CG 3.48Å; R618-Q621 PolarHBondContact O-NE2 3.49Å; F619-Q621 VanDerWaalsContact C-N 3.26Å; F619-Q621 PolarHBondContact O-N 2.8Å; Q621-A623 PolarHBondContact O-N 2.93Å; Q621-A623 VanDerWaalsContact O-N 3.12Å; Q621-Y624 PolarHBondContact O-N 3.13Å; Q621-Q628 HydrophobicContact CB-CG 4.05Å; Q621-Q628 WeakPolarHBondContact O-CG 3.31Å; Q621-I631 HydrophobicContact CB-CD1 3.69Å; Q621-I631 HydrophobicContact CG-CD1 4.21Å; Q621-A654 VanDerWaalsContact NE2-C 3.32Å; Q621-A654 PolarHBondContact NE2-O 3.48Å; Q621-A654 PolarHBondContact OE1-O 3.21Å; Q621-V655 HydrophobicContact CB-CG2 4.15Å; Q621-V655 HydrophobicContact CG-CG2 3.53Å |
| 622 | Q | 80.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 118.2 | -174.8 | -176.1 | -179.9 | 5.8 | 0 | 0 | 111 | V554 P557 Q562 Y624 | V554-Q622 PolarHBondContact O-NE2 3.5Å; P557-Q622 HydrophobicContact CG-CB 4.02Å; P557-Q622 HydrophobicContact CG-CG 4.16Å; Q562-Q622 PolarHBondContact NE2-O 2.93Å; Q562-Q622 VanDerWaalsContact NE2-O 3.11Å; Q622-Y624 PolarHBondContact O-N 3.38Å |
| 623 | A | 70.8 | Confident | 81 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 66% | 0.661 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 23.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q621 | Q621-A623 PolarHBondContact O-N 2.93Å; Q621-A623 VanDerWaalsContact O-N 3.12Å |
| 624 | Y | 81.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -128.8 | 88.8 | 179.9 | -168.8 | -153.6 | 0 | 0 | 0 | 113.9 | Q562 K563 R566 Q621 Q622 R626 N627 Q628 | Q562-Y624 HydrophobicContact CB-CD1 3.84Å; Q562-Y624 HydrophobicContact CB-CE1 4.24Å; K563-Y624 HydrophobicContact CB-CE1 3.96Å; R566-Y624 PolarHBondContact NH1-OH 2.85Å; Q621-Y624 PolarHBondContact O-N 3.13Å; Q622-Y624 PolarHBondContact O-N 3.38Å; Y624-R626 VanDerWaalsContact C-N 3.29Å; Y624-R626 HydrophobicContact CE2-CB 4.1Å; Y624-R626 HydrophobicContact CE2-CG 4.49Å; Y624-R626 PolarHBondContact O-N 2.98Å; Y624-N627 HydrophobicContact CD1-CB 3.92Å; Y624-N627 VanDerWaalsContact CD1-CG 3.49Å; Y624-N627 WeakPolarHBondContact CD1-ND2 3.23Å; Y624-N627 HydrophobicContact CG-CB 4.45Å; Y624-N627 PolarHBondContact O-N 3.29Å; Y624-Q628 PolarHBondContact O-N 3.23Å | ||
| 625 | R | 76.3 | Confident | 79.8 | Confident | 108 Ų | 108 | 39.8 Ų | 39.8 | 41% | 0.408 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -40.9 | -45.6 | -179 | -172.6 | 103.7 | 176 | 111.2 | 12 | 115.2 | N627 Q628 V629 N659 | R625-N627 VanDerWaalsContact C-N 3.34Å; R625-N627 PolarHBondContact O-N 3.22Å; R625-Q628 WeakPolarHBondContact O-CB 3.38Å; R625-Q628 PolarHBondContact O-N 3.27Å; R625-V629 VanDerWaalsContact O-CG2 3.29Å; R625-V629 WeakPolarHBondContact O-CG2 3.49Å; R625-V629 PolarHBondContact O-N 3.14Å; R625-N659 PolarHBondContact NH1-ND2 3.16Å; R625-N659 PolarHBondContact NH1-OD1 3.17Å |
| 626 | R | 75.3 | Confident | 79.2 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.1 | -34.6 | -178.6 | -72.9 | -176.4 | -179.9 | 161.1 | 0.2 | 113 | Y624 Y630 | Y624-R626 VanDerWaalsContact C-N 3.29Å; Y624-R626 HydrophobicContact CE2-CB 4.1Å; Y624-R626 HydrophobicContact CE2-CG 4.49Å; Y624-R626 PolarHBondContact O-N 2.98Å; R626-Y630 WeakPolarHBondContact O-CB 3.42Å; R626-Y630 PolarHBondContact O-N 2.97Å; R626-Y630 VanDerWaalsContact O-N 3.16Å |
| 627 | N | 84.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77 | -36.4 | 174.1 | -78.5 | 7.8 | 0 | 0 | 0 | 110.9 | Q562 R566 S620 Y624 R625 V629 Y630 I631 | Q562-N627 PolarHBondContact O-ND2 3.48Å; R566-N627 WeakPolarHBondContact CD-OD1 3.36Å; R566-N627 PolarHBondContact NH1-OD1 3.01Å; S620-N627 WeakPolarHBondContact O-CB 3.21Å; S620-N627 PolarHBondContact O-ND2 3.44Å; Y624-N627 HydrophobicContact CD1-CB 3.92Å; Y624-N627 VanDerWaalsContact CD1-CG 3.49Å; Y624-N627 WeakPolarHBondContact CD1-ND2 3.23Å; Y624-N627 HydrophobicContact CG-CB 4.45Å; Y624-N627 PolarHBondContact O-N 3.29Å; R625-N627 VanDerWaalsContact C-N 3.34Å; R625-N627 PolarHBondContact O-N 3.22Å; N627-V629 PolarHBondContact O-N 3.43Å; N627-Y630 PolarHBondContact O-N 3.32Å; N627-I631 VanDerWaalsContact O-CG1 3.29Å; N627-I631 WeakPolarHBondContact O-CG1 3.32Å; N627-I631 PolarHBondContact O-N 2.94Å |
| 628 | Q | 80.2 | Confident | 77.8 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 172.6 | -67.4 | 174.6 | -19.4 | 0 | 0 | 111.8 | Q621 Y624 R625 I631 A632 V655 N659 L662 | Q621-Q628 HydrophobicContact CB-CG 4.05Å; Q621-Q628 WeakPolarHBondContact O-CG 3.31Å; Y624-Q628 PolarHBondContact O-N 3.23Å; R625-Q628 WeakPolarHBondContact O-CB 3.38Å; R625-Q628 PolarHBondContact O-N 3.27Å; Q628-I631 PolarHBondContact O-N 3.45Å; Q628-A632 WeakPolarHBondContact O-CB 3.35Å; Q628-A632 PolarHBondContact O-N 3.47Å; Q628-V655 HydrophobicContact CB-CG1 4.04Å; Q628-V655 HydrophobicContact CG-CG1 4.32Å; Q628-N659 PolarHBondContact OE1-ND2 3.23Å; Q628-N659 VanDerWaalsContact OE1-ND2 3.1Å; Q628-L662 HydrophobicContact CB-CD1 3.71Å |
| 629 | V | 76.4 | Confident | 77 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 111 | R625 N627 I631 A632 E633 L662 | R625-V629 VanDerWaalsContact O-CG2 3.29Å; R625-V629 WeakPolarHBondContact O-CG2 3.49Å; R625-V629 PolarHBondContact O-N 3.14Å; N627-V629 PolarHBondContact O-N 3.43Å; V629-I631 VanDerWaalsContact C-N 3.31Å; V629-I631 PolarHBondContact O-N 3.46Å; V629-A632 WeakPolarHBondContact O-CB 3.1Å; V629-A632 PolarHBondContact O-N 2.85Å; V629-A632 VanDerWaalsContact O-N 3.09Å; V629-E633 WeakPolarHBondContact O-CG 3.43Å; V629-E633 PolarHBondContact O-N 3.09Å; V629-L662 HydrophobicContact CB-CD2 4.45Å; V629-L662 HydrophobicContact CG2-CD2 3.8Å |
| 630 | Y | 79.9 | Confident | 76.3 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | -179.8 | -178.6 | -95.1 | 0 | 0 | 0 | 113 | R566 L571 F575 R626 N627 | R566-Y630 HydrophobicContact CG-CD1 4.15Å; R566-Y630 HydrophobicContact CG-CD2 4.11Å; R566-Y630 HydrophobicContact CG-CE1 4.39Å; R566-Y630 HydrophobicContact CG-CE2 4.32Å; R566-Y630 HydrophobicContact CG-CG 4.01Å; L571-Y630 HydrophobicContact CB-CE1 3.81Å; L571-Y630 HydrophobicContact CD1-CD1 4.07Å; L571-Y630 HydrophobicContact CD1-CE1 4.18Å; F575-Y630 HydrophobicContact CE2-CE1 4.15Å; R626-Y630 WeakPolarHBondContact O-CB 3.42Å; R626-Y630 PolarHBondContact O-N 2.97Å; R626-Y630 VanDerWaalsContact O-N 3.16Å; N627-Y630 PolarHBondContact O-N 3.32Å |
| 631 | I | 80.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.7 | -38.7 | 174.1 | -63.4 | 177.2 | 0 | 0 | 0 | 110.3 | F575 L617 Q621 N627 Q628 V629 E633 R634 F635 I638 V655 | F575-I631 HydrophobicContact CZ-CG1 4.35Å; F575-I631 HydrophobicContact CZ-CG2 4.25Å; L617-I631 HydrophobicContact CB-CD1 4.47Å; L617-I631 HydrophobicContact CD2-CD1 4.25Å; Q621-I631 HydrophobicContact CB-CD1 3.69Å; Q621-I631 HydrophobicContact CG-CD1 4.21Å; N627-I631 VanDerWaalsContact O-CG1 3.29Å; N627-I631 WeakPolarHBondContact O-CG1 3.32Å; N627-I631 PolarHBondContact O-N 2.94Å; Q628-I631 PolarHBondContact O-N 3.45Å; V629-I631 VanDerWaalsContact C-N 3.31Å; V629-I631 PolarHBondContact O-N 3.46Å; I631-E633 PolarHBondContact O-N 3.18Å; I631-R634 CarbonylContact O-C 3.58Å; I631-R634 WeakPolarHBondContact O-CA 3.46Å; I631-R634 PolarHBondContact O-N 3.32Å; I631-F635 HydrophobicContact CG2-CD1 4.27Å; I631-F635 HydrophobicContact CG2-CE1 3.91Å; I631-F635 VanDerWaalsContact O-CD1 3.23Å; I631-F635 WeakPolarHBondContact O-CD1 3.49Å; I631-F635 PolarHBondContact O-N 3.05Å; I631-I638 HydrophobicContact CG2-CD1 3.82Å; I631-V655 HydrophobicContact CG2-CG2 4.24Å |
| 632 | A | 71.7 | Confident | 74.9 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q628 V629 R634 F635 L662 H666 | Q628-A632 WeakPolarHBondContact O-CB 3.35Å; Q628-A632 PolarHBondContact O-N 3.47Å; V629-A632 WeakPolarHBondContact O-CB 3.1Å; V629-A632 PolarHBondContact O-N 2.85Å; V629-A632 VanDerWaalsContact O-N 3.09Å; A632-R634 PolarHBondContact O-N 2.95Å; A632-R634 VanDerWaalsContact O-N 3.07Å; A632-F635 VanDerWaalsContact CA-CD1 3.47Å; A632-F635 HydrophobicContact CB-CD1 4.46Å; A632-F635 HydrophobicContact CB-CD2 4.27Å; A632-F635 HydrophobicContact CB-CE1 4.17Å; A632-F635 HydrophobicContact CB-CE2 3.95Å; A632-F635 HydrophobicContact CB-CZ 3.91Å; A632-F635 WeakPolarHBondContact O-CB 3.25Å; A632-F635 WeakPolarHBondContact O-CG 3.36Å; A632-F635 PolarHBondContact O-N 2.93Å; A632-F635 VanDerWaalsContact O-N 3.09Å; A632-L662 HydrophobicContact CB-CD2 4.15Å; A632-H666 PolarHBondContact O-ND1 3.09Å |
| 633 | E | 74.4 | Confident | 74 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22 | 171.6 | -73.9 | 174.8 | -175.1 | 0 | 0 | 113.1 | V629 I631 | V629-E633 WeakPolarHBondContact O-CG 3.43Å; V629-E633 PolarHBondContact O-N 3.09Å; I631-E633 PolarHBondContact O-N 3.18Å |
| 634 | R | 75.3 | Confident | 73.9 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 43% | 0.434 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 14.7 | -178.6 | -62.9 | -70.9 | 178.5 | 158.2 | 0.7 | 112.9 | F575 I631 A632 I636 D637 I638 | F575-R634 HydrophobicContact CD1-CB 4.36Å; F575-R634 HydrophobicContact CE1-CB 3.97Å; F575-R634 HydrophobicContact CE2-CB 4.31Å; F575-R634 HydrophobicContact CE2-CG 4.46Å; F575-R634 HydrophobicContact CZ-CB 3.95Å; I631-R634 CarbonylContact O-C 3.58Å; I631-R634 WeakPolarHBondContact O-CA 3.46Å; I631-R634 PolarHBondContact O-N 3.32Å; A632-R634 PolarHBondContact O-N 2.95Å; A632-R634 VanDerWaalsContact O-N 3.07Å; R634-I636 PolarHBondContact O-N 3.36Å; R634-I636 VanDerWaalsContact O-N 3.17Å; R634-D637 WeakPolarHBondContact CD-OD2 3.38Å; R634-D637 IonicContact NH1-OD2 3.32Å; R634-D637 VanDerWaalsContact O-CB 3.3Å; R634-D637 WeakPolarHBondContact O-CB 3.34Å; R634-D637 PolarHBondContact O-N 3.03Å; R634-I638 PolarHBondContact O-N 2.74Å |
| 635 | F | 74.4 | Confident | 73.2 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.4 | -31.5 | 178.2 | -82.4 | -4.1 | 0 | 0 | 0 | 113.5 | I631 A632 D637 I638 Q639 I652 V655 L656 H666 | I631-F635 HydrophobicContact CG2-CD1 4.27Å; I631-F635 HydrophobicContact CG2-CE1 3.91Å; I631-F635 VanDerWaalsContact O-CD1 3.23Å; I631-F635 WeakPolarHBondContact O-CD1 3.49Å; I631-F635 PolarHBondContact O-N 3.05Å; A632-F635 VanDerWaalsContact CA-CD1 3.47Å; A632-F635 HydrophobicContact CB-CD1 4.46Å; A632-F635 HydrophobicContact CB-CD2 4.27Å; A632-F635 HydrophobicContact CB-CE1 4.17Å; A632-F635 HydrophobicContact CB-CE2 3.95Å; A632-F635 HydrophobicContact CB-CZ 3.91Å; A632-F635 WeakPolarHBondContact O-CB 3.25Å; A632-F635 WeakPolarHBondContact O-CG 3.36Å; A632-F635 PolarHBondContact O-N 2.93Å; A632-F635 VanDerWaalsContact O-N 3.09Å; F635-D637 PolarHBondContact O-N 3.17Å; F635-I638 HydrophobicContact CD1-CD1 4.29Å; F635-I638 PolarHBondContact O-N 2.75Å; F635-Q639 VanDerWaalsContact O-CB 3.28Å; F635-Q639 WeakPolarHBondContact O-CB 3.41Å; F635-Q639 PolarHBondContact O-N 3.26Å; F635-I652 HydrophobicContact CZ-CG2 4.46Å; F635-V655 HydrophobicContact CE1-CB 4.3Å; F635-V655 HydrophobicContact CE1-CG1 3.99Å; F635-V655 HydrophobicContact CZ-CB 4Å; F635-V655 HydrophobicContact CZ-CG1 3.57Å; F635-L656 HydrophobicContact CE2-CD1 4.29Å; F635-L656 HydrophobicContact CE2-CD2 3.67Å; F635-L656 HydrophobicContact CE2-CG 3.99Å; F635-L656 HydrophobicContact CZ-CD2 4.07Å; F635-L656 HydrophobicContact CZ-CG 4.14Å; F635-H666 HydrophobicContact CD2-CB 4.13Å; F635-H666 HydrophobicContact CE2-CB 4.44Å |
| 636 | I | 70.1 | Confident | 73.1 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 55% | 0.549 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.3 | -34.6 | 174.4 | -58.9 | 172.3 | 0 | 0 | 0 | 111.3 | R634 | R634-I636 PolarHBondContact O-N 3.36Å; R634-I636 VanDerWaalsContact O-N 3.17Å |
| 637 | D | 71 | Confident | 72.9 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.3 | -41.2 | -178 | -59.5 | -33.6 | 0 | 0 | 0 | 111.3 | Q579 R634 F635 Q639 | Q579-D637 PolarHBondContact NE2-OD1 3.38Å; Q579-D637 PolarHBondContact NE2-OD2 3.21Å; R634-D637 WeakPolarHBondContact CD-OD2 3.38Å; R634-D637 IonicContact NH1-OD2 3.32Å; R634-D637 VanDerWaalsContact O-CB 3.3Å; R634-D637 WeakPolarHBondContact O-CB 3.34Å; R634-D637 PolarHBondContact O-N 3.03Å; F635-D637 PolarHBondContact O-N 3.17Å; D637-Q639 VanDerWaalsContact C-N 3.34Å |
| 638 | I | 72.8 | Confident | 72.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -37.4 | 174.5 | -58.5 | 177.1 | 0 | 0 | 0 | 110.6 | F575 Y614 I631 R634 F635 R640 Q641 A648 I652 | F575-I638 HydrophobicContact CE1-CD1 4.06Å; F575-I638 HydrophobicContact CE1-CG1 3.93Å; F575-I638 HydrophobicContact CZ-CD1 4.49Å; Y614-I638 HydrophobicContact CE1-CG1 4.35Å; Y614-I638 HydrophobicContact CE1-CG2 3.82Å; I631-I638 HydrophobicContact CG2-CD1 3.82Å; R634-I638 PolarHBondContact O-N 2.74Å; F635-I638 HydrophobicContact CD1-CD1 4.29Å; F635-I638 PolarHBondContact O-N 2.75Å; I638-R640 PolarHBondContact O-N 2.92Å; I638-Q641 PolarHBondContact O-N 2.82Å; I638-A648 HydrophobicContact CG2-CB 3.85Å; I638-I652 HydrophobicContact CB-CD1 4.5Å; I638-I652 HydrophobicContact CG2-CD1 3.77Å; I638-I652 HydrophobicContact CG2-CG1 3.94Å |
| 639 | Q | 66.9 | Low | 71.7 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -32.4 | -176.8 | -166.4 | -172.8 | 36.4 | 0 | 0 | 113 | F635 D637 Q641 I642 K674 | F635-Q639 VanDerWaalsContact O-CB 3.28Å; F635-Q639 WeakPolarHBondContact O-CB 3.41Å; F635-Q639 PolarHBondContact O-N 3.26Å; D637-Q639 VanDerWaalsContact C-N 3.34Å; Q639-Q641 PolarHBondContact O-N 3.1Å; Q639-I642 HydrophobicContact CB-CD1 4.4Å; Q639-I642 HydrophobicContact CG-CD1 4.1Å; Q639-I642 PolarHBondContact O-N 2.86Å; Q639-K674 VanDerWaalsContact CD-CD 3.44Å; Q639-K674 VanDerWaalsContact CD-NZ 3.25Å; Q639-K674 HydrophobicContact CG-CD 3.94Å |
| 640 | R | 69.4 | Low | 71.4 | Confident | 165 Ų | 165 | 43.6 Ų | 43.6 | 62% | 0.623 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.8 | 178.6 | -66.6 | -180 | -176.7 | -175.9 | 1.2 | 113.4 | I638 | I638-R640 PolarHBondContact O-N 2.92Š|
| 641 | Q | 72.6 | Confident | 71.1 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 7.1 | -174.6 | -63.3 | -179.6 | -1.9 | 0 | 0 | 113.6 | L578 Y614 I638 Q639 G643 Y644 | L578-Q641 PolarHBondContact O-NE2 3.31Å; Y614-Q641 PolarHBondContact OH-OE1 2.81Å; I638-Q641 PolarHBondContact O-N 2.82Å; Q639-Q641 PolarHBondContact O-N 3.1Å; Q641-G643 PolarHBondContact O-N 3.31Å; Q641-Y644 HydrophobicContact CB-CD2 4.42Å; Q641-Y644 WeakPolarHBondContact O-CB 3.49Å; Q641-Y644 VanDerWaalsContact O-CD2 3.25Å; Q641-Y644 WeakPolarHBondContact O-CD2 3.45Å; Q641-Y644 PolarHBondContact O-N 3.36Å |
| 642 | I | 68.3 | Low | 70.6 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 135.9 | 172.4 | -62.5 | 174.9 | 0 | 0 | 0 | 109.1 | Q639 I652 F675 L678 | Q639-I642 HydrophobicContact CB-CD1 4.4Å; Q639-I642 HydrophobicContact CG-CD1 4.1Å; Q639-I642 PolarHBondContact O-N 2.86Å; I642-I652 HydrophobicContact CD1-CD1 3.77Å; I642-I652 HydrophobicContact CG1-CD1 4.26Å; I642-F675 HydrophobicContact CD1-CE2 4.25Å; I642-F675 HydrophobicContact CD1-CZ 4.1Å; I642-L678 HydrophobicContact CB-CD1 4.32Å; I642-L678 HydrophobicContact CG2-CD1 3.47Å; I642-L678 VanDerWaalsContact CG2-CD1 3.47Å |
| 643 | G | 62.2 | Low | 70.4 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -4.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q641 G645 | Q641-G643 PolarHBondContact O-N 3.31Å; G643-G645 VanDerWaalsContact C-N 3.27Å; G643-G645 PolarHBondContact O-N 3.47Å |
| 644 | Y | 68.1 | Low | 70.2 | Confident | 50 Ų | 50 | 39 Ų | 39 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -80.8 | -2.6 | 177.4 | -73.7 | -112.8 | 0 | 0 | 0 | 113.7 | F582 P595 L598 Q641 L646 | F582-Y644 HydrophobicContact CE1-CD1 4.36Å; F582-Y644 AromaticContact CE1-CE1 3.94Å; F582-Y644 HydrophobicContact CE1-CE1 3.94Å; P595-Y644 HydrophobicContact CB-CD1 3.73Å; P595-Y644 HydrophobicContact CB-CE1 4.01Å; P595-Y644 HydrophobicContact CB-CG 4.06Å; P595-Y644 HydrophobicContact CG-CE1 4.38Å; L598-Y644 HydrophobicContact CD1-CD1 3.81Å; Q641-Y644 HydrophobicContact CB-CD2 4.42Å; Q641-Y644 WeakPolarHBondContact O-CB 3.49Å; Q641-Y644 VanDerWaalsContact O-CD2 3.25Å; Q641-Y644 WeakPolarHBondContact O-CD2 3.45Å; Q641-Y644 PolarHBondContact O-N 3.36Å; Y644-L646 VanDerWaalsContact C-N 3.35Å |
| 645 | G | 67.1 | Low | 70 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 70.1 | 30.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q611 G643 | Q611-G645 PolarHBondContact NE2-O 3.47Å; G643-G645 VanDerWaalsContact C-N 3.27Å; G643-G645 PolarHBondContact O-N 3.47Å |
| 646 | L | 74.9 | Confident | 69.7 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -98.9 | 1.9 | -176.1 | -57.1 | 179.3 | 0 | 0 | 0 | 113.9 | L598 K607 F610 Y614 Y644 | L598-L646 HydrophobicContact CD1-CD1 4.42Å; L598-L646 HydrophobicContact CD1-CD2 4.34Å; K607-L646 HydrophobicContact CG-CD2 4.32Å; F610-L646 HydrophobicContact CB-CD1 4.16Å; F610-L646 HydrophobicContact CB-CD2 3.8Å; F610-L646 HydrophobicContact CB-CG 4.42Å; F610-L646 HydrophobicContact CD2-CD2 4.37Å; F610-L646 HydrophobicContact CG-CD1 4.46Å; Y614-L646 VanDerWaalsContact CB-O 3.27Å; Y614-L646 WeakPolarHBondContact CB-O 3.42Å; Y614-L646 HydrophobicContact CD2-CB 3.67Å; Y614-L646 WeakPolarHBondContact CD2-O 3.49Å; Y614-L646 HydrophobicContact CE2-CB 3.68Å; Y614-L646 HydrophobicContact CE2-CD1 4.17Å; Y644-L646 VanDerWaalsContact C-N 3.35Å |
| 647 | M | 70.7 | Confident | 69.4 | Low | 30 Ų | 30 | 34.6 Ų | 34.6 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 74 | 19.7 | -170.9 | -48.5 | 170.6 | 62.1 | 0 | 0 | 115.2 | L550 Q611 T615 T651 | L550-M647 HydrophobicContact CD2-SD 4.22Å; Q611-M647 HydrophobicContact CB-SD 4.49Å; T615-M647 PolarHBondContact OG1-SD 3.33Å; T615-M647 VanDerWaalsContact OG1-SD 3.4Å; M647-T651 WeakPolarHBondContact O-CB 3.34Å; M647-T651 PolarHBondContact O-N 3.26Å; M647-T651 VanDerWaalsContact O-N 3.14Å; M647-T651 PolarHBondContact O-OG1 2.96Å |
| 648 | A | 71.9 | Confident | 68.8 | Low | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Y614 I638 T651 I652 | Y614-A648 HydrophobicContact CD1-CB 4.32Å; Y614-A648 HydrophobicContact CE1-CB 3.8Å; Y614-A648 HydrophobicContact CE2-CB 4.29Å; I638-A648 HydrophobicContact CG2-CB 3.85Å; A648-T651 PolarHBondContact O-N 3.31Å; A648-I652 WeakPolarHBondContact O-CG1 3.49Å; A648-I652 PolarHBondContact O-N 2.9Å; A648-I652 VanDerWaalsContact O-N 3.13Å |
| 649 | E | 66.7 | Low | 68.5 | Low | 34 Ų | 34 | 38 Ų | 38 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -53.3 | 175.7 | 58.1 | -141.5 | -143 | 0 | 0 | 112.4 | T651 I652 T653 R686 | E649-T651 PolarHBondContact O-N 3.49Å; E649-I652 PolarHBondContact O-N 3.47Å; E649-I652 VanDerWaalsContact O-N 3.11Å; E649-T653 PolarHBondContact O-N 2.98Å; E649-T653 PolarHBondContact O-OG1 3.19Å; E649-R686 IonicContact OE1-CZ 2.74Å; E649-R686 IonicContact OE1-NH1 3.06Å; E649-R686 PolarHBondContact OE1-NH1 2.78Å |
| 650 | D | 70 | Confident | 68.4 | Low | 74 Ų | 74 | 39.1 Ų | 39.1 | 40% | 0.396 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.4 | -37.2 | 178.6 | -56.8 | -43.4 | 0 | 0 | 0 | 112.2 | A654 | D650-A654 VanDerWaalsContact O-CB 3.23Å; D650-A654 WeakPolarHBondContact O-CB 3.28Å; D650-A654 PolarHBondContact O-N 2.89Å |
| 651 | T | 73.7 | Confident | 68.1 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -42.2 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | Y614 L617 R618 M647 A648 E649 A654 V655 | Y614-T651 PolarHBondContact O-OG1 3.37Å; L617-T651 HydrophobicContact CB-CG2 3.91Å; R618-T651 HydrophobicContact CB-CG2 4.43Å; M647-T651 WeakPolarHBondContact O-CB 3.34Å; M647-T651 PolarHBondContact O-N 3.26Å; M647-T651 VanDerWaalsContact O-N 3.14Å; M647-T651 PolarHBondContact O-OG1 2.96Å; A648-T651 PolarHBondContact O-N 3.31Å; E649-T651 PolarHBondContact O-N 3.49Å; T651-A654 PolarHBondContact O-N 3.03Å; T651-V655 VanDerWaalsContact O-CG2 3.23Å; T651-V655 WeakPolarHBondContact O-CG2 3.48Å; T651-V655 PolarHBondContact O-N 3.45Å; T651-V655 VanDerWaalsContact O-N 3.13Å |
| 652 | I | 71.5 | Confident | 67.6 | Low | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 176.2 | -65.9 | 169.9 | 0 | 0 | 0 | 110 | F635 I638 I642 A648 E649 A654 V655 L656 Y690 | F635-I652 HydrophobicContact CZ-CG2 4.46Å; I638-I652 HydrophobicContact CB-CD1 4.5Å; I638-I652 HydrophobicContact CG2-CD1 3.77Å; I638-I652 HydrophobicContact CG2-CG1 3.94Å; I642-I652 HydrophobicContact CD1-CD1 3.77Å; I642-I652 HydrophobicContact CG1-CD1 4.26Å; A648-I652 WeakPolarHBondContact O-CG1 3.49Å; A648-I652 PolarHBondContact O-N 2.9Å; A648-I652 VanDerWaalsContact O-N 3.13Å; E649-I652 PolarHBondContact O-N 3.47Å; E649-I652 VanDerWaalsContact O-N 3.11Å; I652-A654 VanDerWaalsContact C-N 3.29Å; I652-A654 PolarHBondContact O-N 2.94Å; I652-V655 PolarHBondContact O-N 2.62Å; I652-V655 VanDerWaalsContact O-N 3.08Å; I652-L656 HydrophobicContact CG2-CD1 3.55Å; I652-L656 HydrophobicContact CG2-CG 4.12Å; I652-L656 WeakPolarHBondContact O-CB 3.2Å; I652-L656 PolarHBondContact O-N 3.02Å; I652-Y690 HydrophobicContact CG2-CE2 4.08Å; I652-Y690 WeakPolarHBondContact CG2-OH 3.38Å |
| 653 | T | 67.5 | Low | 67.3 | Low | 45 Ų | 45 | 35.8 Ų | 35.8 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.8 | -45.3 | 177.7 | -50.8 | 0 | 0 | 0 | 0 | 110.7 | E649 V655 L656 H657 L693 | E649-T653 PolarHBondContact O-N 2.98Å; E649-T653 PolarHBondContact O-OG1 3.19Å; T653-V655 VanDerWaalsContact C-N 3.29Å; T653-V655 PolarHBondContact O-N 3.37Å; T653-L656 PolarHBondContact O-N 2.93Å; T653-H657 WeakPolarHBondContact O-CB 3.45Å; T653-H657 PolarHBondContact O-N 3.31Å; T653-L693 HydrophobicContact CG2-CD1 4.06Å |
| 654 | A | 69.6 | Low | 67.4 | Low | 36 Ų | 36 | 37.9 Ų | 37.9 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.6 | -25 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R618 Q621 D650 T651 I652 | R618-A654 HydrophobicContact CG-CB 4.06Å; Q621-A654 VanDerWaalsContact NE2-C 3.32Å; Q621-A654 PolarHBondContact NE2-O 3.48Å; Q621-A654 PolarHBondContact OE1-O 3.21Å; D650-A654 VanDerWaalsContact O-CB 3.23Å; D650-A654 WeakPolarHBondContact O-CB 3.28Å; D650-A654 PolarHBondContact O-N 2.89Å; T651-A654 PolarHBondContact O-N 3.03Å; I652-A654 VanDerWaalsContact C-N 3.29Å; I652-A654 PolarHBondContact O-N 2.94Å |
| 655 | V | 71.4 | Confident | 67.3 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -82.7 | -40.1 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Q621 Q628 I631 F635 T651 I652 T653 L662 | Q621-V655 HydrophobicContact CB-CG2 4.15Å; Q621-V655 HydrophobicContact CG-CG2 3.53Å; Q628-V655 HydrophobicContact CB-CG1 4.04Å; Q628-V655 HydrophobicContact CG-CG1 4.32Å; I631-V655 HydrophobicContact CG2-CG2 4.24Å; F635-V655 HydrophobicContact CE1-CB 4.3Å; F635-V655 HydrophobicContact CE1-CG1 3.99Å; F635-V655 HydrophobicContact CZ-CB 4Å; F635-V655 HydrophobicContact CZ-CG1 3.57Å; T651-V655 VanDerWaalsContact O-CG2 3.23Å; T651-V655 WeakPolarHBondContact O-CG2 3.48Å; T651-V655 PolarHBondContact O-N 3.45Å; T651-V655 VanDerWaalsContact O-N 3.13Å; I652-V655 PolarHBondContact O-N 2.62Å; I652-V655 VanDerWaalsContact O-N 3.08Å; T653-V655 VanDerWaalsContact C-N 3.29Å; T653-V655 PolarHBondContact O-N 3.37Å; V655-L662 HydrophobicContact CG1-CD1 4.41Å |
| 656 | L | 66.7 | Low | 67.2 | Low | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81.1 | -19.3 | -176.9 | -71.7 | -179.1 | 0 | 0 | 0 | 113.3 | F635 I652 T653 D658 N659 L662 L663 V667 Y690 L694 | F635-L656 HydrophobicContact CE2-CD1 4.29Å; F635-L656 HydrophobicContact CE2-CD2 3.67Å; F635-L656 HydrophobicContact CE2-CG 3.99Å; F635-L656 HydrophobicContact CZ-CD2 4.07Å; F635-L656 HydrophobicContact CZ-CG 4.14Å; I652-L656 HydrophobicContact CG2-CD1 3.55Å; I652-L656 HydrophobicContact CG2-CG 4.12Å; I652-L656 WeakPolarHBondContact O-CB 3.2Å; I652-L656 PolarHBondContact O-N 3.02Å; T653-L656 PolarHBondContact O-N 2.93Å; L656-D658 PolarHBondContact O-N 3.27Å; L656-N659 PolarHBondContact O-N 3.33Å; L656-L662 HydrophobicContact CD2-CB 4.37Å; L656-L663 HydrophobicContact CB-CD2 3.84Å; L656-L663 HydrophobicContact CB-CG 4.26Å; L656-L663 HydrophobicContact CD1-CD2 3.78Å; L656-L663 HydrophobicContact CD2-CD2 3.68Å; L656-L663 HydrophobicContact CD2-CG 3.92Å; L656-L663 HydrophobicContact CG-CD2 3.96Å; L656-V667 HydrophobicContact CD1-CG2 4.32Å; L656-Y690 WeakPolarHBondContact CD1-OH 3.25Å; L656-L694 HydrophobicContact CD1-CD2 4Å |
| 657 | H | 64.3 | Low | 67 | Low | 139 Ų | 139 | 41 Ų | 41 | 64% | 0.644 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 124.2 | 179.9 | -169.3 | 48 | 0 | 0 | 0 | 111.8 | T653 N659 | T653-H657 WeakPolarHBondContact O-CB 3.45Å; T653-H657 PolarHBondContact O-N 3.31Å; H657-N659 VanDerWaalsContact C-N 3.31Å; H657-N659 PolarHBondContact O-N 3.49Å |
| 658 | D | 57.7 | Low | 66.8 | Low | 82 Ų | 82 | 45.5 Ų | 45.5 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 30.6 | 175.5 | -144.9 | 42.4 | 0 | 0 | 0 | 116 | L656 K698 | L656-D658 PolarHBondContact O-N 3.27Å; D658-K698 VanDerWaalsContact OD1-CA 3.24Å; D658-K698 WeakPolarHBondContact OD1-CA 3.4Å; D658-K698 WeakPolarHBondContact OD1-CG 3.46Å; D658-K698 PolarHBondContact OD1-N 2.79Å |
| 659 | N | 66.4 | Low | 66.8 | Low | 18 Ų | 18 | 50.9 Ų | 50.9 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | trans | -131 | 75.5 | -171.8 | -160.2 | -30.6 | 0 | 0 | 0 | 114.3 | R625 Q628 L656 H657 K661 L662 L663 | R625-N659 PolarHBondContact NH1-ND2 3.16Å; R625-N659 PolarHBondContact NH1-OD1 3.17Å; Q628-N659 PolarHBondContact OE1-ND2 3.23Å; Q628-N659 VanDerWaalsContact OE1-ND2 3.1Å; L656-N659 PolarHBondContact O-N 3.33Å; H657-N659 VanDerWaalsContact C-N 3.31Å; H657-N659 PolarHBondContact O-N 3.49Å; N659-K661 VanDerWaalsContact C-N 3.3Å; N659-K661 PolarHBondContact O-N 3.08Å; N659-L662 HydrophobicContact CB-CB 4.43Å; N659-L662 HydrophobicContact CB-CD1 4.43Å; N659-L662 WeakPolarHBondContact ND2-CD1 3.28Å; N659-L662 PolarHBondContact O-N 3.11Å; N659-L662 VanDerWaalsContact O-N 3.1Å; N659-L662 PolarHBondContact OD1-N 2.85Å; N659-L663 PolarHBondContact O-N 2.79Å; N659-L663 VanDerWaalsContact O-N 3.14Å | ||
| 660 | N | 65.9 | Low | 66.9 | Low | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -51.6 | -43.4 | -175.2 | -158.9 | 50.8 | 0 | 0 | 0 | 114 | L662 L663 E664 C697 N702 | N660-L662 PolarHBondContact O-N 3.29Å; N660-L663 PolarHBondContact O-N 3.16Å; N660-E664 PolarHBondContact ND2-OE1 3.41Å; N660-E664 WeakPolarHBondContact O-CG 3.5Å; N660-E664 PolarHBondContact O-N 2.75Å; N660-C697 HydrophobicContact CB-CB 4.36Å; N660-N702 PolarHBondContact OD1-ND2 2.74Å |
| 661 | K | 62.4 | Low | 66.9 | Low | 112 Ų | 112 | 49.8 Ų | 49.8 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | -178.6 | -74 | 179.5 | 178.8 | 171.3 | 0 | 113.1 | N659 T665 E1310 | N659-K661 VanDerWaalsContact C-N 3.3Å; N659-K661 PolarHBondContact O-N 3.08Å; K661-T665 WeakPolarHBondContact O-CB 3.49Å; K661-T665 WeakPolarHBondContact O-CG2 3.01Å; K661-T665 PolarHBondContact O-N 2.94Å; K661-T665 PolarHBondContact O-OG1 2.87Å; K661-E1310 IonicContact NZ-OE1 3.36Å; K661-E1310 PolarHBondContact NZ-OE1 3.18Å |
| 662 | L | 62.9 | Low | 66.8 | Low | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74 | -38.4 | 177.9 | -73.6 | 179.6 | 0 | 0 | 0 | 111.4 | Q628 V629 A632 V655 L656 N659 N660 T665 H666 | Q628-L662 HydrophobicContact CB-CD1 3.71Å; V629-L662 HydrophobicContact CB-CD2 4.45Å; V629-L662 HydrophobicContact CG2-CD2 3.8Å; A632-L662 HydrophobicContact CB-CD2 4.15Å; V655-L662 HydrophobicContact CG1-CD1 4.41Å; L656-L662 HydrophobicContact CD2-CB 4.37Å; N659-L662 HydrophobicContact CB-CB 4.43Å; N659-L662 HydrophobicContact CB-CD1 4.43Å; N659-L662 WeakPolarHBondContact ND2-CD1 3.28Å; N659-L662 PolarHBondContact O-N 3.11Å; N659-L662 VanDerWaalsContact O-N 3.1Å; N659-L662 PolarHBondContact OD1-N 2.85Å; N660-L662 PolarHBondContact O-N 3.29Å; L662-T665 WeakPolarHBondContact CA-OG1 3.5Å; L662-T665 PolarHBondContact O-N 2.88Å; L662-T665 PolarHBondContact O-OG1 3.17Å; L662-H666 WeakPolarHBondContact O-CB 2.98Å; L662-H666 PolarHBondContact O-CD2 3.39Å; L662-H666 PolarHBondContact O-N 2.94Å |
| 663 | L | 62.6 | Low | 67.1 | Low | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 176.7 | -81.5 | 167.8 | 0 | 0 | 0 | 110.9 | L656 N659 N660 T665 V667 L694 C697 I705 | L656-L663 HydrophobicContact CB-CD2 3.84Å; L656-L663 HydrophobicContact CB-CG 4.26Å; L656-L663 HydrophobicContact CD1-CD2 3.78Å; L656-L663 HydrophobicContact CD2-CD2 3.68Å; L656-L663 HydrophobicContact CD2-CG 3.92Å; L656-L663 HydrophobicContact CG-CD2 3.96Å; N659-L663 PolarHBondContact O-N 2.79Å; N659-L663 VanDerWaalsContact O-N 3.14Å; N660-L663 PolarHBondContact O-N 3.16Å; L663-T665 VanDerWaalsContact C-N 3.29Å; L663-T665 PolarHBondContact O-N 3.36Å; L663-V667 HydrophobicContact CD2-CG2 3.84Å; L663-V667 WeakPolarHBondContact O-CB 2.86Å; L663-V667 VanDerWaalsContact O-CG2 3.31Å; L663-V667 WeakPolarHBondContact O-CG2 3.32Å; L663-V667 PolarHBondContact O-N 3.28Å; L663-L694 HydrophobicContact CD2-CD2 3.32Å; L663-C697 WeakPolarHBondContact CD1-SG 3.4Å; L663-I705 HydrophobicContact CB-CD1 3.53Å; L663-I705 HydrophobicContact CD2-CD1 4.34Å; L663-I705 HydrophobicContact CG-CD1 4.45Å |
| 664 | E | 62.7 | Low | 67.3 | Low | 70 Ų | 70 | 55.3 Ų | 55.3 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -24.8 | -179.4 | -70.8 | 174.2 | -170.6 | 0 | 0 | 114.9 | N660 N702 | N660-E664 PolarHBondContact ND2-OE1 3.41Å; N660-E664 WeakPolarHBondContact O-CG 3.5Å; N660-E664 PolarHBondContact O-N 2.75Å; E664-N702 WeakPolarHBondContact CG-ND2 3.27Å; E664-N702 PolarHBondContact OE1-ND2 2.68Å |
| 665 | T | 66.3 | Low | 67.5 | Low | 90 Ų | 90 | 53.8 Ų | 53.8 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -93.4 | -30.7 | -175.8 | 45 | 0 | 0 | 0 | 0 | 113.3 | K661 L662 L663 | K661-T665 WeakPolarHBondContact O-CB 3.49Å; K661-T665 WeakPolarHBondContact O-CG2 3.01Å; K661-T665 PolarHBondContact O-N 2.94Å; K661-T665 PolarHBondContact O-OG1 2.87Å; L662-T665 WeakPolarHBondContact CA-OG1 3.5Å; L662-T665 PolarHBondContact O-N 2.88Å; L662-T665 PolarHBondContact O-OG1 3.17Å; L663-T665 VanDerWaalsContact C-N 3.29Å; L663-T665 PolarHBondContact O-N 3.36Å |
| 666 | H | 66 | Low | 67.7 | Low | 53 Ų | 53 | 54 Ų | 54 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -114.1 | -15.5 | -173.6 | -63 | -78.1 | 0 | 0 | 0 | 114.1 | A632 F635 L662 E668 | A632-H666 PolarHBondContact O-ND1 3.09Å; F635-H666 HydrophobicContact CD2-CB 4.13Å; F635-H666 HydrophobicContact CE2-CB 4.44Å; L662-H666 WeakPolarHBondContact O-CB 2.98Å; L662-H666 PolarHBondContact O-CD2 3.39Å; L662-H666 PolarHBondContact O-N 2.94Å; H666-E668 PolarHBondContact O-N 3.25Å |
| 667 | V | 69.2 | Low | 68 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | trans | -87.2 | 97.9 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L656 L663 H671 I672 L694 | L656-V667 HydrophobicContact CD1-CG2 4.32Å; L663-V667 HydrophobicContact CD2-CG2 3.84Å; L663-V667 WeakPolarHBondContact O-CB 2.86Å; L663-V667 VanDerWaalsContact O-CG2 3.31Å; L663-V667 WeakPolarHBondContact O-CG2 3.32Å; L663-V667 PolarHBondContact O-N 3.28Å; V667-H671 HydrophobicContact CG1-CB 4.45Å; V667-I672 HydrophobicContact CG1-CD1 4.34Å; V667-I672 HydrophobicContact CG1-CG1 4.37Å; V667-L694 HydrophobicContact CG1-CD1 4.5Å; V667-L694 HydrophobicContact CG2-CD2 4.36Å | ||
| 668 | E | 67.9 | Low | 68.4 | Low | 124 Ų | 124 | 53.5 Ų | 53.5 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | trans | -97.9 | 169 | 174.9 | -63.6 | -175.2 | 171.2 | 0 | 0 | 112.2 | H666 T670 H671 | H666-E668 PolarHBondContact O-N 3.25Å; E668-T670 PolarHBondContact O-N 3.48Å; E668-H671 WeakPolarHBondContact O-CB 3.36Å; E668-H671 PolarHBondContact O-N 3.3Å | ||
| 669 | K | 70.3 | Confident | 69.2 | Low | 114 Ų | 114 | 49.7 Ų | 49.7 | 50% | 0.496 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -50.8 | -41.9 | 177.3 | -166.9 | -165.5 | -179.3 | -151.4 | 0 | 112.9 | H671 I672 E673 L708 L712 | K669-H671 PolarHBondContact O-N 3.39Å; K669-I672 PolarHBondContact O-N 3.42Å; K669-E673 WeakPolarHBondContact CD-OE1 3.27Å; K669-E673 WeakPolarHBondContact CE-OE1 3.29Å; K669-E673 IonicContact NZ-OE1 2.73Å; K669-E673 PolarHBondContact NZ-OE1 3.02Å; K669-E673 WeakPolarHBondContact O-CG 3.26Å; K669-E673 PolarHBondContact O-N 3.2Å; K669-E673 VanDerWaalsContact O-N 3.08Å; K669-L708 HydrophobicContact CB-CD1 4.13Å; K669-L708 HydrophobicContact CG-CD1 4.14Å; K669-L712 HydrophobicContact CD-CD2 4.44Å; K669-L712 HydrophobicContact CG-CD1 3.85Å; K669-L712 HydrophobicContact CG-CD2 3.97Å; K669-L712 HydrophobicContact CG-CG 4.4Å |
| 670 | T | 70.1 | Confident | 69.8 | Low | 75 Ų | 75 | 53.3 Ų | 53.3 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -23.7 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 113 | E668 K674 | E668-T670 PolarHBondContact O-N 3.48Å; T670-K674 PolarHBondContact O-N 2.8Å |
| 671 | H | 69.5 | Low | 70 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -49.3 | 177.5 | -165.7 | -170.4 | 0 | 0 | 0 | 110.9 | V667 E668 K669 K674 F675 Y690 | V667-H671 HydrophobicContact CG1-CB 4.45Å; E668-H671 WeakPolarHBondContact O-CB 3.36Å; E668-H671 PolarHBondContact O-N 3.3Å; K669-H671 PolarHBondContact O-N 3.39Å; H671-K674 PolarHBondContact O-N 2.95Å; H671-F675 AromaticContact CD2-CD2 3.94Å; H671-F675 AromaticContact CD2-CE2 3.71Å; H671-F675 AromaticContact NE2-CE2 3.46Å; H671-F675 WeakPolarHBondContact NE2-CE2 3.46Å; H671-F675 WeakPolarHBondContact O-CD2 3.3Å; H671-F675 PolarHBondContact O-N 3.12Å; H671-Y690 PolarHBondContact CE1-OH 2.99Å |
| 672 | I | 72.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -39.1 | 179.9 | -64.3 | 160.2 | 0 | 0 | 0 | 110.7 | V667 K669 K674 F675 I676 L691 L708 I709 L712 | V667-I672 HydrophobicContact CG1-CD1 4.34Å; V667-I672 HydrophobicContact CG1-CG1 4.37Å; K669-I672 PolarHBondContact O-N 3.42Å; I672-K674 VanDerWaalsContact C-N 3.3Å; I672-K674 PolarHBondContact O-N 3.15Å; I672-F675 PolarHBondContact O-N 3.5Å; I672-F675 VanDerWaalsContact O-N 3.11Å; I672-I676 HydrophobicContact CG2-CD1 4.04Å; I672-I676 HydrophobicContact CG2-CG1 4.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.42Å; I672-I676 PolarHBondContact O-N 3.44Å; I672-L691 HydrophobicContact CG2-CD2 4.21Å; I672-L708 HydrophobicContact CD1-CB 4.16Å; I672-L708 HydrophobicContact CD1-CD2 3.55Å; I672-L708 HydrophobicContact CD1-CG 3.6Å; I672-I709 HydrophobicContact CD1-CG1 3.69Å; I672-I709 HydrophobicContact CG1-CG1 4.33Å; I672-L712 HydrophobicContact CB-CD1 3.55Å; I672-L712 HydrophobicContact CD1-CD1 4.14Å; I672-L712 HydrophobicContact CG1-CD1 4.47Å; I672-L712 HydrophobicContact CG2-CB 4Å; I672-L712 HydrophobicContact CG2-CD1 3.49Å; I672-L712 VanDerWaalsContact CG2-CD1 3.49Å; I672-L712 HydrophobicContact CG2-CG 4.41Å |
| 673 | E | 76.8 | Confident | 70.8 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -40.7 | 175.3 | -74.9 | 172.8 | 171.3 | 0 | 0 | 112.4 | K669 I676 E677 L712 | K669-E673 WeakPolarHBondContact CD-OE1 3.27Å; K669-E673 WeakPolarHBondContact CE-OE1 3.29Å; K669-E673 IonicContact NZ-OE1 2.73Å; K669-E673 PolarHBondContact NZ-OE1 3.02Å; K669-E673 WeakPolarHBondContact O-CG 3.26Å; K669-E673 PolarHBondContact O-N 3.2Å; K669-E673 VanDerWaalsContact O-N 3.08Å; E673-I676 WeakPolarHBondContact O-CB 3.15Å; E673-I676 PolarHBondContact O-N 3.25Å; E673-E677 PolarHBondContact O-N 3.02Å; E673-L712 HydrophobicContact CG-CD1 4.43Å; E673-L712 HydrophobicContact CG-CD2 4.09Å |
| 674 | K | 72.1 | Confident | 71.1 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 175.3 | -92.7 | 165.3 | 176 | 177.4 | 0 | 113.5 | Q639 T670 H671 I672 I676 E677 L678 | Q639-K674 VanDerWaalsContact CD-CD 3.44Å; Q639-K674 VanDerWaalsContact CD-NZ 3.25Å; Q639-K674 HydrophobicContact CG-CD 3.94Å; T670-K674 PolarHBondContact O-N 2.8Å; H671-K674 PolarHBondContact O-N 2.95Å; I672-K674 VanDerWaalsContact C-N 3.3Å; I672-K674 PolarHBondContact O-N 3.15Å; K674-I676 VanDerWaalsContact C-N 3.32Å; K674-E677 PolarHBondContact O-N 3.27Å; K674-L678 WeakPolarHBondContact O-CG 3.32Å; K674-L678 PolarHBondContact O-N 3.35Å |
| 675 | F | 73.4 | Confident | 71.5 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 173.5 | -87.9 | -80.9 | 0 | 0 | 0 | 111.4 | I642 H671 I672 E677 L678 V679 F687 Y690 L691 | I642-F675 HydrophobicContact CD1-CE2 4.25Å; I642-F675 HydrophobicContact CD1-CZ 4.1Å; H671-F675 AromaticContact CD2-CD2 3.94Å; H671-F675 AromaticContact CD2-CE2 3.71Å; H671-F675 AromaticContact NE2-CE2 3.46Å; H671-F675 WeakPolarHBondContact NE2-CE2 3.46Å; H671-F675 WeakPolarHBondContact O-CD2 3.3Å; H671-F675 PolarHBondContact O-N 3.12Å; I672-F675 PolarHBondContact O-N 3.5Å; I672-F675 VanDerWaalsContact O-N 3.11Å; F675-E677 VanDerWaalsContact C-N 3.33Å; F675-E677 PolarHBondContact O-N 3.11Å; F675-L678 HydrophobicContact CD1-CD1 4.39Å; F675-L678 PolarHBondContact O-N 3.06Å; F675-V679 VanDerWaalsContact O-CG2 3.27Å; F675-V679 WeakPolarHBondContact O-CG2 3.34Å; F675-V679 PolarHBondContact O-N 2.97Å; F675-F687 HydrophobicContact CD1-CB 4.48Å; F675-F687 HydrophobicContact CD1-CD1 4.1Å; F675-F687 HydrophobicContact CE1-CD1 4.13Å; F675-Y690 AromaticContact CD1-CD1 3.89Å; F675-Y690 HydrophobicContact CD1-CD1 3.89Å; F675-Y690 HydrophobicContact CD1-CE1 4.41Å; F675-Y690 HydrophobicContact CD2-CD1 4.04Å; F675-Y690 AromaticContact CD2-CE1 3.8Å; F675-Y690 HydrophobicContact CD2-CE1 3.8Å; F675-Y690 AromaticContact CE1-CD1 3.52Å; F675-Y690 HydrophobicContact CE1-CD1 3.52Å; F675-Y690 AromaticContact CE1-CE1 3.91Å; F675-Y690 HydrophobicContact CE1-CE1 3.91Å; F675-Y690 AromaticContact CE1-CG 3.92Å; F675-Y690 HydrophobicContact CE1-CG 3.92Å; F675-Y690 AromaticContact CE2-CD1 3.7Å; F675-Y690 HydrophobicContact CE2-CD1 3.7Å; F675-Y690 AromaticContact CE2-CE1 3.22Å; F675-Y690 HydrophobicContact CE2-CE1 3.22Å; F675-Y690 AromaticContact CE2-CZ 3.89Å; F675-Y690 HydrophobicContact CG-CD1 4.14Å; F675-Y690 HydrophobicContact CG-CE1 4.37Å; F675-Y690 AromaticContact CZ-CD1 3.42Å; F675-Y690 HydrophobicContact CZ-CD1 3.42Å; F675-Y690 VanDerWaalsContact CZ-CD1 3.42Å; F675-Y690 HydrophobicContact CZ-CD2 4.4Å; F675-Y690 AromaticContact CZ-CE1 3.28Å; F675-Y690 HydrophobicContact CZ-CE1 3.28Å; F675-Y690 HydrophobicContact CZ-CE2 4.3Å; F675-Y690 AromaticContact CZ-CG 4Å; F675-Y690 HydrophobicContact CZ-CG 4Å; F675-Y690 AromaticContact CZ-CZ 3.77Å; F675-L691 HydrophobicContact CB-CD2 4.3Å |
| 676 | I | 76.3 | Confident | 71.8 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 172 | -67.8 | 167.7 | 0 | 0 | 0 | 110.8 | I672 E673 K674 L678 V679 R680 L712 V713 I721 | I672-I676 HydrophobicContact CG2-CD1 4.04Å; I672-I676 HydrophobicContact CG2-CG1 4.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.42Å; I672-I676 PolarHBondContact O-N 3.44Å; E673-I676 WeakPolarHBondContact O-CB 3.15Å; E673-I676 PolarHBondContact O-N 3.25Å; K674-I676 VanDerWaalsContact C-N 3.32Å; I676-L678 PolarHBondContact O-N 3.46Å; I676-V679 PolarHBondContact O-N 3.09Å; I676-R680 WeakPolarHBondContact O-CB 3.39Å; I676-R680 PolarHBondContact O-N 3.44Å; I676-L712 HydrophobicContact CD1-CB 3.84Å; I676-V713 HydrophobicContact CD1-CG2 4.24Å; I676-V713 HydrophobicContact CG1-CG2 4.46Å; I676-I721 HydrophobicContact CG1-CD1 4.34Å; I676-I721 HydrophobicContact CG2-CD1 3.94Å; I676-I721 HydrophobicContact CG2-CG2 4.43Å |
| 677 | E | 73.5 | Confident | 72.2 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 174 | -74.2 | -172.3 | 176.5 | 0 | 0 | 113.5 | E673 K674 F675 R680 K681 | E673-E677 PolarHBondContact O-N 3.02Å; K674-E677 PolarHBondContact O-N 3.27Å; F675-E677 VanDerWaalsContact C-N 3.33Å; F675-E677 PolarHBondContact O-N 3.11Å; E677-R680 PolarHBondContact O-N 3.42Å; E677-K681 WeakPolarHBondContact O-CG 3.08Å; E677-K681 PolarHBondContact O-N 3.44Å |
| 678 | L | 72.3 | Confident | 72.5 | Confident | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 176.4 | -72.6 | 169.7 | 0 | 0 | 0 | 111.9 | I642 K674 F675 I676 R680 K681 N682 F687 | I642-L678 HydrophobicContact CB-CD1 4.32Å; I642-L678 HydrophobicContact CG2-CD1 3.47Å; I642-L678 VanDerWaalsContact CG2-CD1 3.47Å; K674-L678 WeakPolarHBondContact O-CG 3.32Å; K674-L678 PolarHBondContact O-N 3.35Å; F675-L678 HydrophobicContact CD1-CD1 4.39Å; F675-L678 PolarHBondContact O-N 3.06Å; I676-L678 PolarHBondContact O-N 3.46Å; L678-R680 VanDerWaalsContact C-N 3.31Å; L678-R680 PolarHBondContact O-N 2.99Å; L678-K681 PolarHBondContact O-N 3.36Å; L678-N682 PolarHBondContact O-N 2.99Å; L678-F687 HydrophobicContact CB-CD1 4.35Å; L678-F687 HydrophobicContact CB-CE1 4.32Å; L678-F687 HydrophobicContact CB-CG 4.47Å; L678-F687 HydrophobicContact CB-CZ 4.41Å; L678-F687 HydrophobicContact CD1-CE1 4.28Å |
| 679 | V | 74.8 | Confident | 72.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | F675 I676 K681 R683 F687 L688 I721 Y768 | F675-V679 VanDerWaalsContact O-CG2 3.27Å; F675-V679 WeakPolarHBondContact O-CG2 3.34Å; F675-V679 PolarHBondContact O-N 2.97Å; I676-V679 PolarHBondContact O-N 3.09Å; V679-K681 PolarHBondContact O-N 3.16Å; V679-R683 VanDerWaalsContact O-CA 3.27Å; V679-R683 WeakPolarHBondContact O-CA 3.47Å; V679-R683 PolarHBondContact O-N 2.82Å; V679-F687 HydrophobicContact CG2-CB 3.52Å; V679-F687 HydrophobicContact CG2-CG 4.39Å; V679-L688 HydrophobicContact CG1-CD2 4.48Å; V679-L688 HydrophobicContact CG2-CD2 4.27Å; V679-I721 HydrophobicContact CG1-CB 3.92Å; V679-I721 HydrophobicContact CG1-CG2 4.32Å; V679-Y768 HydrophobicContact CG1-CE2 4.46Å; V679-Y768 WeakPolarHBondContact CG1-OH 3.38Å |
| 680 | R | 78.5 | Confident | 72.7 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 179 | -174.3 | 178.1 | -72.1 | 125.6 | 1.3 | 113.1 | I676 E677 L678 N718 D720 I721 | I676-R680 WeakPolarHBondContact O-CB 3.39Å; I676-R680 PolarHBondContact O-N 3.44Å; E677-R680 PolarHBondContact O-N 3.42Å; L678-R680 VanDerWaalsContact C-N 3.31Å; L678-R680 PolarHBondContact O-N 2.99Å; R680-N718 PolarHBondContact NH2-OD1 3.33Å; R680-D720 IonicContact CZ-OD1 3.02Å; R680-D720 IonicContact CZ-OD2 3.86Å; R680-D720 IonicContact NE-OD1 3.55Å; R680-D720 IonicContact NE-OD2 3.77Å; R680-D720 PolarHBondContact NE-OD2 3.36Å; R680-D720 IonicContact NH2-OD1 3.61Å; R680-D720 PolarHBondContact NH2-OD1 3.33Å; R680-D720 IonicContact NH2-OD2 3.04Å; R680-I721 HydrophobicContact CB-CG2 4.18Å |
| 681 | K | 70.3 | Confident | 73 | Confident | 160 Ų | 160 | 49.2 Ų | 49.2 | 70% | 0.696 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -77.4 | -43.8 | -178.7 | -77 | 178.1 | -178.9 | 170.1 | 0 | 113.7 | E677 L678 V679 | E677-K681 WeakPolarHBondContact O-CG 3.08Å; E677-K681 PolarHBondContact O-N 3.44Å; L678-K681 PolarHBondContact O-N 3.36Å; V679-K681 PolarHBondContact O-N 3.16Å |
| 682 | N | 68.2 | Low | 73.3 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -101.6 | -23.1 | -170.3 | -67.1 | -8.3 | 0 | 0 | 0 | 113.4 | L678 E684 F687 | L678-N682 PolarHBondContact O-N 2.99Å; N682-E684 HydrophobicContact CB-CG 4.05Å; N682-E684 PolarHBondContact O-N 2.85Å; N682-F687 HydrophobicContact CB-CE2 3.92Å |
| 683 | R | 72.9 | Confident | 73.2 | Confident | 133 Ų | 133 | 54 Ų | 54 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | trans | 49.1 | 36.2 | -172.6 | -63.2 | -172.6 | 177.9 | -173.9 | -1.9 | 113.9 | V679 | V679-R683 VanDerWaalsContact O-CA 3.27Å; V679-R683 WeakPolarHBondContact O-CA 3.47Å; V679-R683 PolarHBondContact O-N 2.82Å | ||
| 684 | E | 70.5 | Confident | 73 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | trans | -98.1 | 131.4 | 178.9 | -67.1 | 170.1 | 161.5 | 0 | 0 | 111.2 | N682 R686 F687 | N682-E684 HydrophobicContact CB-CG 4.05Å; N682-E684 PolarHBondContact O-N 2.85Å; E684-R686 HydrophobicContact CB-CG 4.1Å; E684-R686 PolarHBondContact O-N 3.36Å; E684-R686 VanDerWaalsContact O-N 3.13Å; E684-R686 IonicContact OE1-NH2 3.59Å; E684-R686 IonicContact OE2-CZ 3.29Å; E684-R686 IonicContact OE2-NE 2.97Å; E684-R686 PolarHBondContact OE2-NE 3.41Å; E684-R686 IonicContact OE2-NH2 2.78Å; E684-R686 PolarHBondContact OE2-NH2 2.82Å; E684-F687 HydrophobicContact CB-CD2 4.06Å; E684-F687 HydrophobicContact CB-CE2 3.94Å; E684-F687 WeakPolarHBondContact O-CD2 3.46Å; E684-F687 PolarHBondContact O-N 2.7Å; E684-F687 VanDerWaalsContact OE2-CE2 3.23Å; E684-F687 WeakPolarHBondContact OE2-CE2 3.29Å | ||
| 685 | G | 69.7 | Low | 72.9 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F687 L688 D689 R771 | G685-F687 PolarHBondContact O-N 2.61Å; G685-L688 WeakPolarHBondContact O-CB 3.25Å; G685-L688 PolarHBondContact O-N 3.32Å; G685-D689 PolarHBondContact O-N 3.09Å; G685-R771 VanDerWaalsContact C-NH1 3.34Å; G685-R771 WeakPolarHBondContact O-CD 3.45Å |
| 686 | R | 72.5 | Confident | 72.5 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.2 | -28.1 | -178.7 | 64.8 | 175.1 | 171.6 | 169.7 | -12.2 | 114.1 | E649 E684 L688 Y690 R771 | E649-R686 IonicContact OE1-CZ 2.74Å; E649-R686 IonicContact OE1-NH1 3.06Å; E649-R686 PolarHBondContact OE1-NH1 2.78Å; E684-R686 HydrophobicContact CB-CG 4.1Å; E684-R686 PolarHBondContact O-N 3.36Å; E684-R686 VanDerWaalsContact O-N 3.13Å; E684-R686 IonicContact OE1-NH2 3.59Å; E684-R686 IonicContact OE2-CZ 3.29Å; E684-R686 IonicContact OE2-NE 2.97Å; E684-R686 PolarHBondContact OE2-NE 3.41Å; E684-R686 IonicContact OE2-NH2 2.78Å; E684-R686 PolarHBondContact OE2-NH2 2.82Å; R686-L688 VanDerWaalsContact C-N 3.33Å; R686-Y690 PolarHBondContact O-N 3.01Å; R686-R771 VanDerWaalsContact CA-NH1 3.33Å; R686-R771 VanDerWaalsContact N-NH1 3.1Å |
| 687 | F | 74.2 | Confident | 71.6 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.6 | -26.2 | 177.6 | -59.5 | -64.3 | 0 | 0 | 0 | 111.8 | F675 L678 V679 N682 E684 G685 L691 | F675-F687 HydrophobicContact CD1-CB 4.48Å; F675-F687 HydrophobicContact CD1-CD1 4.1Å; F675-F687 HydrophobicContact CE1-CD1 4.13Å; L678-F687 HydrophobicContact CB-CD1 4.35Å; L678-F687 HydrophobicContact CB-CE1 4.32Å; L678-F687 HydrophobicContact CB-CG 4.47Å; L678-F687 HydrophobicContact CB-CZ 4.41Å; L678-F687 HydrophobicContact CD1-CE1 4.28Å; V679-F687 HydrophobicContact CG2-CB 3.52Å; V679-F687 HydrophobicContact CG2-CG 4.39Å; N682-F687 HydrophobicContact CB-CE2 3.92Å; E684-F687 HydrophobicContact CB-CD2 4.06Å; E684-F687 HydrophobicContact CB-CE2 3.94Å; E684-F687 WeakPolarHBondContact O-CD2 3.46Å; E684-F687 PolarHBondContact O-N 2.7Å; E684-F687 VanDerWaalsContact OE2-CE2 3.23Å; E684-F687 WeakPolarHBondContact OE2-CE2 3.29Å; G685-F687 PolarHBondContact O-N 2.61Å; F687-L691 PolarHBondContact O-N 3.04Å |
| 688 | L | 76.1 | Confident | 70.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -41.8 | 171.9 | -60.1 | -179.9 | 0 | 0 | 0 | 110.5 | V679 G685 R686 Y690 L691 T692 Y768 R771 Q772 L775 | V679-L688 HydrophobicContact CG1-CD2 4.48Å; V679-L688 HydrophobicContact CG2-CD2 4.27Å; G685-L688 WeakPolarHBondContact O-CB 3.25Å; G685-L688 PolarHBondContact O-N 3.32Å; R686-L688 VanDerWaalsContact C-N 3.33Å; L688-Y690 PolarHBondContact O-N 3.46Å; L688-L691 HydrophobicContact CD2-CD1 4.48Å; L688-L691 CarbonylContact O-C 3.57Å; L688-L691 WeakPolarHBondContact O-CA 3.32Å; L688-L691 WeakPolarHBondContact O-CB 3.39Å; L688-L691 PolarHBondContact O-N 2.59Å; L688-T692 PolarHBondContact O-N 2.89Å; L688-T692 PolarHBondContact O-OG1 2.9Å; L688-Y768 HydrophobicContact CD1-CD1 4.43Å; L688-Y768 HydrophobicContact CD1-CD2 4.36Å; L688-Y768 HydrophobicContact CD1-CE1 4Å; L688-Y768 HydrophobicContact CD1-CE2 3.91Å; L688-Y768 HydrophobicContact CG-CE2 4.44Å; L688-R771 HydrophobicContact CB-CB 4.3Å; L688-R771 HydrophobicContact CD1-CB 4.42Å; L688-Q772 HydrophobicContact CD1-CB 4.16Å; L688-L775 HydrophobicContact CD2-CD2 4.05Å |
| 689 | D | 70.5 | Confident | 70.1 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.7 | -38.5 | 176.4 | -60.3 | -35.4 | 0 | 0 | 0 | 112.1 | G685 T692 L693 R771 | G685-D689 PolarHBondContact O-N 3.09Å; D689-T692 WeakPolarHBondContact O-CB 3.37Å; D689-T692 PolarHBondContact O-N 3.11Å; D689-L693 WeakPolarHBondContact O-CB 3.23Å; D689-L693 WeakPolarHBondContact O-CG 3.47Å; D689-L693 PolarHBondContact O-N 2.89Å; D689-R771 VanDerWaalsContact OD1-CD 3.29Å; D689-R771 WeakPolarHBondContact OD1-CD 3.49Å; D689-R771 VanDerWaalsContact OD1-CG 3.25Å; D689-R771 WeakPolarHBondContact OD1-CG 3.41Å; D689-R771 IonicContact OD1-NE 3.52Å; D689-R771 WeakPolarHBondContact OD2-CD 3.44Å; D689-R771 IonicContact OD2-CZ 2.7Å; D689-R771 VanDerWaalsContact OD2-CZ 3.26Å; D689-R771 IonicContact OD2-NE 3.6Å; D689-R771 PolarHBondContact OD2-NE 2.95Å; D689-R771 IonicContact OD2-NH1 3.33Å; D689-R771 PolarHBondContact OD2-NH1 3.1Å |
| 690 | Y | 72.2 | Confident | 69.4 | Low | 13 Ų | 13 | 61.4 Ų | 61.4 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.4 | -177.1 | -95.8 | 0 | 0 | 0 | 111.7 | I652 L656 H671 F675 R686 L688 T692 L693 L694 | I652-Y690 HydrophobicContact CG2-CE2 4.08Å; I652-Y690 WeakPolarHBondContact CG2-OH 3.38Å; L656-Y690 WeakPolarHBondContact CD1-OH 3.25Å; H671-Y690 PolarHBondContact CE1-OH 2.99Å; F675-Y690 AromaticContact CD1-CD1 3.89Å; F675-Y690 HydrophobicContact CD1-CD1 3.89Å; F675-Y690 HydrophobicContact CD1-CE1 4.41Å; F675-Y690 HydrophobicContact CD2-CD1 4.04Å; F675-Y690 AromaticContact CD2-CE1 3.8Å; F675-Y690 HydrophobicContact CD2-CE1 3.8Å; F675-Y690 AromaticContact CE1-CD1 3.52Å; F675-Y690 HydrophobicContact CE1-CD1 3.52Å; F675-Y690 AromaticContact CE1-CE1 3.91Å; F675-Y690 HydrophobicContact CE1-CE1 3.91Å; F675-Y690 AromaticContact CE1-CG 3.92Å; F675-Y690 HydrophobicContact CE1-CG 3.92Å; F675-Y690 AromaticContact CE2-CD1 3.7Å; F675-Y690 HydrophobicContact CE2-CD1 3.7Å; F675-Y690 AromaticContact CE2-CE1 3.22Å; F675-Y690 HydrophobicContact CE2-CE1 3.22Å; F675-Y690 AromaticContact CE2-CZ 3.89Å; F675-Y690 HydrophobicContact CG-CD1 4.14Å; F675-Y690 HydrophobicContact CG-CE1 4.37Å; F675-Y690 AromaticContact CZ-CD1 3.42Å; F675-Y690 HydrophobicContact CZ-CD1 3.42Å; F675-Y690 VanDerWaalsContact CZ-CD1 3.42Å; F675-Y690 HydrophobicContact CZ-CD2 4.4Å; F675-Y690 AromaticContact CZ-CE1 3.28Å; F675-Y690 HydrophobicContact CZ-CE1 3.28Å; F675-Y690 HydrophobicContact CZ-CE2 4.3Å; F675-Y690 AromaticContact CZ-CG 4Å; F675-Y690 HydrophobicContact CZ-CG 4Å; F675-Y690 AromaticContact CZ-CZ 3.77Å; R686-Y690 PolarHBondContact O-N 3.01Å; L688-Y690 PolarHBondContact O-N 3.46Å; Y690-T692 VanDerWaalsContact C-N 3.33Å; Y690-T692 PolarHBondContact O-N 3.12Å; Y690-L693 PolarHBondContact O-N 3.3Å; Y690-L694 HydrophobicContact CD1-CD1 4.04Å; Y690-L694 HydrophobicContact CD1-CG 4.42Å; Y690-L694 HydrophobicContact CE1-CD1 3.6Å; Y690-L694 HydrophobicContact CE1-CD2 4.38Å; Y690-L694 HydrophobicContact CE1-CG 4.09Å; Y690-L694 WeakPolarHBondContact O-CG 3.1Å; Y690-L694 PolarHBondContact O-N 3.34Å; Y690-L694 VanDerWaalsContact O-N 3.16Å |
| 691 | L | 77.5 | Confident | 68.6 | Low | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 174.9 | -64.9 | 174.7 | 0 | 0 | 0 | 111.6 | I672 F675 F687 L688 L693 L694 C695 V713 L775 | I672-L691 HydrophobicContact CG2-CD2 4.21Å; F675-L691 HydrophobicContact CB-CD2 4.3Å; F687-L691 PolarHBondContact O-N 3.04Å; L688-L691 HydrophobicContact CD2-CD1 4.48Å; L688-L691 CarbonylContact O-C 3.57Å; L688-L691 WeakPolarHBondContact O-CA 3.32Å; L688-L691 WeakPolarHBondContact O-CB 3.39Å; L688-L691 PolarHBondContact O-N 2.59Å; L691-L693 VanDerWaalsContact C-N 3.34Å; L691-L693 PolarHBondContact O-N 2.79Å; L691-L694 HydrophobicContact CD2-CD1 4.39Å; L691-L694 WeakPolarHBondContact O-CB 3.31Å; L691-L694 PolarHBondContact O-N 3.17Å; L691-L694 VanDerWaalsContact O-N 3.17Å; L691-C695 PolarHBondContact O-N 3.19Å; L691-V713 HydrophobicContact CD1-CG2 4.18Å; L691-L775 HydrophobicContact CB-CD1 3.95Å; L691-L775 HydrophobicContact CB-CD2 4.39Å; L691-L775 HydrophobicContact CD1-CD2 4.46Å |
| 692 | T | 74.2 | Confident | 68.6 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | L688 D689 Y690 L694 C695 L775 Q778 | L688-T692 PolarHBondContact O-N 2.89Å; L688-T692 PolarHBondContact O-OG1 2.9Å; D689-T692 WeakPolarHBondContact O-CB 3.37Å; D689-T692 PolarHBondContact O-N 3.11Å; Y690-T692 VanDerWaalsContact C-N 3.33Å; Y690-T692 PolarHBondContact O-N 3.12Å; T692-L694 VanDerWaalsContact C-N 3.31Å; T692-L694 PolarHBondContact O-N 2.99Å; T692-C695 WeakPolarHBondContact O-CB 3.22Å; T692-C695 PolarHBondContact O-N 3.12Å; T692-L775 WeakPolarHBondContact OG1-CA 3.22Å; T692-L775 WeakPolarHBondContact OG1-CB 3.27Å; T692-Q778 HydrophobicContact CG2-CB 4.06Å; T692-Q778 HydrophobicContact CG2-CG 3.54Å |
| 693 | L | 71 | Confident | 68.8 | Low | 93 Ų | 93 | 51.8 Ų | 51.8 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.7 | -28.4 | 176.6 | -75.9 | 163.4 | 0 | 0 | 0 | 113.2 | T653 D689 Y690 L691 C695 | T653-L693 HydrophobicContact CG2-CD1 4.06Å; D689-L693 WeakPolarHBondContact O-CB 3.23Å; D689-L693 WeakPolarHBondContact O-CG 3.47Å; D689-L693 PolarHBondContact O-N 2.89Å; Y690-L693 PolarHBondContact O-N 3.3Å; L691-L693 VanDerWaalsContact C-N 3.34Å; L691-L693 PolarHBondContact O-N 2.79Å; L693-C695 VanDerWaalsContact C-N 3.34Å |
| 694 | L | 72.4 | Confident | 68.6 | Low | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.7 | -26.6 | 176.4 | -68.9 | 178.4 | 0 | 0 | 0 | 112.8 | L656 L663 V667 Y690 L691 T692 V696 I705 I709 | L656-L694 HydrophobicContact CD1-CD2 4Å; L663-L694 HydrophobicContact CD2-CD2 3.32Å; V667-L694 HydrophobicContact CG1-CD1 4.5Å; V667-L694 HydrophobicContact CG2-CD2 4.36Å; Y690-L694 HydrophobicContact CD1-CD1 4.04Å; Y690-L694 HydrophobicContact CD1-CG 4.42Å; Y690-L694 HydrophobicContact CE1-CD1 3.6Å; Y690-L694 HydrophobicContact CE1-CD2 4.38Å; Y690-L694 HydrophobicContact CE1-CG 4.09Å; Y690-L694 WeakPolarHBondContact O-CG 3.1Å; Y690-L694 PolarHBondContact O-N 3.34Å; Y690-L694 VanDerWaalsContact O-N 3.16Å; L691-L694 HydrophobicContact CD2-CD1 4.39Å; L691-L694 WeakPolarHBondContact O-CB 3.31Å; L691-L694 PolarHBondContact O-N 3.17Å; L691-L694 VanDerWaalsContact O-N 3.17Å; T692-L694 VanDerWaalsContact C-N 3.31Å; T692-L694 PolarHBondContact O-N 2.99Å; L694-V696 VanDerWaalsContact C-N 3.27Å; L694-V696 PolarHBondContact O-N 2.66Å; L694-I705 HydrophobicContact CB-CG2 4.03Å; L694-I705 WeakPolarHBondContact O-CG2 3.4Å; L694-I709 HydrophobicContact CB-CD1 3.95Å |
| 695 | C | 70.7 | Confident | 68.8 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -26.1 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 112.8 | L691 T692 L693 N702 Q706 Q778 | L691-C695 PolarHBondContact O-N 3.19Å; T692-C695 WeakPolarHBondContact O-CB 3.22Å; T692-C695 PolarHBondContact O-N 3.12Å; L693-C695 VanDerWaalsContact C-N 3.34Å; C695-N702 PolarHBondContact O-N 3.29Å; C695-Q706 HydrophobicContact CB-CG 3.78Å; C695-Q778 HydrophobicContact CB-CB 4.11Å |
| 696 | V | 64.5 | Low | 69.2 | Low | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.8 | -170.2 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | L694 E700 Q778 L781 | L694-V696 VanDerWaalsContact C-N 3.27Å; L694-V696 PolarHBondContact O-N 2.66Å; V696-E700 WeakPolarHBondContact CA-O 3.32Å; V696-Q778 HydrophobicContact CG2-CB 4.37Å; V696-Q778 HydrophobicContact CG2-CG 4.22Å; V696-L781 HydrophobicContact CG2-CD2 4.1Å |
| 697 | C | 56.5 | Low | 69.3 | Low | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.4 | 170.9 | -74.9 | 0 | 0 | 0 | 0 | 109.1 | N660 L663 N699 E700 | N660-C697 HydrophobicContact CB-CB 4.36Å; L663-C697 WeakPolarHBondContact CD1-SG 3.4Å; C697-N699 PolarHBondContact O-N 2.89Å; C697-E700 PolarHBondContact N-O 2.8Å; C697-E700 CarbonylContact O-C 3.55Å; C697-E700 WeakPolarHBondContact O-CA 3.49Å; C697-E700 PolarHBondContact O-N 2.83Å |
| 698 | K | 55.1 | Low | 69.4 | Low | 145 Ų | 145 | 48.2 Ų | 48.2 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.7 | -178.7 | -61 | -177.6 | 173.8 | -171.6 | 0 | 114.6 | D658 E700 | D658-K698 VanDerWaalsContact OD1-CA 3.24Å; D658-K698 WeakPolarHBondContact OD1-CA 3.4Å; D658-K698 WeakPolarHBondContact OD1-CG 3.46Å; D658-K698 PolarHBondContact OD1-N 2.79Å; K698-E700 PolarHBondContact O-N 3.11Å |
| 699 | N | 60.2 | Low | 69.6 | Low | 147 Ų | 147 | 48.1 Ų | 48.1 | 79% | 0.786 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.3 | -170.2 | -63.9 | -13.7 | 0 | 0 | 0 | 115.1 | C697 | C697-N699 PolarHBondContact O-N 2.89Š|
| 700 | E | 60.4 | Low | 70.1 | Confident | 121 Ų | 121 | 45.7 Ų | 45.7 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 145.7 | 171.8 | -66.7 | -178.8 | 170 | 0 | 0 | 109.9 | V696 C697 K698 N702 | V696-E700 WeakPolarHBondContact CA-O 3.32Å; C697-E700 PolarHBondContact N-O 2.8Å; C697-E700 CarbonylContact O-C 3.55Å; C697-E700 WeakPolarHBondContact O-CA 3.49Å; C697-E700 PolarHBondContact O-N 2.83Å; K698-E700 PolarHBondContact O-N 3.11Å; E700-N702 PolarHBondContact O-N 2.84Å |
| 701 | A | 62.1 | Low | 70.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K703 L781 D782 | A701-K703 PolarHBondContact O-N 2.98Å; A701-K703 VanDerWaalsContact O-N 3.07Å; A701-L781 HydrophobicContact CB-CD2 4.21Å; A701-L781 HydrophobicContact CB-CG 4.34Å; A701-D782 HydrophobicContact CB-CB 3.91Å; A701-D782 VanDerWaalsContact CB-OD2 3.3Å; A701-D782 WeakPolarHBondContact CB-OD2 3.43Å; A701-D782 PolarHBondContact N-OD2 3.13Å |
| 702 | N | 70 | Confident | 70.6 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -79.5 | 90.4 | 164.8 | -174.5 | -40.6 | 0 | 0 | 0 | 108.9 | N660 E664 C695 E700 K704 I705 Q706 | N660-N702 PolarHBondContact OD1-ND2 2.74Å; E664-N702 WeakPolarHBondContact CG-ND2 3.27Å; E664-N702 PolarHBondContact OE1-ND2 2.68Å; C695-N702 PolarHBondContact O-N 3.29Å; E700-N702 PolarHBondContact O-N 2.84Å; N702-K704 VanDerWaalsContact C-N 3.29Å; N702-K704 PolarHBondContact O-N 2.84Å; N702-K704 PolarHBondContact OD1-N 2.81Å; N702-I705 HydrophobicContact CB-CB 4.25Å; N702-I705 HydrophobicContact CB-CD1 4.43Å; N702-I705 VanDerWaalsContact ND2-CD1 3.35Å; N702-I705 WeakPolarHBondContact ND2-CD1 3.46Å; N702-I705 PolarHBondContact O-N 3.36Å; N702-I705 VanDerWaalsContact O-N 3.14Å; N702-I705 WeakPolarHBondContact OD1-CG1 3.34Å; N702-I705 PolarHBondContact OD1-N 2.79Å; N702-Q706 WeakPolarHBondContact O-CB 3.31Å; N702-Q706 WeakPolarHBondContact O-CG 3.43Å; N702-Q706 PolarHBondContact O-N 3.05Å | ||
| 703 | K | 72 | Confident | 71.1 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -52.3 | -43.4 | -175.7 | -66 | -167.6 | 174.6 | -163.5 | 0 | 113.4 | A701 I705 Q706 E707 | A701-K703 PolarHBondContact O-N 2.98Å; A701-K703 VanDerWaalsContact O-N 3.07Å; K703-I705 PolarHBondContact O-N 3.47Å; K703-Q706 PolarHBondContact O-N 2.95Å; K703-E707 WeakPolarHBondContact O-CB 3.41Å; K703-E707 VanDerWaalsContact O-CG 3.22Å; K703-E707 WeakPolarHBondContact O-CG 3.46Å; K703-E707 PolarHBondContact O-N 2.81Å |
| 704 | K | 68.6 | Low | 71.6 | Confident | 130 Ų | 130 | 43.4 Ų | 43.4 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.7 | -40 | -178.2 | -172.3 | -178.7 | 179.6 | -170.8 | 0 | 112.4 | N702 L708 | N702-K704 VanDerWaalsContact C-N 3.29Å; N702-K704 PolarHBondContact O-N 2.84Å; N702-K704 PolarHBondContact OD1-N 2.81Å; K704-L708 PolarHBondContact O-N 2.85Å |
| 705 | I | 74.2 | Confident | 72.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -77.3 | -41.1 | 178.5 | -64.5 | 177 | 0 | 0 | 0 | 110.5 | L663 L694 N702 K703 E707 L708 I709 | L663-I705 HydrophobicContact CB-CD1 3.53Å; L663-I705 HydrophobicContact CD2-CD1 4.34Å; L663-I705 HydrophobicContact CG-CD1 4.45Å; L694-I705 HydrophobicContact CB-CG2 4.03Å; L694-I705 WeakPolarHBondContact O-CG2 3.4Å; N702-I705 HydrophobicContact CB-CB 4.25Å; N702-I705 HydrophobicContact CB-CD1 4.43Å; N702-I705 VanDerWaalsContact ND2-CD1 3.35Å; N702-I705 WeakPolarHBondContact ND2-CD1 3.46Å; N702-I705 PolarHBondContact O-N 3.36Å; N702-I705 VanDerWaalsContact O-N 3.14Å; N702-I705 WeakPolarHBondContact OD1-CG1 3.34Å; N702-I705 PolarHBondContact OD1-N 2.79Å; K703-I705 PolarHBondContact O-N 3.47Å; I705-E707 VanDerWaalsContact C-N 3.33Å; I705-E707 PolarHBondContact O-N 3.14Å; I705-L708 PolarHBondContact O-N 2.73Å; I705-I709 HydrophobicContact CG2-CD1 3.74Å; I705-I709 HydrophobicContact CG2-CG1 4.27Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.49Å; I705-I709 PolarHBondContact O-N 3.49Å |
| 706 | Q | 78.7 | Confident | 72.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.3 | -48.4 | 170.7 | -80.5 | -179.1 | -22.5 | 0 | 0 | 111.3 | C695 N702 K703 L708 I709 C710 Q778 | C695-Q706 HydrophobicContact CB-CG 3.78Å; N702-Q706 WeakPolarHBondContact O-CB 3.31Å; N702-Q706 WeakPolarHBondContact O-CG 3.43Å; N702-Q706 PolarHBondContact O-N 3.05Å; K703-Q706 PolarHBondContact O-N 2.95Å; Q706-L708 VanDerWaalsContact C-N 3.32Å; Q706-L708 PolarHBondContact O-N 3.25Å; Q706-I709 PolarHBondContact O-N 3.47Å; Q706-C710 WeakPolarHBondContact O-CB 3.46Å; Q706-C710 PolarHBondContact O-N 3.2Å; Q706-C710 PolarHBondContact O-SG 2.98Å; Q706-Q778 PolarHBondContact NE2-O 3.35Å |
| 707 | E | 73.7 | Confident | 72.9 | Confident | 70 Ų | 70 | 52 Ų | 52 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.7 | -46.6 | 176 | -76.6 | 172.9 | -153.7 | 0 | 0 | 111.6 | K703 I705 I709 C710 L711 L786 | K703-E707 WeakPolarHBondContact O-CB 3.41Å; K703-E707 VanDerWaalsContact O-CG 3.22Å; K703-E707 WeakPolarHBondContact O-CG 3.46Å; K703-E707 PolarHBondContact O-N 2.81Å; I705-E707 VanDerWaalsContact C-N 3.33Å; I705-E707 PolarHBondContact O-N 3.14Å; E707-I709 PolarHBondContact O-N 3.07Å; E707-C710 PolarHBondContact O-N 2.78Å; E707-L711 WeakPolarHBondContact O-CB 3.38Å; E707-L711 VanDerWaalsContact O-CG 3.22Å; E707-L711 WeakPolarHBondContact O-CG 3.42Å; E707-L711 PolarHBondContact O-N 2.94Å; E707-L786 HydrophobicContact CB-CD1 4.11Å; E707-L786 HydrophobicContact CG-CD1 3.82Å |
| 708 | L | 76.2 | Confident | 74 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 179.2 | -172 | 64.2 | 0 | 0 | 0 | 112 | K669 I672 K704 I705 Q706 L712 | K669-L708 HydrophobicContact CB-CD1 4.13Å; K669-L708 HydrophobicContact CG-CD1 4.14Å; I672-L708 HydrophobicContact CD1-CB 4.16Å; I672-L708 HydrophobicContact CD1-CD2 3.55Å; I672-L708 HydrophobicContact CD1-CG 3.6Å; K704-L708 PolarHBondContact O-N 2.85Å; I705-L708 PolarHBondContact O-N 2.73Å; Q706-L708 VanDerWaalsContact C-N 3.32Å; Q706-L708 PolarHBondContact O-N 3.25Å; L708-L712 HydrophobicContact CD1-CD1 4.25Å; L708-L712 HydrophobicContact CG-CD1 4.18Å; L708-L712 WeakPolarHBondContact O-CB 3.37Å; L708-L712 WeakPolarHBondContact O-CD1 3.47Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 3.34Å |
| 709 | I | 80.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 175.4 | -67.6 | 170.8 | 0 | 0 | 0 | 110.2 | I672 L694 I705 Q706 E707 L711 L712 V713 M779 | I672-I709 HydrophobicContact CD1-CG1 3.69Å; I672-I709 HydrophobicContact CG1-CG1 4.33Å; L694-I709 HydrophobicContact CB-CD1 3.95Å; I705-I709 HydrophobicContact CG2-CD1 3.74Å; I705-I709 HydrophobicContact CG2-CG1 4.27Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.49Å; I705-I709 PolarHBondContact O-N 3.49Å; Q706-I709 PolarHBondContact O-N 3.47Å; E707-I709 PolarHBondContact O-N 3.07Å; I709-L711 PolarHBondContact O-N 3.36Å; I709-L712 PolarHBondContact O-N 2.97Å; I709-V713 HydrophobicContact CG2-CB 4.45Å; I709-V713 HydrophobicContact CG2-CG2 3.82Å; I709-V713 WeakPolarHBondContact O-CB 3.33Å; I709-V713 WeakPolarHBondContact O-CG2 3.23Å; I709-V713 PolarHBondContact O-N 2.99Å; I709-M779 HydrophobicContact CG2-CE 4.02Å; I709-M779 HydrophobicContact CG2-CG 4.38Å; I709-M779 HydrophobicContact CG2-SD 4.17Å |
| 710 | C | 80.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 175 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | Q706 E707 L712 L714 M779 L786 | Q706-C710 WeakPolarHBondContact O-CB 3.46Å; Q706-C710 PolarHBondContact O-N 3.2Å; Q706-C710 PolarHBondContact O-SG 2.98Å; E707-C710 PolarHBondContact O-N 2.78Å; C710-L712 PolarHBondContact O-N 3.17Å; C710-L714 HydrophobicContact CB-CD1 4.44Å; C710-L714 WeakPolarHBondContact O-CB 3.46Å; C710-L714 PolarHBondContact O-N 3.02Å; C710-M779 HydrophobicContact CB-CE 3.97Å; C710-M779 WeakPolarHBondContact SG-CE 3.25Å; C710-L786 HydrophobicContact CB-CB 4.17Å |
| 711 | L | 79.2 | Confident | 77.1 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 34% | 0.34 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64 | -27.6 | -179.9 | -72.9 | 167.8 | 0 | 0 | 0 | 113.7 | E707 I709 K794 L796 | E707-L711 WeakPolarHBondContact O-CB 3.38Å; E707-L711 VanDerWaalsContact O-CG 3.22Å; E707-L711 WeakPolarHBondContact O-CG 3.42Å; E707-L711 PolarHBondContact O-N 2.94Å; I709-L711 PolarHBondContact O-N 3.36Å; L711-K794 HydrophobicContact CD2-CD 4.28Å; L711-L796 HydrophobicContact CD2-CD1 4.09Å |
| 712 | L | 82.1 | Confident | 78.1 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -97.6 | -45.1 | -175.4 | -69.5 | 175 | 0 | 0 | 0 | 113.2 | K669 I672 E673 I676 L708 I709 C710 N718 | K669-L712 HydrophobicContact CD-CD2 4.44Å; K669-L712 HydrophobicContact CG-CD1 3.85Å; K669-L712 HydrophobicContact CG-CD2 3.97Å; K669-L712 HydrophobicContact CG-CG 4.4Å; I672-L712 HydrophobicContact CB-CD1 3.55Å; I672-L712 HydrophobicContact CD1-CD1 4.14Å; I672-L712 HydrophobicContact CG1-CD1 4.47Å; I672-L712 HydrophobicContact CG2-CB 4Å; I672-L712 HydrophobicContact CG2-CD1 3.49Å; I672-L712 VanDerWaalsContact CG2-CD1 3.49Å; I672-L712 HydrophobicContact CG2-CG 4.41Å; E673-L712 HydrophobicContact CG-CD1 4.43Å; E673-L712 HydrophobicContact CG-CD2 4.09Å; I676-L712 HydrophobicContact CD1-CB 3.84Å; L708-L712 HydrophobicContact CD1-CD1 4.25Å; L708-L712 HydrophobicContact CG-CD1 4.18Å; L708-L712 WeakPolarHBondContact O-CB 3.37Å; L708-L712 WeakPolarHBondContact O-CD1 3.47Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 3.34Å; I709-L712 PolarHBondContact O-N 2.97Å; C710-L712 PolarHBondContact O-N 3.17Å; L712-N718 PolarHBondContact O-ND2 2.66Å |
| 713 | V | 84.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.7 | -42.7 | -175.7 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | I676 L691 I709 N715 L722 L775 | I676-V713 HydrophobicContact CD1-CG2 4.24Å; I676-V713 HydrophobicContact CG1-CG2 4.46Å; L691-V713 HydrophobicContact CD1-CG2 4.18Å; I709-V713 HydrophobicContact CG2-CB 4.45Å; I709-V713 HydrophobicContact CG2-CG2 3.82Å; I709-V713 WeakPolarHBondContact O-CB 3.33Å; I709-V713 WeakPolarHBondContact O-CG2 3.23Å; I709-V713 PolarHBondContact O-N 2.99Å; V713-N715 VanDerWaalsContact C-N 3.27Å; V713-N715 PolarHBondContact O-N 2.76Å; V713-L722 HydrophobicContact CG1-CD2 4.29Å; V713-L775 HydrophobicContact CG1-CD2 4.45Å |
| 714 | L | 82.3 | Confident | 79 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -83.7 | 0.4 | -178.6 | -57.6 | 177 | 0 | 0 | 0 | 113.4 | C710 E716 F776 M779 A787 L796 L797 L799 | C710-L714 HydrophobicContact CB-CD1 4.44Å; C710-L714 WeakPolarHBondContact O-CB 3.46Å; C710-L714 PolarHBondContact O-N 3.02Å; L714-E716 PolarHBondContact O-N 2.92Å; L714-F776 HydrophobicContact CD2-CE1 4.11Å; L714-M779 HydrophobicContact CD1-CE 3.74Å; L714-M779 HydrophobicContact CD2-CE 4.23Å; L714-M779 HydrophobicContact CG-CE 3.68Å; L714-A787 HydrophobicContact CD1-CB 3.84Å; L714-L796 CarbonylContact O-C 3.56Å; L714-L796 WeakPolarHBondContact O-CA 3.41Å; L714-L797 HydrophobicContact CB-CB 4.15Å; L714-L797 HydrophobicContact CD2-CB 4.42Å; L714-L797 HydrophobicContact CD2-CD2 4.42Å; L714-L797 WeakPolarHBondContact O-CB 3.24Å; L714-L797 PolarHBondContact O-N 2.87Å; L714-L799 HydrophobicContact CD1-CD1 4.26Å; L714-L799 HydrophobicContact CD1-CG 4.35Å; L714-L799 HydrophobicContact CD2-CD1 4.33Å; L714-L799 HydrophobicContact CD2-CD2 3.95Å; L714-L799 HydrophobicContact CD2-CG 4.24Å |
| 715 | N | 81.6 | Confident | 79.7 | Confident | 56 Ų | 56 | 29 Ų | 29 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | B | Isolated β-bridge | trans | -61.8 | 133.3 | 176.6 | -168.8 | -38.3 | 0 | 0 | 0 | 110.4 | V713 A717 N718 L796 | V713-N715 VanDerWaalsContact C-N 3.27Å; V713-N715 PolarHBondContact O-N 2.76Å; N715-A717 PolarHBondContact O-N 3.4Å; N715-A717 WeakPolarHBondContact OD1-CB 3.39Å; N715-A717 PolarHBondContact OD1-N 3.24Å; N715-N718 PolarHBondContact O-N 2.89Å; N715-L796 HydrophobicContact CB-CD2 4.49Å |
| 716 | E | 76.6 | Confident | 80 | Confident | 90 Ų | 90 | 35.6 Ų | 35.6 | 42% | 0.421 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -53 | -28.7 | 177.8 | -77.9 | -170.5 | 164 | 0 | 0 | 113.5 | L714 N718 R719 M795 | L714-E716 PolarHBondContact O-N 2.92Å; E716-N718 VanDerWaalsContact C-N 3.26Å; E716-N718 PolarHBondContact O-N 3.43Å; E716-R719 WeakPolarHBondContact O-CB 3.48Å; E716-R719 PolarHBondContact O-N 2.74Å; E716-M795 PolarHBondContact N-O 3.2Å; E716-M795 WeakPolarHBondContact OE2-CE 3.5Å |
| 717 | A | 75.4 | Confident | 79.7 | Confident | 75 Ų | 75 | 38 Ų | 38 | 62% | 0.62 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -64.5 | -26.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N715 | N715-A717 PolarHBondContact O-N 3.4Å; N715-A717 WeakPolarHBondContact OD1-CB 3.39Å; N715-A717 PolarHBondContact OD1-N 3.24Å |
| 718 | N | 80.4 | Confident | 79.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -106 | 15.6 | -178.7 | -69.9 | -37.8 | 0 | 0 | 0 | 112.8 | R680 L712 N715 E716 D720 I721 | R680-N718 PolarHBondContact NH2-OD1 3.33Å; L712-N718 PolarHBondContact O-ND2 2.66Å; N715-N718 PolarHBondContact O-N 2.89Å; E716-N718 VanDerWaalsContact C-N 3.26Å; E716-N718 PolarHBondContact O-N 3.43Å; N718-D720 VanDerWaalsContact C-OD1 3.32Å; N718-D720 WeakPolarHBondContact CA-OD1 2.89Å; N718-D720 PolarHBondContact O-N 3.21Å; N718-I721 HydrophobicContact CB-CD1 4.33Å; N718-I721 WeakPolarHBondContact O-CG1 3.31Å; N718-I721 PolarHBondContact O-N 2.79Å |
| 719 | R | 78.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 18% | 0.181 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -61.2 | -15.1 | -179.5 | -166.3 | 173 | 179 | 142.9 | 12.9 | 113.6 | E716 I721 L722 E724 E802 | E716-R719 WeakPolarHBondContact O-CB 3.48Å; E716-R719 PolarHBondContact O-N 2.74Å; R719-I721 VanDerWaalsContact C-N 3.32Å; R719-I721 PolarHBondContact O-N 2.97Å; R719-L722 PolarHBondContact O-N 3.09Å; R719-E724 IonicContact CZ-OE1 3.81Å; R719-E724 IonicContact NE-OE1 3Å; R719-E724 PolarHBondContact NE-OE1 2.92Å; R719-E724 IonicContact NH2-OE1 2.95Å; R719-E802 IonicContact CZ-OE1 2.97Å; R719-E802 IonicContact NH1-OE1 2.82Å; R719-E802 IonicContact NH2-OE1 2.86Å; R719-E802 PolarHBondContact NH2-OE1 3.01Å; R719-E802 IonicContact NH2-OE2 3.77Å; R719-E802 PolarHBondContact NH2-OE2 2.76Å |
| 720 | D | 79.3 | Confident | 77.6 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -70 | -22.1 | 179.1 | 65.7 | -49.1 | 0 | 0 | 0 | 114.5 | R680 N718 L722 | R680-D720 IonicContact CZ-OD1 3.02Å; R680-D720 IonicContact CZ-OD2 3.86Å; R680-D720 IonicContact NE-OD1 3.55Å; R680-D720 IonicContact NE-OD2 3.77Å; R680-D720 PolarHBondContact NE-OD2 3.36Å; R680-D720 IonicContact NH2-OD1 3.61Å; R680-D720 PolarHBondContact NH2-OD1 3.33Å; R680-D720 IonicContact NH2-OD2 3.04Å; N718-D720 VanDerWaalsContact C-OD1 3.32Å; N718-D720 WeakPolarHBondContact CA-OD1 2.89Å; N718-D720 PolarHBondContact O-N 3.21Å; D720-L722 VanDerWaalsContact C-N 3.34Å |
| 721 | I | 81.1 | Confident | 76.1 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -84.6 | -10 | 177.8 | 76.8 | -167.4 | 0 | 0 | 0 | 113 | I676 V679 R680 N718 R719 Y768 | I676-I721 HydrophobicContact CG1-CD1 4.34Å; I676-I721 HydrophobicContact CG2-CD1 3.94Å; I676-I721 HydrophobicContact CG2-CG2 4.43Å; V679-I721 HydrophobicContact CG1-CB 3.92Å; V679-I721 HydrophobicContact CG1-CG2 4.32Å; R680-I721 HydrophobicContact CB-CG2 4.18Å; N718-I721 HydrophobicContact CB-CD1 4.33Å; N718-I721 WeakPolarHBondContact O-CG1 3.31Å; N718-I721 PolarHBondContact O-N 2.79Å; R719-I721 VanDerWaalsContact C-N 3.32Å; R719-I721 PolarHBondContact O-N 2.97Å; I721-Y768 PolarHBondContact O-OH 3.27Å |
| 722 | L | 83.5 | Confident | 74.9 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -108.1 | 141.3 | -174.8 | -57.8 | 175.2 | 0 | 0 | 0 | 110.6 | V713 R719 D720 Q772 F776 L797 | V713-L722 HydrophobicContact CG1-CD2 4.29Å; R719-L722 PolarHBondContact O-N 3.09Å; D720-L722 VanDerWaalsContact C-N 3.34Å; L722-Q772 HydrophobicContact CD2-CG 4.18Å; L722-F776 HydrophobicContact CD1-CE1 4.44Å; L722-F776 HydrophobicContact CD1-CZ 4.27Å; L722-F776 HydrophobicContact CD2-CE1 4.14Å; L722-F776 HydrophobicContact CD2-CZ 4.12Å; L722-L797 HydrophobicContact CD1-CD2 4.33Å |
| 723 | L | 83.2 | Confident | 73.3 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 131.4 | 170.4 | -74.5 | 161.8 | 0 | 0 | 0 | 109.9 | W741 Y768 Y769 Q772 | L723-W741 HydrophobicContact CD1-CZ2 4.49Å; L723-W741 HydrophobicContact CD2-CD2 3.58Å; L723-W741 HydrophobicContact CD2-CE3 4.07Å; L723-W741 HydrophobicContact CD2-CG 3.86Å; L723-W741 HydrophobicContact CD2-CZ2 4.06Å; L723-W741 HydrophobicContact CG-CD2 4.27Å; L723-W741 HydrophobicContact CG-CE3 4.32Å; L723-W741 HydrophobicContact CG-CH2 4.29Å; L723-W741 HydrophobicContact CG-CZ2 4.22Å; L723-W741 HydrophobicContact CG-CZ3 4.33Å; L723-Y768 HydrophobicContact CD1-CD1 3.75Å; L723-Y768 HydrophobicContact CD1-CE1 4.37Å; L723-Y768 HydrophobicContact CG-CD1 4.41Å; L723-Y769 HydrophobicContact CB-CD2 3.99Å; L723-Y769 HydrophobicContact CB-CE2 4.47Å; L723-Y769 HydrophobicContact CD1-CD2 3.89Å; L723-Y769 HydrophobicContact CD1-CG 4.22Å; L723-Q772 PolarHBondContact O-NE2 3.43Å; L723-Q772 VanDerWaalsContact O-NE2 3.1Å |
| 724 | E | 78.9 | Confident | 71.8 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 9% | 0.093 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.7 | 174.8 | -65.8 | -172.4 | 174.8 | 0 | 0 | 110.7 | R719 R726 I739 S740 | R719-E724 IonicContact CZ-OE1 3.81Å; R719-E724 IonicContact NE-OE1 3Å; R719-E724 PolarHBondContact NE-OE1 2.92Å; R719-E724 IonicContact NH2-OE1 2.95Å; E724-R726 IonicContact OE2-CZ 2.66Å; E724-R726 IonicContact OE2-NE 2.68Å; E724-R726 PolarHBondContact OE2-NE 3.32Å; E724-R726 IonicContact OE2-NH2 2.77Å; E724-R726 PolarHBondContact OE2-NH2 3.3Å; E724-I739 WeakPolarHBondContact O-CA 3.4Å; E724-S740 PolarHBondContact N-O 3.25Å; E724-S740 PolarHBondContact O-N 2.64Å; E724-S740 VanDerWaalsContact O-N 3.11Å |
| 725 | T | 83.3 | Confident | 70.8 | Confident | 13 Ų | 13 | 78 Ų | 78 | 8% | 0.08 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.2 | 176.9 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | V737 I739 Y769 L803 I807 | T725-V737 HydrophobicContact CG2-CG1 3.74Å; T725-I739 HydrophobicContact CG2-CG2 4.49Å; T725-Y769 WeakPolarHBondContact CG2-OH 3.34Å; T725-Y769 WeakPolarHBondContact OG1-CE2 3.33Å; T725-Y769 PolarHBondContact OG1-OH 3.12Å; T725-L803 HydrophobicContact CG2-CD2 3.84Å; T725-I807 HydrophobicContact CG2-CG2 4.27Å |
| 726 | R | 79.6 | Confident | 70.6 | Confident | 142 Ų | 142 | 76.5 Ų | 76.5 | 54% | 0.536 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.2 | -179.4 | -63.2 | -174.8 | -175.9 | -172.4 | 1.9 | 110.9 | E724 F738 | E724-R726 IonicContact OE2-CZ 2.66Å; E724-R726 IonicContact OE2-NE 2.68Å; E724-R726 PolarHBondContact OE2-NE 3.32Å; E724-R726 IonicContact OE2-NH2 2.77Å; E724-R726 PolarHBondContact OE2-NH2 3.3Å; R726-F738 PolarHBondContact N-O 2.96Å; R726-F738 PolarHBondContact O-N 3.28Å |
| 727 | C | 73 | Confident | 70.7 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.5 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 110 | I807 | C727-I807 HydrophobicContact CB-CD1 3.69Å; C727-I807 HydrophobicContact CB-CG1 3.86Å |
| 728 | R | 71.5 | Confident | 71.1 | Confident | 153 Ų | 153 | 70.7 Ų | 70.7 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.5 | 174.6 | -86.3 | -178.3 | 173.5 | 172.5 | -1.6 | 110.7 | F735 L736 F738 | R728-F735 WeakPolarHBondContact O-CA 3.38Å; R728-L736 PolarHBondContact N-O 3.5Å; R728-L736 PolarHBondContact O-N 3.28Å; R728-F738 HydrophobicContact CB-CD2 4.23Å; R728-F738 HydrophobicContact CB-CE2 3.96Å |
| 729 | R | 59.2 | Low | 71.2 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121.3 | 177.2 | -158.4 | 171.6 | -159.9 | 168.9 | 8.4 | 110.4 | F735 | R729-F735 HydrophobicContact CB-CD1 3.61Å; R729-F735 HydrophobicContact CB-CE1 3.47Å; R729-F735 VanDerWaalsContact CB-CE1 3.47Å; R729-F735 HydrophobicContact CB-CG 4.39Å; R729-F735 HydrophobicContact CB-CZ 4.15Å; R729-F735 HydrophobicContact CG-CD1 3.75Å; R729-F735 HydrophobicContact CG-CD2 4.28Å; R729-F735 HydrophobicContact CG-CE1 3.36Å; R729-F735 HydrophobicContact CG-CE2 3.93Å; R729-F735 HydrophobicContact CG-CG 4.22Å; R729-F735 HydrophobicContact CG-CZ 3.48Å; R729-F735 VanDerWaalsContact CG-CZ 3.48Å |
| 730 | K | 55.3 | Low | 71.2 | Confident | 137 Ų | 137 | 67.5 Ų | 67.5 | 60% | 0.596 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.3 | 168.3 | -99.7 | -163.8 | -177.3 | 176.2 | 0 | 109.1 | F734 L736 | K730-F734 CarbonylContact C-O 3.37Å; K730-F734 WeakPolarHBondContact CA-O 3.43Å; K730-F734 PolarHBondContact N-O 2.98Å; K730-F734 CarbonylContact O-C 3.58Å; K730-F734 WeakPolarHBondContact O-CB 3.48Å; K730-F734 PolarHBondContact O-N 3.1Å; K730-L736 HydrophobicContact CD-CD1 3.77Å; K730-L736 HydrophobicContact CG-CD1 4.43Å |
| 731 | A | 50.3 | Low | 71.2 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 172.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | T733 | A731-T733 PolarHBondContact O-N 3.27Å; A731-T733 VanDerWaalsContact O-N 3.08Å |
| 732 | Q | 53.2 | Low | 70.8 | Confident | 179 Ų | 179 | 73.1 Ų | 73.1 | 84% | 0.836 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.1 | -167.6 | -82.8 | 173.6 | -17.1 | 0 | 0 | 114.6 | ||
| 733 | T | 49.3 | Very low | 70.1 | Confident | 103 Ų | 103 | 76.5 Ų | 76.5 | 63% | 0.632 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -16.6 | -172.9 | 48.1 | 0 | 0 | 0 | 0 | 116.1 | A731 R810 | A731-T733 PolarHBondContact O-N 3.27Å; A731-T733 VanDerWaalsContact O-N 3.08Å; T733-R810 PolarHBondContact O-NH2 2.97Å |
| 734 | F | 50.9 | Low | 69.6 | Low | 139 Ų | 139 | 80.6 Ų | 80.6 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.8 | -176.3 | -66.6 | -85.6 | 0 | 0 | 0 | 112 | K730 | K730-F734 CarbonylContact C-O 3.37Å; K730-F734 WeakPolarHBondContact CA-O 3.43Å; K730-F734 PolarHBondContact N-O 2.98Å; K730-F734 CarbonylContact O-C 3.58Å; K730-F734 WeakPolarHBondContact O-CB 3.48Å; K730-F734 PolarHBondContact O-N 3.1Å |
| 735 | F | 63.2 | Low | 69.4 | Low | 61 Ų | 61 | 87.8 Ų | 87.8 | 27% | 0.268 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.3 | 164.5 | -64 | -109.5 | 0 | 0 | 0 | 108.8 | R728 R729 R810 | R728-F735 WeakPolarHBondContact O-CA 3.38Å; R729-F735 HydrophobicContact CB-CD1 3.61Å; R729-F735 HydrophobicContact CB-CE1 3.47Å; R729-F735 VanDerWaalsContact CB-CE1 3.47Å; R729-F735 HydrophobicContact CB-CG 4.39Å; R729-F735 HydrophobicContact CB-CZ 4.15Å; R729-F735 HydrophobicContact CG-CD1 3.75Å; R729-F735 HydrophobicContact CG-CD2 4.28Å; R729-F735 HydrophobicContact CG-CE1 3.36Å; R729-F735 HydrophobicContact CG-CE2 3.93Å; R729-F735 HydrophobicContact CG-CG 4.22Å; R729-F735 HydrophobicContact CG-CZ 3.48Å; R729-F735 VanDerWaalsContact CG-CZ 3.48Å; F735-R810 VanDerWaalsContact N-NH2 3.15Å; F735-R810 PolarHBondContact O-NE 2.88Å; F735-R810 VanDerWaalsContact O-NE 3.09Å |
| 736 | L | 76.5 | Confident | 69 | Low | 25 Ų | 25 | 89.7 Ų | 89.7 | 13% | 0.131 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.4 | -179.8 | -67.6 | 176.7 | 0 | 0 | 0 | 109.8 | R728 K730 F738 L748 E750 | R728-L736 PolarHBondContact N-O 3.5Å; R728-L736 PolarHBondContact O-N 3.28Å; K730-L736 HydrophobicContact CD-CD1 3.77Å; K730-L736 HydrophobicContact CG-CD1 4.43Å; L736-F738 HydrophobicContact CB-CD2 4.47Å; L736-F738 HydrophobicContact CB-CE2 3.72Å; L736-F738 HydrophobicContact CB-CZ 4.22Å; L736-F738 HydrophobicContact CD1-CZ 4.46Å; L736-L748 HydrophobicContact CB-CD1 3.7Å; L736-L748 HydrophobicContact CD1-CD1 4.11Å; L736-L748 HydrophobicContact CD2-CD1 4.15Å; L736-L748 HydrophobicContact CG-CD1 4.2Å; L736-E750 WeakPolarHBondContact CD2-OE1 3.38Å |
| 737 | V | 79 | Confident | 69.1 | Low | 9 Ų | 9 | 86.5 Ų | 86.5 | 6% | 0.055 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.3 | -179.8 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | T725 L749 I807 | T725-V737 HydrophobicContact CG2-CG1 3.74Å; V737-L749 HydrophobicContact CG1-CD2 4.37Å; V737-L749 PolarHBondContact O-N 3.39Å; V737-I807 HydrophobicContact CG1-CG2 4.36Å; V737-I807 HydrophobicContact CG2-CG2 4.32Å |
| 738 | F | 82.6 | Confident | 69.5 | Low | 34 Ų | 34 | 85.8 Ų | 85.8 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.3 | 179.1 | -65.8 | -93 | 0 | 0 | 0 | 110.8 | R726 R728 L736 P746 L747 L748 | R726-F738 PolarHBondContact N-O 2.96Å; R726-F738 PolarHBondContact O-N 3.28Å; R728-F738 HydrophobicContact CB-CD2 4.23Å; R728-F738 HydrophobicContact CB-CE2 3.96Å; L736-F738 HydrophobicContact CB-CD2 4.47Å; L736-F738 HydrophobicContact CB-CE2 3.72Å; L736-F738 HydrophobicContact CB-CZ 4.22Å; L736-F738 HydrophobicContact CD1-CZ 4.46Å; F738-P746 HydrophobicContact CB-CB 3.86Å; F738-P746 HydrophobicContact CD1-CB 3.92Å; F738-P746 HydrophobicContact CG-CB 4.11Å; F738-L747 CarbonylContact C-O 3.5Å; F738-L747 WeakPolarHBondContact CA-O 3.48Å; F738-L748 HydrophobicContact CD1-CB 4.19Å; F738-L748 HydrophobicContact CD1-CD1 4.31Å; F738-L748 HydrophobicContact CE1-CB 3.96Å; F738-L748 HydrophobicContact CE1-CD1 3.94Å; F738-L748 HydrophobicContact CE2-CD1 4.27Å; F738-L748 HydrophobicContact CZ-CD1 3.91Å |
| 739 | I | 82.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.8 | 170.6 | 57.5 | 168.5 | 0 | 0 | 0 | 110.2 | E724 T725 L747 L749 L752 V765 Y769 | E724-I739 WeakPolarHBondContact O-CA 3.4Å; T725-I739 HydrophobicContact CG2-CG2 4.49Å; I739-L747 HydrophobicContact CG1-CB 4.44Å; I739-L747 PolarHBondContact N-O 3.27Å; I739-L747 WeakPolarHBondContact O-CB 3.47Å; I739-L747 PolarHBondContact O-N 3.42Å; I739-L749 HydrophobicContact CD1-CD1 3.88Å; I739-L749 HydrophobicContact CG1-CD1 4.38Å; I739-L749 HydrophobicContact CG2-CD1 4.43Å; I739-L752 HydrophobicContact CD1-CD1 3.56Å; I739-L752 HydrophobicContact CG1-CD1 3.76Å; I739-V765 HydrophobicContact CD1-CG1 4.3Å; I739-Y769 HydrophobicContact CD1-CD1 4.37Å; I739-Y769 HydrophobicContact CD1-CG 4.28Å; I739-Y769 HydrophobicContact CG2-CD1 4.41Å; I739-Y769 HydrophobicContact CG2-CD2 4.33Å; I739-Y769 HydrophobicContact CG2-CE1 4.02Å; I739-Y769 HydrophobicContact CG2-CE2 3.95Å |
| 740 | S | 78.7 | Confident | 71 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.063 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 146.3 | 177.5 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | E724 | E724-S740 PolarHBondContact N-O 3.25Å; E724-S740 PolarHBondContact O-N 2.64Å; E724-S740 VanDerWaalsContact O-N 3.11Å |
| 741 | W | 80.6 | Confident | 72.2 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | trans | -67.5 | 152 | 158.1 | -61 | 102.6 | 0 | 0 | 0 | 109.7 | L723 G743 D744 Y768 | L723-W741 HydrophobicContact CD1-CZ2 4.49Å; L723-W741 HydrophobicContact CD2-CD2 3.58Å; L723-W741 HydrophobicContact CD2-CE3 4.07Å; L723-W741 HydrophobicContact CD2-CG 3.86Å; L723-W741 HydrophobicContact CD2-CZ2 4.06Å; L723-W741 HydrophobicContact CG-CD2 4.27Å; L723-W741 HydrophobicContact CG-CE3 4.32Å; L723-W741 HydrophobicContact CG-CH2 4.29Å; L723-W741 HydrophobicContact CG-CZ2 4.22Å; L723-W741 HydrophobicContact CG-CZ3 4.33Å; W741-G743 PolarHBondContact O-N 3.38Å; W741-D744 HydrophobicContact CB-CB 4.15Å; W741-D744 WeakPolarHBondContact CB-OD2 3.24Å; W741-D744 PolarHBondContact O-N 3.25Å; W741-Y768 AromaticContact CH2-CD1 3.83Å; W741-Y768 HydrophobicContact CH2-CD1 3.83Å; W741-Y768 AromaticContact CH2-CE1 3.42Å; W741-Y768 HydrophobicContact CH2-CE1 3.42Å; W741-Y768 VanDerWaalsContact CH2-CE1 3.42Å; W741-Y768 HydrophobicContact CH2-CE2 4.33Å; W741-Y768 HydrophobicContact CH2-CG 4.43Å; W741-Y768 AromaticContact CH2-CZ 3.71Å; W741-Y768 HydrophobicContact CZ2-CD1 4.23Å; W741-Y768 HydrophobicContact CZ2-CE1 4.28Å; W741-Y768 HydrophobicContact CZ3-CE1 4.07Å | ||
| 742 | R | 71.5 | Confident | 73.6 | Confident | 161 Ų | 161 | 67.3 Ų | 67.3 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 108.3 | 178.6 | -163.9 | -177.6 | -172.8 | -172.8 | 3.8 | 110.4 | ||
| 743 | G | 68.5 | Low | 74.7 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 81% | 0.814 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.6 | -15.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | W741 | W741-G743 PolarHBondContact O-N 3.38Š|
| 744 | D | 73 | Confident | 76 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -87.4 | 164 | 177.9 | -72.1 | -12.5 | 0 | 0 | 0 | 111.8 | W741 | W741-D744 HydrophobicContact CB-CB 4.15Å; W741-D744 WeakPolarHBondContact CB-OD2 3.24Å; W741-D744 PolarHBondContact O-N 3.25Å |
| 745 | E | 75.4 | Confident | 77.2 | Confident | 171 Ų | 171 | 57 Ų | 57 | 80% | 0.799 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 141.3 | 174.8 | -71.7 | -141.8 | 154.6 | 0 | 0 | 112.1 | L747 | E745-L747 PolarHBondContact O-N 3.28Š|
| 746 | P | 75.6 | Confident | 77.3 | Confident | 54 Ų | 54 | 56 Ų | 56 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 118.8 | 179.1 | 26.4 | -33.2 | 0 | 0 | 0 | 112.4 | F738 | F738-P746 HydrophobicContact CB-CB 3.86Å; F738-P746 HydrophobicContact CD1-CB 3.92Å; F738-P746 HydrophobicContact CG-CB 4.11Å |
| 747 | L | 82 | Confident | 76.7 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.7 | 175.5 | -62.7 | 158.9 | 0 | 0 | 0 | 109.9 | F738 I739 E745 L749 L752 | F738-L747 CarbonylContact C-O 3.5Å; F738-L747 WeakPolarHBondContact CA-O 3.48Å; I739-L747 HydrophobicContact CG1-CB 4.44Å; I739-L747 PolarHBondContact N-O 3.27Å; I739-L747 WeakPolarHBondContact O-CB 3.47Å; I739-L747 PolarHBondContact O-N 3.42Å; E745-L747 PolarHBondContact O-N 3.28Å; L747-L749 PolarHBondContact O-N 2.88Å; L747-L752 HydrophobicContact CB-CD1 3.62Å; L747-L752 HydrophobicContact CB-CG 4.14Å; L747-L752 HydrophobicContact CD1-CD1 4.1Å; L747-L752 HydrophobicContact CD1-CD2 4.48Å; L747-L752 HydrophobicContact CG-CD1 4.41Å |
| 748 | L | 81.5 | Confident | 76.3 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.6 | 176.3 | -177.6 | 69.4 | 0 | 0 | 0 | 109.6 | L736 F738 E750 K751 L752 | L736-L748 HydrophobicContact CB-CD1 3.7Å; L736-L748 HydrophobicContact CD1-CD1 4.11Å; L736-L748 HydrophobicContact CD2-CD1 4.15Å; L736-L748 HydrophobicContact CG-CD1 4.2Å; F738-L748 HydrophobicContact CD1-CB 4.19Å; F738-L748 HydrophobicContact CD1-CD1 4.31Å; F738-L748 HydrophobicContact CE1-CB 3.96Å; F738-L748 HydrophobicContact CE1-CD1 3.94Å; F738-L748 HydrophobicContact CE2-CD1 4.27Å; F738-L748 HydrophobicContact CZ-CD1 3.91Å; L748-E750 VanDerWaalsContact C-N 3.3Å; L748-E750 HydrophobicContact CD2-CB 4.33Å; L748-E750 HydrophobicContact CG-CB 4.22Å; L748-E750 PolarHBondContact O-N 2.81Å; L748-K751 HydrophobicContact CB-CB 3.98Å; L748-K751 HydrophobicContact CD2-CB 4.14Å; L748-K751 HydrophobicContact CG-CB 4.31Å; L748-K751 PolarHBondContact O-N 3.36Å; L748-K751 VanDerWaalsContact O-N 3.11Å; L748-L752 PolarHBondContact O-N 3.07Å |
| 749 | L | 82.2 | Confident | 75.9 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | -175.7 | -176.4 | 65.6 | 0 | 0 | 0 | 112.4 | V737 I739 L747 K751 L752 A753 L766 Y769 L817 L821 F825 | V737-L749 HydrophobicContact CG1-CD2 4.37Å; V737-L749 PolarHBondContact O-N 3.39Å; I739-L749 HydrophobicContact CD1-CD1 3.88Å; I739-L749 HydrophobicContact CG1-CD1 4.38Å; I739-L749 HydrophobicContact CG2-CD1 4.43Å; L747-L749 PolarHBondContact O-N 2.88Å; L749-K751 VanDerWaalsContact C-N 3.33Å; L749-K751 PolarHBondContact O-N 3.5Å; L749-L752 PolarHBondContact O-N 3.12Å; L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.17Å; L749-L766 HydrophobicContact CD1-CD1 4.21Å; L749-Y769 HydrophobicContact CD1-CD1 4.12Å; L749-Y769 HydrophobicContact CD1-CE1 4.19Å; L749-Y769 HydrophobicContact CD2-CE1 4.45Å; L749-L817 HydrophobicContact CD2-CD1 4.17Å; L749-L817 HydrophobicContact CD2-CD2 4.38Å; L749-L817 HydrophobicContact CG-CD2 4.07Å; L749-L821 HydrophobicContact CD1-CD2 4.33Å; L749-F825 HydrophobicContact CD2-CE2 4.33Å; L749-F825 HydrophobicContact CD2-CZ 4.18Å |
| 750 | E | 79.3 | Confident | 75.5 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.5 | -56 | 170.4 | -174.6 | 0 | 0 | 111.9 | L736 L748 A753 L754 R816 | L736-E750 WeakPolarHBondContact CD2-OE1 3.38Å; L748-E750 VanDerWaalsContact C-N 3.3Å; L748-E750 HydrophobicContact CD2-CB 4.33Å; L748-E750 HydrophobicContact CG-CB 4.22Å; L748-E750 PolarHBondContact O-N 2.81Å; E750-A753 PolarHBondContact O-N 3.29Å; E750-L754 PolarHBondContact O-N 3.36Å; E750-L754 VanDerWaalsContact O-N 3.09Å; E750-R816 VanDerWaalsContact CD-NH1 3.34Å; E750-R816 IonicContact OE1-CZ 3.86Å; E750-R816 IonicContact OE1-NH1 2.7Å; E750-R816 IonicContact OE1-NH2 3.57Å; E750-R816 PolarHBondContact OE1-NH2 3.48Å; E750-R816 IonicContact OE2-CZ 3.52Å; E750-R816 IonicContact OE2-NH1 3.99Å; E750-R816 PolarHBondContact OE2-NH1 3.4Å; E750-R816 IonicContact OE2-NH2 3.27Å; E750-R816 PolarHBondContact OE2-NH2 3.36Å; E750-R816 VanDerWaalsContact OE2-NH2 3.16Å |
| 751 | K | 80.7 | Confident | 75.2 | Confident | 120 Ų | 120 | 82 Ų | 82 | 52% | 0.522 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 179 | -177.6 | 176.4 | 169.8 | -178.8 | 0 | 110.6 | L748 L749 A753 L754 E755 | L748-K751 HydrophobicContact CB-CB 3.98Å; L748-K751 HydrophobicContact CD2-CB 4.14Å; L748-K751 HydrophobicContact CG-CB 4.31Å; L748-K751 PolarHBondContact O-N 3.36Å; L748-K751 VanDerWaalsContact O-N 3.11Å; L749-K751 VanDerWaalsContact C-N 3.33Å; L749-K751 PolarHBondContact O-N 3.5Å; K751-A753 VanDerWaalsContact C-N 3.34Å; K751-A753 PolarHBondContact O-N 3.35Å; K751-L754 PolarHBondContact O-N 2.9Å; K751-E755 WeakPolarHBondContact CE-OE1 3.46Å; K751-E755 HydrophobicContact CG-CG 4.3Å; K751-E755 IonicContact NZ-OE1 3.89Å; K751-E755 WeakPolarHBondContact O-CB 3.22Å; K751-E755 VanDerWaalsContact O-CG 3.28Å; K751-E755 WeakPolarHBondContact O-CG 3.41Å; K751-E755 PolarHBondContact O-N 3.13Å |
| 752 | L | 78.6 | Confident | 75.1 | Confident | 9 Ų | 9 | 81 Ų | 81 | 5% | 0.047 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 175 | -75.3 | 174 | 0 | 0 | 0 | 112.5 | I739 L747 L748 L749 E755 S756 A762 V765 L766 | I739-L752 HydrophobicContact CD1-CD1 3.56Å; I739-L752 HydrophobicContact CG1-CD1 3.76Å; L747-L752 HydrophobicContact CB-CD1 3.62Å; L747-L752 HydrophobicContact CB-CG 4.14Å; L747-L752 HydrophobicContact CD1-CD1 4.1Å; L747-L752 HydrophobicContact CD1-CD2 4.48Å; L747-L752 HydrophobicContact CG-CD1 4.41Å; L748-L752 PolarHBondContact O-N 3.07Å; L749-L752 PolarHBondContact O-N 3.12Å; L752-E755 PolarHBondContact O-N 3Å; L752-S756 WeakPolarHBondContact O-CB 3.5Å; L752-S756 PolarHBondContact O-N 3.13Å; L752-A762 HydrophobicContact CD2-CB 3.77Å; L752-V765 HydrophobicContact CD1-CG1 4.41Å; L752-L766 HydrophobicContact CB-CD1 4.08Å |
| 753 | A | 75.9 | Confident | 75.4 | Confident | 11 Ų | 11 | 75.1 Ų | 75.1 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L749 E750 K751 S756 L766 L817 | L749-A753 WeakPolarHBondContact O-CB 3.43Å; L749-A753 PolarHBondContact O-N 3.17Å; E750-A753 PolarHBondContact O-N 3.29Å; K751-A753 VanDerWaalsContact C-N 3.34Å; K751-A753 PolarHBondContact O-N 3.35Å; A753-S756 PolarHBondContact O-N 3.17Å; A753-S756 PolarHBondContact O-OG 2.67Å; A753-L766 HydrophobicContact CB-CD1 4.14Å; A753-L817 HydrophobicContact CB-CD2 3.68Å |
| 754 | L | 78.1 | Confident | 75.9 | Confident | 135 Ų | 135 | 80 Ų | 80 | 71% | 0.707 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.6 | -44 | 176.2 | -135 | 95.6 | 0 | 0 | 0 | 112.3 | E750 K751 S756 | E750-L754 PolarHBondContact O-N 3.36Å; E750-L754 VanDerWaalsContact O-N 3.09Å; K751-L754 PolarHBondContact O-N 2.9Å; L754-S756 VanDerWaalsContact C-N 3.27Å; L754-S756 PolarHBondContact O-N 3.01Å |
| 755 | E | 76 | Confident | 76.4 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72 | -18.8 | -179.5 | -73.3 | 178 | 169.8 | 0 | 0 | 113.1 | K751 L752 G757 D758 N759 A762 | K751-E755 WeakPolarHBondContact CE-OE1 3.46Å; K751-E755 HydrophobicContact CG-CG 4.3Å; K751-E755 IonicContact NZ-OE1 3.89Å; K751-E755 WeakPolarHBondContact O-CB 3.22Å; K751-E755 VanDerWaalsContact O-CG 3.28Å; K751-E755 WeakPolarHBondContact O-CG 3.41Å; K751-E755 PolarHBondContact O-N 3.13Å; L752-E755 PolarHBondContact O-N 3Å; E755-G757 PolarHBondContact O-N 3.38Å; E755-G757 VanDerWaalsContact O-N 3.09Å; E755-D758 PolarHBondContact O-N 2.93Å; E755-N759 HydrophobicContact CB-CB 4.47Å; E755-N759 WeakPolarHBondContact O-CB 3.35Å; E755-N759 PolarHBondContact O-N 3.03Å; E755-A762 HydrophobicContact CB-CB 4.11Å |
| 756 | S | 65.6 | Low | 76.7 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.3 | -178.6 | 69.3 | 0 | 0 | 0 | 0 | 114.1 | L752 A753 L754 | L752-S756 WeakPolarHBondContact O-CB 3.5Å; L752-S756 PolarHBondContact O-N 3.13Å; A753-S756 PolarHBondContact O-N 3.17Å; A753-S756 PolarHBondContact O-OG 2.67Å; L754-S756 VanDerWaalsContact C-N 3.27Å; L754-S756 PolarHBondContact O-N 3.01Å |
| 757 | G | 63.4 | Low | 76.9 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -34.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E755 | E755-G757 PolarHBondContact O-N 3.38Å; E755-G757 VanDerWaalsContact O-N 3.09Å |
| 758 | D | 69.9 | Low | 77.1 | Confident | 155 Ų | 155 | 67.1 Ų | 67.1 | 83% | 0.829 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -33.2 | -174.1 | -69.5 | -33.6 | 0 | 0 | 0 | 113.1 | E755 | E755-D758 PolarHBondContact O-N 2.93Š|
| 759 | N | 75.6 | Confident | 77.4 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | trans | -103 | 110.3 | -175.8 | -79.7 | -22.7 | 0 | 0 | 0 | 111.8 | E755 E761 A762 A763 | E755-N759 HydrophobicContact CB-CB 4.47Å; E755-N759 WeakPolarHBondContact O-CB 3.35Å; E755-N759 PolarHBondContact O-N 3.03Å; N759-E761 VanDerWaalsContact C-N 3.27Å; N759-E761 PolarHBondContact O-N 3.48Å; N759-A762 HydrophobicContact CB-CB 3.77Å; N759-A762 PolarHBondContact O-N 3.19Å; N759-A763 PolarHBondContact O-N 2.8Å | ||
| 760 | E | 73.1 | Confident | 77.6 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59 | -35.1 | 175.9 | -70.3 | -167.9 | 168.9 | 0 | 0 | 113.2 | A763 R764 | E760-A763 PolarHBondContact O-N 2.78Å; E760-R764 WeakPolarHBondContact O-CG 3.35Å; E760-R764 PolarHBondContact O-N 2.99Å |
| 761 | E | 73.6 | Confident | 77.9 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 177.7 | -69 | -172.4 | 165.6 | 0 | 0 | 111.8 | N759 A763 R764 V765 | N759-E761 VanDerWaalsContact C-N 3.27Å; N759-E761 PolarHBondContact O-N 3.48Å; E761-A763 VanDerWaalsContact C-N 3.32Å; E761-A763 PolarHBondContact O-N 3.36Å; E761-R764 PolarHBondContact O-N 3.26Å; E761-V765 WeakPolarHBondContact O-CG2 3.32Å; E761-V765 PolarHBondContact O-N 2.9Å |
| 762 | A | 77.8 | Confident | 78.3 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L752 E755 N759 R764 V765 L766 | L752-A762 HydrophobicContact CD2-CB 3.77Å; E755-A762 HydrophobicContact CB-CB 4.11Å; N759-A762 HydrophobicContact CB-CB 3.77Å; N759-A762 PolarHBondContact O-N 3.19Å; A762-R764 PolarHBondContact O-N 2.92Å; A762-V765 PolarHBondContact O-N 3.05Å; A762-L766 WeakPolarHBondContact O-CB 3.37Å; A762-L766 PolarHBondContact O-N 2.91Å |
| 763 | A | 76.9 | Confident | 78.7 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N759 E760 E761 L766 E767 | N759-A763 PolarHBondContact O-N 2.8Å; E760-A763 PolarHBondContact O-N 2.78Å; E761-A763 VanDerWaalsContact C-N 3.32Å; E761-A763 PolarHBondContact O-N 3.36Å; A763-L766 PolarHBondContact O-N 3.02Å; A763-E767 VanDerWaalsContact O-CB 3.24Å; A763-E767 WeakPolarHBondContact O-CB 3.48Å; A763-E767 PolarHBondContact O-N 3.3Å |
| 764 | R | 79.8 | Confident | 79.1 | Confident | 182 Ų | 182 | 63.4 Ų | 63.4 | 69% | 0.687 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 175.9 | -81 | -175.2 | -175.1 | 166.4 | 7.5 | 112.8 | E760 E761 A762 Y768 | E760-R764 WeakPolarHBondContact O-CG 3.35Å; E760-R764 PolarHBondContact O-N 2.99Å; E761-R764 PolarHBondContact O-N 3.26Å; A762-R764 PolarHBondContact O-N 2.92Å; R764-Y768 WeakPolarHBondContact O-CB 3.34Å; R764-Y768 PolarHBondContact O-N 3.33Å |
| 765 | V | 82.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 57 Ų | 57 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | I739 L752 E761 A762 Y768 Y769 | I739-V765 HydrophobicContact CD1-CG1 4.3Å; L752-V765 HydrophobicContact CD1-CG1 4.41Å; E761-V765 WeakPolarHBondContact O-CG2 3.32Å; E761-V765 PolarHBondContact O-N 2.9Å; A762-V765 PolarHBondContact O-N 3.05Å; V765-Y768 PolarHBondContact O-N 2.78Å; V765-Y769 WeakPolarHBondContact O-CB 3.4Å; V765-Y769 PolarHBondContact O-N 3.17Å |
| 766 | L | 82.1 | Confident | 80.2 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 178.2 | -160.8 | 107 | 0 | 0 | 0 | 111.7 | L749 L752 A753 A762 A763 Y769 K770 P818 L821 | L749-L766 HydrophobicContact CD1-CD1 4.21Å; L752-L766 HydrophobicContact CB-CD1 4.08Å; A753-L766 HydrophobicContact CB-CD1 4.14Å; A762-L766 WeakPolarHBondContact O-CB 3.37Å; A762-L766 PolarHBondContact O-N 2.91Å; A763-L766 PolarHBondContact O-N 3.02Å; L766-Y769 PolarHBondContact O-N 3.41Å; L766-K770 PolarHBondContact O-N 3.34Å; L766-P818 HydrophobicContact CD2-CG 4.33Å; L766-L821 HydrophobicContact CD1-CD2 4.49Å |
| 767 | E | 80.3 | Confident | 81.2 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.8 | -177.7 | 61.6 | -166.4 | 0 | 0 | 111.8 | A763 K770 R771 | A763-E767 VanDerWaalsContact O-CB 3.24Å; A763-E767 WeakPolarHBondContact O-CB 3.48Å; A763-E767 PolarHBondContact O-N 3.3Å; E767-K770 PolarHBondContact O-N 3.18Å; E767-K770 IonicContact OE2-NZ 2.74Å; E767-R771 WeakPolarHBondContact O-CG 3.39Å; E767-R771 PolarHBondContact O-N 3.12Å; E767-R771 VanDerWaalsContact O-N 3.13Å; E767-R771 IonicContact OE1-CZ 2.67Å; E767-R771 VanDerWaalsContact OE1-CZ 3.25Å; E767-R771 IonicContact OE1-NE 3.1Å; E767-R771 PolarHBondContact OE1-NE 3.01Å; E767-R771 IonicContact OE1-NH2 3.9Å; E767-R771 PolarHBondContact OE1-NH2 3.3Å |
| 768 | Y | 85.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 172.1 | -173 | -84.4 | 0 | 0 | 0 | 111.5 | V679 L688 I721 L723 W741 R764 V765 R771 Q772 | V679-Y768 HydrophobicContact CG1-CE2 4.46Å; V679-Y768 WeakPolarHBondContact CG1-OH 3.38Å; L688-Y768 HydrophobicContact CD1-CD1 4.43Å; L688-Y768 HydrophobicContact CD1-CD2 4.36Å; L688-Y768 HydrophobicContact CD1-CE1 4Å; L688-Y768 HydrophobicContact CD1-CE2 3.91Å; L688-Y768 HydrophobicContact CG-CE2 4.44Å; I721-Y768 PolarHBondContact O-OH 3.27Å; L723-Y768 HydrophobicContact CD1-CD1 3.75Å; L723-Y768 HydrophobicContact CD1-CE1 4.37Å; L723-Y768 HydrophobicContact CG-CD1 4.41Å; W741-Y768 AromaticContact CH2-CD1 3.83Å; W741-Y768 HydrophobicContact CH2-CD1 3.83Å; W741-Y768 AromaticContact CH2-CE1 3.42Å; W741-Y768 HydrophobicContact CH2-CE1 3.42Å; W741-Y768 VanDerWaalsContact CH2-CE1 3.42Å; W741-Y768 HydrophobicContact CH2-CE2 4.33Å; W741-Y768 HydrophobicContact CH2-CG 4.43Å; W741-Y768 AromaticContact CH2-CZ 3.71Å; W741-Y768 HydrophobicContact CZ2-CD1 4.23Å; W741-Y768 HydrophobicContact CZ2-CE1 4.28Å; W741-Y768 HydrophobicContact CZ3-CE1 4.07Å; R764-Y768 WeakPolarHBondContact O-CB 3.34Å; R764-Y768 PolarHBondContact O-N 3.33Å; V765-Y768 PolarHBondContact O-N 2.78Å; Y768-R771 PolarHBondContact O-N 3.48Å; Y768-Q772 PolarHBondContact O-N 3.01Å |
| 769 | Y | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.1 | -174.6 | -118.6 | 0 | 0 | 0 | 112.4 | L723 T725 I739 L749 V765 L766 R771 Q772 L773 L821 F825 | L723-Y769 HydrophobicContact CB-CD2 3.99Å; L723-Y769 HydrophobicContact CB-CE2 4.47Å; L723-Y769 HydrophobicContact CD1-CD2 3.89Å; L723-Y769 HydrophobicContact CD1-CG 4.22Å; T725-Y769 WeakPolarHBondContact CG2-OH 3.34Å; T725-Y769 WeakPolarHBondContact OG1-CE2 3.33Å; T725-Y769 PolarHBondContact OG1-OH 3.12Å; I739-Y769 HydrophobicContact CD1-CD1 4.37Å; I739-Y769 HydrophobicContact CD1-CG 4.28Å; I739-Y769 HydrophobicContact CG2-CD1 4.41Å; I739-Y769 HydrophobicContact CG2-CD2 4.33Å; I739-Y769 HydrophobicContact CG2-CE1 4.02Å; I739-Y769 HydrophobicContact CG2-CE2 3.95Å; L749-Y769 HydrophobicContact CD1-CD1 4.12Å; L749-Y769 HydrophobicContact CD1-CE1 4.19Å; L749-Y769 HydrophobicContact CD2-CE1 4.45Å; V765-Y769 WeakPolarHBondContact O-CB 3.4Å; V765-Y769 PolarHBondContact O-N 3.17Å; L766-Y769 PolarHBondContact O-N 3.41Å; Y769-R771 PolarHBondContact O-N 3.11Å; Y769-Q772 WeakPolarHBondContact O-CB 3.47Å; Y769-Q772 PolarHBondContact O-N 3.34Å; Y769-L773 HydrophobicContact CD1-CD1 4.11Å; Y769-L773 HydrophobicContact CE1-CD1 3.76Å; Y769-L773 HydrophobicContact CE1-CD2 4.5Å; Y769-L773 HydrophobicContact CE1-CG 4.26Å; Y769-L773 HydrophobicContact CE2-CD2 4.4Å; Y769-L773 WeakPolarHBondContact O-CG 3.36Å; Y769-L773 PolarHBondContact O-N 2.7Å; Y769-L821 HydrophobicContact CD1-CD1 4.45Å; Y769-F825 AromaticContact CE1-CZ 3.88Å; Y769-F825 HydrophobicContact CE1-CZ 3.88Å |
| 770 | K | 85.1 | Confident | 83 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.4 | -50.2 | 172.6 | 178.2 | -166.9 | 163.5 | -164.1 | 0 | 111.4 | L766 E767 Q772 L773 D774 L821 | L766-K770 PolarHBondContact O-N 3.34Å; E767-K770 PolarHBondContact O-N 3.18Å; E767-K770 IonicContact OE2-NZ 2.74Å; K770-Q772 VanDerWaalsContact C-N 3.29Å; K770-Q772 PolarHBondContact O-N 3.21Å; K770-L773 WeakPolarHBondContact O-CB 3.44Å; K770-L773 PolarHBondContact O-N 3.47Å; K770-D774 PolarHBondContact O-N 2.96Å; K770-L821 HydrophobicContact CB-CD1 4.07Å; K770-L821 HydrophobicContact CG-CD1 4.49Å |
| 771 | R | 85.8 | Confident | 83.4 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -31.7 | 179.6 | -65.5 | 174 | -169.2 | -162.1 | 9.3 | 112.7 | G685 R686 L688 D689 E767 Y768 Y769 D774 L775 | G685-R771 VanDerWaalsContact C-NH1 3.34Å; G685-R771 WeakPolarHBondContact O-CD 3.45Å; R686-R771 VanDerWaalsContact CA-NH1 3.33Å; R686-R771 VanDerWaalsContact N-NH1 3.1Å; L688-R771 HydrophobicContact CB-CB 4.3Å; L688-R771 HydrophobicContact CD1-CB 4.42Å; D689-R771 VanDerWaalsContact OD1-CD 3.29Å; D689-R771 WeakPolarHBondContact OD1-CD 3.49Å; D689-R771 VanDerWaalsContact OD1-CG 3.25Å; D689-R771 WeakPolarHBondContact OD1-CG 3.41Å; D689-R771 IonicContact OD1-NE 3.52Å; D689-R771 WeakPolarHBondContact OD2-CD 3.44Å; D689-R771 IonicContact OD2-CZ 2.7Å; D689-R771 VanDerWaalsContact OD2-CZ 3.26Å; D689-R771 IonicContact OD2-NE 3.6Å; D689-R771 PolarHBondContact OD2-NE 2.95Å; D689-R771 IonicContact OD2-NH1 3.33Å; D689-R771 PolarHBondContact OD2-NH1 3.1Å; E767-R771 WeakPolarHBondContact O-CG 3.39Å; E767-R771 PolarHBondContact O-N 3.12Å; E767-R771 VanDerWaalsContact O-N 3.13Å; E767-R771 IonicContact OE1-CZ 2.67Å; E767-R771 VanDerWaalsContact OE1-CZ 3.25Å; E767-R771 IonicContact OE1-NE 3.1Å; E767-R771 PolarHBondContact OE1-NE 3.01Å; E767-R771 IonicContact OE1-NH2 3.9Å; E767-R771 PolarHBondContact OE1-NH2 3.3Å; Y768-R771 PolarHBondContact O-N 3.48Å; Y769-R771 PolarHBondContact O-N 3.11Å; R771-D774 PolarHBondContact O-N 3.02Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 PolarHBondContact O-N 3.26Å |
| 772 | Q | 90.2 | Very high | 83.3 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 169.6 | -178.8 | -176.7 | -61.9 | 0 | 0 | 111.6 | L688 L722 L723 Y768 Y769 K770 L775 F776 | L688-Q772 HydrophobicContact CD1-CB 4.16Å; L722-Q772 HydrophobicContact CD2-CG 4.18Å; L723-Q772 PolarHBondContact O-NE2 3.43Å; L723-Q772 VanDerWaalsContact O-NE2 3.1Å; Y768-Q772 PolarHBondContact O-N 3.01Å; Y769-Q772 WeakPolarHBondContact O-CB 3.47Å; Y769-Q772 PolarHBondContact O-N 3.34Å; K770-Q772 VanDerWaalsContact C-N 3.29Å; K770-Q772 PolarHBondContact O-N 3.21Å; Q772-L775 PolarHBondContact O-N 3.01Å; Q772-F776 HydrophobicContact CG-CD2 4.32Å; Q772-F776 HydrophobicContact CG-CE1 3.99Å; Q772-F776 HydrophobicContact CG-CE2 3.74Å; Q772-F776 HydrophobicContact CG-CZ 3.55Å; Q772-F776 VanDerWaalsContact O-CG 3.28Å; Q772-F776 WeakPolarHBondContact O-CG 3.27Å; Q772-F776 PolarHBondContact O-N 3.44Å |
| 773 | L | 86.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.2 | -65.7 | 172.7 | 0 | 0 | 0 | 111.9 | Y769 K770 F776 S777 L803 L821 F825 L828 | Y769-L773 HydrophobicContact CD1-CD1 4.11Å; Y769-L773 HydrophobicContact CE1-CD1 3.76Å; Y769-L773 HydrophobicContact CE1-CD2 4.5Å; Y769-L773 HydrophobicContact CE1-CG 4.26Å; Y769-L773 HydrophobicContact CE2-CD2 4.4Å; Y769-L773 WeakPolarHBondContact O-CG 3.36Å; Y769-L773 PolarHBondContact O-N 2.7Å; K770-L773 WeakPolarHBondContact O-CB 3.44Å; K770-L773 PolarHBondContact O-N 3.47Å; L773-F776 PolarHBondContact O-N 3.5Å; L773-S777 WeakPolarHBondContact O-CB 3.22Å; L773-S777 PolarHBondContact O-N 2.89Å; L773-L803 HydrophobicContact CD2-CD1 4.42Å; L773-L821 HydrophobicContact CD1-CD1 3.92Å; L773-F825 HydrophobicContact CD1-CD1 3.97Å; L773-F825 HydrophobicContact CD1-CD2 4.37Å; L773-F825 HydrophobicContact CD1-CE1 3.59Å; L773-F825 HydrophobicContact CD1-CE2 4.02Å; L773-F825 HydrophobicContact CD1-CG 4.36Å; L773-F825 HydrophobicContact CD1-CZ 3.63Å; L773-F825 HydrophobicContact CD2-CD1 4.41Å; L773-F825 HydrophobicContact CD2-CE1 3.99Å; L773-F825 HydrophobicContact CG-CE1 4.47Å; L773-L828 HydrophobicContact CD2-CD2 3.8Å |
| 774 | D | 84.5 | Confident | 83 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.4 | -74.8 | -35.1 | 0 | 0 | 0 | 111.4 | K770 R771 S777 Q778 S824 R827 | K770-D774 PolarHBondContact O-N 2.96Å; R771-D774 PolarHBondContact O-N 3.02Å; D774-S777 WeakPolarHBondContact O-CB 3.34Å; D774-S777 PolarHBondContact O-N 3.36Å; D774-Q778 WeakPolarHBondContact O-CG 3.47Å; D774-Q778 PolarHBondContact O-N 3.31Å; D774-S824 PolarHBondContact OD1-OG 2.89Å; D774-R827 IonicContact OD1-NH1 3.61Å; D774-R827 PolarHBondContact OD1-NH1 3.19Å |
| 775 | L | 87.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 172.7 | 177.6 | 60 | 0 | 0 | 0 | 111.1 | L688 L691 T692 V713 R771 Q772 S777 Q778 M779 | L688-L775 HydrophobicContact CD2-CD2 4.05Å; L691-L775 HydrophobicContact CB-CD1 3.95Å; L691-L775 HydrophobicContact CB-CD2 4.39Å; L691-L775 HydrophobicContact CD1-CD2 4.46Å; T692-L775 WeakPolarHBondContact OG1-CA 3.22Å; T692-L775 WeakPolarHBondContact OG1-CB 3.27Å; V713-L775 HydrophobicContact CG1-CD2 4.45Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 PolarHBondContact O-N 3.26Å; Q772-L775 PolarHBondContact O-N 3.01Å; L775-S777 VanDerWaalsContact C-N 3.3Å; L775-S777 PolarHBondContact O-N 3.27Å; L775-Q778 PolarHBondContact O-N 2.88Å; L775-M779 HydrophobicContact CD1-CG 4.04Å; L775-M779 HydrophobicContact CD1-SD 4.04Å; L775-M779 HydrophobicContact CD2-SD 4.36Å; L775-M779 HydrophobicContact CG-CG 4.27Å; L775-M779 HydrophobicContact CG-SD 3.78Å; L775-M779 WeakPolarHBondContact O-CB 3.41Å; L775-M779 WeakPolarHBondContact O-CG 3.48Å; L775-M779 PolarHBondContact O-N 3.24Å |
| 776 | F | 88.8 | Confident | 82 | Confident | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.6 | -67.8 | -13.1 | 0 | 0 | 0 | 112.2 | L714 L722 Q772 L773 Q778 M779 C780 L799 L803 L828 | L714-F776 HydrophobicContact CD2-CE1 4.11Å; L722-F776 HydrophobicContact CD1-CE1 4.44Å; L722-F776 HydrophobicContact CD1-CZ 4.27Å; L722-F776 HydrophobicContact CD2-CE1 4.14Å; L722-F776 HydrophobicContact CD2-CZ 4.12Å; Q772-F776 HydrophobicContact CG-CD2 4.32Å; Q772-F776 HydrophobicContact CG-CE1 3.99Å; Q772-F776 HydrophobicContact CG-CE2 3.74Å; Q772-F776 HydrophobicContact CG-CZ 3.55Å; Q772-F776 VanDerWaalsContact O-CG 3.28Å; Q772-F776 WeakPolarHBondContact O-CG 3.27Å; Q772-F776 PolarHBondContact O-N 3.44Å; L773-F776 PolarHBondContact O-N 3.5Å; F776-Q778 VanDerWaalsContact C-N 3.35Å; F776-Q778 PolarHBondContact O-N 2.91Å; F776-M779 HydrophobicContact CD1-SD 4.33Å; F776-M779 PolarHBondContact O-N 2.93Å; F776-C780 PolarHBondContact O-N 3.2Å; F776-C780 PolarHBondContact O-SG 2.91Å; F776-L799 HydrophobicContact CB-CD1 4.19Å; F776-L799 HydrophobicContact CD1-CD1 4.2Å; F776-L799 HydrophobicContact CD1-CD2 4.29Å; F776-L799 HydrophobicContact CD2-CD2 4.1Å; F776-L799 HydrophobicContact CE1-CD2 4.19Å; F776-L799 HydrophobicContact CE2-CD2 3.97Å; F776-L799 HydrophobicContact CG-CD1 4.12Å; F776-L799 HydrophobicContact CG-CD2 4.25Å; F776-L799 HydrophobicContact CZ-CD2 4.02Å; F776-L803 HydrophobicContact CD2-CD1 4.27Å; F776-L828 HydrophobicContact CB-CD1 3.89Å |
| 777 | S | 86.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | L773 D774 L775 C780 L781 R827 H831 | L773-S777 WeakPolarHBondContact O-CB 3.22Å; L773-S777 PolarHBondContact O-N 2.89Å; D774-S777 WeakPolarHBondContact O-CB 3.34Å; D774-S777 PolarHBondContact O-N 3.36Å; L775-S777 VanDerWaalsContact C-N 3.3Å; L775-S777 PolarHBondContact O-N 3.27Å; S777-C780 PolarHBondContact O-N 3.45Å; S777-L781 PolarHBondContact O-N 2.95Å; S777-L781 VanDerWaalsContact O-N 3.14Å; S777-R827 VanDerWaalsContact OG-CD 3.3Å; S777-R827 WeakPolarHBondContact OG-CD 3.39Å; S777-R827 WeakPolarHBondContact OG-CG 3.25Å; S777-R827 PolarHBondContact OG-O 3.33Å; S777-H831 PolarHBondContact OG-CD2 3.49Å |
| 778 | Q | 84.6 | Confident | 81.1 | Confident | 40 Ų | 40 | 17.4 Ų | 17.4 | 19% | 0.187 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -74.5 | -26.3 | 176.8 | -64.3 | -59.1 | -13.1 | 0 | 0 | 114 | T692 C695 V696 Q706 D774 L775 F776 C780 L781 | T692-Q778 HydrophobicContact CG2-CB 4.06Å; T692-Q778 HydrophobicContact CG2-CG 3.54Å; C695-Q778 HydrophobicContact CB-CB 4.11Å; V696-Q778 HydrophobicContact CG2-CB 4.37Å; V696-Q778 HydrophobicContact CG2-CG 4.22Å; Q706-Q778 PolarHBondContact NE2-O 3.35Å; D774-Q778 WeakPolarHBondContact O-CG 3.47Å; D774-Q778 PolarHBondContact O-N 3.31Å; L775-Q778 PolarHBondContact O-N 2.88Å; F776-Q778 VanDerWaalsContact C-N 3.35Å; F776-Q778 PolarHBondContact O-N 2.91Å; Q778-C780 VanDerWaalsContact C-N 3.3Å; Q778-L781 WeakPolarHBondContact O-CB 3.37Å; Q778-L781 PolarHBondContact O-N 2.94Å |
| 779 | M | 83 | Confident | 80.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.5 | -29.7 | 170.9 | -72.5 | 175 | 76.6 | 0 | 0 | 111.7 | I709 C710 L714 L775 F776 Q784 A787 | I709-M779 HydrophobicContact CG2-CE 4.02Å; I709-M779 HydrophobicContact CG2-CG 4.38Å; I709-M779 HydrophobicContact CG2-SD 4.17Å; C710-M779 HydrophobicContact CB-CE 3.97Å; C710-M779 WeakPolarHBondContact SG-CE 3.25Å; L714-M779 HydrophobicContact CD1-CE 3.74Å; L714-M779 HydrophobicContact CD2-CE 4.23Å; L714-M779 HydrophobicContact CG-CE 3.68Å; L775-M779 HydrophobicContact CD1-CG 4.04Å; L775-M779 HydrophobicContact CD1-SD 4.04Å; L775-M779 HydrophobicContact CD2-SD 4.36Å; L775-M779 HydrophobicContact CG-CG 4.27Å; L775-M779 HydrophobicContact CG-SD 3.78Å; L775-M779 WeakPolarHBondContact O-CB 3.41Å; L775-M779 WeakPolarHBondContact O-CG 3.48Å; L775-M779 PolarHBondContact O-N 3.24Å; F776-M779 HydrophobicContact CD1-SD 4.33Å; F776-M779 PolarHBondContact O-N 2.93Å; M779-Q784 WeakPolarHBondContact O-CB 3.47Å; M779-Q784 VanDerWaalsContact O-CG 3.25Å; M779-Q784 WeakPolarHBondContact O-CG 3.35Å; M779-A787 HydrophobicContact CB-CB 4.31Å |
| 780 | C | 80.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -90.4 | -6.4 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | F776 S777 Q778 R783 I788 H831 | F776-C780 PolarHBondContact O-N 3.2Å; F776-C780 PolarHBondContact O-SG 2.91Å; S777-C780 PolarHBondContact O-N 3.45Å; Q778-C780 VanDerWaalsContact C-N 3.3Å; C780-R783 PolarHBondContact O-N 3.42Å; C780-I788 HydrophobicContact CB-CD1 4.15Å; C780-I788 HydrophobicContact CB-CG1 4.01Å; C780-H831 HydrophobicContact CB-CB 3.89Å |
| 781 | L | 79.9 | Confident | 78.6 | Confident | 23 Ų | 23 | 19.5 Ų | 19.5 | 12% | 0.12 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -57 | 143.5 | 178.5 | -177.8 | 67.2 | 0 | 0 | 0 | 110.6 | V696 A701 S777 Q778 R783 H831 | V696-L781 HydrophobicContact CG2-CD2 4.1Å; A701-L781 HydrophobicContact CB-CD2 4.21Å; A701-L781 HydrophobicContact CB-CG 4.34Å; S777-L781 PolarHBondContact O-N 2.95Å; S777-L781 VanDerWaalsContact O-N 3.14Å; Q778-L781 WeakPolarHBondContact O-CB 3.37Å; Q778-L781 PolarHBondContact O-N 2.94Å; L781-R783 PolarHBondContact O-N 3.28Å; L781-H831 WeakPolarHBondContact CD1-CE1 3.24Å |
| 782 | D | 71.4 | Confident | 77.6 | Confident | 84 Ų | 84 | 21.4 Ų | 21.4 | 45% | 0.449 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | 54.4 | 32.1 | -176.6 | -66.2 | -18.5 | 0 | 0 | 0 | 114.8 | A701 | A701-D782 HydrophobicContact CB-CB 3.91Å; A701-D782 VanDerWaalsContact CB-OD2 3.3Å; A701-D782 WeakPolarHBondContact CB-OD2 3.43Å; A701-D782 PolarHBondContact N-OD2 3.13Å |
| 783 | R | 74.1 | Confident | 76.3 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 17% | 0.174 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 64.1 | 43.7 | 172.3 | -58.6 | 172.7 | 174.7 | -161 | -10.7 | 114.1 | C780 L781 F785 I835 L838 E1146 | C780-R783 PolarHBondContact O-N 3.42Å; L781-R783 PolarHBondContact O-N 3.28Å; R783-F785 HydrophobicContact CB-CE2 4.1Å; R783-F785 HydrophobicContact CB-CZ 4.13Å; R783-F785 WeakPolarHBondContact O-CD2 2.91Å; R783-F785 VanDerWaalsContact O-CE2 3.32Å; R783-F785 WeakPolarHBondContact O-CE2 3.22Å; R783-F785 PolarHBondContact O-N 3.42Å; R783-I835 HydrophobicContact CG-CG2 3.58Å; R783-I835 VanDerWaalsContact CZ-O 3.26Å; R783-I835 VanDerWaalsContact NE-CG2 3.29Å; R783-I835 PolarHBondContact NE-O 3.18Å; R783-I835 PolarHBondContact NH2-O 3.49Å; R783-L838 PolarHBondContact NH2-O 3.06Å; R783-E1146 IonicContact CZ-OE2 2.95Å; R783-E1146 IonicContact NH1-OE1 3.58Å; R783-E1146 IonicContact NH1-OE2 2.8Å; R783-E1146 PolarHBondContact NH1-OE2 2.81Å |
| 784 | Q | 76 | Confident | 75.3 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | trans | -67.2 | 97.1 | 174.9 | 177.4 | 56.3 | -97.9 | 0 | 0 | 111.9 | M779 L786 A787 I788 E1149 | M779-Q784 WeakPolarHBondContact O-CB 3.47Å; M779-Q784 VanDerWaalsContact O-CG 3.25Å; M779-Q784 WeakPolarHBondContact O-CG 3.35Å; Q784-L786 PolarHBondContact O-N 3.37Å; Q784-A787 PolarHBondContact O-N 3.47Å; Q784-I788 WeakPolarHBondContact O-CD1 3.46Å; Q784-I788 WeakPolarHBondContact O-CG1 3.29Å; Q784-I788 PolarHBondContact O-N 3.22Å; Q784-E1149 PolarHBondContact OE1-OE1 3.13Å | ||
| 785 | F | 72.5 | Confident | 74.6 | Confident | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.2 | -19.2 | -170.4 | -67.3 | -77.8 | 0 | 0 | 0 | 113.1 | R783 A787 I788 D789 E1146 K1147 E1149 L1150 | R783-F785 HydrophobicContact CB-CE2 4.1Å; R783-F785 HydrophobicContact CB-CZ 4.13Å; R783-F785 WeakPolarHBondContact O-CD2 2.91Å; R783-F785 VanDerWaalsContact O-CE2 3.32Å; R783-F785 WeakPolarHBondContact O-CE2 3.22Å; R783-F785 PolarHBondContact O-N 3.42Å; F785-A787 PolarHBondContact O-N 2.93Å; F785-I788 PolarHBondContact O-N 3.07Å; F785-D789 CarbonylContact O-C 3.55Å; F785-D789 PolarHBondContact O-N 3.23Å; F785-E1146 HydrophobicContact CE2-CB 4.38Å; F785-E1146 WeakPolarHBondContact CE2-O 3.39Å; F785-K1147 HydrophobicContact CD2-CG 4.23Å; F785-K1147 HydrophobicContact CE1-CG 4.49Å; F785-K1147 HydrophobicContact CE2-CG 4.01Å; F785-K1147 HydrophobicContact CZ-CG 4.14Å; F785-E1149 WeakPolarHBondContact CB-OE1 3.19Å; F785-E1149 WeakPolarHBondContact CD2-OE1 3.25Å; F785-E1149 PolarHBondContact N-OE1 2.85Å; F785-L1150 HydrophobicContact CB-CD1 4.47Å; F785-L1150 HydrophobicContact CB-CD2 4.45Å |
| 786 | L | 68.1 | Low | 74.2 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -26.7 | 173.2 | -65.5 | 179 | 0 | 0 | 0 | 113.5 | E707 C710 Q784 P790 K794 | E707-L786 HydrophobicContact CB-CD1 4.11Å; E707-L786 HydrophobicContact CG-CD1 3.82Å; C710-L786 HydrophobicContact CB-CB 4.17Å; Q784-L786 PolarHBondContact O-N 3.37Å; L786-P790 WeakPolarHBondContact O-CB 3.41Å; L786-K794 HydrophobicContact CD2-CD 4.25Å |
| 787 | A | 70.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.3 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L714 M779 Q784 F785 L799 | L714-A787 HydrophobicContact CD1-CB 3.84Å; M779-A787 HydrophobicContact CB-CB 4.31Å; Q784-A787 PolarHBondContact O-N 3.47Å; F785-A787 PolarHBondContact O-N 2.93Å; A787-L799 HydrophobicContact CB-CD1 4.05Å; A787-L799 WeakPolarHBondContact O-CB 3.47Å; A787-L799 WeakPolarHBondContact O-CG 3.34Å; A787-L799 PolarHBondContact O-N 3.15Å |
| 788 | I | 72.9 | Confident | 73.4 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.6 | -53.7 | -171.6 | -63.1 | 157.6 | 0 | 0 | 0 | 111 | C780 Q784 F785 N798 S800 L832 T836 | C780-I788 HydrophobicContact CB-CD1 4.15Å; C780-I788 HydrophobicContact CB-CG1 4.01Å; Q784-I788 WeakPolarHBondContact O-CD1 3.46Å; Q784-I788 WeakPolarHBondContact O-CG1 3.29Å; Q784-I788 PolarHBondContact O-N 3.22Å; F785-I788 PolarHBondContact O-N 3.07Å; I788-N798 PolarHBondContact O-OD1 2.98Å; I788-S800 VanDerWaalsContact O-CB 3.25Å; I788-S800 WeakPolarHBondContact O-CB 3.29Å; I788-S800 PolarHBondContact O-N 2.85Å; I788-S800 PolarHBondContact O-OG 3.39Å; I788-L832 HydrophobicContact CB-CD1 4.36Å; I788-L832 HydrophobicContact CG1-CD1 4.08Å; I788-L832 HydrophobicContact CG2-CD1 4.32Å; I788-T836 HydrophobicContact CB-CG2 4.36Å; I788-T836 HydrophobicContact CD1-CG2 3.25Å; I788-T836 HydrophobicContact CG1-CG2 3.95Å; I788-T836 HydrophobicContact CG2-CG2 3.65Å |
| 789 | D | 71.1 | Confident | 73.3 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -144.1 | 70.3 | -178.1 | -163.7 | 29.3 | 0 | 0 | 0 | 111.3 | F785 N798 | F785-D789 CarbonylContact O-C 3.55Å; F785-D789 PolarHBondContact O-N 3.23Å; D789-N798 PolarHBondContact OD1-ND2 2.84Å |
| 790 | P | 72.4 | Confident | 73.1 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.045 | 19% | 0.19 | C | C | . | . | trans | -64.9 | 149.3 | 179.6 | 22.5 | -31.1 | 0 | 0 | 0 | 112.3 | L786 L796 N798 | L786-P790 WeakPolarHBondContact O-CB 3.41Å; P790-L796 HydrophobicContact CB-CB 3.78Å; P790-L796 HydrophobicContact CB-CD1 3.98Å; P790-L796 HydrophobicContact CB-CG 4.43Å; P790-L796 HydrophobicContact CG-CB 3.94Å; P790-N798 HydrophobicContact CG-CB 4.11Å | ||
| 791 | P | 64.5 | Low | 73.1 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | trans | -71.5 | 136.9 | 174.3 | 31.6 | -35 | 0 | 0 | 0 | 110.8 | N793 K794 | P791-N793 WeakPolarHBondContact CB-OD1 3.45Å; P791-N793 WeakPolarHBondContact CG-OD1 3.45Å; P791-N793 PolarHBondContact O-N 3.37Å; P791-N793 PolarHBondContact O-OD1 3.36Å; P791-K794 HydrophobicContact CG-CD 4Å; P791-K794 HydrophobicContact CG-CG 4.07Å; P791-K794 PolarHBondContact O-N 3.03Å | ||
| 792 | D | 63.8 | Low | 73.1 | Confident | 94 Ų | 94 | 45 Ų | 45 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -54.9 | -27.2 | -173.5 | -67.3 | -31 | 0 | 0 | 0 | 113.5 | K794 M795 R801 | D792-K794 VanDerWaalsContact C-N 3.28Å; D792-K794 PolarHBondContact O-N 2.9Å; D792-M795 PolarHBondContact O-N 3.31Å; D792-R801 IonicContact OD1-NH1 3.8Å |
| 793 | N | 63 | Low | 73.8 | Confident | 130 Ų | 130 | 41.2 Ų | 41.2 | 70% | 0.695 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -68.1 | -20.7 | 179 | 62.6 | -11.3 | 0 | 0 | 0 | 114.3 | P791 | P791-N793 WeakPolarHBondContact CB-OD1 3.45Å; P791-N793 WeakPolarHBondContact CG-OD1 3.45Å; P791-N793 PolarHBondContact O-N 3.37Å; P791-N793 PolarHBondContact O-OD1 3.36Å |
| 794 | K | 66.2 | Low | 74.2 | Confident | 78 Ų | 78 | 41.2 Ų | 41.2 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -86.7 | -6.6 | 178.8 | -71.3 | -172.5 | 179.6 | 179.6 | 0 | 113.5 | L711 L786 P791 D792 L796 | L711-K794 HydrophobicContact CD2-CD 4.28Å; L786-K794 HydrophobicContact CD2-CD 4.25Å; P791-K794 HydrophobicContact CG-CD 4Å; P791-K794 HydrophobicContact CG-CG 4.07Å; P791-K794 PolarHBondContact O-N 3.03Å; D792-K794 VanDerWaalsContact C-N 3.28Å; D792-K794 PolarHBondContact O-N 2.9Å; K794-L796 VanDerWaalsContact C-N 3.25Å; K794-L796 HydrophobicContact CB-CD1 3.86Å; K794-L796 HydrophobicContact CB-CG 3.83Å; K794-L796 HydrophobicContact CD-CD1 4.17Å; K794-L796 PolarHBondContact O-N 3.41Å |
| 795 | M | 69.3 | Low | 74.4 | Confident | 106 Ų | 106 | 41.6 Ų | 41.6 | 52% | 0.522 | 21% | 0.21 | S | C | . | . | trans | 49.3 | 45.8 | -178.6 | -53.1 | -130.2 | 74.7 | 0 | 0 | 112.7 | E716 D792 | E716-M795 PolarHBondContact N-O 3.2Å; E716-M795 WeakPolarHBondContact OE2-CE 3.5Å; D792-M795 PolarHBondContact O-N 3.31Å | ||
| 796 | L | 79.1 | Confident | 74.9 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 147.2 | 176.8 | -57.6 | 172.9 | 0 | 0 | 0 | 109.7 | L711 L714 N715 P790 K794 N798 | L711-L796 HydrophobicContact CD2-CD1 4.09Å; L714-L796 CarbonylContact O-C 3.56Å; L714-L796 WeakPolarHBondContact O-CA 3.41Å; N715-L796 HydrophobicContact CB-CD2 4.49Å; P790-L796 HydrophobicContact CB-CB 3.78Å; P790-L796 HydrophobicContact CB-CD1 3.98Å; P790-L796 HydrophobicContact CB-CG 4.43Å; P790-L796 HydrophobicContact CG-CB 3.94Å; K794-L796 VanDerWaalsContact C-N 3.25Å; K794-L796 HydrophobicContact CB-CD1 3.86Å; K794-L796 HydrophobicContact CB-CG 3.83Å; K794-L796 HydrophobicContact CD-CD1 4.17Å; K794-L796 PolarHBondContact O-N 3.41Å; L796-N798 PolarHBondContact O-N 2.88Å |
| 797 | L | 79 | Confident | 75.6 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -62.7 | 123.2 | 173.3 | -170 | 73.9 | 0 | 0 | 0 | 110 | L714 L722 L799 E802 | L714-L797 HydrophobicContact CB-CB 4.15Å; L714-L797 HydrophobicContact CD2-CB 4.42Å; L714-L797 HydrophobicContact CD2-CD2 4.42Å; L714-L797 WeakPolarHBondContact O-CB 3.24Å; L714-L797 PolarHBondContact O-N 2.87Å; L722-L797 HydrophobicContact CD1-CD2 4.33Å; L797-L799 HydrophobicContact CD2-CD2 4Å; L797-L799 PolarHBondContact O-N 3.16Å; L797-E802 HydrophobicContact CD1-CG 3.68Å; L797-E802 WeakPolarHBondContact CD1-OE1 3.16Å; L797-E802 HydrophobicContact CD2-CG 4.37Å; L797-E802 HydrophobicContact CG-CG 3.96Å | ||
| 798 | N | 79.6 | Confident | 76.3 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | trans | -85.9 | 100.8 | 175.6 | -173.9 | -41.2 | 0 | 0 | 0 | 109.4 | I788 D789 P790 L796 S800 R801 E802 | I788-N798 PolarHBondContact O-OD1 2.98Å; D789-N798 PolarHBondContact OD1-ND2 2.84Å; P790-N798 HydrophobicContact CG-CB 4.11Å; L796-N798 PolarHBondContact O-N 2.88Å; N798-S800 VanDerWaalsContact C-N 3.28Å; N798-S800 PolarHBondContact O-N 3.28Å; N798-S800 PolarHBondContact OD1-N 3.34Å; N798-S800 PolarHBondContact OD1-OG 2.77Å; N798-R801 HydrophobicContact CB-CB 4.2Å; N798-R801 HydrophobicContact CB-CG 4.21Å; N798-R801 PolarHBondContact O-N 3.15Å; N798-R801 PolarHBondContact OD1-N 3.18Å; N798-R801 VanDerWaalsContact OD1-N 3.14Å; N798-E802 WeakPolarHBondContact O-CG 3.44Å; N798-E802 PolarHBondContact O-N 2.86Å; N798-E802 VanDerWaalsContact O-N 3.12Å | ||
| 799 | L | 82.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | -175.9 | -66.7 | 179.7 | 0 | 0 | 0 | 112.4 | L714 F776 A787 L797 R801 E802 L803 L832 | L714-L799 HydrophobicContact CD1-CD1 4.26Å; L714-L799 HydrophobicContact CD1-CG 4.35Å; L714-L799 HydrophobicContact CD2-CD1 4.33Å; L714-L799 HydrophobicContact CD2-CD2 3.95Å; L714-L799 HydrophobicContact CD2-CG 4.24Å; F776-L799 HydrophobicContact CB-CD1 4.19Å; F776-L799 HydrophobicContact CD1-CD1 4.2Å; F776-L799 HydrophobicContact CD1-CD2 4.29Å; F776-L799 HydrophobicContact CD2-CD2 4.1Å; F776-L799 HydrophobicContact CE1-CD2 4.19Å; F776-L799 HydrophobicContact CE2-CD2 3.97Å; F776-L799 HydrophobicContact CG-CD1 4.12Å; F776-L799 HydrophobicContact CG-CD2 4.25Å; F776-L799 HydrophobicContact CZ-CD2 4.02Å; A787-L799 HydrophobicContact CB-CD1 4.05Å; A787-L799 WeakPolarHBondContact O-CB 3.47Å; A787-L799 WeakPolarHBondContact O-CG 3.34Å; A787-L799 PolarHBondContact O-N 3.15Å; L797-L799 HydrophobicContact CD2-CD2 4Å; L797-L799 PolarHBondContact O-N 3.16Å; L799-R801 VanDerWaalsContact C-N 3.29Å; L799-R801 PolarHBondContact O-N 2.96Å; L799-E802 PolarHBondContact O-N 3.48Å; L799-L803 PolarHBondContact O-N 2.83Å; L799-L832 HydrophobicContact CB-CD1 3.88Å; L799-L832 HydrophobicContact CB-CD2 4.45Å |
| 800 | S | 78.4 | Confident | 77.4 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | 179 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | I788 N798 | I788-S800 VanDerWaalsContact O-CB 3.25Å; I788-S800 WeakPolarHBondContact O-CB 3.29Å; I788-S800 PolarHBondContact O-N 2.85Å; I788-S800 PolarHBondContact O-OG 3.39Å; N798-S800 VanDerWaalsContact C-N 3.28Å; N798-S800 PolarHBondContact O-N 3.28Å; N798-S800 PolarHBondContact OD1-N 3.34Å; N798-S800 PolarHBondContact OD1-OG 2.77Å |
| 801 | R | 80.6 | Confident | 78 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 50% | 0.498 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -76.9 | -36.7 | 174.6 | -69.3 | -177.3 | -175.1 | 172.3 | 4.7 | 113 | D792 N798 L799 | D792-R801 IonicContact OD1-NH1 3.8Å; N798-R801 HydrophobicContact CB-CB 4.2Å; N798-R801 HydrophobicContact CB-CG 4.21Å; N798-R801 PolarHBondContact O-N 3.15Å; N798-R801 PolarHBondContact OD1-N 3.18Å; N798-R801 VanDerWaalsContact OD1-N 3.14Å; L799-R801 VanDerWaalsContact C-N 3.29Å; L799-R801 PolarHBondContact O-N 2.96Å |
| 802 | E | 80.8 | Confident | 79.1 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.4 | -35.4 | 179.6 | -66.6 | -76.8 | 166.3 | 0 | 0 | 112.1 | R719 L797 N798 L799 P804 | R719-E802 IonicContact CZ-OE1 2.97Å; R719-E802 IonicContact NH1-OE1 2.82Å; R719-E802 IonicContact NH2-OE1 2.86Å; R719-E802 PolarHBondContact NH2-OE1 3.01Å; R719-E802 IonicContact NH2-OE2 3.77Å; R719-E802 PolarHBondContact NH2-OE2 2.76Å; L797-E802 HydrophobicContact CD1-CG 3.68Å; L797-E802 WeakPolarHBondContact CD1-OE1 3.16Å; L797-E802 HydrophobicContact CD2-CG 4.37Å; L797-E802 HydrophobicContact CG-CG 3.96Å; N798-E802 WeakPolarHBondContact O-CG 3.44Å; N798-E802 PolarHBondContact O-N 2.86Å; N798-E802 VanDerWaalsContact O-N 3.12Å; L799-E802 PolarHBondContact O-N 3.48Å; E802-P804 VanDerWaalsContact C-CD 3.41Å; E802-P804 WeakPolarHBondContact O-CD 3.42Å |
| 803 | L | 85.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -121.6 | 71.7 | -179.8 | -66.7 | 172.5 | 0 | 0 | 0 | 111.4 | T725 L773 F776 L799 L808 L828 L832 H833 | T725-L803 HydrophobicContact CG2-CD2 3.84Å; L773-L803 HydrophobicContact CD2-CD1 4.42Å; F776-L803 HydrophobicContact CD2-CD1 4.27Å; L799-L803 PolarHBondContact O-N 2.83Å; L803-L808 HydrophobicContact CB-CD2 4.37Å; L803-L828 HydrophobicContact CD1-CD2 3.72Å; L803-L832 HydrophobicContact CB-CD2 4.15Å; L803-H833 PolarHBondContact O-CE1 3.3Å; L803-H833 PolarHBondContact O-NE2 3.01Å |
| 804 | P | 82.7 | Confident | 80.9 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | trans | -63.5 | 158 | 175.4 | 25.4 | -35.1 | 0 | 0 | 0 | 112.7 | E802 D806 I807 L808 | E802-P804 VanDerWaalsContact C-CD 3.41Å; E802-P804 WeakPolarHBondContact O-CD 3.42Å; P804-D806 PolarHBondContact O-N 3.24Å; P804-D806 VanDerWaalsContact O-N 3.13Å; P804-I807 HydrophobicContact CG-CD1 3.8Å; P804-I807 HydrophobicContact CG-CG1 3.97Å; P804-I807 PolarHBondContact O-N 2.86Å; P804-L808 PolarHBondContact O-N 3.09Å | ||
| 805 | I | 80.7 | Confident | 81.5 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -46.6 | -43.8 | 179.8 | -71.2 | 172.8 | 0 | 0 | 0 | 112.8 | I807 L808 L809 M829 H833 K882 F883 | I805-I807 PolarHBondContact O-N 3.13Å; I805-L808 PolarHBondContact O-N 3.48Å; I805-L809 WeakPolarHBondContact O-CB 3.34Å; I805-L809 PolarHBondContact O-N 3.46Å; I805-M829 HydrophobicContact CB-CE 4.27Å; I805-M829 HydrophobicContact CG1-CE 4.21Å; I805-M829 HydrophobicContact CG1-SD 4.41Å; I805-M829 HydrophobicContact CG2-CE 3.64Å; I805-H833 HydrophobicContact CD1-CB 4.17Å; I805-H833 HydrophobicContact CG1-CB 3.86Å; I805-K882 HydrophobicContact CD1-CD 3.69Å; I805-K882 VanDerWaalsContact CD1-CE 3.4Å; I805-K882 HydrophobicContact CD1-CG 3.72Å; I805-F883 HydrophobicContact CD1-CD1 4.05Å; I805-F883 HydrophobicContact CD1-CE1 3.48Å; I805-F883 VanDerWaalsContact CD1-CE1 3.48Å; I805-F883 HydrophobicContact CD1-CZ 3.82Å; I805-F883 HydrophobicContact CG1-CE1 4.25Å |
| 806 | D | 81.6 | Confident | 82.1 | Confident | 128 Ų | 128 | 46.2 Ų | 46.2 | 68% | 0.684 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61 | -32 | -177.4 | -60.8 | -32.6 | 0 | 0 | 0 | 113 | P804 R810 | P804-D806 PolarHBondContact O-N 3.24Å; P804-D806 VanDerWaalsContact O-N 3.13Å; D806-R810 WeakPolarHBondContact O-CB 3.43Å; D806-R810 PolarHBondContact O-N 2.84Å |
| 807 | I | 84.4 | Confident | 82.4 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.9 | -48.1 | 178.3 | -62.3 | -178.5 | 0 | 0 | 0 | 109.9 | T725 C727 V737 P804 I805 R810 C811 | T725-I807 HydrophobicContact CG2-CG2 4.27Å; C727-I807 HydrophobicContact CB-CD1 3.69Å; C727-I807 HydrophobicContact CB-CG1 3.86Å; V737-I807 HydrophobicContact CG1-CG2 4.36Å; V737-I807 HydrophobicContact CG2-CG2 4.32Å; P804-I807 HydrophobicContact CG-CD1 3.8Å; P804-I807 HydrophobicContact CG-CG1 3.97Å; P804-I807 PolarHBondContact O-N 2.86Å; I805-I807 PolarHBondContact O-N 3.13Å; I807-R810 PolarHBondContact O-N 3.21Å; I807-C811 PolarHBondContact O-N 3.37Å; I807-C811 VanDerWaalsContact O-N 3.08Å; I807-C811 PolarHBondContact O-SG 2.88Å |
| 808 | L | 84.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | -177.8 | -64.5 | 175.9 | 0 | 0 | 0 | 111.8 | L803 P804 I805 R810 C811 M812 F825 L828 M829 L832 H833 | L803-L808 HydrophobicContact CB-CD2 4.37Å; P804-L808 PolarHBondContact O-N 3.09Å; I805-L808 PolarHBondContact O-N 3.48Å; L808-R810 VanDerWaalsContact C-N 3.26Å; L808-R810 PolarHBondContact O-N 2.74Å; L808-C811 PolarHBondContact O-N 3.46Å; L808-M812 WeakPolarHBondContact O-CG 2.98Å; L808-M812 PolarHBondContact O-N 2.88Å; L808-F825 HydrophobicContact CD2-CD1 3.69Å; L808-F825 HydrophobicContact CD2-CE1 4.23Å; L808-L828 HydrophobicContact CD2-CD2 3.96Å; L808-L828 HydrophobicContact CD2-CG 4.43Å; L808-M829 HydrophobicContact CB-SD 4.07Å; L808-M829 HydrophobicContact CD1-CB 4.34Å; L808-M829 HydrophobicContact CD1-SD 3.93Å; L808-L832 HydrophobicContact CD1-CD2 4.34Å; L808-H833 VanDerWaalsContact CD1-CD2 3.42Å; L808-H833 WeakPolarHBondContact CD1-CD2 3.3Å |
| 809 | L | 84.3 | Confident | 82.7 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -42.1 | 178.1 | -178.9 | 62.1 | 0 | 0 | 0 | 110.9 | I805 M812 T813 L886 Y889 | I805-L809 WeakPolarHBondContact O-CB 3.34Å; I805-L809 PolarHBondContact O-N 3.46Å; L809-M812 WeakPolarHBondContact O-CB 3.29Å; L809-M812 PolarHBondContact O-N 3.11Å; L809-T813 HydrophobicContact CD1-CG2 4.36Å; L809-T813 VanDerWaalsContact O-CG2 3.3Å; L809-T813 WeakPolarHBondContact O-CG2 3.48Å; L809-T813 PolarHBondContact O-N 3.2Å; L809-T813 PolarHBondContact O-OG1 2.83Å; L809-L886 HydrophobicContact CD1-CB 4.17Å; L809-L886 HydrophobicContact CD1-CD1 3.96Å; L809-Y889 HydrophobicContact CD1-CD1 4.45Å |
| 810 | R | 82.2 | Confident | 82.6 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 179.5 | -161.1 | 175.3 | -155.5 | 119.2 | 4.9 | 112.4 | T733 F735 D806 I807 L808 M812 T813 D814 | T733-R810 PolarHBondContact O-NH2 2.97Å; F735-R810 VanDerWaalsContact N-NH2 3.15Å; F735-R810 PolarHBondContact O-NE 2.88Å; F735-R810 VanDerWaalsContact O-NE 3.09Å; D806-R810 WeakPolarHBondContact O-CB 3.43Å; D806-R810 PolarHBondContact O-N 2.84Å; I807-R810 PolarHBondContact O-N 3.21Å; L808-R810 VanDerWaalsContact C-N 3.26Å; L808-R810 PolarHBondContact O-N 2.74Å; R810-M812 VanDerWaalsContact C-N 3.29Å; R810-M812 PolarHBondContact O-N 3.41Å; R810-T813 WeakPolarHBondContact CA-OG1 3.43Å; R810-T813 PolarHBondContact O-N 2.93Å; R810-T813 PolarHBondContact O-OG1 2.8Å; R810-D814 PolarHBondContact O-N 3.35Å; R810-D814 VanDerWaalsContact O-N 3.11Å |
| 811 | C | 85.7 | Confident | 83 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.4 | -27.6 | 175.6 | -68.8 | 0 | 0 | 0 | 0 | 113 | I807 L808 L817 F825 | I807-C811 PolarHBondContact O-N 3.37Å; I807-C811 VanDerWaalsContact O-N 3.08Å; I807-C811 PolarHBondContact O-SG 2.88Å; L808-C811 PolarHBondContact O-N 3.46Å; C811-L817 HydrophobicContact CB-CD1 4.25Å; C811-F825 HydrophobicContact CB-CD1 4.01Å; C811-F825 HydrophobicContact CB-CD2 3.5Å; C811-F825 HydrophobicContact CB-CE1 3.96Å; C811-F825 HydrophobicContact CB-CE2 3.44Å; C811-F825 VanDerWaalsContact CB-CE2 3.44Å; C811-F825 HydrophobicContact CB-CG 3.78Å; C811-F825 HydrophobicContact CB-CZ 3.66Å |
| 812 | M | 86.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.7 | -37.4 | 172.3 | -69.6 | 168.2 | 58.8 | 0 | 0 | 112.4 | L808 L809 R810 R822 F825 A826 M829 L886 Y889 I914 L917 | L808-M812 WeakPolarHBondContact O-CG 2.98Å; L808-M812 PolarHBondContact O-N 2.88Å; L809-M812 WeakPolarHBondContact O-CB 3.29Å; L809-M812 PolarHBondContact O-N 3.11Å; R810-M812 VanDerWaalsContact C-N 3.29Å; R810-M812 PolarHBondContact O-N 3.41Å; M812-R822 PolarHBondContact O-NE 3.34Å; M812-R822 PolarHBondContact O-NH2 3.06Å; M812-F825 HydrophobicContact CG-CB 3.8Å; M812-A826 HydrophobicContact CE-CB 3.86Å; M812-A826 HydrophobicContact CG-CB 4.42Å; M812-A826 HydrophobicContact SD-CB 4.27Å; M812-M829 HydrophobicContact SD-CB 3.88Å; M812-M829 HydrophobicContact SD-CG 4.06Å; M812-L886 HydrophobicContact CE-CD1 3.98Å; M812-Y889 HydrophobicContact CB-CE1 4.29Å; M812-Y889 HydrophobicContact CE-CD1 4.48Å; M812-Y889 HydrophobicContact CE-CE1 4.35Å; M812-Y889 PolarHBondContact O-OH 3.22Å; M812-I914 HydrophobicContact CE-CD1 3.88Å; M812-L917 HydrophobicContact CE-CD1 3.63Å |
| 813 | T | 81.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79.5 | -19.6 | -178 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | L809 R810 E815 Y889 | L809-T813 HydrophobicContact CD1-CG2 4.36Å; L809-T813 VanDerWaalsContact O-CG2 3.3Å; L809-T813 WeakPolarHBondContact O-CG2 3.48Å; L809-T813 PolarHBondContact O-N 3.2Å; L809-T813 PolarHBondContact O-OG1 2.83Å; R810-T813 WeakPolarHBondContact CA-OG1 3.43Å; R810-T813 PolarHBondContact O-N 2.93Å; R810-T813 PolarHBondContact O-OG1 2.8Å; T813-E815 PolarHBondContact O-N 3.49Å; T813-E815 VanDerWaalsContact O-N 3.17Å; T813-Y889 HydrophobicContact CG2-CD1 4.18Å; T813-Y889 HydrophobicContact CG2-CD2 3.56Å; T813-Y889 HydrophobicContact CG2-CE1 4.36Å; T813-Y889 HydrophobicContact CG2-CE2 3.77Å; T813-Y889 HydrophobicContact CG2-CG 3.78Å |
| 814 | D | 83.5 | Confident | 83.6 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -75.7 | 106.2 | -175 | -164.9 | -12.6 | 0 | 0 | 0 | 111.9 | R810 R816 L817 | R810-D814 PolarHBondContact O-N 3.35Å; R810-D814 VanDerWaalsContact O-N 3.11Å; D814-R816 PolarHBondContact O-N 2.76Å; D814-R816 VanDerWaalsContact OD1-CB 3.29Å; D814-R816 WeakPolarHBondContact OD1-CB 3.3Å; D814-R816 IonicContact OD1-CZ 3.44Å; D814-R816 PolarHBondContact OD1-N 3.26Å; D814-R816 IonicContact OD1-NE 3.95Å; D814-R816 PolarHBondContact OD1-NE 2.86Å; D814-R816 IonicContact OD1-NH2 2.79Å; D814-R816 PolarHBondContact OD1-NH2 3.11Å; D814-R816 IonicContact OD2-CZ 2.72Å; D814-R816 IonicContact OD2-NE 2.74Å; D814-R816 IonicContact OD2-NH2 2.74Å; D814-R816 PolarHBondContact OD2-NH2 2.94Å; D814-L817 HydrophobicContact CB-CD1 4.08Å; D814-L817 HydrophobicContact CB-CG 4.11Å; D814-L817 PolarHBondContact O-N 3.2Å; D814-L817 VanDerWaalsContact O-N 3.14Å | ||
| 815 | E | 79.5 | Confident | 84 | Confident | 154 Ų | 154 | 39.2 Ų | 39.2 | 72% | 0.72 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17 | 178.5 | -61.1 | -170.6 | 156.1 | 0 | 0 | 113.9 | T813 L817 | T813-E815 PolarHBondContact O-N 3.49Å; T813-E815 VanDerWaalsContact O-N 3.17Å; E815-L817 PolarHBondContact O-N 3.16Å |
| 816 | R | 81.6 | Confident | 84.4 | Confident | 133 Ų | 133 | 38.7 Ų | 38.7 | 50% | 0.502 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.3 | 175.9 | -60.5 | 168.6 | -70.4 | 165.7 | 6.3 | 112.2 | E750 D814 | E750-R816 VanDerWaalsContact CD-NH1 3.34Å; E750-R816 IonicContact OE1-CZ 3.86Å; E750-R816 IonicContact OE1-NH1 2.7Å; E750-R816 IonicContact OE1-NH2 3.57Å; E750-R816 PolarHBondContact OE1-NH2 3.48Å; E750-R816 IonicContact OE2-CZ 3.52Å; E750-R816 IonicContact OE2-NH1 3.99Å; E750-R816 PolarHBondContact OE2-NH1 3.4Å; E750-R816 IonicContact OE2-NH2 3.27Å; E750-R816 PolarHBondContact OE2-NH2 3.36Å; E750-R816 VanDerWaalsContact OE2-NH2 3.16Å; D814-R816 PolarHBondContact O-N 2.76Å; D814-R816 VanDerWaalsContact OD1-CB 3.29Å; D814-R816 WeakPolarHBondContact OD1-CB 3.3Å; D814-R816 IonicContact OD1-CZ 3.44Å; D814-R816 PolarHBondContact OD1-N 3.26Å; D814-R816 IonicContact OD1-NE 3.95Å; D814-R816 PolarHBondContact OD1-NE 2.86Å; D814-R816 IonicContact OD1-NH2 2.79Å; D814-R816 PolarHBondContact OD1-NH2 3.11Å; D814-R816 IonicContact OD2-CZ 2.72Å; D814-R816 IonicContact OD2-NE 2.74Å; D814-R816 IonicContact OD2-NH2 2.74Å; D814-R816 PolarHBondContact OD2-NH2 2.94Å |
| 817 | L | 84.5 | Confident | 84.6 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -91.4 | 143.1 | 175.5 | -61.1 | 179.3 | 0 | 0 | 0 | 111 | L749 A753 C811 D814 E815 L821 R822 | L749-L817 HydrophobicContact CD2-CD1 4.17Å; L749-L817 HydrophobicContact CD2-CD2 4.38Å; L749-L817 HydrophobicContact CG-CD2 4.07Å; A753-L817 HydrophobicContact CB-CD2 3.68Å; C811-L817 HydrophobicContact CB-CD1 4.25Å; D814-L817 HydrophobicContact CB-CD1 4.08Å; D814-L817 HydrophobicContact CB-CG 4.11Å; D814-L817 PolarHBondContact O-N 3.2Å; D814-L817 VanDerWaalsContact O-N 3.14Å; E815-L817 PolarHBondContact O-N 3.16Å; L817-L821 HydrophobicContact CD1-CD2 4.49Å; L817-L821 HydrophobicContact CD2-CD2 4.26Å; L817-R822 HydrophobicContact CB-CG 4.12Å; L817-R822 WeakPolarHBondContact O-CD 3.47Å |
| 818 | P | 82.9 | Confident | 84.9 | Confident | 47 Ų | 47 | 34 Ų | 34 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | trans | -65 | 147.9 | 179.3 | 25.6 | -33.5 | 0 | 0 | 0 | 112.2 | L766 N820 L821 R822 | L766-P818 HydrophobicContact CD2-CG 4.33Å; P818-N820 VanDerWaalsContact C-N 3.25Å; P818-N820 PolarHBondContact O-N 3.43Å; P818-L821 HydrophobicContact CG-CB 3.97Å; P818-L821 PolarHBondContact O-N 2.89Å; P818-R822 PolarHBondContact O-N 3.35Å; P818-R822 VanDerWaalsContact O-N 3.14Å | ||
| 819 | F | 81.5 | Confident | 85.1 | Confident | 66 Ų | 66 | 34 Ų | 34 | 29% | 0.289 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -54.9 | -37.8 | -177.7 | -70.3 | -70.1 | 0 | 0 | 0 | 113.2 | L821 R822 A823 E906 Q907 F910 | F819-L821 VanDerWaalsContact C-N 3.33Å; F819-L821 PolarHBondContact O-N 2.91Å; F819-R822 PolarHBondContact O-N 2.8Å; F819-A823 WeakPolarHBondContact O-CB 3.44Å; F819-A823 PolarHBondContact O-N 2.87Å; F819-E906 HydrophobicContact CB-CB 3.85Å; F819-Q907 HydrophobicContact CE1-CG 4.3Å; F819-Q907 HydrophobicContact CZ-CG 4.42Å; F819-F910 HydrophobicContact CB-CB 4.42Å; F819-F910 HydrophobicContact CD1-CB 4.39Å; F819-F910 AromaticContact CD1-CD1 3.98Å; F819-F910 HydrophobicContact CD1-CD1 3.98Å; F819-F910 HydrophobicContact CD1-CG 4.41Å; F819-F910 HydrophobicContact CE1-CD1 4.5Å |
| 820 | N | 82 | Confident | 85.1 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.6 | -71.2 | -29 | 0 | 0 | 0 | 113.1 | P818 S824 E906 | P818-N820 VanDerWaalsContact C-N 3.25Å; P818-N820 PolarHBondContact O-N 3.43Å; N820-S824 PolarHBondContact O-N 2.62Å; N820-S824 VanDerWaalsContact O-N 3.17Å; N820-S824 PolarHBondContact O-OG 3.24Å; N820-E906 PolarHBondContact ND2-OE1 2.87Å; N820-E906 WeakPolarHBondContact OD1-CB 3.4Å; N820-E906 WeakPolarHBondContact OD1-CG 3.35Å |
| 821 | L | 86.1 | Confident | 85.1 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.6 | -41 | -179.9 | -171.7 | 66.1 | 0 | 0 | 0 | 110.2 | L749 L766 Y769 K770 L773 L817 P818 F819 A823 S824 F825 | L749-L821 HydrophobicContact CD1-CD2 4.33Å; L766-L821 HydrophobicContact CD1-CD2 4.49Å; Y769-L821 HydrophobicContact CD1-CD1 4.45Å; K770-L821 HydrophobicContact CB-CD1 4.07Å; K770-L821 HydrophobicContact CG-CD1 4.49Å; L773-L821 HydrophobicContact CD1-CD1 3.92Å; L817-L821 HydrophobicContact CD1-CD2 4.49Å; L817-L821 HydrophobicContact CD2-CD2 4.26Å; P818-L821 HydrophobicContact CG-CB 3.97Å; P818-L821 PolarHBondContact O-N 2.89Å; F819-L821 VanDerWaalsContact C-N 3.33Å; F819-L821 PolarHBondContact O-N 2.91Å; L821-A823 VanDerWaalsContact C-N 3.31Å; L821-A823 PolarHBondContact O-N 2.74Å; L821-S824 WeakPolarHBondContact O-CB 3.18Å; L821-S824 PolarHBondContact O-N 3.35Å; L821-S824 VanDerWaalsContact O-N 3.15Å; L821-F825 HydrophobicContact CD1-CE2 4.15Å; L821-F825 HydrophobicContact CD2-CE2 4.11Å; L821-F825 HydrophobicContact CG-CD2 4.1Å; L821-F825 HydrophobicContact CG-CE2 3.7Å; L821-F825 WeakPolarHBondContact O-CD2 3.45Å; L821-F825 PolarHBondContact O-N 3.36Å |
| 822 | R | 89 | Confident | 85 | Confident | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 174.2 | -64.6 | 171.6 | 65.3 | 179.7 | 5.5 | 112.1 | M812 L817 P818 F819 F825 A826 Y889 F910 | M812-R822 PolarHBondContact O-NE 3.34Å; M812-R822 PolarHBondContact O-NH2 3.06Å; L817-R822 HydrophobicContact CB-CG 4.12Å; L817-R822 WeakPolarHBondContact O-CD 3.47Å; P818-R822 PolarHBondContact O-N 3.35Å; P818-R822 VanDerWaalsContact O-N 3.14Å; F819-R822 PolarHBondContact O-N 2.8Å; R822-F825 PolarHBondContact O-N 3.47Å; R822-A826 WeakPolarHBondContact O-CB 3.39Å; R822-A826 PolarHBondContact O-N 3.34Å; R822-Y889 PolarHBondContact NH2-OH 2.79Å; R822-F910 HydrophobicContact CB-CD2 3.83Å; R822-F910 HydrophobicContact CB-CE2 3.6Å; R822-F910 HydrophobicContact CB-CG 4.48Å; R822-F910 HydrophobicContact CB-CZ 4.07Å |
| 823 | A | 84.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F819 L821 F825 A826 R827 V909 F910 E913 | F819-A823 WeakPolarHBondContact O-CB 3.44Å; F819-A823 PolarHBondContact O-N 2.87Å; L821-A823 VanDerWaalsContact C-N 3.31Å; L821-A823 PolarHBondContact O-N 2.74Å; A823-F825 VanDerWaalsContact C-N 3.33Å; A823-F825 PolarHBondContact O-N 3.32Å; A823-A826 PolarHBondContact O-N 3.06Å; A823-R827 WeakPolarHBondContact O-CB 3.45Å; A823-R827 PolarHBondContact O-N 3.34Å; A823-V909 HydrophobicContact CB-CG1 4.13Å; A823-F910 HydrophobicContact CB-CB 4.17Å; A823-F910 HydrophobicContact CB-CD2 4.11Å; A823-E913 HydrophobicContact CB-CG 4.25Å |
| 824 | S | 85.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 176 | -49.4 | 0 | 0 | 0 | 0 | 111 | D774 N820 L821 L828 | D774-S824 PolarHBondContact OD1-OG 2.89Å; N820-S824 PolarHBondContact O-N 2.62Å; N820-S824 VanDerWaalsContact O-N 3.17Å; N820-S824 PolarHBondContact O-OG 3.24Å; L821-S824 WeakPolarHBondContact O-CB 3.18Å; L821-S824 PolarHBondContact O-N 3.35Å; L821-S824 VanDerWaalsContact O-N 3.15Å; S824-L828 WeakPolarHBondContact O-CB 3.46Å; S824-L828 PolarHBondContact O-N 3.1Å |
| 825 | F | 91.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 173.5 | -75 | -63.3 | 0 | 0 | 0 | 113.3 | L749 Y769 L773 L808 C811 M812 L821 R822 A823 L828 M829 | L749-F825 HydrophobicContact CD2-CE2 4.33Å; L749-F825 HydrophobicContact CD2-CZ 4.18Å; Y769-F825 AromaticContact CE1-CZ 3.88Å; Y769-F825 HydrophobicContact CE1-CZ 3.88Å; L773-F825 HydrophobicContact CD1-CD1 3.97Å; L773-F825 HydrophobicContact CD1-CD2 4.37Å; L773-F825 HydrophobicContact CD1-CE1 3.59Å; L773-F825 HydrophobicContact CD1-CE2 4.02Å; L773-F825 HydrophobicContact CD1-CG 4.36Å; L773-F825 HydrophobicContact CD1-CZ 3.63Å; L773-F825 HydrophobicContact CD2-CD1 4.41Å; L773-F825 HydrophobicContact CD2-CE1 3.99Å; L773-F825 HydrophobicContact CG-CE1 4.47Å; L808-F825 HydrophobicContact CD2-CD1 3.69Å; L808-F825 HydrophobicContact CD2-CE1 4.23Å; C811-F825 HydrophobicContact CB-CD1 4.01Å; C811-F825 HydrophobicContact CB-CD2 3.5Å; C811-F825 HydrophobicContact CB-CE1 3.96Å; C811-F825 HydrophobicContact CB-CE2 3.44Å; C811-F825 VanDerWaalsContact CB-CE2 3.44Å; C811-F825 HydrophobicContact CB-CG 3.78Å; C811-F825 HydrophobicContact CB-CZ 3.66Å; M812-F825 HydrophobicContact CG-CB 3.8Å; L821-F825 HydrophobicContact CD1-CE2 4.15Å; L821-F825 HydrophobicContact CD2-CE2 4.11Å; L821-F825 HydrophobicContact CG-CD2 4.1Å; L821-F825 HydrophobicContact CG-CE2 3.7Å; L821-F825 WeakPolarHBondContact O-CD2 3.45Å; L821-F825 PolarHBondContact O-N 3.36Å; R822-F825 PolarHBondContact O-N 3.47Å; A823-F825 VanDerWaalsContact C-N 3.33Å; A823-F825 PolarHBondContact O-N 3.32Å; F825-L828 PolarHBondContact O-N 3.19Å; F825-M829 VanDerWaalsContact O-CB 3.31Å; F825-M829 WeakPolarHBondContact O-CB 3.31Å; F825-M829 PolarHBondContact O-N 3.27Å |
| 826 | A | 87.6 | Confident | 83 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M812 R822 A823 M829 L830 F910 E913 I914 L917 | M812-A826 HydrophobicContact CE-CB 3.86Å; M812-A826 HydrophobicContact CG-CB 4.42Å; M812-A826 HydrophobicContact SD-CB 4.27Å; R822-A826 WeakPolarHBondContact O-CB 3.39Å; R822-A826 PolarHBondContact O-N 3.34Å; A823-A826 PolarHBondContact O-N 3.06Å; A826-M829 WeakPolarHBondContact O-CB 3.43Å; A826-M829 PolarHBondContact O-N 3.47Å; A826-L830 PolarHBondContact O-N 3.32Å; A826-F910 HydrophobicContact CB-CE2 4.18Å; A826-E913 HydrophobicContact CB-CB 3.95Å; A826-I914 HydrophobicContact CB-CD1 4.43Å; A826-L917 HydrophobicContact CB-CD1 3.76Å |
| 827 | R | 87.9 | Confident | 81.7 | Confident | 44 Ų | 44 | 18.7 Ų | 18.7 | 17% | 0.166 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.9 | -159.6 | -169.7 | -65 | 125.7 | 7.2 | 111.9 | D774 S777 A823 L830 H831 E913 | D774-R827 IonicContact OD1-NH1 3.61Å; D774-R827 PolarHBondContact OD1-NH1 3.19Å; S777-R827 VanDerWaalsContact OG-CD 3.3Å; S777-R827 WeakPolarHBondContact OG-CD 3.39Å; S777-R827 WeakPolarHBondContact OG-CG 3.25Å; S777-R827 PolarHBondContact OG-O 3.33Å; A823-R827 WeakPolarHBondContact O-CB 3.45Å; A823-R827 PolarHBondContact O-N 3.34Å; R827-L830 WeakPolarHBondContact O-CB 3.27Å; R827-L830 PolarHBondContact O-N 2.94Å; R827-H831 PolarHBondContact O-CD2 3.17Å; R827-H831 PolarHBondContact O-N 3.31Å; R827-E913 HydrophobicContact CB-CG 4.48Å; R827-E913 IonicContact CZ-OE1 2.77Å; R827-E913 VanDerWaalsContact CZ-OE1 3.24Å; R827-E913 IonicContact NE-OE1 2.67Å; R827-E913 PolarHBondContact NE-OE1 2.97Å; R827-E913 IonicContact NE-OE2 3.89Å; R827-E913 IonicContact NH2-OE1 3.26Å; R827-E913 PolarHBondContact NH2-OE1 3.37Å |
| 828 | L | 88.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 174.9 | -174.4 | 61.7 | 0 | 0 | 0 | 111.8 | L773 F776 L803 L808 S824 F825 L830 H831 L832 | L773-L828 HydrophobicContact CD2-CD2 3.8Å; F776-L828 HydrophobicContact CB-CD1 3.89Å; L803-L828 HydrophobicContact CD1-CD2 3.72Å; L808-L828 HydrophobicContact CD2-CD2 3.96Å; L808-L828 HydrophobicContact CD2-CG 4.43Å; S824-L828 WeakPolarHBondContact O-CB 3.46Å; S824-L828 PolarHBondContact O-N 3.1Å; F825-L828 PolarHBondContact O-N 3.19Å; L828-L830 VanDerWaalsContact C-N 3.27Å; L828-L830 PolarHBondContact O-N 3.43Å; L828-H831 PolarHBondContact O-N 2.91Å; L828-L832 HydrophobicContact CD1-CB 4.11Å; L828-L832 HydrophobicContact CD1-CD2 4.28Å; L828-L832 HydrophobicContact CG-CB 4.36Å; L828-L832 HydrophobicContact CG-CD2 4.27Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 PolarHBondContact O-N 3.41Å |
| 829 | M | 89 | Confident | 79.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 175.4 | -177.6 | 59.9 | 157.3 | 0 | 0 | 111.7 | I805 L808 M812 F825 A826 H833 V834 F883 L886 L917 | I805-M829 HydrophobicContact CB-CE 4.27Å; I805-M829 HydrophobicContact CG1-CE 4.21Å; I805-M829 HydrophobicContact CG1-SD 4.41Å; I805-M829 HydrophobicContact CG2-CE 3.64Å; L808-M829 HydrophobicContact CB-SD 4.07Å; L808-M829 HydrophobicContact CD1-CB 4.34Å; L808-M829 HydrophobicContact CD1-SD 3.93Å; M812-M829 HydrophobicContact SD-CB 3.88Å; M812-M829 HydrophobicContact SD-CG 4.06Å; F825-M829 VanDerWaalsContact O-CB 3.31Å; F825-M829 WeakPolarHBondContact O-CB 3.31Å; F825-M829 PolarHBondContact O-N 3.27Å; A826-M829 WeakPolarHBondContact O-CB 3.43Å; A826-M829 PolarHBondContact O-N 3.47Å; M829-H833 PolarHBondContact O-N 3.14Å; M829-H833 HydrophobicContact SD-CB 4.21Å; M829-V834 HydrophobicContact CG-CG2 4.3Å; M829-V834 WeakPolarHBondContact O-CG2 3.33Å; M829-V834 PolarHBondContact O-N 3.04Å; M829-V834 VanDerWaalsContact O-N 3.1Å; M829-F883 HydrophobicContact CE-CD1 4.42Å; M829-L886 HydrophobicContact CE-CB 4.29Å; M829-L886 HydrophobicContact CE-CD1 4.19Å; M829-L886 HydrophobicContact CE-CD2 3.89Å; M829-L886 HydrophobicContact CE-CG 4.34Å; M829-L886 HydrophobicContact CG-CD1 4.4Å; M829-L886 HydrophobicContact CG-CD2 4.41Å; M829-L917 HydrophobicContact CG-CD2 4.3Å |
| 830 | L | 85.1 | Confident | 78.3 | Confident | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -59.7 | -55.3 | 175.8 | 177.8 | 62.8 | 0 | 0 | 0 | 111.8 | A826 R827 L828 V834 I835 N916 L917 A920 | A826-L830 PolarHBondContact O-N 3.32Å; R827-L830 WeakPolarHBondContact O-CB 3.27Å; R827-L830 PolarHBondContact O-N 2.94Å; L828-L830 VanDerWaalsContact C-N 3.27Å; L828-L830 PolarHBondContact O-N 3.43Å; L830-V834 HydrophobicContact CD1-CB 4.46Å; L830-V834 HydrophobicContact CD1-CG1 4.42Å; L830-V834 PolarHBondContact O-N 3.15Å; L830-I835 HydrophobicContact CD1-CD1 3.73Å; L830-I835 HydrophobicContact CD1-CG1 3.8Å; L830-I835 HydrophobicContact CD2-CD1 4.39Å; L830-I835 HydrophobicContact CG-CD1 3.66Å; L830-I835 HydrophobicContact CG-CG1 4.19Å; L830-I835 WeakPolarHBondContact O-CB 3.29Å; L830-I835 VanDerWaalsContact O-CG1 3.27Å; L830-I835 WeakPolarHBondContact O-CG1 3.46Å; L830-I835 PolarHBondContact O-N 3.39Å; L830-N916 HydrophobicContact CD2-CB 4.04Å; L830-L917 HydrophobicContact CB-CD2 3.77Å; L830-L917 HydrophobicContact CB-CG 4.21Å; L830-L917 HydrophobicContact CD1-CD2 4.17Å; L830-A920 HydrophobicContact CD1-CB 3.37Å |
| 831 | H | 83.1 | Confident | 77.3 | Confident | 23 Ų | 23 | 20.1 Ų | 20.1 | 11% | 0.106 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -81.1 | -27.7 | -172.7 | -62.8 | -59.9 | 0 | 0 | 0 | 114.5 | S777 C780 L781 R827 L828 T836 | S777-H831 PolarHBondContact OG-CD2 3.49Å; C780-H831 HydrophobicContact CB-CB 3.89Å; L781-H831 WeakPolarHBondContact CD1-CE1 3.24Å; R827-H831 PolarHBondContact O-CD2 3.17Å; R827-H831 PolarHBondContact O-N 3.31Å; L828-H831 PolarHBondContact O-N 2.91Å; H831-T836 VanDerWaalsContact O-CG2 3.31Å; H831-T836 WeakPolarHBondContact O-CG2 3.14Å |
| 832 | L | 83.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -88.7 | -34 | -175.9 | -176.5 | 62 | 0 | 0 | 0 | 113.8 | I788 L799 L803 L808 L828 T836 | I788-L832 HydrophobicContact CB-CD1 4.36Å; I788-L832 HydrophobicContact CG1-CD1 4.08Å; I788-L832 HydrophobicContact CG2-CD1 4.32Å; L799-L832 HydrophobicContact CB-CD1 3.88Å; L799-L832 HydrophobicContact CB-CD2 4.45Å; L803-L832 HydrophobicContact CB-CD2 4.15Å; L808-L832 HydrophobicContact CD1-CD2 4.34Å; L828-L832 HydrophobicContact CD1-CB 4.11Å; L828-L832 HydrophobicContact CD1-CD2 4.28Å; L828-L832 HydrophobicContact CG-CB 4.36Å; L828-L832 HydrophobicContact CG-CD2 4.27Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 PolarHBondContact O-N 3.41Å; L832-T836 PolarHBondContact O-OG1 2.86Å |
| 833 | H | 81.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 4% | 0.042 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -125.3 | -47.5 | -174.1 | -64.8 | -77 | 0 | 0 | 0 | 113.7 | L803 I805 L808 M829 T836 D837 F883 | L803-H833 PolarHBondContact O-CE1 3.3Å; L803-H833 PolarHBondContact O-NE2 3.01Å; I805-H833 HydrophobicContact CD1-CB 4.17Å; I805-H833 HydrophobicContact CG1-CB 3.86Å; L808-H833 VanDerWaalsContact CD1-CD2 3.42Å; L808-H833 WeakPolarHBondContact CD1-CD2 3.3Å; M829-H833 PolarHBondContact O-N 3.14Å; M829-H833 HydrophobicContact SD-CB 4.21Å; H833-T836 VanDerWaalsContact C-OG1 3.29Å; H833-T836 VanDerWaalsContact CA-OG1 3.25Å; H833-T836 WeakPolarHBondContact CA-OG1 3.2Å; H833-T836 PolarHBondContact O-OG1 3.39Å; H833-D837 PolarHBondContact O-N 3.12Å; H833-F883 HydrophobicContact CB-CE1 4.04Å; H833-F883 HydrophobicContact CB-CZ 4.27Å |
| 834 | V | 75 | Confident | 74.3 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -69 | -47.1 | -172.8 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | M829 L830 F883 L886 L917 A920 L921 F924 | M829-V834 HydrophobicContact CG-CG2 4.3Å; M829-V834 WeakPolarHBondContact O-CG2 3.33Å; M829-V834 PolarHBondContact O-N 3.04Å; M829-V834 VanDerWaalsContact O-N 3.1Å; L830-V834 HydrophobicContact CD1-CB 4.46Å; L830-V834 HydrophobicContact CD1-CG1 4.42Å; L830-V834 PolarHBondContact O-N 3.15Å; V834-F883 HydrophobicContact CG2-CD1 4.38Å; V834-F883 HydrophobicContact CG2-CE1 4.03Å; V834-L886 HydrophobicContact CG2-CD2 3.76Å; V834-L917 HydrophobicContact CG2-CD2 3.97Å; V834-A920 HydrophobicContact CG1-CB 3.99Å; V834-L921 HydrophobicContact CG1-CD2 4.05Å; V834-L921 HydrophobicContact CG1-CG 4.48Å; V834-F924 HydrophobicContact CG1-CD2 4.01Å; V834-F924 HydrophobicContact CG1-CE2 3.99Å; V834-F924 WeakPolarHBondContact O-CE2 3.43Å |
| 835 | I | 68.1 | Low | 73.6 | Confident | 35 Ų | 35 | 26 Ų | 26 | 18% | 0.179 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -27.4 | -177.9 | -68.9 | 173.2 | 0 | 0 | 0 | 112.4 | R783 L830 F924 | R783-I835 HydrophobicContact CG-CG2 3.58Å; R783-I835 VanDerWaalsContact CZ-O 3.26Å; R783-I835 VanDerWaalsContact NE-CG2 3.29Å; R783-I835 PolarHBondContact NE-O 3.18Å; R783-I835 PolarHBondContact NH2-O 3.49Å; L830-I835 HydrophobicContact CD1-CD1 3.73Å; L830-I835 HydrophobicContact CD1-CG1 3.8Å; L830-I835 HydrophobicContact CD2-CD1 4.39Å; L830-I835 HydrophobicContact CG-CD1 3.66Å; L830-I835 HydrophobicContact CG-CG1 4.19Å; L830-I835 WeakPolarHBondContact O-CB 3.29Å; L830-I835 VanDerWaalsContact O-CG1 3.27Å; L830-I835 WeakPolarHBondContact O-CG1 3.46Å; L830-I835 PolarHBondContact O-N 3.39Å; I835-F924 HydrophobicContact CB-CZ 4.47Å; I835-F924 HydrophobicContact CG1-CE2 4.26Å; I835-F924 HydrophobicContact CG1-CZ 4.35Å |
| 836 | T | 63.6 | Low | 72.9 | Confident | 22 Ų | 22 | 28.9 Ų | 28.9 | 14% | 0.135 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -36.9 | -169.6 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | I788 H831 L832 H833 L838 | I788-T836 HydrophobicContact CB-CG2 4.36Å; I788-T836 HydrophobicContact CD1-CG2 3.25Å; I788-T836 HydrophobicContact CG1-CG2 3.95Å; I788-T836 HydrophobicContact CG2-CG2 3.65Å; H831-T836 VanDerWaalsContact O-CG2 3.31Å; H831-T836 WeakPolarHBondContact O-CG2 3.14Å; L832-T836 PolarHBondContact O-OG1 2.86Å; H833-T836 VanDerWaalsContact C-OG1 3.29Å; H833-T836 VanDerWaalsContact CA-OG1 3.25Å; H833-T836 WeakPolarHBondContact CA-OG1 3.2Å; H833-T836 PolarHBondContact O-OG1 3.39Å; T836-L838 VanDerWaalsContact C-N 3.29Å; T836-L838 PolarHBondContact O-N 3.42Å |
| 837 | D | 55.3 | Low | 72.4 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 33% | 0.332 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -79.8 | -11.9 | -175.3 | -72.3 | -20.6 | 0 | 0 | 0 | 112.5 | H833 K882 F883 | H833-D837 PolarHBondContact O-N 3.12Å; D837-K882 IonicContact OD1-NZ 2.64Å; D837-K882 IonicContact OD2-NZ 2.85Å; D837-K882 PolarHBondContact OD2-NZ 2.97Å; D837-F883 HydrophobicContact CB-CE2 4.42Å; D837-F883 HydrophobicContact CB-CZ 4.44Å |
| 838 | L | 59.4 | Low | 72 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 7% | 0.073 | 14% | 0.135 | C | C | . | . | trans | -135.8 | 147 | -162.3 | -58.8 | 165.3 | 0 | 0 | 0 | 114.1 | R783 T836 E879 F883 F924 F926 | R783-L838 PolarHBondContact NH2-O 3.06Å; T836-L838 VanDerWaalsContact C-N 3.29Å; T836-L838 PolarHBondContact O-N 3.42Å; L838-E879 HydrophobicContact CD2-CB 4.31Å; L838-E879 VanDerWaalsContact CD2-CD 3.46Å; L838-E879 HydrophobicContact CD2-CG 4.2Å; L838-E879 WeakPolarHBondContact CD2-OE2 3.39Å; L838-F883 HydrophobicContact CD1-CE2 4.36Å; L838-F924 HydrophobicContact CB-CB 4.19Å; L838-F924 HydrophobicContact CB-CD1 3.43Å; L838-F924 VanDerWaalsContact CB-CD1 3.43Å; L838-F924 HydrophobicContact CB-CD2 4.25Å; L838-F924 HydrophobicContact CB-CE1 3.82Å; L838-F924 HydrophobicContact CB-CG 3.7Å; L838-F924 HydrophobicContact CB-CZ 4.4Å; L838-F924 HydrophobicContact CD1-CB 3.81Å; L838-F924 HydrophobicContact CD1-CD1 4.42Å; L838-F924 HydrophobicContact CD1-CD2 3.96Å; L838-F924 HydrophobicContact CD1-CG 3.81Å; L838-F924 HydrophobicContact CG-CG 4.42Å; L838-F924 VanDerWaalsContact O-CE1 3.29Å; L838-F924 WeakPolarHBondContact O-CE1 3.28Å; L838-F926 HydrophobicContact CD1-CD2 4.42Å; L838-F926 HydrophobicContact CD1-CE2 3.17Å; L838-F926 HydrophobicContact CD1-CZ 3.25Å; L838-F926 HydrophobicContact CD2-CZ 4.22Å; L838-F926 HydrophobicContact CG-CZ 4.35Å | ||
| 839 | Q | 60.6 | Low | 71.4 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | P | Polyproline II helix | trans | -100 | 134.7 | 172.7 | -126 | 168.7 | 24.7 | 0 | 0 | 110.9 | L841 E1146 | Q839-L841 PolarHBondContact O-N 3.09Å; Q839-E1146 PolarHBondContact NE2-OE1 3.42Å |
| 840 | E | 58.1 | Low | 70.9 | Confident | 115 Ų | 115 | 28.5 Ų | 28.5 | 54% | 0.537 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -56 | 133.9 | 178.5 | -70.8 | -167 | 153.7 | 0 | 0 | 110.5 | K923 F924 | E840-K923 WeakPolarHBondContact OE1-CD 3.21Å; E840-K923 IonicContact OE1-NZ 3.09Å; E840-K923 PolarHBondContact OE1-NZ 3.06Å; E840-K923 VanDerWaalsContact OE1-NZ 3.16Å; E840-F924 HydrophobicContact CG-CE1 3.92Å |
| 841 | L | 60.2 | Low | 70.3 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -90 | 129.9 | -175.2 | -142.4 | 168.1 | 0 | 0 | 0 | 108.9 | Q839 P843 N864 Y868 K923 | Q839-L841 PolarHBondContact O-N 3.09Å; L841-P843 WeakPolarHBondContact O-CD 3.29Å; L841-N864 HydrophobicContact CD1-CB 4.2Å; L841-N864 HydrophobicContact CD2-CB 4.28Å; L841-Y868 VanDerWaalsContact CD1-OH 3.27Å; L841-Y868 WeakPolarHBondContact CD1-OH 3.48Å; L841-Y868 WeakPolarHBondContact CD2-OH 3.29Å; L841-Y868 WeakPolarHBondContact CG-OH 3.37Å; L841-K923 WeakPolarHBondContact CB-O 3.47Å; L841-K923 PolarHBondContact N-O 2.73Å |
| 842 | L | 66.1 | Low | 69.9 | Low | 62 Ų | 62 | 36.2 Ų | 36.2 | 33% | 0.325 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 120.7 | 168.9 | -86.1 | 118.4 | 0 | 0 | 0 | 109.1 | V844 | L842-V844 VanDerWaalsContact C-N 3.29Å; L842-V844 PolarHBondContact O-N 3.2Å |
| 843 | P | 62.3 | Low | 69.6 | Low | 26 Ų | 26 | 36.5 Ų | 36.5 | 17% | 0.169 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -70.5 | -27.7 | -177.8 | 27.3 | -33.8 | 0 | 0 | 0 | 112.5 | L841 Y999 N1002 V1003 D1006 | L841-P843 WeakPolarHBondContact O-CD 3.29Å; P843-Y999 HydrophobicContact CB-CD2 4.06Å; P843-Y999 HydrophobicContact CB-CE2 3.74Å; P843-Y999 HydrophobicContact CG-CD2 4.26Å; P843-Y999 HydrophobicContact CG-CE2 4.14Å; P843-N1002 HydrophobicContact CB-CB 3.66Å; P843-N1002 HydrophobicContact CG-CB 3.78Å; P843-V1003 HydrophobicContact CB-CG2 4.12Å; P843-D1006 VanDerWaalsContact O-CB 3.26Å; P843-D1006 WeakPolarHBondContact O-CB 3.46Å |
| 844 | V | 68.5 | Low | 69.2 | Low | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -121.7 | 132.4 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 110 | L842 Y846 N1002 L1005 D1006 I1009 | L842-V844 VanDerWaalsContact C-N 3.29Å; L842-V844 PolarHBondContact O-N 3.2Å; V844-Y846 HydrophobicContact CG1-CD1 4.49Å; V844-Y846 HydrophobicContact CG1-CE1 3.9Å; V844-Y846 HydrophobicContact CG1-CE2 4.25Å; V844-N1002 HydrophobicContact CG2-CB 4.02Å; V844-N1002 WeakPolarHBondContact CG2-O 3.36Å; V844-L1005 HydrophobicContact CB-CD2 4.33Å; V844-L1005 HydrophobicContact CG1-CD2 3.66Å; V844-L1005 HydrophobicContact CG2-CD2 3.63Å; V844-D1006 VanDerWaalsContact CA-OD1 3.3Å; V844-D1006 WeakPolarHBondContact CA-OD1 3.49Å; V844-D1006 HydrophobicContact CG2-CB 4.39Å; V844-I1009 HydrophobicContact CG1-CD1 3.9Å |
| 845 | R | 69.8 | Low | 69 | Low | 40 Ų | 40 | 41.8 Ų | 41.8 | 15% | 0.151 | 21% | 0.205 | C | C | . | . | trans | -117.6 | 116.7 | 179.1 | -65.8 | -175.7 | -177.4 | -173.7 | 4.7 | 112.7 | R848 V867 Y868 D1006 | R845-R848 PolarHBondContact O-NE 3.08Å; R845-V867 PolarHBondContact NH1-O 3.38Å; R845-Y868 PolarHBondContact NH2-OH 2.75Å; R845-D1006 PolarHBondContact N-OD1 3.45Å | ||
| 846 | Y | 78 | Confident | 69 | Low | 61 Ų | 61 | 46.8 Ų | 46.8 | 24% | 0.239 | 23% | 0.228 | C | C | . | . | trans | -87.1 | -27.6 | 179.7 | -59.6 | -69.7 | 0 | 0 | 0 | 114 | V844 A1115 Q1118 V1119 Q1120 | V844-Y846 HydrophobicContact CG1-CD1 4.49Å; V844-Y846 HydrophobicContact CG1-CE1 3.9Å; V844-Y846 HydrophobicContact CG1-CE2 4.25Å; Y846-A1115 HydrophobicContact CE1-CB 3.95Å; Y846-Q1118 HydrophobicContact CD1-CB 3.56Å; Y846-Q1118 HydrophobicContact CE1-CB 3.85Å; Y846-Q1118 HydrophobicContact CG-CB 4.14Å; Y846-Q1118 PolarHBondContact OH-OE1 3.47Å; Y846-V1119 HydrophobicContact CD1-CG2 4.44Å; Y846-V1119 CarbonylContact O-C 3.49Å; Y846-V1119 VanDerWaalsContact O-CA 3.22Å; Y846-V1119 WeakPolarHBondContact O-CA 3.49Å; Y846-Q1120 PolarHBondContact O-N 2.85Å | ||
| 847 | A | 76.8 | Confident | 69.3 | Low | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1122 Y1131 L1250 N1253 M1254 | A847-L1122 HydrophobicContact CB-CD1 4.46Å; A847-Y1131 HydrophobicContact CB-CD2 4.35Å; A847-Y1131 HydrophobicContact CB-CE2 4.04Å; A847-L1250 HydrophobicContact CB-CD1 4.13Å; A847-N1253 HydrophobicContact CB-CB 4.44Å; A847-M1254 HydrophobicContact CB-SD 4.32Å |
| 848 | R | 80.4 | Confident | 69.8 | Low | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.9 | -176.5 | -63.2 | -68.7 | -175.6 | 140 | -3.4 | 111.3 | R845 I853 D1006 T1010 L1013 V1119 Q1120 L1121 L1122 | R845-R848 PolarHBondContact O-NE 3.08Å; R848-I853 HydrophobicContact CB-CD1 4.41Å; R848-D1006 IonicContact CZ-OD1 2.85Å; R848-D1006 IonicContact CZ-OD2 3.41Å; R848-D1006 IonicContact NH2-OD1 2.79Å; R848-D1006 PolarHBondContact NH2-OD1 2.89Å; R848-D1006 IonicContact NH2-OD2 3.53Å; R848-D1006 PolarHBondContact NH2-OD2 3.4Å; R848-T1010 PolarHBondContact NH1-OG1 3.38Å; R848-T1010 PolarHBondContact NH2-OG1 2.84Å; R848-L1013 HydrophobicContact CB-CD1 4.4Å; R848-L1013 HydrophobicContact CG-CD1 3.94Å; R848-V1119 HydrophobicContact CG-CG1 4.3Å; R848-Q1120 PolarHBondContact N-O 3.48Å; R848-L1121 HydrophobicContact CB-CD1 4.39Å; R848-L1122 PolarHBondContact O-N 3.4Å |
| 849 | L | 76.7 | Confident | 70.1 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.9 | 171.8 | -71.3 | 170.4 | 0 | 0 | 0 | 109.5 | K851 E852 I853 L1122 V1128 Y1131 | L849-K851 PolarHBondContact O-N 3.19Å; L849-E852 HydrophobicContact CB-CB 4.16Å; L849-E852 HydrophobicContact CB-CG 3.98Å; L849-E852 VanDerWaalsContact CD1-CD 3.41Å; L849-E852 HydrophobicContact CD1-CG 4.14Å; L849-E852 WeakPolarHBondContact CD1-OE1 2.91Å; L849-E852 WeakPolarHBondContact CD1-OE2 3.3Å; L849-E852 PolarHBondContact O-N 2.96Å; L849-I853 PolarHBondContact O-N 3.31Å; L849-L1122 HydrophobicContact CD2-CB 3.93Å; L849-L1122 HydrophobicContact CD2-CD1 4.09Å; L849-V1128 HydrophobicContact CD2-CB 4.11Å; L849-V1128 HydrophobicContact CD2-CG1 4.1Å; L849-V1128 HydrophobicContact CD2-CG2 3.81Å; L849-Y1131 HydrophobicContact CD1-CD1 3.56Å; L849-Y1131 HydrophobicContact CD1-CE1 3.6Å; L849-Y1131 HydrophobicContact CD2-CD1 4.06Å; L849-Y1131 HydrophobicContact CD2-CG 4.38Å; L849-Y1131 HydrophobicContact CG-CD1 3.84Å; L849-Y1131 HydrophobicContact CG-CE1 4.01Å; L849-Y1131 HydrophobicContact CG-CG 4.45Å |
| 850 | W | 77.3 | Confident | 70 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -56.1 | -37.9 | -175.8 | -176.4 | -107.6 | 0 | 0 | 0 | 113.4 | E852 I853 I1016 K1017 A1021 L1121 L1122 V1123 V1634 | W850-E852 VanDerWaalsContact C-N 3.32Å; W850-E852 PolarHBondContact O-N 3.32Å; W850-I853 HydrophobicContact CE3-CD1 3.76Å; W850-I853 HydrophobicContact CZ3-CD1 4.33Å; W850-I853 PolarHBondContact O-N 2.87Å; W850-I1016 HydrophobicContact CH2-CG2 4.15Å; W850-K1017 HydrophobicContact CH2-CB 3.9Å; W850-K1017 HydrophobicContact CH2-CG 4.32Å; W850-K1017 HydrophobicContact CZ2-CB 3.93Å; W850-K1017 HydrophobicContact CZ2-CG 3.85Å; W850-K1017 HydrophobicContact CZ3-CB 4.48Å; W850-K1017 PolarHBondContact O-NZ 3.1Å; W850-A1021 HydrophobicContact CZ2-CB 4.14Å; W850-L1121 HydrophobicContact CB-CD1 4.34Å; W850-L1121 HydrophobicContact CB-CG 4.47Å; W850-L1121 HydrophobicContact CD2-CD1 4.46Å; W850-L1121 HydrophobicContact CD2-CD2 4.11Å; W850-L1121 HydrophobicContact CE3-CD1 3.51Å; W850-L1121 HydrophobicContact CE3-CD2 3.35Å; W850-L1121 HydrophobicContact CE3-CG 3.9Å; W850-L1121 HydrophobicContact CZ3-CD1 4.2Å; W850-L1121 HydrophobicContact CZ3-CD2 3.69Å; W850-L1122 PolarHBondContact N-O 3.27Å; W850-V1123 HydrophobicContact CB-CG2 4.11Å; W850-V1123 HydrophobicContact CG-CG2 4.47Å; W850-V1634 HydrophobicContact CD2-CG1 4.17Å; W850-V1634 HydrophobicContact CE3-CG1 4.09Å; W850-V1634 HydrophobicContact CH2-CG1 3.51Å; W850-V1634 HydrophobicContact CZ2-CG1 3.63Å; W850-V1634 HydrophobicContact CZ3-CG1 3.76Å |
| 851 | K | 73.6 | Confident | 70.3 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -65.2 | -31.9 | 178.1 | -66.7 | -169.1 | 176.3 | -168.3 | 0 | 113.7 | L849 K1017 | L849-K851 PolarHBondContact O-N 3.19Å; K851-K1017 PolarHBondContact O-NZ 3.32Å |
| 852 | E | 73.9 | Confident | 70.7 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -86 | -10 | -176.5 | -63.6 | -175 | 169.5 | 0 | 0 | 113.3 | L849 W850 P854 V867 | L849-E852 HydrophobicContact CB-CB 4.16Å; L849-E852 HydrophobicContact CB-CG 3.98Å; L849-E852 VanDerWaalsContact CD1-CD 3.41Å; L849-E852 HydrophobicContact CD1-CG 4.14Å; L849-E852 WeakPolarHBondContact CD1-OE1 2.91Å; L849-E852 WeakPolarHBondContact CD1-OE2 3.3Å; L849-E852 PolarHBondContact O-N 2.96Å; W850-E852 VanDerWaalsContact C-N 3.32Å; W850-E852 PolarHBondContact O-N 3.32Å; E852-P854 WeakPolarHBondContact O-CD 3.49Å; E852-V867 HydrophobicContact CB-CG1 4.43Å; E852-V867 WeakPolarHBondContact OE2-CG1 3.46Å |
| 853 | I | 75.9 | Confident | 70.7 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -70.1 | 120.4 | 176.3 | -61.6 | 164.2 | 0 | 0 | 0 | 108.3 | R848 L849 W850 L1013 K1017 L1121 | R848-I853 HydrophobicContact CB-CD1 4.41Å; L849-I853 PolarHBondContact O-N 3.31Å; W850-I853 HydrophobicContact CE3-CD1 3.76Å; W850-I853 HydrophobicContact CZ3-CD1 4.33Å; W850-I853 PolarHBondContact O-N 2.87Å; I853-L1013 HydrophobicContact CD1-CB 4.14Å; I853-L1013 HydrophobicContact CD1-CD1 4.16Å; I853-L1013 HydrophobicContact CG2-CB 3.91Å; I853-K1017 HydrophobicContact CB-CD 4.19Å; I853-K1017 HydrophobicContact CG2-CD 4.32Å; I853-K1017 WeakPolarHBondContact O-CD 3.38Å; I853-K1017 PolarHBondContact O-NZ 3Å; I853-L1121 HydrophobicContact CD1-CD1 3.72Å |
| 854 | P | 73 | Confident | 70.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 26% | 0.26 | 25% | 0.246 | S | C | . | . | trans | -65.9 | 149.6 | 178.4 | 26.3 | -33.8 | 0 | 0 | 0 | 111.1 | E852 T857 T1010 S1014 | E852-P854 WeakPolarHBondContact O-CD 3.49Å; P854-T857 HydrophobicContact CB-CG2 4.28Å; P854-T857 HydrophobicContact CG-CG2 3.44Å; P854-T857 VanDerWaalsContact CG-CG2 3.44Å; P854-T1010 HydrophobicContact CG-CG2 4.33Å; P854-S1014 WeakPolarHBondContact O-CA 3.21Å; P854-S1014 WeakPolarHBondContact O-CB 3.08Å; P854-S1014 PolarHBondContact O-OG 2.91Å | ||
| 855 | L | 72 | Confident | 70 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 42% | 0.419 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -74.8 | -28.8 | 176.5 | -71.6 | 168.7 | 0 | 0 | 0 | 112.4 | K1017 | L855-K1017 HydrophobicContact CD2-CD 4.11Å; L855-K1017 HydrophobicContact CD2-CG 3.87Å |
| 856 | E | 67.2 | Low | 69.1 | Low | 140 Ų | 140 | 51.9 Ų | 51.9 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | trans | -134.1 | 133.5 | 177.5 | -59.3 | -163.5 | 150.9 | 0 | 0 | 109.9 | K1018 | E856-K1018 IonicContact OE1-NZ 3.51Å; E856-K1018 PolarHBondContact OE1-NZ 3.18Å | ||
| 857 | T | 69.7 | Low | 67.6 | Low | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | trans | -125.9 | 117.2 | 179.8 | 46 | 0 | 0 | 0 | 0 | 110.3 | P854 T1010 T1011 S1014 | P854-T857 HydrophobicContact CB-CG2 4.28Å; P854-T857 HydrophobicContact CG-CG2 3.44Å; P854-T857 VanDerWaalsContact CG-CG2 3.44Å; T857-T1010 HydrophobicContact CG2-CG2 3.96Å; T857-T1011 PolarHBondContact OG1-OG1 3.17Å; T857-S1014 VanDerWaalsContact CG2-OG 3.31Å; T857-S1014 WeakPolarHBondContact CG2-OG 3.27Å | ||
| 858 | C | 67.5 | Low | 66.5 | Low | 72 Ų | 72 | 50.8 Ų | 50.8 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | trans | -104.8 | 146.7 | 172.2 | -73.8 | 0 | 0 | 0 | 0 | 110.3 | E860 T861 Y862 | C858-E860 VanDerWaalsContact C-N 3.28Å; C858-E860 PolarHBondContact O-N 2.78Å; C858-T861 PolarHBondContact O-N 3.49Å; C858-T861 PolarHBondContact O-OG1 2.93Å; C858-Y862 PolarHBondContact O-N 2.88Å; C858-Y862 VanDerWaalsContact O-N 3.15Å | ||
| 859 | I | 64.7 | Low | 64.9 | Low | 34 Ų | 34 | 53.3 Ų | 53.3 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61.7 | -40.3 | 178.8 | -64.4 | 175.5 | 0 | 0 | 0 | 110.5 | T861 Y862 L929 P930 Y1007 C1067 | I859-T861 VanDerWaalsContact C-N 3.25Å; I859-T861 PolarHBondContact O-N 3.02Å; I859-Y862 PolarHBondContact O-N 3.23Å; I859-L929 HydrophobicContact CG2-CD2 4.15Å; I859-P930 WeakPolarHBondContact O-CD 3.47Å; I859-P930 WeakPolarHBondContact O-CG 3.5Å; I859-Y1007 HydrophobicContact CD1-CE1 4.06Å; I859-Y1007 HydrophobicContact CG1-CE1 3.74Å; I859-Y1007 HydrophobicContact CG1-CE2 3.85Å; I859-Y1007 WeakPolarHBondContact CG1-OH 3.37Å; I859-C1067 HydrophobicContact CD1-CB 3.45Å; I859-C1067 VanDerWaalsContact CD1-CB 3.45Å; I859-C1067 WeakPolarHBondContact CD1-SG 3.41Å |
| 860 | E | 58.7 | Low | 63.2 | Low | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -62.8 | -28.1 | -179.6 | -67.6 | 170.7 | -167.6 | 0 | 0 | 113.6 | C858 | C858-E860 VanDerWaalsContact C-N 3.28Å; C858-E860 PolarHBondContact O-N 2.78Å |
| 861 | T | 63.8 | Low | 61.7 | Low | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -102 | -8.4 | -178.1 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | C858 I859 S863 | C858-T861 PolarHBondContact O-N 3.49Å; C858-T861 PolarHBondContact O-OG1 2.93Å; I859-T861 VanDerWaalsContact C-N 3.25Å; I859-T861 PolarHBondContact O-N 3.02Å; T861-S863 PolarHBondContact O-N 3.14Å |
| 862 | Y | 69.4 | Low | 60.7 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | trans | -68 | 110.9 | -173.6 | -170.2 | -98.4 | 0 | 0 | 0 | 111.7 | C858 I859 L929 V1003 D1006 Y1007 T1010 | C858-Y862 PolarHBondContact O-N 2.88Å; C858-Y862 VanDerWaalsContact O-N 3.15Å; I859-Y862 PolarHBondContact O-N 3.23Å; Y862-L929 HydrophobicContact CD1-CB 3.93Å; Y862-L929 HydrophobicContact CD1-CD2 4.1Å; Y862-L929 PolarHBondContact O-N 2.96Å; Y862-V1003 HydrophobicContact CE1-CG1 4.23Å; Y862-D1006 PolarHBondContact OH-OD2 3.39Å; Y862-Y1007 HydrophobicContact CD1-CD2 4.28Å; Y862-Y1007 AromaticContact CD2-CD2 3.68Å; Y862-Y1007 HydrophobicContact CD2-CD2 3.68Å; Y862-Y1007 HydrophobicContact CE2-CD2 4.18Å; Y862-Y1007 AromaticContact CG-CD2 3.71Å; Y862-Y1007 HydrophobicContact CG-CD2 3.71Å; Y862-Y1007 HydrophobicContact CG-CG 4.46Å; Y862-Y1007 PolarHBondContact OH-N 3.45Å; Y862-T1010 HydrophobicContact CE2-CG2 4.27Å; Y862-T1010 PolarHBondContact OH-OG1 3.03Å | ||
| 863 | S | 65.9 | Low | 59.9 | Low | 23 Ų | 23 | 60.4 Ų | 60.4 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | trans | -129 | 144.4 | 172 | 72.2 | 0 | 0 | 0 | 0 | 109.8 | T861 E865 E866 | T861-S863 PolarHBondContact O-N 3.14Å; S863-E865 PolarHBondContact O-N 3.06Å; S863-E865 PolarHBondContact OG-N 2.83Å; S863-E866 PolarHBondContact O-N 3.22Å | ||
| 864 | N | 61.2 | Low | 58.8 | Low | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -62.8 | -7.1 | 171.7 | -73 | -15.5 | 0 | 0 | 0 | 112.3 | L841 Y868 | L841-N864 HydrophobicContact CD1-CB 4.2Å; L841-N864 HydrophobicContact CD2-CB 4.28Å; N864-Y868 WeakPolarHBondContact O-CD2 3.43Å; N864-Y868 WeakPolarHBondContact O-CE2 3.24Å |
| 865 | E | 55.5 | Low | 58.1 | Low | 35 Ų | 35 | 66.2 Ų | 66.2 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -75.8 | -27 | -178.3 | -62.8 | -167.4 | 159.4 | 0 | 0 | 114.3 | S863 V867 Y868 R873 | S863-E865 PolarHBondContact O-N 3.06Å; S863-E865 PolarHBondContact OG-N 2.83Å; E865-V867 PolarHBondContact O-N 3.28Å; E865-V867 VanDerWaalsContact O-N 3.1Å; E865-Y868 WeakPolarHBondContact O-CD2 3.03Å; E865-Y868 PolarHBondContact O-N 3.04Å; E865-R873 PolarHBondContact O-NE 3.32Å; E865-R873 VanDerWaalsContact O-NE 3.12Å |
| 866 | E | 49.1 | Very low | 57.7 | Low | 90 Ų | 90 | 64.3 Ų | 64.3 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -71 | -6.1 | -171.3 | -69.6 | -175.2 | 163.1 | 0 | 0 | 114.3 | S863 R873 | S863-E866 PolarHBondContact O-N 3.22Å; E866-R873 VanDerWaalsContact C-NH2 3.29Å; E866-R873 PolarHBondContact O-NH2 3.32Å |
| 867 | V | 47.7 | Very low | 57.6 | Low | 27 Ų | 27 | 60.7 Ų | 60.7 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -116.5 | 20.3 | -178.2 | -162.1 | 0 | 0 | 0 | 0 | 112.3 | R845 E852 E865 | R845-V867 PolarHBondContact NH1-O 3.38Å; E852-V867 HydrophobicContact CB-CG1 4.43Å; E852-V867 WeakPolarHBondContact OE2-CG1 3.46Å; E865-V867 PolarHBondContact O-N 3.28Å; E865-V867 VanDerWaalsContact O-N 3.1Å |
| 868 | Y | 52.9 | Low | 57.2 | Low | 16 Ų | 16 | 65.8 Ų | 65.8 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -99.7 | 146.6 | 175.3 | -65.1 | -68.3 | 0 | 0 | 0 | 113.2 | L841 R845 N864 E865 Q872 R873 R876 | L841-Y868 VanDerWaalsContact CD1-OH 3.27Å; L841-Y868 WeakPolarHBondContact CD1-OH 3.48Å; L841-Y868 WeakPolarHBondContact CD2-OH 3.29Å; L841-Y868 WeakPolarHBondContact CG-OH 3.37Å; R845-Y868 PolarHBondContact NH2-OH 2.75Å; N864-Y868 WeakPolarHBondContact O-CD2 3.43Å; N864-Y868 WeakPolarHBondContact O-CE2 3.24Å; E865-Y868 WeakPolarHBondContact O-CD2 3.03Å; E865-Y868 PolarHBondContact O-N 3.04Å; Y868-Q872 HydrophobicContact CD1-CB 4.48Å; Y868-Q872 HydrophobicContact CG-CB 4.4Å; Y868-R873 PolarHBondContact O-NE 2.85Å; Y868-R876 PolarHBondContact OH-NH2 3.39Å |
| 869 | S | 47.9 | Very low | 57.2 | Low | 61 Ų | 61 | 64.6 Ų | 64.6 | 43% | 0.427 | 32% | 0.319 | S | S | . | . | trans | -51.5 | 146.7 | 165 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | N871 Q872 R873 | S869-N871 PolarHBondContact O-N 3.33Å; S869-Q872 PolarHBondContact O-N 3.02Å; S869-R873 PolarHBondContact O-N 3.48Å | ||
| 870 | F | 40.9 | Very low | 57.4 | Low | 148 Ų | 148 | 66.7 Ų | 66.7 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -46.7 | -39.5 | -173.7 | -175.1 | -95.9 | 0 | 0 | 0 | 114.4 | Q874 | F870-Q874 PolarHBondContact O-N 3.31Å |
| 871 | N | 44.9 | Very low | 58.1 | Low | 75 Ų | 75 | 68.5 Ų | 68.5 | 40% | 0.401 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.7 | -34.3 | -177.6 | -67.4 | -13 | 0 | 0 | 0 | 113.6 | S869 Q874 N875 | S869-N871 PolarHBondContact O-N 3.33Å; N871-Q874 PolarHBondContact O-N 3.4Å; N871-N875 PolarHBondContact O-N 3.19Å |
| 872 | Q | 53.2 | Low | 58.6 | Low | 33 Ų | 33 | 69.4 Ų | 69.4 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 177.4 | -83.7 | -178.9 | -17.8 | 0 | 0 | 111.8 | Y868 S869 Q874 N875 R876 H1135 | Y868-Q872 HydrophobicContact CD1-CB 4.48Å; Y868-Q872 HydrophobicContact CG-CB 4.4Å; S869-Q872 PolarHBondContact O-N 3.02Å; Q872-Q874 VanDerWaalsContact C-N 3.31Å; Q872-Q874 PolarHBondContact O-N 3.17Å; Q872-N875 PolarHBondContact O-N 2.87Å; Q872-R876 WeakPolarHBondContact O-CB 3.25Å; Q872-R876 PolarHBondContact O-N 3.22Å; Q872-H1135 PolarHBondContact NE2-NE2 3.14Å; Q872-H1135 PolarHBondContact OE1-NE2 2.94Å |
| 873 | R | 56.7 | Low | 59.1 | Low | 111 Ų | 111 | 68.7 Ų | 68.7 | 42% | 0.419 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 172.7 | -69.5 | -168.9 | -174.1 | 158.9 | 6.2 | 111.3 | E865 E866 Y868 S869 R876 V877 | E865-R873 PolarHBondContact O-NE 3.32Å; E865-R873 VanDerWaalsContact O-NE 3.12Å; E866-R873 VanDerWaalsContact C-NH2 3.29Å; E866-R873 PolarHBondContact O-NH2 3.32Å; Y868-R873 PolarHBondContact O-NE 2.85Å; S869-R873 PolarHBondContact O-N 3.48Å; R873-R876 PolarHBondContact O-N 3.04Å; R873-V877 WeakPolarHBondContact O-CB 3.47Å; R873-V877 WeakPolarHBondContact O-CG2 3.23Å; R873-V877 PolarHBondContact O-N 2.89Å |
| 874 | Q | 53.6 | Low | 59.6 | Low | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 178.4 | -73.2 | -166.6 | -12.4 | 0 | 0 | 113 | F870 N871 Q872 R876 V877 Q878 | F870-Q874 PolarHBondContact O-N 3.31Å; N871-Q874 PolarHBondContact O-N 3.4Å; Q872-Q874 VanDerWaalsContact C-N 3.31Å; Q872-Q874 PolarHBondContact O-N 3.17Å; Q874-R876 PolarHBondContact O-N 3.35Å; Q874-V877 PolarHBondContact O-N 3.37Å; Q874-Q878 WeakPolarHBondContact O-CB 3.39Å; Q874-Q878 PolarHBondContact O-N 3.16Å |
| 875 | N | 58 | Low | 60.6 | Low | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.6 | -76.7 | -1.5 | 0 | 0 | 0 | 111.7 | N871 Q872 Q878 E879 | N871-N875 PolarHBondContact O-N 3.19Å; Q872-N875 PolarHBondContact O-N 2.87Å; N875-Q878 CarbonylContact O-C 3.59Å; N875-Q878 WeakPolarHBondContact O-CA 3.26Å; N875-Q878 WeakPolarHBondContact O-CB 3.2Å; N875-Q878 PolarHBondContact O-N 2.76Å; N875-Q878 VanDerWaalsContact O-N 3.12Å; N875-E879 WeakPolarHBondContact O-CG 3.28Å; N875-E879 PolarHBondContact O-N 2.88Å |
| 876 | R | 64.1 | Low | 62 | Low | 41 Ų | 41 | 68.4 Ų | 68.4 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 178.3 | -77.6 | -172 | 172.2 | -131 | -4 | 113.6 | Y868 Q872 R873 Q874 Q878 E879 R880 F924 | Y868-R876 PolarHBondContact OH-NH2 3.39Å; Q872-R876 WeakPolarHBondContact O-CB 3.25Å; Q872-R876 PolarHBondContact O-N 3.22Å; R873-R876 PolarHBondContact O-N 3.04Å; Q874-R876 PolarHBondContact O-N 3.35Å; R876-Q878 PolarHBondContact O-N 2.91Å; R876-E879 PolarHBondContact O-N 2.88Å; R876-R880 VanDerWaalsContact O-CB 3.23Å; R876-R880 WeakPolarHBondContact O-CB 3.44Å; R876-R880 PolarHBondContact O-N 2.95Å; R876-F924 PolarHBondContact NH1-O 2.75Å |
| 877 | V | 63.6 | Low | 63.6 | Low | 64 Ų | 64 | 64.7 Ų | 64.7 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 172.1 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | R873 Q874 K881 | R873-V877 WeakPolarHBondContact O-CB 3.47Å; R873-V877 WeakPolarHBondContact O-CG2 3.23Å; R873-V877 PolarHBondContact O-N 2.89Å; Q874-V877 PolarHBondContact O-N 3.37Å; V877-K881 WeakPolarHBondContact O-CB 3.43Å; V877-K881 VanDerWaalsContact O-CG 3.28Å; V877-K881 WeakPolarHBondContact O-CG 3.43Å; V877-K881 PolarHBondContact O-N 3.23Å |
| 878 | Q | 61.7 | Low | 65.3 | Low | 135 Ų | 135 | 69.3 Ų | 69.3 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.1 | -40.4 | 176.5 | -164.1 | 170 | -1.5 | 0 | 0 | 112.3 | Q874 N875 R876 K881 K882 | Q874-Q878 WeakPolarHBondContact O-CB 3.39Å; Q874-Q878 PolarHBondContact O-N 3.16Å; N875-Q878 CarbonylContact O-C 3.59Å; N875-Q878 WeakPolarHBondContact O-CA 3.26Å; N875-Q878 WeakPolarHBondContact O-CB 3.2Å; N875-Q878 PolarHBondContact O-N 2.76Å; N875-Q878 VanDerWaalsContact O-N 3.12Å; R876-Q878 PolarHBondContact O-N 2.91Å; Q878-K881 WeakPolarHBondContact O-CB 3.43Å; Q878-K881 PolarHBondContact O-N 3.48Å; Q878-K882 PolarHBondContact O-N 3.17Å |
| 879 | E | 66.9 | Low | 66.9 | Low | 47 Ų | 47 | 69.7 Ų | 69.7 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67 | -43 | 174.1 | -72.3 | 160.5 | -179.4 | 0 | 0 | 111.8 | L838 N875 R876 K881 K882 F883 | L838-E879 HydrophobicContact CD2-CB 4.31Å; L838-E879 VanDerWaalsContact CD2-CD 3.46Å; L838-E879 HydrophobicContact CD2-CG 4.2Å; L838-E879 WeakPolarHBondContact CD2-OE2 3.39Å; N875-E879 WeakPolarHBondContact O-CG 3.28Å; N875-E879 PolarHBondContact O-N 2.88Å; R876-E879 PolarHBondContact O-N 2.88Å; E879-K881 VanDerWaalsContact C-N 3.28Å; E879-K881 PolarHBondContact O-N 3.45Å; E879-K882 CarbonylContact O-C 3.58Å; E879-K882 WeakPolarHBondContact O-CA 2.89Å; E879-K882 VanDerWaalsContact O-CB 3.25Å; E879-K882 WeakPolarHBondContact O-CB 3.43Å; E879-K882 PolarHBondContact O-N 3.36Å; E879-F883 VanDerWaalsContact O-CD2 3.24Å; E879-F883 WeakPolarHBondContact O-CD2 3.32Å; E879-F883 PolarHBondContact O-N 2.92Å |
| 880 | R | 70.3 | Confident | 68.7 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 174.5 | -166.1 | 172.3 | -172.2 | -166.5 | -0.8 | 111.2 | R876 G884 L887 F926 E931 | R876-R880 VanDerWaalsContact O-CB 3.23Å; R876-R880 WeakPolarHBondContact O-CB 3.44Å; R876-R880 PolarHBondContact O-N 2.95Å; R880-G884 VanDerWaalsContact O-CA 3.25Å; R880-G884 WeakPolarHBondContact O-CA 3.33Å; R880-G884 PolarHBondContact O-N 3.34Å; R880-L887 HydrophobicContact CG-CD1 4.23Å; R880-F926 HydrophobicContact CB-CD1 4.2Å; R880-F926 HydrophobicContact CB-CE1 4.21Å; R880-F926 HydrophobicContact CG-CD1 4.13Å; R880-F926 PolarHBondContact NH2-O 3.17Å; R880-E931 IonicContact NH2-OE1 3.92Å; R880-E931 PolarHBondContact NH2-OE1 3.22Å; R880-E931 IonicContact NH2-OE2 2.75Å; R880-E931 PolarHBondContact NH2-OE2 3.02Å; R880-E931 VanDerWaalsContact NH2-OE2 3.1Å |
| 881 | K | 72.9 | Confident | 70.6 | Confident | 168 Ų | 168 | 63.1 Ų | 63.1 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 169.3 | -76.5 | 176.8 | -178 | -177.3 | 0 | 112.4 | V877 Q878 E879 G884 | V877-K881 WeakPolarHBondContact O-CB 3.43Å; V877-K881 VanDerWaalsContact O-CG 3.28Å; V877-K881 WeakPolarHBondContact O-CG 3.43Å; V877-K881 PolarHBondContact O-N 3.23Å; Q878-K881 WeakPolarHBondContact O-CB 3.43Å; Q878-K881 PolarHBondContact O-N 3.48Å; E879-K881 VanDerWaalsContact C-N 3.28Å; E879-K881 PolarHBondContact O-N 3.45Å; K881-G884 PolarHBondContact O-N 3.32Å |
| 882 | K | 74.5 | Confident | 72.5 | Confident | 99 Ų | 99 | 64 Ų | 64 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 177.1 | -162.4 | -167.3 | -173 | -167.5 | 0 | 111.9 | I805 D837 Q878 E879 | I805-K882 HydrophobicContact CD1-CD 3.69Å; I805-K882 VanDerWaalsContact CD1-CE 3.4Å; I805-K882 HydrophobicContact CD1-CG 3.72Å; D837-K882 IonicContact OD1-NZ 2.64Å; D837-K882 IonicContact OD2-NZ 2.85Å; D837-K882 PolarHBondContact OD2-NZ 2.97Å; Q878-K882 PolarHBondContact O-N 3.17Å; E879-K882 CarbonylContact O-C 3.58Å; E879-K882 WeakPolarHBondContact O-CA 2.89Å; E879-K882 VanDerWaalsContact O-CB 3.25Å; E879-K882 WeakPolarHBondContact O-CB 3.43Å; E879-K882 PolarHBondContact O-N 3.36Å |
| 883 | F | 78.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -98.6 | 5.4 | -179.9 | -64 | -73.3 | 0 | 0 | 0 | 114.2 | I805 M829 H833 V834 D837 L838 E879 G885 L886 L887 F926 | I805-F883 HydrophobicContact CD1-CD1 4.05Å; I805-F883 HydrophobicContact CD1-CE1 3.48Å; I805-F883 VanDerWaalsContact CD1-CE1 3.48Å; I805-F883 HydrophobicContact CD1-CZ 3.82Å; I805-F883 HydrophobicContact CG1-CE1 4.25Å; M829-F883 HydrophobicContact CE-CD1 4.42Å; H833-F883 HydrophobicContact CB-CE1 4.04Å; H833-F883 HydrophobicContact CB-CZ 4.27Å; V834-F883 HydrophobicContact CG2-CD1 4.38Å; V834-F883 HydrophobicContact CG2-CE1 4.03Å; D837-F883 HydrophobicContact CB-CE2 4.42Å; D837-F883 HydrophobicContact CB-CZ 4.44Å; L838-F883 HydrophobicContact CD1-CE2 4.36Å; E879-F883 VanDerWaalsContact O-CD2 3.24Å; E879-F883 WeakPolarHBondContact O-CD2 3.32Å; E879-F883 PolarHBondContact O-N 2.92Å; F883-G885 VanDerWaalsContact C-N 3.28Å; F883-G885 PolarHBondContact O-N 3.37Å; F883-L886 HydrophobicContact CD1-CD2 4.17Å; F883-L886 WeakPolarHBondContact O-CA 3.32Å; F883-L886 WeakPolarHBondContact O-CB 3.28Å; F883-L886 PolarHBondContact O-N 3.42Å; F883-L887 PolarHBondContact O-N 2.86Å; F883-F926 HydrophobicContact CB-CZ 4.49Å; F883-F926 HydrophobicContact CD2-CE1 4.33Å; F883-F926 HydrophobicContact CD2-CE2 4.48Å; F883-F926 AromaticContact CD2-CZ 3.71Å; F883-F926 HydrophobicContact CD2-CZ 3.71Å; F883-F926 HydrophobicContact CE2-CZ 4.37Å; F883-F926 HydrophobicContact CG-CZ 4.38Å |
| 884 | G | 77.6 | Confident | 75 | Confident | 31 Ų | 31 | 58 Ų | 58 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -36.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R880 K881 K888 | R880-G884 VanDerWaalsContact O-CA 3.25Å; R880-G884 WeakPolarHBondContact O-CA 3.33Å; R880-G884 PolarHBondContact O-N 3.34Å; K881-G884 PolarHBondContact O-N 3.32Å; G884-K888 PolarHBondContact O-N 3Å |
| 885 | G | 81.3 | Confident | 76.2 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F883 Y889 | F883-G885 VanDerWaalsContact C-N 3.28Å; F883-G885 PolarHBondContact O-N 3.37Å; G885-Y889 PolarHBondContact O-N 2.91Å |
| 886 | L | 85.4 | Confident | 77 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.5 | -45.1 | 176.8 | 177 | 71.1 | 0 | 0 | 0 | 111.2 | L809 M812 M829 V834 F883 K888 Y889 V890 L921 | L809-L886 HydrophobicContact CD1-CB 4.17Å; L809-L886 HydrophobicContact CD1-CD1 3.96Å; M812-L886 HydrophobicContact CE-CD1 3.98Å; M829-L886 HydrophobicContact CE-CB 4.29Å; M829-L886 HydrophobicContact CE-CD1 4.19Å; M829-L886 HydrophobicContact CE-CD2 3.89Å; M829-L886 HydrophobicContact CE-CG 4.34Å; M829-L886 HydrophobicContact CG-CD1 4.4Å; M829-L886 HydrophobicContact CG-CD2 4.41Å; V834-L886 HydrophobicContact CG2-CD2 3.76Å; F883-L886 HydrophobicContact CD1-CD2 4.17Å; F883-L886 WeakPolarHBondContact O-CA 3.32Å; F883-L886 WeakPolarHBondContact O-CB 3.28Å; F883-L886 PolarHBondContact O-N 3.42Å; L886-K888 VanDerWaalsContact C-N 3.35Å; L886-K888 PolarHBondContact O-N 3.47Å; L886-Y889 PolarHBondContact O-N 2.98Å; L886-V890 HydrophobicContact CD1-CG2 4.21Å; L886-V890 HydrophobicContact CG-CG2 4.38Å; L886-V890 WeakPolarHBondContact O-CG2 3.43Å; L886-V890 PolarHBondContact O-N 3.4Å; L886-L921 HydrophobicContact CD2-CD1 4.14Å; L886-L921 HydrophobicContact CD2-CD2 4.14Å; L886-L921 HydrophobicContact CG-CD1 4.36Å |
| 887 | L | 81.7 | Confident | 77.4 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.9 | -51 | 178.3 | -76.8 | 163 | 0 | 0 | 0 | 111 | R880 F883 Y889 V890 E891 L921 F926 Y927 | R880-L887 HydrophobicContact CG-CD1 4.23Å; F883-L887 PolarHBondContact O-N 2.86Å; L887-Y889 VanDerWaalsContact C-N 3.31Å; L887-Y889 PolarHBondContact O-N 3.21Å; L887-V890 PolarHBondContact O-N 3.38Å; L887-E891 WeakPolarHBondContact O-CG 3.37Å; L887-E891 PolarHBondContact O-N 3.46Å; L887-L921 HydrophobicContact CD2-CB 4.34Å; L887-L921 HydrophobicContact CD2-CD1 4.02Å; L887-L921 HydrophobicContact CD2-CD2 4.32Å; L887-L921 HydrophobicContact CD2-CG 4.46Å; L887-F926 HydrophobicContact CD1-CB 4.05Å; L887-F926 HydrophobicContact CD1-CD1 4.18Å; L887-F926 HydrophobicContact CD1-CG 4.28Å; L887-F926 HydrophobicContact CD2-CB 3.73Å; L887-F926 HydrophobicContact CD2-CG 4.39Å; L887-F926 HydrophobicContact CG-CB 4.49Å; L887-Y927 HydrophobicContact CD2-CE1 4.46Å; L887-Y927 HydrophobicContact CD2-CE2 3.88Å |
| 888 | K | 84.9 | Confident | 77.4 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 177.8 | -176.7 | 174.4 | 172.5 | 177.2 | 0 | 112.3 | G884 L886 E891 E892 | G884-K888 PolarHBondContact O-N 3Å; L886-K888 VanDerWaalsContact C-N 3.35Å; L886-K888 PolarHBondContact O-N 3.47Å; K888-E891 PolarHBondContact O-N 3.47Å; K888-E892 WeakPolarHBondContact CE-OE1 3.46Å; K888-E892 HydrophobicContact CG-CG 4.48Å; K888-E892 IonicContact NZ-OE1 2.75Å; K888-E892 WeakPolarHBondContact O-CB 2.83Å; K888-E892 WeakPolarHBondContact O-CG 3.39Å; K888-E892 PolarHBondContact O-N 3.46Å |
| 889 | Y | 86.2 | Confident | 77.2 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 179.6 | 177.4 | -113.1 | 0 | 0 | 0 | 113.2 | L809 M812 T813 R822 G885 L886 L887 E891 E892 Y893 I914 | L809-Y889 HydrophobicContact CD1-CD1 4.45Å; M812-Y889 HydrophobicContact CB-CE1 4.29Å; M812-Y889 HydrophobicContact CE-CD1 4.48Å; M812-Y889 HydrophobicContact CE-CE1 4.35Å; M812-Y889 PolarHBondContact O-OH 3.22Å; T813-Y889 HydrophobicContact CG2-CD1 4.18Å; T813-Y889 HydrophobicContact CG2-CD2 3.56Å; T813-Y889 HydrophobicContact CG2-CE1 4.36Å; T813-Y889 HydrophobicContact CG2-CE2 3.77Å; T813-Y889 HydrophobicContact CG2-CG 3.78Å; R822-Y889 PolarHBondContact NH2-OH 2.79Å; G885-Y889 PolarHBondContact O-N 2.91Å; L886-Y889 PolarHBondContact O-N 2.98Å; L887-Y889 VanDerWaalsContact C-N 3.31Å; L887-Y889 PolarHBondContact O-N 3.21Å; Y889-E891 VanDerWaalsContact C-N 3.31Å; Y889-E891 PolarHBondContact O-N 3.43Å; Y889-E892 PolarHBondContact O-N 2.74Å; Y889-Y893 VanDerWaalsContact O-CB 3.32Å; Y889-Y893 WeakPolarHBondContact O-CB 3.48Å; Y889-Y893 PolarHBondContact O-N 2.94Å; Y889-I914 HydrophobicContact CE1-CD1 4.19Å |
| 890 | V | 84.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L886 L887 L894 I914 A918 L921 | L886-V890 HydrophobicContact CD1-CG2 4.21Å; L886-V890 HydrophobicContact CG-CG2 4.38Å; L886-V890 WeakPolarHBondContact O-CG2 3.43Å; L886-V890 PolarHBondContact O-N 3.4Å; L887-V890 PolarHBondContact O-N 3.38Å; V890-L894 HydrophobicContact CG1-CD1 3.81Å; V890-L894 WeakPolarHBondContact O-CB 3.21Å; V890-L894 WeakPolarHBondContact O-CD1 3.5Å; V890-L894 WeakPolarHBondContact O-CG 3.37Å; V890-L894 PolarHBondContact O-N 2.87Å; V890-L894 VanDerWaalsContact O-N 3.1Å; V890-I914 HydrophobicContact CG1-CG2 4.22Å; V890-I914 HydrophobicContact CG2-CG2 4.48Å; V890-A918 HydrophobicContact CG1-CB 3.92Å; V890-L921 HydrophobicContact CG2-CD1 4.2Å |
| 891 | E | 81.9 | Confident | 75.9 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 175.2 | -70.1 | 165.7 | -174.1 | 0 | 0 | 111.8 | L887 K888 Y889 Y893 L894 Y895 Y927 | L887-E891 WeakPolarHBondContact O-CG 3.37Å; L887-E891 PolarHBondContact O-N 3.46Å; K888-E891 PolarHBondContact O-N 3.47Å; Y889-E891 VanDerWaalsContact C-N 3.31Å; Y889-E891 PolarHBondContact O-N 3.43Å; E891-Y893 PolarHBondContact O-N 3.38Å; E891-L894 PolarHBondContact O-N 3.22Å; E891-Y895 VanDerWaalsContact O-CB 3.27Å; E891-Y895 WeakPolarHBondContact O-CB 3.18Å; E891-Y895 PolarHBondContact O-N 3.35Å; E891-Y927 HydrophobicContact CG-CE1 4.16Å; E891-Y927 VanDerWaalsContact OE1-CE1 3.31Å; E891-Y927 WeakPolarHBondContact OE1-CE1 3.49Å |
| 892 | E | 83.5 | Confident | 75 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 178.7 | -76.3 | 174 | 169.2 | 0 | 0 | 111.8 | K888 Y889 Y895 E896 | K888-E892 WeakPolarHBondContact CE-OE1 3.46Å; K888-E892 HydrophobicContact CG-CG 4.48Å; K888-E892 IonicContact NZ-OE1 2.75Å; K888-E892 WeakPolarHBondContact O-CB 2.83Å; K888-E892 WeakPolarHBondContact O-CG 3.39Å; K888-E892 PolarHBondContact O-N 3.46Å; Y889-E892 PolarHBondContact O-N 2.74Å; E892-Y895 PolarHBondContact O-N 3.02Å; E892-E896 WeakPolarHBondContact O-CG 3.23Å; E892-E896 PolarHBondContact O-N 3.32Å |
| 893 | Y | 83.9 | Confident | 74.1 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | -179.9 | -178.8 | -97.8 | 0 | 0 | 0 | 112.8 | Y889 E891 Y895 E896 L897 F910 T911 I914 | Y889-Y893 VanDerWaalsContact O-CB 3.32Å; Y889-Y893 WeakPolarHBondContact O-CB 3.48Å; Y889-Y893 PolarHBondContact O-N 2.94Å; E891-Y893 PolarHBondContact O-N 3.38Å; Y893-Y895 VanDerWaalsContact C-N 3.32Å; Y893-E896 PolarHBondContact O-N 3.04Å; Y893-L897 HydrophobicContact CD1-CD1 3.88Å; Y893-L897 HydrophobicContact CE1-CD1 3.44Å; Y893-L897 VanDerWaalsContact CE1-CD1 3.44Å; Y893-L897 HydrophobicContact CE1-CG 4.2Å; Y893-L897 WeakPolarHBondContact O-CG 3.24Å; Y893-L897 PolarHBondContact O-N 3.42Å; Y893-F910 HydrophobicContact CD2-CE1 4.22Å; Y893-F910 HydrophobicContact CE1-CD1 4.44Å; Y893-F910 HydrophobicContact CE1-CE1 4.35Å; Y893-F910 HydrophobicContact CE2-CD1 4.01Å; Y893-F910 AromaticContact CE2-CE1 3.63Å; Y893-F910 HydrophobicContact CE2-CE1 3.63Å; Y893-F910 AromaticContact CZ-CD1 3.71Å; Y893-F910 AromaticContact CZ-CE1 3.71Å; Y893-F910 WeakPolarHBondContact OH-CD1 3.32Å; Y893-T911 PolarHBondContact OH-OG1 2.78Å; Y893-T911 VanDerWaalsContact OH-OG1 3.08Å; Y893-I914 HydrophobicContact CD1-CB 4.23Å; Y893-I914 HydrophobicContact CD1-CG1 4.11Å; Y893-I914 HydrophobicContact CD1-CG2 3.77Å; Y893-I914 HydrophobicContact CE1-CB 4.24Å; Y893-I914 HydrophobicContact CE1-CG1 4.05Å; Y893-I914 HydrophobicContact CE1-CG2 4.27Å |
| 894 | L | 80 | Confident | 73.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 177 | -68 | 169.7 | 0 | 0 | 0 | 111.8 | V890 E891 L897 I914 V915 A918 L935 M939 I942 | V890-L894 HydrophobicContact CG1-CD1 3.81Å; V890-L894 WeakPolarHBondContact O-CB 3.21Å; V890-L894 WeakPolarHBondContact O-CD1 3.5Å; V890-L894 WeakPolarHBondContact O-CG 3.37Å; V890-L894 PolarHBondContact O-N 2.87Å; V890-L894 VanDerWaalsContact O-N 3.1Å; E891-L894 PolarHBondContact O-N 3.22Å; L894-L897 HydrophobicContact CD2-CD1 4.35Å; L894-L897 PolarHBondContact O-N 3.3Å; L894-I914 HydrophobicContact CD2-CG2 4.45Å; L894-I914 HydrophobicContact CG-CG2 4.49Å; L894-V915 HydrophobicContact CD2-CG2 4.36Å; L894-A918 HydrophobicContact CD1-CB 4.43Å; L894-L935 HydrophobicContact CD1-CD1 3.48Å; L894-L935 VanDerWaalsContact CD1-CD1 3.48Å; L894-M939 HydrophobicContact CD1-CE 3.29Å; L894-M939 HydrophobicContact CD1-SD 4.25Å; L894-M939 HydrophobicContact CD2-CE 3.66Å; L894-M939 HydrophobicContact CD2-SD 3.85Å; L894-M939 HydrophobicContact CG-CE 4.12Å; L894-I942 HydrophobicContact CB-CD1 4.33Å; L894-I942 HydrophobicContact CD2-CD1 3.83Å |
| 895 | Y | 78.5 | Confident | 73 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 174.1 | -178.2 | -96.1 | 0 | 0 | 0 | 112.3 | E891 E892 Y893 L897 K898 | E891-Y895 VanDerWaalsContact O-CB 3.27Å; E891-Y895 WeakPolarHBondContact O-CB 3.18Å; E891-Y895 PolarHBondContact O-N 3.35Å; E892-Y895 PolarHBondContact O-N 3.02Å; Y893-Y895 VanDerWaalsContact C-N 3.32Å; Y895-L897 VanDerWaalsContact C-N 3.28Å; Y895-L897 PolarHBondContact O-N 3.4Å; Y895-K898 HydrophobicContact CD2-CD 4.08Å; Y895-K898 HydrophobicContact CE2-CD 4.22Å; Y895-K898 VanDerWaalsContact O-CB 3.28Å; Y895-K898 WeakPolarHBondContact O-CB 3.37Å; Y895-K898 VanDerWaalsContact O-CG 3.23Å; Y895-K898 WeakPolarHBondContact O-CG 3.21Å; Y895-K898 PolarHBondContact O-N 3.19Å |
| 896 | E | 75.5 | Confident | 72.4 | Confident | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -34 | 177 | -75.5 | 179.5 | 171.1 | 0 | 0 | 112.7 | E892 Y893 K898 S899 | E892-E896 WeakPolarHBondContact O-CG 3.23Å; E892-E896 PolarHBondContact O-N 3.32Å; Y893-E896 PolarHBondContact O-N 3.04Å; E896-K898 PolarHBondContact O-N 3.05Å; E896-K898 VanDerWaalsContact O-N 3.14Å; E896-S899 PolarHBondContact O-N 3.18Å; E896-S899 PolarHBondContact O-OG 3.36Å; E896-S899 VanDerWaalsContact O-OG 3.05Å |
| 897 | L | 70.8 | Confident | 72 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -62 | -17.8 | 177 | -79.9 | 171.2 | 0 | 0 | 0 | 113.9 | Y893 L894 Y895 S899 A900 L902 T911 I942 | Y893-L897 HydrophobicContact CD1-CD1 3.88Å; Y893-L897 HydrophobicContact CE1-CD1 3.44Å; Y893-L897 VanDerWaalsContact CE1-CD1 3.44Å; Y893-L897 HydrophobicContact CE1-CG 4.2Å; Y893-L897 WeakPolarHBondContact O-CG 3.24Å; Y893-L897 PolarHBondContact O-N 3.42Å; L894-L897 HydrophobicContact CD2-CD1 4.35Å; L894-L897 PolarHBondContact O-N 3.3Å; Y895-L897 VanDerWaalsContact C-N 3.28Å; Y895-L897 PolarHBondContact O-N 3.4Å; L897-S899 PolarHBondContact O-N 3.3Å; L897-S899 VanDerWaalsContact O-N 3.13Å; L897-A900 HydrophobicContact CD2-CB 4.45Å; L897-A900 PolarHBondContact O-N 3.31Å; L897-L902 HydrophobicContact CD2-CD1 4.48Å; L897-L902 HydrophobicContact CD2-CD2 3.97Å; L897-L902 HydrophobicContact CD2-CG 4.24Å; L897-T911 HydrophobicContact CD1-CG2 3.75Å; L897-I942 HydrophobicContact CB-CD1 4.06Å; L897-I942 HydrophobicContact CB-CG1 4.07Å; L897-I942 HydrophobicContact CD1-CD1 4.29Å |
| 898 | K | 65.3 | Low | 71.8 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -55 | -30.9 | 174.6 | -68.9 | -174.6 | -179.1 | -142.7 | 0 | 113.4 | Y895 E896 D938 D941 | Y895-K898 HydrophobicContact CD2-CD 4.08Å; Y895-K898 HydrophobicContact CE2-CD 4.22Å; Y895-K898 VanDerWaalsContact O-CB 3.28Å; Y895-K898 WeakPolarHBondContact O-CB 3.37Å; Y895-K898 VanDerWaalsContact O-CG 3.23Å; Y895-K898 WeakPolarHBondContact O-CG 3.21Å; Y895-K898 PolarHBondContact O-N 3.19Å; E896-K898 PolarHBondContact O-N 3.05Å; E896-K898 VanDerWaalsContact O-N 3.14Å; K898-D938 VanDerWaalsContact CE-CG 3.46Å; K898-D938 WeakPolarHBondContact CE-OD1 3.45Å; K898-D938 IonicContact NZ-OD1 3.89Å; K898-D938 PolarHBondContact NZ-OD1 3.04Å; K898-D941 WeakPolarHBondContact CE-OD2 3.28Å; K898-D941 HydrophobicContact CG-CB 4.3Å; K898-D941 IonicContact NZ-OD2 3.65Å; K898-D941 PolarHBondContact NZ-OD2 2.93Å |
| 899 | S | 55.9 | Low | 71.7 | Confident | 113 Ų | 113 | 68.2 Ų | 68.2 | 79% | 0.79 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -100.4 | -10.1 | -175.6 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | E896 L897 | E896-S899 PolarHBondContact O-N 3.18Å; E896-S899 PolarHBondContact O-OG 3.36Å; E896-S899 VanDerWaalsContact O-OG 3.05Å; L897-S899 PolarHBondContact O-N 3.3Å; L897-S899 VanDerWaalsContact O-N 3.13Å |
| 900 | A | 54.8 | Low | 71.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | trans | -101.4 | 132.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L897 L902 | L897-A900 HydrophobicContact CD2-CB 4.45Å; L897-A900 PolarHBondContact O-N 3.31Å; A900-L902 PolarHBondContact O-N 2.69Å | ||
| 901 | K | 56.4 | Low | 71.6 | Confident | 178 Ų | 178 | 67.4 Ų | 67.4 | 77% | 0.774 | 33% | 0.329 | S | S | * | . | trans | -77.1 | 110.6 | 167.5 | -70 | -177.4 | 178.8 | -179.4 | 0 | 109.4 | V903 | K901-V903 HydrophobicContact CB-CG2 4.23Å; K901-V903 PolarHBondContact O-N 3.04Å | ||
| 902 | L | 53.5 | Low | 71.7 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | trans | -69.9 | 94.5 | 174.3 | -79.2 | 156.6 | 0 | 0 | 0 | 110.7 | L897 A900 Q907 N908 | L897-L902 HydrophobicContact CD2-CD1 4.48Å; L897-L902 HydrophobicContact CD2-CD2 3.97Å; L897-L902 HydrophobicContact CD2-CG 4.24Å; A900-L902 PolarHBondContact O-N 2.69Å; L902-Q907 HydrophobicContact CD2-CG 4.01Å; L902-N908 WeakPolarHBondContact CD2-OD1 3.47Å | ||
| 903 | V | 56.4 | Low | 71.8 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | trans | -105.3 | -35 | -179.4 | -178 | 0 | 0 | 0 | 0 | 112.4 | K901 | K901-V903 HydrophobicContact CB-CG2 4.23Å; K901-V903 PolarHBondContact O-N 3.04Å | ||
| 904 | Y | 64.6 | Low | 71.9 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | trans | -91.7 | 135.3 | -168.3 | -59.1 | -73.5 | 0 | 0 | 0 | 113.4 | E906 Q907 N908 | Y904-E906 VanDerWaalsContact C-N 3.33Å; Y904-E906 PolarHBondContact O-N 3.45Å; Y904-Q907 PolarHBondContact O-N 3.41Å; Y904-N908 PolarHBondContact O-N 2.9Å; Y904-N908 PolarHBondContact O-ND2 3.42Å | ||
| 905 | K | 67.7 | Low | 72.1 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -52.6 | -47.1 | 177.7 | -174 | 173.5 | 163.2 | -176.5 | 0 | 113 | Q907 N908 V909 E981 C982 | K905-Q907 VanDerWaalsContact C-N 3.35Å; K905-Q907 PolarHBondContact O-N 3.14Å; K905-N908 WeakPolarHBondContact O-CB 3.49Å; K905-N908 PolarHBondContact O-N 3.46Å; K905-V909 WeakPolarHBondContact O-CG2 3.35Å; K905-V909 PolarHBondContact O-N 3.02Å; K905-E981 WeakPolarHBondContact CE-OE2 3.33Å; K905-E981 IonicContact NZ-OE2 2.74Å; K905-E981 PolarHBondContact NZ-OE2 2.87Å; K905-C982 WeakPolarHBondContact CA-SG 3.49Å; K905-C982 WeakPolarHBondContact CB-SG 3.25Å |
| 906 | E | 67.9 | Low | 72.5 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | -176.2 | -51.3 | -169.1 | 158.3 | 0 | 0 | 111.8 | F819 N820 Y904 V909 F910 | F819-E906 HydrophobicContact CB-CB 3.85Å; N820-E906 PolarHBondContact ND2-OE1 2.87Å; N820-E906 WeakPolarHBondContact OD1-CB 3.4Å; N820-E906 WeakPolarHBondContact OD1-CG 3.35Å; Y904-E906 VanDerWaalsContact C-N 3.33Å; Y904-E906 PolarHBondContact O-N 3.45Å; E906-V909 PolarHBondContact O-N 2.79Å; E906-F910 PolarHBondContact O-N 3.08Å |
| 907 | Q | 77.3 | Confident | 72.9 | Confident | 29 Ų | 29 | 48.9 Ų | 48.9 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.5 | -170.4 | -179.9 | 9.4 | 0 | 0 | 110.4 | F819 L902 Y904 K905 V909 F910 T911 | F819-Q907 HydrophobicContact CE1-CG 4.3Å; F819-Q907 HydrophobicContact CZ-CG 4.42Å; L902-Q907 HydrophobicContact CD2-CG 4.01Å; Y904-Q907 PolarHBondContact O-N 3.41Å; K905-Q907 VanDerWaalsContact C-N 3.35Å; K905-Q907 PolarHBondContact O-N 3.14Å; Q907-V909 VanDerWaalsContact C-N 3.33Å; Q907-V909 PolarHBondContact O-N 3.13Å; Q907-F910 PolarHBondContact O-N 3.17Å; Q907-T911 PolarHBondContact O-N 3.29Å; Q907-T911 PolarHBondContact O-OG1 3.49Å |
| 908 | N | 78.9 | Confident | 73.7 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.2 | -68.9 | -31.6 | 0 | 0 | 0 | 112.8 | L902 Y904 K905 T911 L912 V985 | L902-N908 WeakPolarHBondContact CD2-OD1 3.47Å; Y904-N908 PolarHBondContact O-N 2.9Å; Y904-N908 PolarHBondContact O-ND2 3.42Å; K905-N908 WeakPolarHBondContact O-CB 3.49Å; K905-N908 PolarHBondContact O-N 3.46Å; N908-T911 PolarHBondContact O-N 2.8Å; N908-L912 WeakPolarHBondContact O-CB 3.2Å; N908-L912 PolarHBondContact O-N 2.91Å; N908-V985 HydrophobicContact CB-CG1 3.95Å; N908-V985 WeakPolarHBondContact O-CG1 3.39Å |
| 909 | V | 81.6 | Confident | 74.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -45 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | A823 K905 E906 Q907 T911 L912 E913 V985 | A823-V909 HydrophobicContact CB-CG1 4.13Å; K905-V909 WeakPolarHBondContact O-CG2 3.35Å; K905-V909 PolarHBondContact O-N 3.02Å; E906-V909 PolarHBondContact O-N 2.79Å; Q907-V909 VanDerWaalsContact C-N 3.33Å; Q907-V909 PolarHBondContact O-N 3.13Å; V909-T911 PolarHBondContact O-N 2.54Å; V909-L912 PolarHBondContact O-N 2.97Å; V909-E913 WeakPolarHBondContact O-CG 3.49Å; V909-E913 PolarHBondContact O-N 2.92Å; V909-E913 VanDerWaalsContact O-N 3.1Å; V909-V985 HydrophobicContact CG2-CG1 4.28Å; V909-V985 HydrophobicContact CG2-CG2 4.24Å |
| 910 | F | 87.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.9 | -178.6 | -122.9 | 0 | 0 | 0 | 111.8 | F819 R822 A823 A826 Y893 E906 Q907 L912 E913 I914 | F819-F910 HydrophobicContact CB-CB 4.42Å; F819-F910 HydrophobicContact CD1-CB 4.39Å; F819-F910 AromaticContact CD1-CD1 3.98Å; F819-F910 HydrophobicContact CD1-CD1 3.98Å; F819-F910 HydrophobicContact CD1-CG 4.41Å; F819-F910 HydrophobicContact CE1-CD1 4.5Å; R822-F910 HydrophobicContact CB-CD2 3.83Å; R822-F910 HydrophobicContact CB-CE2 3.6Å; R822-F910 HydrophobicContact CB-CG 4.48Å; R822-F910 HydrophobicContact CB-CZ 4.07Å; A823-F910 HydrophobicContact CB-CB 4.17Å; A823-F910 HydrophobicContact CB-CD2 4.11Å; A826-F910 HydrophobicContact CB-CE2 4.18Å; Y893-F910 HydrophobicContact CD2-CE1 4.22Å; Y893-F910 HydrophobicContact CE1-CD1 4.44Å; Y893-F910 HydrophobicContact CE1-CE1 4.35Å; Y893-F910 HydrophobicContact CE2-CD1 4.01Å; Y893-F910 AromaticContact CE2-CE1 3.63Å; Y893-F910 HydrophobicContact CE2-CE1 3.63Å; Y893-F910 AromaticContact CZ-CD1 3.71Å; Y893-F910 AromaticContact CZ-CE1 3.71Å; Y893-F910 WeakPolarHBondContact OH-CD1 3.32Å; E906-F910 PolarHBondContact O-N 3.08Å; Q907-F910 PolarHBondContact O-N 3.17Å; F910-L912 VanDerWaalsContact C-N 3.34Å; F910-L912 PolarHBondContact O-N 3.38Å; F910-E913 PolarHBondContact O-N 3Å; F910-I914 HydrophobicContact CD1-CG1 4.49Å; F910-I914 HydrophobicContact CD2-CG1 4.31Å; F910-I914 HydrophobicContact CE1-CD1 4.49Å; F910-I914 HydrophobicContact CE1-CG1 4.14Å; F910-I914 HydrophobicContact CE2-CD1 3.9Å; F910-I914 HydrophobicContact CE2-CG1 3.96Å; F910-I914 HydrophobicContact CZ-CD1 3.79Å; F910-I914 HydrophobicContact CZ-CG1 3.88Å; F910-I914 WeakPolarHBondContact O-CG1 3.45Å; F910-I914 PolarHBondContact O-N 2.98Å |
| 911 | T | 81.7 | Confident | 77.2 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.7 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | Y893 L897 Q907 N908 V909 E913 I914 V915 | Y893-T911 PolarHBondContact OH-OG1 2.78Å; Y893-T911 VanDerWaalsContact OH-OG1 3.08Å; L897-T911 HydrophobicContact CD1-CG2 3.75Å; Q907-T911 PolarHBondContact O-N 3.29Å; Q907-T911 PolarHBondContact O-OG1 3.49Å; N908-T911 PolarHBondContact O-N 2.8Å; V909-T911 PolarHBondContact O-N 2.54Å; T911-E913 VanDerWaalsContact C-N 3.34Å; T911-E913 PolarHBondContact O-N 2.84Å; T911-I914 PolarHBondContact O-N 2.8Å; T911-V915 HydrophobicContact CG2-CG2 4.31Å; T911-V915 VanDerWaalsContact O-CG2 3.23Å; T911-V915 WeakPolarHBondContact O-CG2 3.45Å; T911-V915 PolarHBondContact O-N 2.79Å |
| 912 | L | 83.7 | Confident | 78.3 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -44 | 175.8 | 175.1 | 63.1 | 0 | 0 | 0 | 112 | N908 V909 F910 V915 N916 V985 Q988 A989 V992 | N908-L912 WeakPolarHBondContact O-CB 3.2Å; N908-L912 PolarHBondContact O-N 2.91Å; V909-L912 PolarHBondContact O-N 2.97Å; F910-L912 VanDerWaalsContact C-N 3.34Å; F910-L912 PolarHBondContact O-N 3.38Å; L912-V915 PolarHBondContact O-N 2.61Å; L912-N916 PolarHBondContact O-N 3.14Å; L912-N916 PolarHBondContact O-ND2 2.86Å; L912-V985 HydrophobicContact CB-CG1 4.15Å; L912-V985 HydrophobicContact CD2-CG1 4.04Å; L912-Q988 HydrophobicContact CD1-CB 4.25Å; L912-Q988 HydrophobicContact CD2-CB 4.33Å; L912-A989 HydrophobicContact CD1-CB 3.97Å; L912-V992 HydrophobicContact CD1-CG2 4.3Å |
| 913 | E | 85.8 | Confident | 79.4 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 177.5 | -60 | -58.6 | 175.5 | 0 | 0 | 112.3 | A823 A826 R827 V909 F910 T911 N916 L917 | A823-E913 HydrophobicContact CB-CG 4.25Å; A826-E913 HydrophobicContact CB-CB 3.95Å; R827-E913 HydrophobicContact CB-CG 4.48Å; R827-E913 IonicContact CZ-OE1 2.77Å; R827-E913 VanDerWaalsContact CZ-OE1 3.24Å; R827-E913 IonicContact NE-OE1 2.67Å; R827-E913 PolarHBondContact NE-OE1 2.97Å; R827-E913 IonicContact NE-OE2 3.89Å; R827-E913 IonicContact NH2-OE1 3.26Å; R827-E913 PolarHBondContact NH2-OE1 3.37Å; V909-E913 WeakPolarHBondContact O-CG 3.49Å; V909-E913 PolarHBondContact O-N 2.92Å; V909-E913 VanDerWaalsContact O-N 3.1Å; F910-E913 PolarHBondContact O-N 3Å; T911-E913 VanDerWaalsContact C-N 3.34Å; T911-E913 PolarHBondContact O-N 2.84Å; E913-N916 WeakPolarHBondContact O-CB 3.43Å; E913-N916 PolarHBondContact O-N 2.92Å; E913-N916 PolarHBondContact OE2-ND2 2.84Å; E913-L917 PolarHBondContact O-N 3.19Å |
| 914 | I | 86.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 172 | -64.2 | -66.5 | 0 | 0 | 0 | 111.3 | M812 A826 Y889 V890 Y893 L894 F910 T911 N916 L917 A918 | M812-I914 HydrophobicContact CE-CD1 3.88Å; A826-I914 HydrophobicContact CB-CD1 4.43Å; Y889-I914 HydrophobicContact CE1-CD1 4.19Å; V890-I914 HydrophobicContact CG1-CG2 4.22Å; V890-I914 HydrophobicContact CG2-CG2 4.48Å; Y893-I914 HydrophobicContact CD1-CB 4.23Å; Y893-I914 HydrophobicContact CD1-CG1 4.11Å; Y893-I914 HydrophobicContact CD1-CG2 3.77Å; Y893-I914 HydrophobicContact CE1-CB 4.24Å; Y893-I914 HydrophobicContact CE1-CG1 4.05Å; Y893-I914 HydrophobicContact CE1-CG2 4.27Å; L894-I914 HydrophobicContact CD2-CG2 4.45Å; L894-I914 HydrophobicContact CG-CG2 4.49Å; F910-I914 HydrophobicContact CD1-CG1 4.49Å; F910-I914 HydrophobicContact CD2-CG1 4.31Å; F910-I914 HydrophobicContact CE1-CD1 4.49Å; F910-I914 HydrophobicContact CE1-CG1 4.14Å; F910-I914 HydrophobicContact CE2-CD1 3.9Å; F910-I914 HydrophobicContact CE2-CG1 3.96Å; F910-I914 HydrophobicContact CZ-CD1 3.79Å; F910-I914 HydrophobicContact CZ-CG1 3.88Å; F910-I914 WeakPolarHBondContact O-CG1 3.45Å; F910-I914 PolarHBondContact O-N 2.98Å; T911-I914 PolarHBondContact O-N 2.8Å; I914-N916 VanDerWaalsContact C-N 3.33Å; I914-N916 PolarHBondContact O-N 2.76Å; I914-L917 HydrophobicContact CD1-CD1 4.15Å; I914-L917 WeakPolarHBondContact O-CB 3.48Å; I914-L917 PolarHBondContact O-N 3.01Å; I914-A918 PolarHBondContact O-N 3.06Å |
| 915 | V | 84.6 | Confident | 80.5 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | L894 T911 L912 A918 R919 M939 V992 I993 I996 | L894-V915 HydrophobicContact CD2-CG2 4.36Å; T911-V915 HydrophobicContact CG2-CG2 4.31Å; T911-V915 VanDerWaalsContact O-CG2 3.23Å; T911-V915 WeakPolarHBondContact O-CG2 3.45Å; T911-V915 PolarHBondContact O-N 2.79Å; L912-V915 PolarHBondContact O-N 2.61Å; V915-A918 PolarHBondContact O-N 3.02Å; V915-R919 WeakPolarHBondContact O-CB 3.3Å; V915-R919 PolarHBondContact O-N 2.83Å; V915-M939 HydrophobicContact CB-CE 4.49Å; V915-M939 HydrophobicContact CG1-CE 4.22Å; V915-M939 HydrophobicContact CG2-CE 4.03Å; V915-M939 HydrophobicContact CG2-SD 4.21Å; V915-V992 HydrophobicContact CG1-CB 3.83Å; V915-V992 HydrophobicContact CG1-CG1 3.6Å; V915-I993 HydrophobicContact CG1-CG1 3.92Å; V915-I996 HydrophobicContact CG1-CD1 4.41Å |
| 916 | N | 85.4 | Confident | 80.9 | Confident | 24 Ų | 24 | 19.3 Ų | 19.3 | 13% | 0.128 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64 | -41 | 171.3 | -80.7 | -37.9 | 0 | 0 | 0 | 112.4 | L830 L912 E913 I914 R919 A920 | L830-N916 HydrophobicContact CD2-CB 4.04Å; L912-N916 PolarHBondContact O-N 3.14Å; L912-N916 PolarHBondContact O-ND2 2.86Å; E913-N916 WeakPolarHBondContact O-CB 3.43Å; E913-N916 PolarHBondContact O-N 2.92Å; E913-N916 PolarHBondContact OE2-ND2 2.84Å; I914-N916 VanDerWaalsContact C-N 3.33Å; I914-N916 PolarHBondContact O-N 2.76Å; N916-R919 PolarHBondContact O-N 2.83Å; N916-R919 PolarHBondContact OD1-NH2 3.35Å; N916-A920 PolarHBondContact O-N 3.09Å |
| 917 | L | 85.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.9 | -48.3 | 171.3 | -82.4 | 162.1 | 0 | 0 | 0 | 111.2 | M812 A826 M829 L830 V834 E913 I914 R919 A920 L921 | M812-L917 HydrophobicContact CE-CD1 3.63Å; A826-L917 HydrophobicContact CB-CD1 3.76Å; M829-L917 HydrophobicContact CG-CD2 4.3Å; L830-L917 HydrophobicContact CB-CD2 3.77Å; L830-L917 HydrophobicContact CB-CG 4.21Å; L830-L917 HydrophobicContact CD1-CD2 4.17Å; V834-L917 HydrophobicContact CG2-CD2 3.97Å; E913-L917 PolarHBondContact O-N 3.19Å; I914-L917 HydrophobicContact CD1-CD1 4.15Å; I914-L917 WeakPolarHBondContact O-CB 3.48Å; I914-L917 PolarHBondContact O-N 3.01Å; L917-R919 VanDerWaalsContact C-N 3.35Å; L917-R919 PolarHBondContact O-N 2.98Å; L917-A920 WeakPolarHBondContact O-CB 3.44Å; L917-A920 PolarHBondContact O-N 3.07Å; L917-A920 VanDerWaalsContact O-N 3.15Å; L917-L921 VanDerWaalsContact O-CG 3.28Å; L917-L921 WeakPolarHBondContact O-CG 3.43Å; L917-L921 PolarHBondContact O-N 3.39Å |
| 918 | A | 86.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V890 L894 I914 V915 A920 L921 V922 M939 I996 | V890-A918 HydrophobicContact CG1-CB 3.92Å; L894-A918 HydrophobicContact CD1-CB 4.43Å; I914-A918 PolarHBondContact O-N 3.06Å; V915-A918 PolarHBondContact O-N 3.02Å; A918-A920 VanDerWaalsContact C-N 3.32Å; A918-A920 PolarHBondContact O-N 2.8Å; A918-L921 PolarHBondContact O-N 3.11Å; A918-V922 WeakPolarHBondContact O-CB 3.5Å; A918-V922 VanDerWaalsContact O-CG2 3.24Å; A918-V922 WeakPolarHBondContact O-CG2 3.38Å; A918-V922 PolarHBondContact O-N 2.88Å; A918-M939 HydrophobicContact CB-CE 3.92Å; A918-I996 HydrophobicContact CB-CD1 4.4Å |
| 919 | R | 86 | Confident | 80.9 | Confident | 70 Ų | 70 | 15.6 Ų | 15.6 | 26% | 0.264 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 175.1 | 179.2 | 178.7 | 59.1 | 176.1 | -1.9 | 112 | V915 N916 L917 K923 V992 D995 I996 | V915-R919 WeakPolarHBondContact O-CB 3.3Å; V915-R919 PolarHBondContact O-N 2.83Å; N916-R919 PolarHBondContact O-N 2.83Å; N916-R919 PolarHBondContact OD1-NH2 3.35Å; L917-R919 VanDerWaalsContact C-N 3.35Å; L917-R919 PolarHBondContact O-N 2.98Å; R919-K923 HydrophobicContact CG-CD 4.36Å; R919-K923 WeakPolarHBondContact O-CB 3.43Å; R919-K923 WeakPolarHBondContact O-CG 3.45Å; R919-K923 PolarHBondContact O-N 3.49Å; R919-V992 HydrophobicContact CB-CG1 3.83Å; R919-V992 HydrophobicContact CG-CG1 4.33Å; R919-D995 IonicContact NH1-OD2 3.32Å; R919-D995 PolarHBondContact NH1-OD2 3.32Å; R919-I996 HydrophobicContact CB-CD1 4.06Å; R919-I996 HydrophobicContact CB-CG1 3.94Å; R919-I996 HydrophobicContact CG-CG1 4.27Å |
| 920 | A | 79.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 14.8 Ų | 14.8 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L830 V834 N916 L917 A918 V922 K923 F924 | L830-A920 HydrophobicContact CD1-CB 3.37Å; V834-A920 HydrophobicContact CG1-CB 3.99Å; N916-A920 PolarHBondContact O-N 3.09Å; L917-A920 WeakPolarHBondContact O-CB 3.44Å; L917-A920 PolarHBondContact O-N 3.07Å; L917-A920 VanDerWaalsContact O-N 3.15Å; A918-A920 VanDerWaalsContact C-N 3.32Å; A918-A920 PolarHBondContact O-N 2.8Å; A920-V922 VanDerWaalsContact C-N 3.32Å; A920-V922 PolarHBondContact O-N 3.43Å; A920-K923 PolarHBondContact O-N 2.86Å; A920-K923 VanDerWaalsContact O-N 3.17Å; A920-F924 HydrophobicContact CB-CD2 4.3Å; A920-F924 HydrophobicContact CB-CE2 3.98Å; A920-F924 WeakPolarHBondContact O-CD2 3.24Å; A920-F924 WeakPolarHBondContact O-CG 2.9Å; A920-F924 PolarHBondContact O-N 3.44Å |
| 921 | L | 83.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.9 | -67.8 | 169.4 | 0 | 0 | 0 | 112.5 | V834 L886 L887 V890 L917 A918 F924 G925 F926 Y927 | V834-L921 HydrophobicContact CG1-CD2 4.05Å; V834-L921 HydrophobicContact CG1-CG 4.48Å; L886-L921 HydrophobicContact CD2-CD1 4.14Å; L886-L921 HydrophobicContact CD2-CD2 4.14Å; L886-L921 HydrophobicContact CG-CD1 4.36Å; L887-L921 HydrophobicContact CD2-CB 4.34Å; L887-L921 HydrophobicContact CD2-CD1 4.02Å; L887-L921 HydrophobicContact CD2-CD2 4.32Å; L887-L921 HydrophobicContact CD2-CG 4.46Å; V890-L921 HydrophobicContact CG2-CD1 4.2Å; L917-L921 VanDerWaalsContact O-CG 3.28Å; L917-L921 WeakPolarHBondContact O-CG 3.43Å; L917-L921 PolarHBondContact O-N 3.39Å; A918-L921 PolarHBondContact O-N 3.11Å; L921-F924 PolarHBondContact O-N 2.83Å; L921-G925 PolarHBondContact O-N 2.67Å; L921-F926 HydrophobicContact CB-CD2 4.18Å; L921-F926 HydrophobicContact CD2-CD2 3.54Å; L921-F926 HydrophobicContact CD2-CE2 3.75Å; L921-F926 HydrophobicContact CD2-CG 4.39Å; L921-F926 HydrophobicContact CG-CD2 4.49Å; L921-F926 WeakPolarHBondContact O-CD2 3.35Å; L921-F926 PolarHBondContact O-N 3.18Å; L921-F926 VanDerWaalsContact O-N 3.11Å; L921-Y927 HydrophobicContact CB-CD2 4.38Å; L921-Y927 HydrophobicContact CB-CE2 3.72Å |
| 922 | V | 80.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 173 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | A918 A920 F924 G925 Y927 L932 L935 I996 Y999 | A918-V922 WeakPolarHBondContact O-CB 3.5Å; A918-V922 VanDerWaalsContact O-CG2 3.24Å; A918-V922 WeakPolarHBondContact O-CG2 3.38Å; A918-V922 PolarHBondContact O-N 2.88Å; A920-V922 VanDerWaalsContact C-N 3.32Å; A920-V922 PolarHBondContact O-N 3.43Å; V922-F924 VanDerWaalsContact C-N 3.29Å; V922-F924 PolarHBondContact O-N 2.96Å; V922-G925 WeakPolarHBondContact O-CA 3.48Å; V922-G925 PolarHBondContact O-N 2.96Å; V922-Y927 HydrophobicContact CB-CD2 4.32Å; V922-Y927 HydrophobicContact CG2-CD2 3.49Å; V922-Y927 VanDerWaalsContact CG2-CD2 3.49Å; V922-Y927 HydrophobicContact CG2-CE2 3.84Å; V922-Y927 HydrophobicContact CG2-CG 4.22Å; V922-L932 HydrophobicContact CB-CD1 4.38Å; V922-L932 HydrophobicContact CG1-CD1 3.71Å; V922-L932 HydrophobicContact CG2-CD1 3.71Å; V922-L935 HydrophobicContact CG2-CD2 3.6Å; V922-I996 HydrophobicContact CG1-CG2 4.46Å; V922-I996 HydrophobicContact CG2-CG2 4.32Å; V922-Y999 HydrophobicContact CG1-CD1 3.17Å; V922-Y999 HydrophobicContact CG1-CE1 3.47Å; V922-Y999 VanDerWaalsContact CG1-CE1 3.47Å; V922-Y999 HydrophobicContact CG1-CG 3.9Å; V922-Y999 VanDerWaalsContact O-CE1 3.3Å; V922-Y999 WeakPolarHBondContact O-CE1 3.42Å; V922-Y999 VanDerWaalsContact O-CZ 3.32Å; V922-Y999 PolarHBondContact O-OH 2.7Å; V922-Y999 VanDerWaalsContact O-OH 3.12Å |
| 923 | K | 76.4 | Confident | 79 | Confident | 71 Ų | 71 | 18.2 Ų | 18.2 | 31% | 0.309 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -63.4 | -31.2 | 178.8 | -78.1 | -177.4 | 165.1 | -160.8 | 0 | 113.9 | E840 L841 R919 A920 Y999 | E840-K923 WeakPolarHBondContact OE1-CD 3.21Å; E840-K923 IonicContact OE1-NZ 3.09Å; E840-K923 PolarHBondContact OE1-NZ 3.06Å; E840-K923 VanDerWaalsContact OE1-NZ 3.16Å; L841-K923 WeakPolarHBondContact CB-O 3.47Å; L841-K923 PolarHBondContact N-O 2.73Å; R919-K923 HydrophobicContact CG-CD 4.36Å; R919-K923 WeakPolarHBondContact O-CB 3.43Å; R919-K923 WeakPolarHBondContact O-CG 3.45Å; R919-K923 PolarHBondContact O-N 3.49Å; A920-K923 PolarHBondContact O-N 2.86Å; A920-K923 VanDerWaalsContact O-N 3.17Å; K923-Y999 HydrophobicContact CG-CD2 4.44Å |
| 924 | F | 74.9 | Confident | 78.5 | Confident | 7 Ų | 7 | 20.6 Ų | 20.6 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -80.2 | -8.2 | 174.1 | -64.1 | -53.7 | 0 | 0 | 0 | 112.9 | V834 I835 L838 E840 R876 A920 L921 V922 F926 | V834-F924 HydrophobicContact CG1-CD2 4.01Å; V834-F924 HydrophobicContact CG1-CE2 3.99Å; V834-F924 WeakPolarHBondContact O-CE2 3.43Å; I835-F924 HydrophobicContact CB-CZ 4.47Å; I835-F924 HydrophobicContact CG1-CE2 4.26Å; I835-F924 HydrophobicContact CG1-CZ 4.35Å; L838-F924 HydrophobicContact CB-CB 4.19Å; L838-F924 HydrophobicContact CB-CD1 3.43Å; L838-F924 VanDerWaalsContact CB-CD1 3.43Å; L838-F924 HydrophobicContact CB-CD2 4.25Å; L838-F924 HydrophobicContact CB-CE1 3.82Å; L838-F924 HydrophobicContact CB-CG 3.7Å; L838-F924 HydrophobicContact CB-CZ 4.4Å; L838-F924 HydrophobicContact CD1-CB 3.81Å; L838-F924 HydrophobicContact CD1-CD1 4.42Å; L838-F924 HydrophobicContact CD1-CD2 3.96Å; L838-F924 HydrophobicContact CD1-CG 3.81Å; L838-F924 HydrophobicContact CG-CG 4.42Å; L838-F924 VanDerWaalsContact O-CE1 3.29Å; L838-F924 WeakPolarHBondContact O-CE1 3.28Å; E840-F924 HydrophobicContact CG-CE1 3.92Å; R876-F924 PolarHBondContact NH1-O 2.75Å; A920-F924 HydrophobicContact CB-CD2 4.3Å; A920-F924 HydrophobicContact CB-CE2 3.98Å; A920-F924 WeakPolarHBondContact O-CD2 3.24Å; A920-F924 WeakPolarHBondContact O-CG 2.9Å; A920-F924 PolarHBondContact O-N 3.44Å; L921-F924 PolarHBondContact O-N 2.83Å; V922-F924 VanDerWaalsContact C-N 3.29Å; V922-F924 PolarHBondContact O-N 2.96Å; F924-F926 HydrophobicContact CB-CD2 4.02Å; F924-F926 HydrophobicContact CB-CE2 3.93Å |
| 925 | G | 69.1 | Low | 78 | Confident | 10 Ų | 10 | 20.8 Ų | 20.8 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 34.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L921 V922 Y927 | L921-G925 PolarHBondContact O-N 2.67Å; V922-G925 WeakPolarHBondContact O-CA 3.48Å; V922-G925 PolarHBondContact O-N 2.96Å; G925-Y927 VanDerWaalsContact C-N 3.31Å |
| 926 | F | 76.5 | Confident | 77.5 | Confident | 13 Ų | 13 | 20.7 Ų | 20.7 | 6% | 0.057 | 10% | 0.103 | C | C | . | . | trans | -75.8 | -20.4 | 173.2 | -73.3 | -68.8 | 0 | 0 | 0 | 114.1 | L838 R880 F883 L887 L921 F924 | L838-F926 HydrophobicContact CD1-CD2 4.42Å; L838-F926 HydrophobicContact CD1-CE2 3.17Å; L838-F926 HydrophobicContact CD1-CZ 3.25Å; L838-F926 HydrophobicContact CD2-CZ 4.22Å; L838-F926 HydrophobicContact CG-CZ 4.35Å; R880-F926 HydrophobicContact CB-CD1 4.2Å; R880-F926 HydrophobicContact CB-CE1 4.21Å; R880-F926 HydrophobicContact CG-CD1 4.13Å; R880-F926 PolarHBondContact NH2-O 3.17Å; F883-F926 HydrophobicContact CB-CZ 4.49Å; F883-F926 HydrophobicContact CD2-CE1 4.33Å; F883-F926 HydrophobicContact CD2-CE2 4.48Å; F883-F926 AromaticContact CD2-CZ 3.71Å; F883-F926 HydrophobicContact CD2-CZ 3.71Å; F883-F926 HydrophobicContact CE2-CZ 4.37Å; F883-F926 HydrophobicContact CG-CZ 4.38Å; L887-F926 HydrophobicContact CD1-CB 4.05Å; L887-F926 HydrophobicContact CD1-CD1 4.18Å; L887-F926 HydrophobicContact CD1-CG 4.28Å; L887-F926 HydrophobicContact CD2-CB 3.73Å; L887-F926 HydrophobicContact CD2-CG 4.39Å; L887-F926 HydrophobicContact CG-CB 4.49Å; L921-F926 HydrophobicContact CB-CD2 4.18Å; L921-F926 HydrophobicContact CD2-CD2 3.54Å; L921-F926 HydrophobicContact CD2-CE2 3.75Å; L921-F926 HydrophobicContact CD2-CG 4.39Å; L921-F926 HydrophobicContact CG-CD2 4.49Å; L921-F926 WeakPolarHBondContact O-CD2 3.35Å; L921-F926 PolarHBondContact O-N 3.18Å; L921-F926 VanDerWaalsContact O-N 3.11Å; F924-F926 HydrophobicContact CB-CD2 4.02Å; F924-F926 HydrophobicContact CB-CE2 3.93Å | ||
| 927 | Y | 76.3 | Confident | 76.8 | Confident | 17 Ų | 17 | 21.8 Ų | 21.8 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -94.4 | 126.5 | 177.7 | -67.7 | -87.4 | 0 | 0 | 0 | 110.2 | L887 E891 L921 V922 G925 E931 L935 | L887-Y927 HydrophobicContact CD2-CE1 4.46Å; L887-Y927 HydrophobicContact CD2-CE2 3.88Å; E891-Y927 HydrophobicContact CG-CE1 4.16Å; E891-Y927 VanDerWaalsContact OE1-CE1 3.31Å; E891-Y927 WeakPolarHBondContact OE1-CE1 3.49Å; L921-Y927 HydrophobicContact CB-CD2 4.38Å; L921-Y927 HydrophobicContact CB-CE2 3.72Å; V922-Y927 HydrophobicContact CB-CD2 4.32Å; V922-Y927 HydrophobicContact CG2-CD2 3.49Å; V922-Y927 VanDerWaalsContact CG2-CD2 3.49Å; V922-Y927 HydrophobicContact CG2-CE2 3.84Å; V922-Y927 HydrophobicContact CG2-CG 4.22Å; G925-Y927 VanDerWaalsContact C-N 3.31Å; Y927-E931 WeakPolarHBondContact CA-OE2 3.41Å; Y927-E931 HydrophobicContact CD1-CB 3.97Å; Y927-L935 HydrophobicContact CD1-CD2 4.17Å; Y927-L935 HydrophobicContact CD2-CD2 4.31Å; Y927-L935 HydrophobicContact CE1-CD2 3.91Å; Y927-L935 HydrophobicContact CE2-CD2 4.01Å; Y927-L935 HydrophobicContact CG-CD2 4.38Å |
| 928 | S | 74 | Confident | 76.3 | Confident | 20 Ų | 20 | 22.3 Ų | 22.3 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | trans | -68.3 | 166.3 | 164.4 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | E931 L932 | S928-E931 PolarHBondContact N-OE2 2.74Å; S928-E931 PolarHBondContact O-N 2.73Å; S928-E931 WeakPolarHBondContact OG-CG 3.41Å; S928-E931 PolarHBondContact OG-N 3.32Å; S928-E931 PolarHBondContact OG-OE1 2.96Å; S928-E931 PolarHBondContact OG-OE2 2.8Å; S928-L932 VanDerWaalsContact O-CB 3.24Å; S928-L932 WeakPolarHBondContact O-CB 3.45Å; S928-L932 PolarHBondContact O-N 3.29Å | ||
| 929 | L | 73.7 | Confident | 75.8 | Confident | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 179.3 | 174.1 | 65.2 | 0 | 0 | 0 | 112.6 | I859 Y862 L932 L933 V1003 Y1007 | I859-L929 HydrophobicContact CG2-CD2 4.15Å; Y862-L929 HydrophobicContact CD1-CB 3.93Å; Y862-L929 HydrophobicContact CD1-CD2 4.1Å; Y862-L929 PolarHBondContact O-N 2.96Å; L929-L932 PolarHBondContact O-N 3.44Å; L929-L933 HydrophobicContact CD1-CD1 4.32Å; L929-L933 HydrophobicContact CD1-CD2 4.5Å; L929-L933 HydrophobicContact CD1-CG 4.18Å; L929-L933 HydrophobicContact CG-CD1 4.27Å; L929-L933 VanDerWaalsContact O-CG 3.23Å; L929-L933 WeakPolarHBondContact O-CG 3.31Å; L929-L933 PolarHBondContact O-N 3.32Å; L929-V1003 HydrophobicContact CD1-CG1 4.22Å; L929-Y1007 HydrophobicContact CD2-CD1 4.35Å; L929-Y1007 HydrophobicContact CD2-CD2 4.24Å; L929-Y1007 HydrophobicContact CD2-CG 3.89Å |
| 930 | P | 70.3 | Confident | 75 | Confident | 16 Ų | 16 | 19.1 Ų | 19.1 | 10% | 0.104 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.6 | -23.1 | 32.8 | 0 | 0 | 0 | 113.4 | I859 L932 L933 I934 | I859-P930 WeakPolarHBondContact O-CD 3.47Å; I859-P930 WeakPolarHBondContact O-CG 3.5Å; P930-L932 VanDerWaalsContact C-N 3.27Å; P930-L932 PolarHBondContact O-N 3.43Å; P930-L933 PolarHBondContact O-N 3.01Å; P930-L933 VanDerWaalsContact O-N 3.13Å; P930-I934 WeakPolarHBondContact O-CG1 3.33Å; P930-I934 PolarHBondContact O-N 3.46Å |
| 931 | E | 77.1 | Confident | 74.6 | Confident | 61 Ų | 61 | 20.8 Ų | 20.8 | 29% | 0.285 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 178.1 | -66.5 | 162.7 | -171.7 | 0 | 0 | 110.8 | R880 Y927 S928 I934 L935 | R880-E931 IonicContact NH2-OE1 3.92Å; R880-E931 PolarHBondContact NH2-OE1 3.22Å; R880-E931 IonicContact NH2-OE2 2.75Å; R880-E931 PolarHBondContact NH2-OE2 3.02Å; R880-E931 VanDerWaalsContact NH2-OE2 3.1Å; Y927-E931 WeakPolarHBondContact CA-OE2 3.41Å; Y927-E931 HydrophobicContact CD1-CB 3.97Å; S928-E931 PolarHBondContact N-OE2 2.74Å; S928-E931 PolarHBondContact O-N 2.73Å; S928-E931 WeakPolarHBondContact OG-CG 3.41Å; S928-E931 PolarHBondContact OG-N 3.32Å; S928-E931 PolarHBondContact OG-OE1 2.96Å; S928-E931 PolarHBondContact OG-OE2 2.8Å; E931-I934 PolarHBondContact O-N 3.44Å; E931-L935 WeakPolarHBondContact O-CB 3.37Å; E931-L935 PolarHBondContact O-N 2.89Å |
| 932 | L | 76 | Confident | 73.9 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -38.2 | 176 | -175.4 | 61.6 | 0 | 0 | 0 | 111.7 | V922 S928 L929 P930 L935 T936 I996 Y999 A1000 V1003 | V922-L932 HydrophobicContact CB-CD1 4.38Å; V922-L932 HydrophobicContact CG1-CD1 3.71Å; V922-L932 HydrophobicContact CG2-CD1 3.71Å; S928-L932 VanDerWaalsContact O-CB 3.24Å; S928-L932 WeakPolarHBondContact O-CB 3.45Å; S928-L932 PolarHBondContact O-N 3.29Å; L929-L932 PolarHBondContact O-N 3.44Å; P930-L932 VanDerWaalsContact C-N 3.27Å; P930-L932 PolarHBondContact O-N 3.43Å; L932-L935 HydrophobicContact CD1-CD2 4.41Å; L932-L935 PolarHBondContact O-N 3.28Å; L932-T936 HydrophobicContact CD1-CG2 4.44Å; L932-T936 WeakPolarHBondContact O-CB 3.42Å; L932-T936 VanDerWaalsContact O-CG2 3.27Å; L932-T936 WeakPolarHBondContact O-CG2 3.48Å; L932-T936 PolarHBondContact O-N 3.12Å; L932-T936 PolarHBondContact O-OG1 2.54Å; L932-T936 VanDerWaalsContact O-OG1 3.05Å; L932-I996 HydrophobicContact CD1-CG2 4.33Å; L932-Y999 HydrophobicContact CD2-CD1 4.25Å; L932-A1000 HydrophobicContact CD2-CB 3.73Å; L932-A1000 HydrophobicContact CG-CB 3.97Å; L932-V1003 HydrophobicContact CD2-CB 4.4Å; L932-V1003 HydrophobicContact CD2-CG2 4.31Å |
| 933 | L | 71.1 | Confident | 73.4 | Confident | 31 Ų | 31 | 22.2 Ų | 22.2 | 16% | 0.162 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 176.2 | -69.6 | 172.1 | 0 | 0 | 0 | 111.3 | L929 P930 T936 Q937 F1071 | L929-L933 HydrophobicContact CD1-CD1 4.32Å; L929-L933 HydrophobicContact CD1-CD2 4.5Å; L929-L933 HydrophobicContact CD1-CG 4.18Å; L929-L933 HydrophobicContact CG-CD1 4.27Å; L929-L933 VanDerWaalsContact O-CG 3.23Å; L929-L933 WeakPolarHBondContact O-CG 3.31Å; L929-L933 PolarHBondContact O-N 3.32Å; P930-L933 PolarHBondContact O-N 3.01Å; P930-L933 VanDerWaalsContact O-N 3.13Å; L933-T936 WeakPolarHBondContact CA-OG1 3.36Å; L933-T936 PolarHBondContact O-N 2.65Å; L933-T936 PolarHBondContact O-OG1 2.98Å; L933-Q937 WeakPolarHBondContact O-CB 3.28Å; L933-Q937 PolarHBondContact O-N 3.14Å; L933-F1071 HydrophobicContact CD2-CD1 4.1Å; L933-F1071 HydrophobicContact CD2-CE1 3.32Å; L933-F1071 HydrophobicContact CD2-CZ 3.77Å |
| 934 | I | 74.9 | Confident | 72.8 | Confident | 67 Ų | 67 | 21.2 Ų | 21.2 | 34% | 0.344 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 173.7 | -61.5 | 165 | 0 | 0 | 0 | 110 | P930 E931 T936 Q937 D938 W1065 | P930-I934 WeakPolarHBondContact O-CG1 3.33Å; P930-I934 PolarHBondContact O-N 3.46Å; E931-I934 PolarHBondContact O-N 3.44Å; I934-T936 VanDerWaalsContact C-N 3.32Å; I934-T936 PolarHBondContact O-N 2.82Å; I934-Q937 WeakPolarHBondContact O-CA 3.49Å; I934-Q937 VanDerWaalsContact O-CB 3.31Å; I934-Q937 WeakPolarHBondContact O-CB 3.27Å; I934-Q937 PolarHBondContact O-N 3.25Å; I934-D938 PolarHBondContact O-N 2.93Å; I934-W1065 HydrophobicContact CD1-CH2 3.7Å; I934-W1065 HydrophobicContact CD1-CZ2 4.21Å; I934-W1065 HydrophobicContact CG1-CH2 3.79Å; I934-W1065 HydrophobicContact CG1-CZ2 3.85Å |
| 935 | L | 77.3 | Confident | 71.8 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 178.5 | -177.6 | 70.5 | 0 | 0 | 0 | 111.8 | L894 V922 Y927 E931 L932 Q937 D938 M939 | L894-L935 HydrophobicContact CD1-CD1 3.48Å; L894-L935 VanDerWaalsContact CD1-CD1 3.48Å; V922-L935 HydrophobicContact CG2-CD2 3.6Å; Y927-L935 HydrophobicContact CD1-CD2 4.17Å; Y927-L935 HydrophobicContact CD2-CD2 4.31Å; Y927-L935 HydrophobicContact CE1-CD2 3.91Å; Y927-L935 HydrophobicContact CE2-CD2 4.01Å; Y927-L935 HydrophobicContact CG-CD2 4.38Å; E931-L935 WeakPolarHBondContact O-CB 3.37Å; E931-L935 PolarHBondContact O-N 2.89Å; L932-L935 HydrophobicContact CD1-CD2 4.41Å; L932-L935 PolarHBondContact O-N 3.28Å; L935-Q937 VanDerWaalsContact C-N 3.26Å; L935-Q937 PolarHBondContact O-N 3.12Å; L935-D938 PolarHBondContact O-N 3.49Å; L935-M939 HydrophobicContact CD1-CE 4.44Å; L935-M939 VanDerWaalsContact O-CG 3.24Å; L935-M939 WeakPolarHBondContact O-CG 3.31Å; L935-M939 PolarHBondContact O-N 3.44Å |
| 936 | T | 74.1 | Confident | 70.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.4 | -32.9 | 176.5 | 53.4 | 0 | 0 | 0 | 0 | 112 | L932 L933 I934 M939 L940 I996 L997 A1000 F1071 | L932-T936 HydrophobicContact CD1-CG2 4.44Å; L932-T936 WeakPolarHBondContact O-CB 3.42Å; L932-T936 VanDerWaalsContact O-CG2 3.27Å; L932-T936 WeakPolarHBondContact O-CG2 3.48Å; L932-T936 PolarHBondContact O-N 3.12Å; L932-T936 PolarHBondContact O-OG1 2.54Å; L932-T936 VanDerWaalsContact O-OG1 3.05Å; L933-T936 WeakPolarHBondContact CA-OG1 3.36Å; L933-T936 PolarHBondContact O-N 2.65Å; L933-T936 PolarHBondContact O-OG1 2.98Å; I934-T936 VanDerWaalsContact C-N 3.32Å; I934-T936 PolarHBondContact O-N 2.82Å; T936-M939 PolarHBondContact O-N 3.47Å; T936-L940 WeakPolarHBondContact O-CB 3.43Å; T936-L940 WeakPolarHBondContact O-CG 3.39Å; T936-L940 PolarHBondContact O-N 3.05Å; T936-I996 HydrophobicContact CG2-CG2 4.17Å; T936-L997 HydrophobicContact CG2-CD2 3.79Å; T936-A1000 HydrophobicContact CG2-CB 3.93Å; T936-F1071 WeakPolarHBondContact OG1-CE1 3.35Å |
| 937 | Q | 70.5 | Confident | 68.9 | Low | 47 Ų | 47 | 31 Ų | 31 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -46.7 | 174.4 | -177.4 | 173.2 | -6.8 | 0 | 0 | 111.1 | L933 I934 L935 M939 L940 D941 | L933-Q937 WeakPolarHBondContact O-CB 3.28Å; L933-Q937 PolarHBondContact O-N 3.14Å; I934-Q937 WeakPolarHBondContact O-CA 3.49Å; I934-Q937 VanDerWaalsContact O-CB 3.31Å; I934-Q937 WeakPolarHBondContact O-CB 3.27Å; I934-Q937 PolarHBondContact O-N 3.25Å; L935-Q937 VanDerWaalsContact C-N 3.26Å; L935-Q937 PolarHBondContact O-N 3.12Å; Q937-M939 VanDerWaalsContact C-N 3.26Å; Q937-M939 PolarHBondContact O-N 2.97Å; Q937-L940 PolarHBondContact O-N 2.8Å; Q937-L940 VanDerWaalsContact O-N 3.08Å; Q937-D941 PolarHBondContact O-N 3.3Å |
| 938 | D | 74.7 | Confident | 66.6 | Low | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 176.4 | -60.4 | -15.4 | 0 | 0 | 0 | 111.1 | K898 I934 L935 D941 I942 | K898-D938 VanDerWaalsContact CE-CG 3.46Å; K898-D938 WeakPolarHBondContact CE-OD1 3.45Å; K898-D938 IonicContact NZ-OD1 3.89Å; K898-D938 PolarHBondContact NZ-OD1 3.04Å; I934-D938 PolarHBondContact O-N 2.93Å; L935-D938 PolarHBondContact O-N 3.49Å; D938-D941 PolarHBondContact O-N 2.91Å; D938-I942 WeakPolarHBondContact O-CD1 3.4Å; D938-I942 VanDerWaalsContact O-CG1 3.22Å; D938-I942 WeakPolarHBondContact O-CG1 3.46Å; D938-I942 PolarHBondContact O-N 2.78Å |
| 939 | M | 76.1 | Confident | 64.5 | Low | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -36.9 | 175.1 | -67.2 | -69.1 | -166.8 | 0 | 0 | 113.2 | L894 V915 A918 L935 T936 Q937 I942 M943 I993 I996 | L894-M939 HydrophobicContact CD1-CE 3.29Å; L894-M939 HydrophobicContact CD1-SD 4.25Å; L894-M939 HydrophobicContact CD2-CE 3.66Å; L894-M939 HydrophobicContact CD2-SD 3.85Å; L894-M939 HydrophobicContact CG-CE 4.12Å; V915-M939 HydrophobicContact CB-CE 4.49Å; V915-M939 HydrophobicContact CG1-CE 4.22Å; V915-M939 HydrophobicContact CG2-CE 4.03Å; V915-M939 HydrophobicContact CG2-SD 4.21Å; A918-M939 HydrophobicContact CB-CE 3.92Å; L935-M939 HydrophobicContact CD1-CE 4.44Å; L935-M939 VanDerWaalsContact O-CG 3.24Å; L935-M939 WeakPolarHBondContact O-CG 3.31Å; L935-M939 PolarHBondContact O-N 3.44Å; T936-M939 PolarHBondContact O-N 3.47Å; Q937-M939 VanDerWaalsContact C-N 3.26Å; Q937-M939 PolarHBondContact O-N 2.97Å; M939-I942 PolarHBondContact O-N 3.27Å; M939-I942 HydrophobicContact SD-CD1 4.29Å; M939-M943 VanDerWaalsContact O-CG 3.29Å; M939-M943 WeakPolarHBondContact O-CG 3.48Å; M939-M943 PolarHBondContact O-N 3.11Å; M939-I993 HydrophobicContact CB-CD1 4.45Å; M939-I993 HydrophobicContact CB-CG1 4.37Å; M939-I993 HydrophobicContact CB-CG2 3.75Å; M939-I993 HydrophobicContact CG-CG1 4.49Å; M939-I993 HydrophobicContact CG-CG2 4.48Å; M939-I993 HydrophobicContact SD-CD1 4.08Å; M939-I993 HydrophobicContact SD-CG1 3.89Å; M939-I996 HydrophobicContact CE-CD1 4.2Å |
| 940 | L | 69.2 | Low | 62.4 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 175 | -73.4 | 168.2 | 0 | 0 | 0 | 111.1 | T936 Q937 I942 M943 D944 L997 L1079 I1082 | T936-L940 WeakPolarHBondContact O-CB 3.43Å; T936-L940 WeakPolarHBondContact O-CG 3.39Å; T936-L940 PolarHBondContact O-N 3.05Å; Q937-L940 PolarHBondContact O-N 2.8Å; Q937-L940 VanDerWaalsContact O-N 3.08Å; L940-I942 VanDerWaalsContact C-N 3.33Å; L940-I942 PolarHBondContact O-N 2.84Å; L940-M943 WeakPolarHBondContact O-CB 3.32Å; L940-M943 PolarHBondContact O-N 3.32Å; L940-M943 VanDerWaalsContact O-N 3.1Å; L940-D944 PolarHBondContact O-N 2.85Å; L940-D944 VanDerWaalsContact O-N 3.15Å; L940-L997 HydrophobicContact CD2-CD1 4.09Å; L940-L1079 HydrophobicContact CD1-CD1 4.42Å; L940-L1079 HydrophobicContact CD2-CD1 3.87Å; L940-I1082 HydrophobicContact CB-CD1 3.75Å; L940-I1082 HydrophobicContact CD2-CD1 3.57Å; L940-I1082 HydrophobicContact CD2-CG2 4.38Å; L940-I1082 HydrophobicContact CG-CD1 4.23Å; L940-I1082 WeakPolarHBondContact O-CD1 3.4Å |
| 941 | D | 69.8 | Low | 60.3 | Low | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.5 | -66 | -22.1 | 0 | 0 | 0 | 111 | K898 Q937 D938 M943 D944 G945 Q1078 | K898-D941 WeakPolarHBondContact CE-OD2 3.28Å; K898-D941 HydrophobicContact CG-CB 4.3Å; K898-D941 IonicContact NZ-OD2 3.65Å; K898-D941 PolarHBondContact NZ-OD2 2.93Å; Q937-D941 PolarHBondContact O-N 3.3Å; D938-D941 PolarHBondContact O-N 2.91Å; D941-M943 VanDerWaalsContact C-N 3.3Å; D941-M943 PolarHBondContact O-N 3.31Å; D941-D944 PolarHBondContact O-N 3.21Å; D941-G945 PolarHBondContact O-N 3.46Å; D941-Q1078 PolarHBondContact OD1-NE2 3.19Å |
| 942 | I | 70.6 | Confident | 57.9 | Low | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.4 | -67.7 | 164 | 0 | 0 | 0 | 111.5 | L894 L897 D938 M939 L940 D944 | L894-I942 HydrophobicContact CB-CD1 4.33Å; L894-I942 HydrophobicContact CD2-CD1 3.83Å; L897-I942 HydrophobicContact CB-CD1 4.06Å; L897-I942 HydrophobicContact CB-CG1 4.07Å; L897-I942 HydrophobicContact CD1-CD1 4.29Å; D938-I942 WeakPolarHBondContact O-CD1 3.4Å; D938-I942 VanDerWaalsContact O-CG1 3.22Å; D938-I942 WeakPolarHBondContact O-CG1 3.46Å; D938-I942 PolarHBondContact O-N 2.78Å; M939-I942 PolarHBondContact O-N 3.27Å; M939-I942 HydrophobicContact SD-CD1 4.29Å; L940-I942 VanDerWaalsContact C-N 3.33Å; L940-I942 PolarHBondContact O-N 2.84Å; I942-D944 VanDerWaalsContact C-N 3.34Å; I942-D944 PolarHBondContact O-N 3.34Å |
| 943 | M | 68.4 | Low | 55.7 | Low | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.3 | -30.3 | 179.9 | -73.5 | -178.5 | 73.8 | 0 | 0 | 113.2 | M939 L940 D941 T946 K990 I993 L994 I1082 L1086 | M939-M943 VanDerWaalsContact O-CG 3.29Å; M939-M943 WeakPolarHBondContact O-CG 3.48Å; M939-M943 PolarHBondContact O-N 3.11Å; L940-M943 WeakPolarHBondContact O-CB 3.32Å; L940-M943 PolarHBondContact O-N 3.32Å; L940-M943 VanDerWaalsContact O-N 3.1Å; D941-M943 VanDerWaalsContact C-N 3.3Å; D941-M943 PolarHBondContact O-N 3.31Å; M943-T946 PolarHBondContact O-OG1 2.89Å; M943-K990 HydrophobicContact CE-CB 4.32Å; M943-K990 HydrophobicContact CE-CG 4.26Å; M943-I993 HydrophobicContact CG-CD1 3.78Å; M943-I993 HydrophobicContact CG-CG2 4.3Å; M943-I993 HydrophobicContact SD-CB 3.98Å; M943-I993 HydrophobicContact SD-CD1 4.17Å; M943-I993 HydrophobicContact SD-CG2 3.38Å; M943-I993 WeakPolarHBondContact SD-CG2 3.41Å; M943-L994 HydrophobicContact CE-CD2 4.32Å; M943-I1082 HydrophobicContact CB-CG2 4.27Å; M943-I1082 HydrophobicContact CE-CG2 3.81Å; M943-I1082 HydrophobicContact SD-CG2 4.3Å; M943-L1086 HydrophobicContact CE-CD1 3.51Å; M943-L1086 HydrophobicContact CE-CD2 3.76Å; M943-L1086 HydrophobicContact CE-CG 4.13Å |
| 944 | D | 63.4 | Low | 53.7 | Low | 50 Ų | 50 | 67.5 Ų | 67.5 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.5 | -33.4 | -175.5 | -123.3 | -10.7 | 0 | 0 | 0 | 113.2 | L940 D941 I942 T946 R1085 | L940-D944 PolarHBondContact O-N 2.85Å; L940-D944 VanDerWaalsContact O-N 3.15Å; D941-D944 PolarHBondContact O-N 3.21Å; I942-D944 VanDerWaalsContact C-N 3.34Å; I942-D944 PolarHBondContact O-N 3.34Å; D944-T946 PolarHBondContact O-N 3.49Å; D944-R1085 PolarHBondContact O-NH1 2.96Å; D944-R1085 VanDerWaalsContact O-NH1 3.16Å; D944-R1085 IonicContact OD1-NH1 3.87Å; D944-R1085 PolarHBondContact OD1-NH1 2.78Å |
| 945 | G | 53.8 | Low | 51.3 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -70.5 | 17.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | D941 | D941-G945 PolarHBondContact O-N 3.46Š|
| 946 | T | 46.4 | Very low | 48.9 | Very low | 34 Ų | 34 | 75 Ų | 75 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | trans | -120 | 138 | -175.3 | 48.4 | 0 | 0 | 0 | 0 | 114 | M943 D944 K990 R1085 | M943-T946 PolarHBondContact O-OG1 2.89Å; D944-T946 PolarHBondContact O-N 3.49Å; T946-K990 PolarHBondContact OG1-NZ 2.9Å; T946-R1085 PolarHBondContact O-NH2 3.19Å; T946-R1085 VanDerWaalsContact O-NH2 3.13Å | ||
| 947 | F | 40.1 | Very low | 46.7 | Very low | 132 Ų | 132 | 84 Ų | 84 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | trans | 88.7 | 81.5 | -179.7 | -55.1 | -75.1 | 0 | 0 | 0 | 116.8 | ||||
| 948 | V | 27.6 | Very low | 44.4 | Very low | 128 Ų | 128 | 88.2 Ų | 88.2 | 78% | 0.776 | 52% | 0.521 | S | S | * | . | trans | -95.9 | 108.1 | 142.7 | 177.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 949 | T | 29.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 92.8 Ų | 92.8 | 68% | 0.681 | 55% | 0.552 | S | S | * | * | trans | -77.4 | 119.5 | 166.7 | 41.7 | 0 | 0 | 0 | 0 | 108.6 | S951 | T949-S951 PolarHBondContact O-N 3.37Å; T949-S951 PolarHBondContact O-OG 3.26Å | ||
| 950 | D | 29 | Very low | 39.8 | Very low | 167 Ų | 167 | 100 Ų | 100 | 89% | 0.893 | 59% | 0.59 | S | S | * | * | trans | 14.4 | 74.2 | 155.3 | -60.5 | -28 | 0 | 0 | 0 | 116.2 | A952 | D950-A952 PolarHBondContact O-N 3.25Š| ||
| 951 | S | 27.6 | Very low | 37.8 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | trans | -85.5 | 88.4 | 166.1 | -40.1 | 0 | 0 | 0 | 0 | 108.3 | T949 E953 | T949-S951 PolarHBondContact O-N 3.37Å; T949-S951 PolarHBondContact O-OG 3.26Å; S951-E953 PolarHBondContact O-N 3.46Å | ||
| 952 | A | 26.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 80% | 0.802 | 66% | 0.655 | S | S | * | * | trans | -65.1 | 87.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | D950 | D950-A952 PolarHBondContact O-N 3.25Š| ||
| 953 | E | 28 | Very low | 33.7 | Very low | 171 Ų | 171 | 121.3 Ų | 121.3 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | trans | -171.9 | 78.8 | 164.6 | -108.6 | 170.8 | -143.9 | 0 | 0 | 108.6 | S951 | S951-E953 PolarHBondContact O-N 3.46Š| ||
| 954 | N | 29.6 | Very low | 31.7 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 90% | 0.904 | 71% | 0.713 | S | S | * | * | trans | -148.6 | 107.7 | 151.4 | -93.5 | -29.6 | 0 | 0 | 0 | 106.9 | ||||
| 955 | G | 25.7 | Very low | 30.2 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -62.4 | 155.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 956 | D | 26 | Very low | 29.1 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 55.3 | 74.6 | 154.6 | -66.5 | -11.2 | 0 | 0 | 0 | 117.2 | ||||
| 957 | Q | 27.2 | Very low | 28.4 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -160.9 | 86.5 | 137.6 | -104.9 | 158.1 | 69 | 0 | 0 | 107.8 | P959 | Q957-P959 WeakPolarHBondContact O-CD 3.2Š| ||
| 958 | T | 23.3 | Very low | 28 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -78.2 | 108.6 | 168.8 | 46.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 959 | P | 27.3 | Very low | 28.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -88.9 | 114.3 | 160.1 | 24.2 | -5.9 | 0 | 0 | 0 | 107.7 | Q957 I961 | Q957-P959 WeakPolarHBondContact O-CD 3.2Å; P959-I961 PolarHBondContact O-N 3.23Å | ||
| 960 | N | 25.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -46.7 | 108 | 166.8 | -91.8 | -26.1 | 0 | 0 | 0 | 111.5 | ||||
| 961 | I | 28.9 | Very low | 28.8 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | -135.6 | 90.3 | 158.7 | -56.2 | -179.9 | 0 | 0 | 0 | 108 | P959 F963 | P959-I961 PolarHBondContact O-N 3.23Å; I961-F963 VanDerWaalsContact C-N 3.26Å; I961-F963 PolarHBondContact O-N 3.16Å | ||
| 962 | E | 25.5 | Very low | 29.1 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -83.9 | 27.4 | -173.4 | -129.6 | 178.5 | -177.6 | 0 | 0 | 113.8 | ||||
| 963 | F | 27.4 | Very low | 29.5 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 53.3 | -169.7 | -134.7 | -91.9 | 0 | 0 | 0 | 114.2 | I961 | I961-F963 VanDerWaalsContact C-N 3.26Å; I961-F963 PolarHBondContact O-N 3.16Å | ||
| 964 | T | 27.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | trans | -160 | 18.8 | 165.4 | 18.9 | 0 | 0 | 0 | 0 | 115.4 | M966 | T964-M966 PolarHBondContact O-N 2.88Š| ||
| 965 | S | 31.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -19.1 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 966 | M | 30.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 89% | 0.892 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -6.8 | -175.4 | -163.3 | 154.8 | 164 | 0 | 0 | 115.3 | T964 | T964-M966 PolarHBondContact O-N 2.88Š|
| 967 | L | 32.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 130 Ų | 130 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -109.3 | -3.7 | -178.1 | -135.7 | 85.7 | 0 | 0 | 0 | 115.1 | ||
| 968 | M | 30.3 | Very low | 34 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89.7 | -17.4 | -174.3 | -74.8 | -71.3 | 159.5 | 0 | 0 | 114.4 | Q970 K971 Q972 | M968-Q970 PolarHBondContact O-N 3.36Å; M968-K971 PolarHBondContact O-N 3.33Å; M968-Q972 PolarHBondContact O-N 3.12Å |
| 969 | S | 36.9 | Very low | 35.5 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.6 | -22.1 | -177.9 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 970 | Q | 32.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -92.3 | -21 | 173.4 | -78.7 | -176.6 | -10.5 | 0 | 0 | 113.6 | M968 | M968-Q970 PolarHBondContact O-N 3.36Å |
| 971 | K | 35.7 | Very low | 38.4 | Very low | 123 Ų | 123 | 122 Ų | 122 | 54% | 0.535 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -85.4 | -20.7 | 179.6 | -80.7 | -170.9 | 174.1 | -174.3 | 0 | 114.5 | M968 A973 D974 V975 | M968-K971 PolarHBondContact O-N 3.33Å; K971-A973 VanDerWaalsContact C-N 3.33Å; K971-A973 PolarHBondContact O-N 3Å; K971-D974 PolarHBondContact O-N 2.72Å; K971-V975 VanDerWaalsContact O-CB 3.29Å; K971-V975 WeakPolarHBondContact O-CB 3.48Å; K971-V975 WeakPolarHBondContact O-CG2 3.28Å; K971-V975 PolarHBondContact O-N 3.09Å |
| 972 | Q | 32.9 | Very low | 40.2 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -32.1 | 178.4 | -87.8 | -178.1 | -15.4 | 0 | 0 | 113.8 | M968 H976 | M968-Q972 PolarHBondContact O-N 3.12Å; Q972-H976 WeakPolarHBondContact O-CB 3.48Å; Q972-H976 PolarHBondContact O-N 3.31Å |
| 973 | A | 35.4 | Very low | 42.3 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.5 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K971 H976 L977 | K971-A973 VanDerWaalsContact C-N 3.33Å; K971-A973 PolarHBondContact O-N 3Å; A973-H976 PolarHBondContact O-N 3.39Å; A973-L977 PolarHBondContact O-N 3.45Å |
| 974 | D | 36.7 | Very low | 44.4 | Very low | 108 Ų | 108 | 112.6 Ų | 112.6 | 58% | 0.578 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.8 | -39.8 | 175.9 | -79.8 | -20.9 | 0 | 0 | 0 | 111.7 | K971 H976 L977 E978 | K971-D974 PolarHBondContact O-N 2.72Å; D974-H976 VanDerWaalsContact C-N 3.3Å; D974-H976 PolarHBondContact O-N 3.5Å; D974-L977 PolarHBondContact O-N 3.34Å; D974-E978 WeakPolarHBondContact O-CB 3.42Å; D974-E978 WeakPolarHBondContact O-CG 3.25Å; D974-E978 PolarHBondContact O-N 3.45Å |
| 975 | V | 49 | Very low | 46.5 | Very low | 59 Ų | 59 | 109.3 Ų | 109.3 | 36% | 0.358 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -39.4 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | K971 E978 Q979 | K971-V975 VanDerWaalsContact O-CB 3.29Å; K971-V975 WeakPolarHBondContact O-CB 3.48Å; K971-V975 WeakPolarHBondContact O-CG2 3.28Å; K971-V975 PolarHBondContact O-N 3.09Å; V975-E978 PolarHBondContact O-N 2.89Å; V975-Q979 HydrophobicContact CG1-CG 4.3Å; V975-Q979 VanDerWaalsContact O-CB 3.29Å; V975-Q979 WeakPolarHBondContact O-CB 3.42Å; V975-Q979 WeakPolarHBondContact O-CG 3.4Å; V975-Q979 PolarHBondContact O-N 2.85Å |
| 976 | H | 47.8 | Very low | 48.5 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73 | -32.4 | -179.2 | -146.6 | -55.4 | 0 | 0 | 0 | 112.9 | Q972 A973 D974 Q980 | Q972-H976 WeakPolarHBondContact O-CB 3.48Å; Q972-H976 PolarHBondContact O-N 3.31Å; A973-H976 PolarHBondContact O-N 3.39Å; D974-H976 VanDerWaalsContact C-N 3.3Å; D974-H976 PolarHBondContact O-N 3.5Å; H976-Q980 PolarHBondContact O-N 3.26Å |
| 977 | L | 47.5 | Very low | 50.8 | Low | 110 Ų | 110 | 98.1 Ų | 98.1 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.1 | -45.6 | 170.4 | -104.3 | 98.8 | 0 | 0 | 0 | 111.5 | A973 D974 Q979 Q980 E981 | A973-L977 PolarHBondContact O-N 3.45Å; D974-L977 PolarHBondContact O-N 3.34Å; L977-Q979 VanDerWaalsContact C-N 3.31Å; L977-Q979 PolarHBondContact O-N 2.95Å; L977-Q980 PolarHBondContact O-N 3.45Å; L977-Q980 VanDerWaalsContact O-N 3.15Å; L977-E981 PolarHBondContact O-N 3.4Å; L977-E981 VanDerWaalsContact O-N 3.08Å |
| 978 | E | 49.7 | Very low | 52.8 | Low | 103 Ų | 103 | 96.9 Ų | 96.9 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 176.4 | -77.3 | -173.4 | 155.9 | 0 | 0 | 111.5 | D974 V975 Q980 E981 C982 | D974-E978 WeakPolarHBondContact O-CB 3.42Å; D974-E978 WeakPolarHBondContact O-CG 3.25Å; D974-E978 PolarHBondContact O-N 3.45Å; V975-E978 PolarHBondContact O-N 2.89Å; E978-Q980 PolarHBondContact O-N 2.87Å; E978-E981 PolarHBondContact O-N 2.93Å; E978-C982 WeakPolarHBondContact O-CB 3.36Å; E978-C982 PolarHBondContact O-N 3.42Å; E978-C982 PolarHBondContact O-SG 3.47Å |
| 979 | Q | 56 | Low | 55.1 | Low | 112 Ų | 112 | 92.2 Ų | 92.2 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 174.4 | -79.6 | 175.9 | -3.4 | 0 | 0 | 112.7 | V975 L977 R983 | V975-Q979 HydrophobicContact CG1-CG 4.3Å; V975-Q979 VanDerWaalsContact O-CB 3.29Å; V975-Q979 WeakPolarHBondContact O-CB 3.42Å; V975-Q979 WeakPolarHBondContact O-CG 3.4Å; V975-Q979 PolarHBondContact O-N 2.85Å; L977-Q979 VanDerWaalsContact C-N 3.31Å; L977-Q979 PolarHBondContact O-N 2.95Å; Q979-R983 WeakPolarHBondContact O-CB 3.45Å; Q979-R983 PolarHBondContact O-N 3.25Å |
| 980 | Q | 56.3 | Low | 57.3 | Low | 112 Ų | 112 | 88.5 Ų | 88.5 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 176 | -78.5 | -173.6 | -2.8 | 0 | 0 | 112.4 | H976 L977 E978 R983 K984 | H976-Q980 PolarHBondContact O-N 3.26Å; L977-Q980 PolarHBondContact O-N 3.45Å; L977-Q980 VanDerWaalsContact O-N 3.15Å; E978-Q980 PolarHBondContact O-N 2.87Å; Q980-R983 PolarHBondContact O-N 2.91Å; Q980-K984 WeakPolarHBondContact O-CG 3.49Å; Q980-K984 PolarHBondContact O-N 2.91Å |
| 981 | E | 57.8 | Low | 59.7 | Low | 92 Ų | 92 | 82 Ų | 82 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 175.4 | -69.2 | -172.4 | 157.8 | 0 | 0 | 111.6 | K905 L977 E978 R983 K984 V985 | K905-E981 WeakPolarHBondContact CE-OE2 3.33Å; K905-E981 IonicContact NZ-OE2 2.74Å; K905-E981 PolarHBondContact NZ-OE2 2.87Å; L977-E981 PolarHBondContact O-N 3.4Å; L977-E981 VanDerWaalsContact O-N 3.08Å; E978-E981 PolarHBondContact O-N 2.93Å; E981-R983 VanDerWaalsContact C-N 3.27Å; E981-R983 PolarHBondContact O-N 3.08Å; E981-K984 PolarHBondContact O-N 2.92Å; E981-K984 VanDerWaalsContact O-N 3.15Å; E981-V985 WeakPolarHBondContact O-CG2 3.33Å; E981-V985 PolarHBondContact O-N 3.36Å |
| 982 | C | 66.1 | Low | 61.9 | Low | 22 Ų | 22 | 76.7 Ų | 76.7 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -53.2 | -46 | 170.5 | -75 | 0 | 0 | 0 | 0 | 111.4 | K905 E978 K984 V985 V986 | K905-C982 WeakPolarHBondContact CA-SG 3.49Å; K905-C982 WeakPolarHBondContact CB-SG 3.25Å; E978-C982 WeakPolarHBondContact O-CB 3.36Å; E978-C982 PolarHBondContact O-N 3.42Å; E978-C982 PolarHBondContact O-SG 3.47Å; C982-K984 PolarHBondContact O-N 3.29Å; C982-V985 PolarHBondContact O-N 2.85Å; C982-V986 VanDerWaalsContact O-CG2 3.31Å; C982-V986 WeakPolarHBondContact O-CG2 3.31Å; C982-V986 PolarHBondContact O-N 3.42Å |
| 983 | R | 69.8 | Low | 64.3 | Low | 163 Ų | 163 | 70.1 Ų | 70.1 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 178.9 | -168.8 | 174.1 | -178.8 | 175.2 | 0.3 | 112.2 | Q979 Q980 E981 V986 L987 | Q979-R983 WeakPolarHBondContact O-CB 3.45Å; Q979-R983 PolarHBondContact O-N 3.25Å; Q980-R983 PolarHBondContact O-N 2.91Å; E981-R983 VanDerWaalsContact C-N 3.27Å; E981-R983 PolarHBondContact O-N 3.08Å; R983-V986 PolarHBondContact O-N 3.44Å; R983-L987 HydrophobicContact CG-CD1 4.21Å; R983-L987 WeakPolarHBondContact O-CB 3.07Å; R983-L987 WeakPolarHBondContact O-CG 3.42Å; R983-L987 PolarHBondContact O-N 3.3Å |
| 984 | K | 70.2 | Confident | 66.6 | Low | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 176 | -74.6 | 177.6 | -178 | 175.2 | 0 | 112.2 | Q980 E981 C982 L987 Q988 | Q980-K984 WeakPolarHBondContact O-CG 3.49Å; Q980-K984 PolarHBondContact O-N 2.91Å; E981-K984 PolarHBondContact O-N 2.92Å; E981-K984 VanDerWaalsContact O-N 3.15Å; C982-K984 PolarHBondContact O-N 3.29Å; K984-L987 PolarHBondContact O-N 3.03Å; K984-Q988 WeakPolarHBondContact O-CG 3.16Å; K984-Q988 PolarHBondContact O-N 3.44Å |
| 985 | V | 71.6 | Confident | 68.7 | Low | 22 Ų | 22 | 64.9 Ų | 64.9 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | N908 V909 L912 E981 C982 L987 Q988 A989 | N908-V985 HydrophobicContact CB-CG1 3.95Å; N908-V985 WeakPolarHBondContact O-CG1 3.39Å; V909-V985 HydrophobicContact CG2-CG1 4.28Å; V909-V985 HydrophobicContact CG2-CG2 4.24Å; L912-V985 HydrophobicContact CB-CG1 4.15Å; L912-V985 HydrophobicContact CD2-CG1 4.04Å; E981-V985 WeakPolarHBondContact O-CG2 3.33Å; E981-V985 PolarHBondContact O-N 3.36Å; C982-V985 PolarHBondContact O-N 2.85Å; V985-L987 PolarHBondContact O-N 3.33Å; V985-Q988 PolarHBondContact O-N 2.9Å; V985-A989 PolarHBondContact O-N 3.47Å |
| 986 | V | 74.4 | Confident | 70.3 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.218 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | C982 R983 Q988 A989 K990 | C982-V986 VanDerWaalsContact O-CG2 3.31Å; C982-V986 WeakPolarHBondContact O-CG2 3.31Å; C982-V986 PolarHBondContact O-N 3.42Å; R983-V986 PolarHBondContact O-N 3.44Å; V986-Q988 VanDerWaalsContact C-N 3.34Å; V986-Q988 PolarHBondContact O-N 3.15Å; V986-A989 PolarHBondContact O-N 3.12Å; V986-K990 WeakPolarHBondContact O-CG 3.15Å; V986-K990 PolarHBondContact O-N 2.99Å |
| 987 | L | 77.2 | Confident | 71.9 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 176.7 | -71.2 | 168.7 | 0 | 0 | 0 | 112.3 | R983 K984 V985 K990 L991 Y1091 L1094 | R983-L987 HydrophobicContact CG-CD1 4.21Å; R983-L987 WeakPolarHBondContact O-CB 3.07Å; R983-L987 WeakPolarHBondContact O-CG 3.42Å; R983-L987 PolarHBondContact O-N 3.3Å; K984-L987 PolarHBondContact O-N 3.03Å; V985-L987 PolarHBondContact O-N 3.33Å; L987-K990 PolarHBondContact O-N 3.5Å; L987-L991 PolarHBondContact O-N 3.36Å; L987-L991 VanDerWaalsContact O-N 3.16Å; L987-Y1091 HydrophobicContact CB-CD1 4.25Å; L987-Y1091 HydrophobicContact CB-CE1 4.18Å; L987-Y1091 HydrophobicContact CD1-CD1 4.28Å; L987-Y1091 HydrophobicContact CD1-CD2 4.46Å; L987-Y1091 HydrophobicContact CD1-CG 4.19Å; L987-Y1091 HydrophobicContact CD2-CD1 4.13Å; L987-Y1091 HydrophobicContact CD2-CG 4.47Å; L987-Y1091 HydrophobicContact CG-CD1 4.46Å; L987-L1094 HydrophobicContact CD2-CD2 4.1Å |
| 988 | Q | 76.5 | Confident | 73.7 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 173.2 | -76.2 | 179.7 | -15.3 | 0 | 0 | 111.6 | L912 K984 V985 V986 K990 L991 V992 | L912-Q988 HydrophobicContact CD1-CB 4.25Å; L912-Q988 HydrophobicContact CD2-CB 4.33Å; K984-Q988 WeakPolarHBondContact O-CG 3.16Å; K984-Q988 PolarHBondContact O-N 3.44Å; V985-Q988 PolarHBondContact O-N 2.9Å; V986-Q988 VanDerWaalsContact C-N 3.34Å; V986-Q988 PolarHBondContact O-N 3.15Å; Q988-K990 VanDerWaalsContact C-N 3.29Å; Q988-K990 PolarHBondContact O-N 3.36Å; Q988-L991 WeakPolarHBondContact O-CB 3.19Å; Q988-L991 PolarHBondContact O-N 3.42Å; Q988-L991 VanDerWaalsContact O-N 3.11Å; Q988-V992 WeakPolarHBondContact O-CG2 3.45Å; Q988-V992 PolarHBondContact O-N 2.83Å; Q988-V992 VanDerWaalsContact O-N 3.09Å |
| 989 | A | 78.2 | Confident | 75.3 | Confident | 14 Ų | 14 | 50 Ų | 50 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L912 V985 V986 L991 V992 I993 | L912-A989 HydrophobicContact CD1-CB 3.97Å; V985-A989 PolarHBondContact O-N 3.47Å; V986-A989 PolarHBondContact O-N 3.12Å; A989-L991 VanDerWaalsContact C-N 3.33Å; A989-L991 PolarHBondContact O-N 3.48Å; A989-V992 PolarHBondContact O-N 3.38Å; A989-I993 WeakPolarHBondContact O-CG1 3.37Å; A989-I993 PolarHBondContact O-N 3.17Å |
| 990 | K | 82.8 | Confident | 76.4 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.109 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 174.9 | -70.5 | -176.6 | -178.1 | -162.9 | 0 | 112.5 | M943 T946 V986 L987 Q988 I993 L994 L1086 L1094 | M943-K990 HydrophobicContact CE-CB 4.32Å; M943-K990 HydrophobicContact CE-CG 4.26Å; T946-K990 PolarHBondContact OG1-NZ 2.9Å; V986-K990 WeakPolarHBondContact O-CG 3.15Å; V986-K990 PolarHBondContact O-N 2.99Å; L987-K990 PolarHBondContact O-N 3.5Å; Q988-K990 VanDerWaalsContact C-N 3.29Å; Q988-K990 PolarHBondContact O-N 3.36Å; K990-I993 PolarHBondContact O-N 2.84Å; K990-L994 WeakPolarHBondContact O-CG 3.44Å; K990-L994 PolarHBondContact O-N 3.19Å; K990-L1086 HydrophobicContact CD-CD2 4.17Å; K990-L1094 HydrophobicContact CB-CD1 3.9Å |
| 991 | L | 82.4 | Confident | 77.6 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.3 | -70.8 | 173.6 | 0 | 0 | 0 | 112.6 | L987 Q988 A989 I993 L994 D995 Y1091 P1093 L1094 | L987-L991 PolarHBondContact O-N 3.36Å; L987-L991 VanDerWaalsContact O-N 3.16Å; Q988-L991 WeakPolarHBondContact O-CB 3.19Å; Q988-L991 PolarHBondContact O-N 3.42Å; Q988-L991 VanDerWaalsContact O-N 3.11Å; A989-L991 VanDerWaalsContact C-N 3.33Å; A989-L991 PolarHBondContact O-N 3.48Å; L991-I993 VanDerWaalsContact C-N 3.28Å; L991-I993 PolarHBondContact O-N 2.98Å; L991-L994 WeakPolarHBondContact O-CB 3.46Å; L991-L994 PolarHBondContact O-N 3.43Å; L991-L994 VanDerWaalsContact O-N 3.17Å; L991-D995 PolarHBondContact O-N 3.43Å; L991-Y1091 HydrophobicContact CD1-CE1 4Å; L991-P1093 HydrophobicContact CD1-CB 4.03Å; L991-P1093 HydrophobicContact CD2-CB 4.09Å; L991-P1093 WeakPolarHBondContact CD2-O 3.39Å; L991-L1094 HydrophobicContact CD2-CB 4.32Å; L991-L1094 HydrophobicContact CD2-CD1 3.98Å; L991-L1094 HydrophobicContact CG-CD1 4.4Å |
| 992 | V | 82.5 | Confident | 78.8 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -35.5 | 177.7 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | L912 V915 R919 Q988 A989 D995 I996 | L912-V992 HydrophobicContact CD1-CG2 4.3Å; V915-V992 HydrophobicContact CG1-CB 3.83Å; V915-V992 HydrophobicContact CG1-CG1 3.6Å; R919-V992 HydrophobicContact CB-CG1 3.83Å; R919-V992 HydrophobicContact CG-CG1 4.33Å; Q988-V992 WeakPolarHBondContact O-CG2 3.45Å; Q988-V992 PolarHBondContact O-N 2.83Å; Q988-V992 VanDerWaalsContact O-N 3.09Å; A989-V992 PolarHBondContact O-N 3.38Å; V992-D995 WeakPolarHBondContact O-CB 3.36Å; V992-D995 PolarHBondContact O-N 3Å; V992-I996 WeakPolarHBondContact O-CG1 3.45Å; V992-I996 PolarHBondContact O-N 3.47Å |
| 993 | I | 82.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 172.6 | -64.3 | 168 | 0 | 0 | 0 | 111.1 | V915 M939 M943 A989 K990 L991 D995 I996 L997 | V915-I993 HydrophobicContact CG1-CG1 3.92Å; M939-I993 HydrophobicContact CB-CD1 4.45Å; M939-I993 HydrophobicContact CB-CG1 4.37Å; M939-I993 HydrophobicContact CB-CG2 3.75Å; M939-I993 HydrophobicContact CG-CG1 4.49Å; M939-I993 HydrophobicContact CG-CG2 4.48Å; M939-I993 HydrophobicContact SD-CD1 4.08Å; M939-I993 HydrophobicContact SD-CG1 3.89Å; M943-I993 HydrophobicContact CG-CD1 3.78Å; M943-I993 HydrophobicContact CG-CG2 4.3Å; M943-I993 HydrophobicContact SD-CB 3.98Å; M943-I993 HydrophobicContact SD-CD1 4.17Å; M943-I993 HydrophobicContact SD-CG2 3.38Å; M943-I993 WeakPolarHBondContact SD-CG2 3.41Å; A989-I993 WeakPolarHBondContact O-CG1 3.37Å; A989-I993 PolarHBondContact O-N 3.17Å; K990-I993 PolarHBondContact O-N 2.84Å; L991-I993 VanDerWaalsContact C-N 3.28Å; L991-I993 PolarHBondContact O-N 2.98Å; I993-D995 VanDerWaalsContact C-N 3.28Å; I993-D995 PolarHBondContact O-N 3.39Å; I993-I996 WeakPolarHBondContact O-CB 3.36Å; I993-I996 PolarHBondContact O-N 2.94Å; I993-I996 VanDerWaalsContact O-N 3.11Å; I993-L997 HydrophobicContact CG2-CD1 4.42Å; I993-L997 PolarHBondContact O-N 3.27Å |
| 994 | L | 83.5 | Confident | 80 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 174.7 | -66.6 | -172.3 | 0 | 0 | 0 | 112.1 | M943 K990 L991 I996 L997 K998 L1086 L1094 I1101 | M943-L994 HydrophobicContact CE-CD2 4.32Å; K990-L994 WeakPolarHBondContact O-CG 3.44Å; K990-L994 PolarHBondContact O-N 3.19Å; L991-L994 WeakPolarHBondContact O-CB 3.46Å; L991-L994 PolarHBondContact O-N 3.43Å; L991-L994 VanDerWaalsContact O-N 3.17Å; L994-I996 VanDerWaalsContact C-N 3.33Å; L994-I996 PolarHBondContact O-N 3.34Å; L994-L997 HydrophobicContact CD2-CD1 3.97Å; L994-L997 PolarHBondContact O-N 3.23Å; L994-K998 WeakPolarHBondContact O-CG 3.49Å; L994-K998 PolarHBondContact O-N 2.8Å; L994-L1086 HydrophobicContact CD1-CD1 4.3Å; L994-L1086 HydrophobicContact CD2-CD1 3.82Å; L994-L1086 HydrophobicContact CG-CD1 4.48Å; L994-L1094 HydrophobicContact CD1-CD1 3.75Å; L994-I1101 HydrophobicContact CB-CD1 3.8Å; L994-I1101 HydrophobicContact CD1-CD1 4.47Å; L994-I1101 HydrophobicContact CD2-CD1 3.73Å; L994-I1101 HydrophobicContact CG-CD1 4.18Å |
| 995 | D | 81.5 | Confident | 80.6 | Confident | 62 Ų | 62 | 25.3 Ų | 25.3 | 33% | 0.332 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 173.4 | -71.7 | -18.9 | 0 | 0 | 0 | 111.9 | R919 L991 V992 I993 K998 Y999 | R919-D995 IonicContact NH1-OD2 3.32Å; R919-D995 PolarHBondContact NH1-OD2 3.32Å; L991-D995 PolarHBondContact O-N 3.43Å; V992-D995 WeakPolarHBondContact O-CB 3.36Å; V992-D995 PolarHBondContact O-N 3Å; I993-D995 VanDerWaalsContact C-N 3.28Å; I993-D995 PolarHBondContact O-N 3.39Å; D995-K998 PolarHBondContact O-N 3.07Å; D995-Y999 PolarHBondContact O-N 2.97Å |
| 996 | I | 83 | Confident | 81.1 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.7 | -64.6 | 168.3 | 0 | 0 | 0 | 110.2 | V915 A918 R919 V922 L932 T936 M939 V992 I993 L994 Y999 A1000 | V915-I996 HydrophobicContact CG1-CD1 4.41Å; A918-I996 HydrophobicContact CB-CD1 4.4Å; R919-I996 HydrophobicContact CB-CD1 4.06Å; R919-I996 HydrophobicContact CB-CG1 3.94Å; R919-I996 HydrophobicContact CG-CG1 4.27Å; V922-I996 HydrophobicContact CG1-CG2 4.46Å; V922-I996 HydrophobicContact CG2-CG2 4.32Å; L932-I996 HydrophobicContact CD1-CG2 4.33Å; T936-I996 HydrophobicContact CG2-CG2 4.17Å; M939-I996 HydrophobicContact CE-CD1 4.2Å; V992-I996 WeakPolarHBondContact O-CG1 3.45Å; V992-I996 PolarHBondContact O-N 3.47Å; I993-I996 WeakPolarHBondContact O-CB 3.36Å; I993-I996 PolarHBondContact O-N 2.94Å; I993-I996 VanDerWaalsContact O-N 3.11Å; L994-I996 VanDerWaalsContact C-N 3.33Å; L994-I996 PolarHBondContact O-N 3.34Å; I996-Y999 PolarHBondContact O-N 2.98Å; I996-A1000 WeakPolarHBondContact O-CB 3.48Å; I996-A1000 PolarHBondContact O-N 3.39Å |
| 997 | L | 81.6 | Confident | 81.5 | Confident | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.8 | -68.7 | 173 | 0 | 0 | 0 | 112 | T936 L940 I993 L994 Y999 A1000 L1001 L1079 I1101 | T936-L997 HydrophobicContact CG2-CD2 3.79Å; L940-L997 HydrophobicContact CD2-CD1 4.09Å; I993-L997 HydrophobicContact CG2-CD1 4.42Å; I993-L997 PolarHBondContact O-N 3.27Å; L994-L997 HydrophobicContact CD2-CD1 3.97Å; L994-L997 PolarHBondContact O-N 3.23Å; L997-Y999 VanDerWaalsContact C-N 3.31Å; L997-Y999 PolarHBondContact O-N 3.39Å; L997-A1000 PolarHBondContact O-N 3.38Å; L997-L1001 WeakPolarHBondContact O-CG 3.34Å; L997-L1001 PolarHBondContact O-N 3.32Å; L997-L1079 HydrophobicContact CD1-CD1 4.38Å; L997-I1101 HydrophobicContact CB-CD1 4.37Å |
| 998 | K | 84.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 22.5 Ų | 22.5 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 174.3 | -71.4 | -176.5 | -169.8 | -161.4 | 0 | 111.8 | L994 D995 N1002 D1100 I1101 | L994-K998 WeakPolarHBondContact O-CG 3.49Å; L994-K998 PolarHBondContact O-N 2.8Å; D995-K998 PolarHBondContact O-N 3.07Å; K998-N1002 PolarHBondContact O-N 2.68Å; K998-N1002 PolarHBondContact O-ND2 2.91Å; K998-D1100 VanDerWaalsContact CE-OD2 3.26Å; K998-D1100 WeakPolarHBondContact CE-OD2 3.32Å; K998-D1100 IonicContact NZ-OD2 2.79Å; K998-D1100 PolarHBondContact NZ-OD2 2.73Å; K998-I1101 HydrophobicContact CD-CG1 4.36Å; K998-I1101 HydrophobicContact CG-CD1 3.86Å; K998-I1101 HydrophobicContact CG-CG1 3.64Å |
| 999 | Y | 83.5 | Confident | 82.1 | Confident | 24 Ų | 24 | 18 Ų | 18 | 9% | 0.094 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 175.3 | -175.1 | -88.6 | 0 | 0 | 0 | 111.5 | P843 V922 K923 L932 D995 I996 L997 L1001 N1002 V1003 | P843-Y999 HydrophobicContact CB-CD2 4.06Å; P843-Y999 HydrophobicContact CB-CE2 3.74Å; P843-Y999 HydrophobicContact CG-CD2 4.26Å; P843-Y999 HydrophobicContact CG-CE2 4.14Å; V922-Y999 HydrophobicContact CG1-CD1 3.17Å; V922-Y999 HydrophobicContact CG1-CE1 3.47Å; V922-Y999 VanDerWaalsContact CG1-CE1 3.47Å; V922-Y999 HydrophobicContact CG1-CG 3.9Å; V922-Y999 VanDerWaalsContact O-CE1 3.3Å; V922-Y999 WeakPolarHBondContact O-CE1 3.42Å; V922-Y999 VanDerWaalsContact O-CZ 3.32Å; V922-Y999 PolarHBondContact O-OH 2.7Å; V922-Y999 VanDerWaalsContact O-OH 3.12Å; K923-Y999 HydrophobicContact CG-CD2 4.44Å; L932-Y999 HydrophobicContact CD2-CD1 4.25Å; D995-Y999 PolarHBondContact O-N 2.97Å; I996-Y999 PolarHBondContact O-N 2.98Å; L997-Y999 VanDerWaalsContact C-N 3.31Å; L997-Y999 PolarHBondContact O-N 3.39Å; Y999-L1001 PolarHBondContact O-N 2.84Å; Y999-N1002 WeakPolarHBondContact O-CB 3.47Å; Y999-N1002 PolarHBondContact O-N 3.26Å; Y999-N1002 VanDerWaalsContact O-N 3.11Å; Y999-V1003 HydrophobicContact CD1-CG2 3.83Å; Y999-V1003 HydrophobicContact CE1-CG2 3.48Å; Y999-V1003 VanDerWaalsContact CE1-CG2 3.48Å; Y999-V1003 WeakPolarHBondContact O-CG2 3.38Å; Y999-V1003 PolarHBondContact O-N 2.96Å |
| 1000 | A | 79.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L932 T936 I996 L997 N1002 V1003 R1004 | L932-A1000 HydrophobicContact CD2-CB 3.73Å; L932-A1000 HydrophobicContact CG-CB 3.97Å; T936-A1000 HydrophobicContact CG2-CB 3.93Å; I996-A1000 WeakPolarHBondContact O-CB 3.48Å; I996-A1000 PolarHBondContact O-N 3.39Å; L997-A1000 PolarHBondContact O-N 3.38Å; A1000-N1002 VanDerWaalsContact C-N 3.3Å; A1000-N1002 PolarHBondContact O-N 3.34Å; A1000-V1003 PolarHBondContact O-N 3.36Å; A1000-R1004 WeakPolarHBondContact O-CB 3.28Å; A1000-R1004 PolarHBondContact O-N 3.49Å |
| 1001 | L | 80.4 | Confident | 82.1 | Confident | 21 Ų | 21 | 16.8 Ų | 16.8 | 11% | 0.11 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.2 | -39.4 | 172.9 | -72.2 | 176.4 | 0 | 0 | 0 | 112.1 | L997 Y999 R1004 L1005 I1101 | L997-L1001 WeakPolarHBondContact O-CG 3.34Å; L997-L1001 PolarHBondContact O-N 3.32Å; Y999-L1001 PolarHBondContact O-N 2.84Å; L1001-R1004 PolarHBondContact O-N 3.36Å; L1001-L1005 PolarHBondContact O-N 3.46Å; L1001-I1101 HydrophobicContact CD1-CG2 4.09Å |
| 1002 | N | 84 | Confident | 82.1 | Confident | 43 Ų | 43 | 15.2 Ų | 15.2 | 23% | 0.23 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 176.9 | -69.6 | -21 | 0 | 0 | 0 | 112.4 | P843 V844 K998 Y999 A1000 R1004 L1005 D1006 R1104 | P843-N1002 HydrophobicContact CB-CB 3.66Å; P843-N1002 HydrophobicContact CG-CB 3.78Å; V844-N1002 HydrophobicContact CG2-CB 4.02Å; V844-N1002 WeakPolarHBondContact CG2-O 3.36Å; K998-N1002 PolarHBondContact O-N 2.68Å; K998-N1002 PolarHBondContact O-ND2 2.91Å; Y999-N1002 WeakPolarHBondContact O-CB 3.47Å; Y999-N1002 PolarHBondContact O-N 3.26Å; Y999-N1002 VanDerWaalsContact O-N 3.11Å; A1000-N1002 VanDerWaalsContact C-N 3.3Å; A1000-N1002 PolarHBondContact O-N 3.34Å; N1002-R1004 VanDerWaalsContact C-N 3.26Å; N1002-R1004 PolarHBondContact O-N 3.26Å; N1002-L1005 WeakPolarHBondContact O-CB 3.44Å; N1002-L1005 PolarHBondContact O-N 3.39Å; N1002-D1006 PolarHBondContact O-N 3.23Å; N1002-R1104 PolarHBondContact OD1-NH1 2.69Å; N1002-R1104 PolarHBondContact OD1-NH2 2.86Å |
| 1003 | V | 80 | Confident | 82.1 | Confident | 6 Ų | 6 | 14.7 Ų | 14.7 | 4% | 0.036 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 175 | 178 | 0 | 0 | 0 | 0 | 110.9 | P843 Y862 L929 L932 Y999 A1000 D1006 Y1007 | P843-V1003 HydrophobicContact CB-CG2 4.12Å; Y862-V1003 HydrophobicContact CE1-CG1 4.23Å; L929-V1003 HydrophobicContact CD1-CG1 4.22Å; L932-V1003 HydrophobicContact CD2-CB 4.4Å; L932-V1003 HydrophobicContact CD2-CG2 4.31Å; Y999-V1003 HydrophobicContact CD1-CG2 3.83Å; Y999-V1003 HydrophobicContact CE1-CG2 3.48Å; Y999-V1003 VanDerWaalsContact CE1-CG2 3.48Å; Y999-V1003 WeakPolarHBondContact O-CG2 3.38Å; Y999-V1003 PolarHBondContact O-N 2.96Å; A1000-V1003 PolarHBondContact O-N 3.36Å; V1003-D1006 PolarHBondContact O-N 3.19Å; V1003-Y1007 PolarHBondContact O-N 3.02Å |
| 1004 | R | 79.6 | Confident | 82 | Confident | 28 Ų | 28 | 14.5 Ų | 14.5 | 11% | 0.106 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 174.5 | -174.1 | 179.4 | 176.9 | 111.7 | -8.4 | 112.5 | A1000 L1001 N1002 D1006 Y1007 R1008 L1069 | A1000-R1004 WeakPolarHBondContact O-CB 3.28Å; A1000-R1004 PolarHBondContact O-N 3.49Å; L1001-R1004 PolarHBondContact O-N 3.36Å; N1002-R1004 VanDerWaalsContact C-N 3.26Å; N1002-R1004 PolarHBondContact O-N 3.26Å; R1004-D1006 VanDerWaalsContact C-N 3.31Å; R1004-Y1007 PolarHBondContact O-N 3.17Å; R1004-R1008 WeakPolarHBondContact O-CG 3.31Å; R1004-R1008 PolarHBondContact O-N 2.98Å; R1004-L1069 PolarHBondContact NH2-O 3.38Å |
| 1005 | L | 82.7 | Confident | 81.7 | Confident | 14 Ų | 14 | 16.5 Ų | 16.5 | 7% | 0.073 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 172.8 | 179.3 | 141.1 | 0 | 0 | 0 | 110.8 | V844 L1001 N1002 R1008 I1009 E1111 A1115 | V844-L1005 HydrophobicContact CB-CD2 4.33Å; V844-L1005 HydrophobicContact CG1-CD2 3.66Å; V844-L1005 HydrophobicContact CG2-CD2 3.63Å; L1001-L1005 PolarHBondContact O-N 3.46Å; N1002-L1005 WeakPolarHBondContact O-CB 3.44Å; N1002-L1005 PolarHBondContact O-N 3.39Å; L1005-R1008 PolarHBondContact O-N 3.27Å; L1005-I1009 HydrophobicContact CD2-CD1 3.59Å; L1005-I1009 HydrophobicContact CD2-CG1 4.44Å; L1005-I1009 HydrophobicContact CG-CD1 4.43Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.43Å; L1005-I1009 PolarHBondContact O-N 3.36Å; L1005-E1111 HydrophobicContact CD1-CB 3.64Å; L1005-A1115 HydrophobicContact CD1-CB 4.44Å; L1005-A1115 HydrophobicContact CD2-CB 3.82Å; L1005-A1115 HydrophobicContact CG-CB 4.48Å |
| 1006 | D | 82.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 176 | -159.6 | 71.6 | 0 | 0 | 0 | 113.2 | P843 V844 R845 R848 Y862 N1002 V1003 R1004 R1008 I1009 T1010 | P843-D1006 VanDerWaalsContact O-CB 3.26Å; P843-D1006 WeakPolarHBondContact O-CB 3.46Å; V844-D1006 VanDerWaalsContact CA-OD1 3.3Å; V844-D1006 WeakPolarHBondContact CA-OD1 3.49Å; V844-D1006 HydrophobicContact CG2-CB 4.39Å; R845-D1006 PolarHBondContact N-OD1 3.45Å; R848-D1006 IonicContact CZ-OD1 2.85Å; R848-D1006 IonicContact CZ-OD2 3.41Å; R848-D1006 IonicContact NH2-OD1 2.79Å; R848-D1006 PolarHBondContact NH2-OD1 2.89Å; R848-D1006 IonicContact NH2-OD2 3.53Å; R848-D1006 PolarHBondContact NH2-OD2 3.4Å; Y862-D1006 PolarHBondContact OH-OD2 3.39Å; N1002-D1006 PolarHBondContact O-N 3.23Å; V1003-D1006 PolarHBondContact O-N 3.19Å; R1004-D1006 VanDerWaalsContact C-N 3.31Å; D1006-R1008 VanDerWaalsContact C-N 3.34Å; D1006-R1008 PolarHBondContact O-N 2.93Å; D1006-I1009 PolarHBondContact O-N 2.95Å; D1006-T1010 WeakPolarHBondContact O-CB 3.26Å; D1006-T1010 PolarHBondContact O-N 3.37Å; D1006-T1010 PolarHBondContact O-OG1 3.5Å |
| 1007 | Y | 82 | Confident | 81.3 | Confident | 15 Ų | 15 | 14.2 Ų | 14.2 | 6% | 0.059 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 169.8 | 165.6 | -102.5 | 0 | 0 | 0 | 111.1 | I859 Y862 L929 V1003 R1004 I1009 T1010 T1011 | I859-Y1007 HydrophobicContact CD1-CE1 4.06Å; I859-Y1007 HydrophobicContact CG1-CE1 3.74Å; I859-Y1007 HydrophobicContact CG1-CE2 3.85Å; I859-Y1007 WeakPolarHBondContact CG1-OH 3.37Å; Y862-Y1007 HydrophobicContact CD1-CD2 4.28Å; Y862-Y1007 AromaticContact CD2-CD2 3.68Å; Y862-Y1007 HydrophobicContact CD2-CD2 3.68Å; Y862-Y1007 HydrophobicContact CE2-CD2 4.18Å; Y862-Y1007 AromaticContact CG-CD2 3.71Å; Y862-Y1007 HydrophobicContact CG-CD2 3.71Å; Y862-Y1007 HydrophobicContact CG-CG 4.46Å; Y862-Y1007 PolarHBondContact OH-N 3.45Å; L929-Y1007 HydrophobicContact CD2-CD1 4.35Å; L929-Y1007 HydrophobicContact CD2-CD2 4.24Å; L929-Y1007 HydrophobicContact CD2-CG 3.89Å; V1003-Y1007 PolarHBondContact O-N 3.02Å; R1004-Y1007 PolarHBondContact O-N 3.17Å; Y1007-I1009 PolarHBondContact O-N 3.18Å; Y1007-T1010 PolarHBondContact O-N 2.95Å; Y1007-T1010 VanDerWaalsContact O-N 3.16Å; Y1007-T1011 WeakPolarHBondContact CE2-OG1 3.4Å; Y1007-T1011 VanDerWaalsContact CZ-OG1 3.24Å; Y1007-T1011 PolarHBondContact O-N 2.95Å; Y1007-T1011 PolarHBondContact O-OG1 3.39Å |
| 1008 | R | 83.5 | Confident | 81 | Confident | 15 Ų | 15 | 18.3 Ų | 18.3 | 6% | 0.057 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 179.1 | -72.4 | 172.5 | 178.2 | 165.6 | -4 | 112.6 | R1004 L1005 D1006 T1010 T1011 V1012 I1046 L1112 | R1004-R1008 WeakPolarHBondContact O-CG 3.31Å; R1004-R1008 PolarHBondContact O-N 2.98Å; L1005-R1008 PolarHBondContact O-N 3.27Å; D1006-R1008 VanDerWaalsContact C-N 3.34Å; D1006-R1008 PolarHBondContact O-N 2.93Å; R1008-T1010 VanDerWaalsContact C-N 3.29Å; R1008-T1010 PolarHBondContact O-N 3.18Å; R1008-T1011 PolarHBondContact O-N 3.45Å; R1008-V1012 VanDerWaalsContact O-CG2 3.29Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.41Å; R1008-V1012 PolarHBondContact O-N 3.42Å; R1008-I1046 HydrophobicContact CB-CG2 4.25Å; R1008-I1046 HydrophobicContact CG-CG2 4.13Å; R1008-L1112 HydrophobicContact CB-CD1 3.94Å; R1008-L1112 HydrophobicContact CB-CD2 4.49Å |
| 1009 | I | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 172.5 | -67.5 | 166.6 | 0 | 0 | 0 | 109.8 | V844 L1005 D1006 Y1007 V1012 L1013 L1112 A1115 L1116 V1119 | V844-I1009 HydrophobicContact CG1-CD1 3.9Å; L1005-I1009 HydrophobicContact CD2-CD1 3.59Å; L1005-I1009 HydrophobicContact CD2-CG1 4.44Å; L1005-I1009 HydrophobicContact CG-CD1 4.43Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.43Å; L1005-I1009 PolarHBondContact O-N 3.36Å; D1006-I1009 PolarHBondContact O-N 2.95Å; Y1007-I1009 PolarHBondContact O-N 3.18Å; I1009-V1012 PolarHBondContact O-N 3.1Å; I1009-L1013 HydrophobicContact CG2-CD1 3.91Å; I1009-L1013 HydrophobicContact CG2-CG 4.42Å; I1009-L1013 VanDerWaalsContact O-CG 3.3Å; I1009-L1013 WeakPolarHBondContact O-CG 3.5Å; I1009-L1013 PolarHBondContact O-N 3.41Å; I1009-L1112 HydrophobicContact CG1-CD1 3.86Å; I1009-A1115 HydrophobicContact CD1-CB 3.73Å; I1009-A1115 HydrophobicContact CG1-CB 4.42Å; I1009-L1116 HydrophobicContact CG1-CD2 4.45Å; I1009-L1116 HydrophobicContact CG2-CD2 4.28Å; I1009-V1119 HydrophobicContact CG2-CG2 3.97Å |
| 1010 | T | 81.8 | Confident | 79.5 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | -179.5 | -51.3 | 0 | 0 | 0 | 0 | 111 | R848 P854 T857 Y862 D1006 Y1007 R1008 V1012 L1013 S1014 | R848-T1010 PolarHBondContact NH1-OG1 3.38Å; R848-T1010 PolarHBondContact NH2-OG1 2.84Å; P854-T1010 HydrophobicContact CG-CG2 4.33Å; T857-T1010 HydrophobicContact CG2-CG2 3.96Å; Y862-T1010 HydrophobicContact CE2-CG2 4.27Å; Y862-T1010 PolarHBondContact OH-OG1 3.03Å; D1006-T1010 WeakPolarHBondContact O-CB 3.26Å; D1006-T1010 PolarHBondContact O-N 3.37Å; D1006-T1010 PolarHBondContact O-OG1 3.5Å; Y1007-T1010 PolarHBondContact O-N 2.95Å; Y1007-T1010 VanDerWaalsContact O-N 3.16Å; R1008-T1010 VanDerWaalsContact C-N 3.29Å; R1008-T1010 PolarHBondContact O-N 3.18Å; T1010-V1012 PolarHBondContact O-N 3.12Å; T1010-L1013 PolarHBondContact O-N 3.31Å; T1010-S1014 WeakPolarHBondContact O-CB 3.43Å; T1010-S1014 PolarHBondContact O-N 3.18Å; T1010-S1014 PolarHBondContact O-OG 3.34Å; T1010-S1014 VanDerWaalsContact O-OG 3.06Å |
| 1011 | T | 80.7 | Confident | 78.7 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 175 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | T857 Y1007 R1008 S1014 L1015 | T857-T1011 PolarHBondContact OG1-OG1 3.17Å; Y1007-T1011 WeakPolarHBondContact CE2-OG1 3.4Å; Y1007-T1011 VanDerWaalsContact CZ-OG1 3.24Å; Y1007-T1011 PolarHBondContact O-N 2.95Å; Y1007-T1011 PolarHBondContact O-OG1 3.39Å; R1008-T1011 PolarHBondContact O-N 3.45Å; T1011-S1014 PolarHBondContact O-N 2.81Å; T1011-L1015 HydrophobicContact CG2-CD1 4.05Å; T1011-L1015 HydrophobicContact CG2-CG 4.49Å; T1011-L1015 WeakPolarHBondContact O-CB 3.35Å; T1011-L1015 VanDerWaalsContact O-CG 3.24Å; T1011-L1015 WeakPolarHBondContact O-CG 3.44Å; T1011-L1015 PolarHBondContact O-N 3.29Å |
| 1012 | V | 81.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | R1008 I1009 T1010 S1014 L1015 I1016 I1046 L1116 L1645 | R1008-V1012 VanDerWaalsContact O-CG2 3.29Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.41Å; R1008-V1012 PolarHBondContact O-N 3.42Å; I1009-V1012 PolarHBondContact O-N 3.1Å; T1010-V1012 PolarHBondContact O-N 3.12Å; V1012-S1014 PolarHBondContact O-N 3.39Å; V1012-L1015 PolarHBondContact O-N 3.1Å; V1012-I1016 HydrophobicContact CG1-CD1 3.71Å; V1012-I1016 HydrophobicContact CG1-CG1 4.45Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.28Å; V1012-I1016 PolarHBondContact O-N 3.02Å; V1012-I1046 HydrophobicContact CG2-CD1 3.4Å; V1012-I1046 HydrophobicContact CG2-CG1 3.79Å; V1012-L1116 HydrophobicContact CB-CD2 4.43Å; V1012-L1116 HydrophobicContact CG1-CD1 4.34Å; V1012-L1116 HydrophobicContact CG1-CD2 4.08Å; V1012-L1645 HydrophobicContact CG1-CD1 4.45Å |
| 1013 | L | 82.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.1 | -69.1 | 174.1 | 0 | 0 | 0 | 112.8 | R848 I853 I1009 T1010 I1016 K1017 F1638 | R848-L1013 HydrophobicContact CB-CD1 4.4Å; R848-L1013 HydrophobicContact CG-CD1 3.94Å; I853-L1013 HydrophobicContact CD1-CB 4.14Å; I853-L1013 HydrophobicContact CD1-CD1 4.16Å; I853-L1013 HydrophobicContact CG2-CB 3.91Å; I1009-L1013 HydrophobicContact CG2-CD1 3.91Å; I1009-L1013 HydrophobicContact CG2-CG 4.42Å; I1009-L1013 VanDerWaalsContact O-CG 3.3Å; I1009-L1013 WeakPolarHBondContact O-CG 3.5Å; I1009-L1013 PolarHBondContact O-N 3.41Å; T1010-L1013 PolarHBondContact O-N 3.31Å; L1013-I1016 PolarHBondContact O-N 2.93Å; L1013-K1017 WeakPolarHBondContact O-CB 3.39Å; L1013-K1017 PolarHBondContact O-N 3.36Å; L1013-F1638 HydrophobicContact CD2-CD2 4Å; L1013-F1638 HydrophobicContact CD2-CE2 3.51Å; L1013-F1638 HydrophobicContact CD2-CZ 4.23Å |
| 1014 | S | 80.9 | Confident | 74.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.3 | -69.4 | 0 | 0 | 0 | 0 | 112 | P854 T857 T1010 T1011 V1012 K1017 K1018 | P854-S1014 WeakPolarHBondContact O-CA 3.21Å; P854-S1014 WeakPolarHBondContact O-CB 3.08Å; P854-S1014 PolarHBondContact O-OG 2.91Å; T857-S1014 VanDerWaalsContact CG2-OG 3.31Å; T857-S1014 WeakPolarHBondContact CG2-OG 3.27Å; T1010-S1014 WeakPolarHBondContact O-CB 3.43Å; T1010-S1014 PolarHBondContact O-N 3.18Å; T1010-S1014 PolarHBondContact O-OG 3.34Å; T1010-S1014 VanDerWaalsContact O-OG 3.06Å; T1011-S1014 PolarHBondContact O-N 2.81Å; V1012-S1014 PolarHBondContact O-N 3.39Å; S1014-K1017 PolarHBondContact O-N 3.21Å; S1014-K1018 VanDerWaalsContact O-CB 3.3Å; S1014-K1018 WeakPolarHBondContact O-CB 3.32Å; S1014-K1018 PolarHBondContact O-N 2.96Å |
| 1015 | L | 77.3 | Confident | 72.9 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.4 | -70.6 | 171.1 | 0 | 0 | 0 | 111.3 | T1011 V1012 K1018 E1019 L1042 | T1011-L1015 HydrophobicContact CG2-CD1 4.05Å; T1011-L1015 HydrophobicContact CG2-CG 4.49Å; T1011-L1015 WeakPolarHBondContact O-CB 3.35Å; T1011-L1015 VanDerWaalsContact O-CG 3.24Å; T1011-L1015 WeakPolarHBondContact O-CG 3.44Å; T1011-L1015 PolarHBondContact O-N 3.29Å; V1012-L1015 PolarHBondContact O-N 3.1Å; L1015-K1018 PolarHBondContact O-N 3.16Å; L1015-E1019 WeakPolarHBondContact O-CB 3.21Å; L1015-E1019 WeakPolarHBondContact O-CG 3.3Å; L1015-E1019 PolarHBondContact O-N 3.36Å; L1015-L1042 HydrophobicContact CB-CD1 3.97Å; L1015-L1042 HydrophobicContact CB-CG 4.32Å; L1015-L1042 HydrophobicContact CD1-CG 4.13Å |
| 1016 | I | 77.3 | Confident | 70.7 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.2 | -65.8 | 168.2 | 0 | 0 | 0 | 110.6 | W850 V1012 L1013 E1019 Y1020 L1042 F1638 I1641 | W850-I1016 HydrophobicContact CH2-CG2 4.15Å; V1012-I1016 HydrophobicContact CG1-CD1 3.71Å; V1012-I1016 HydrophobicContact CG1-CG1 4.45Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.28Å; V1012-I1016 PolarHBondContact O-N 3.02Å; L1013-I1016 PolarHBondContact O-N 2.93Å; I1016-E1019 PolarHBondContact O-N 2.68Å; I1016-Y1020 HydrophobicContact CG2-CD2 4.1Å; I1016-Y1020 WeakPolarHBondContact O-CB 3.29Å; I1016-Y1020 WeakPolarHBondContact O-CD2 3.42Å; I1016-Y1020 PolarHBondContact O-N 2.82Å; I1016-L1042 HydrophobicContact CG1-CD1 4.18Å; I1016-F1638 HydrophobicContact CD1-CD2 3.92Å; I1016-F1638 HydrophobicContact CD1-CE2 4.27Å; I1016-I1641 HydrophobicContact CD1-CD1 4.3Å; I1016-I1641 HydrophobicContact CD1-CG2 4.09Å; I1016-I1641 HydrophobicContact CG1-CD1 4.24Å; I1016-I1641 HydrophobicContact CG2-CD1 4.13Å |
| 1017 | K | 78.6 | Confident | 68.7 | Low | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 178 | -173.6 | 176 | 176.8 | 173.1 | 0 | 111.9 | W850 K851 I853 L855 L1013 S1014 A1021 | W850-K1017 HydrophobicContact CH2-CB 3.9Å; W850-K1017 HydrophobicContact CH2-CG 4.32Å; W850-K1017 HydrophobicContact CZ2-CB 3.93Å; W850-K1017 HydrophobicContact CZ2-CG 3.85Å; W850-K1017 HydrophobicContact CZ3-CB 4.48Å; W850-K1017 PolarHBondContact O-NZ 3.1Å; K851-K1017 PolarHBondContact O-NZ 3.32Å; I853-K1017 HydrophobicContact CB-CD 4.19Å; I853-K1017 HydrophobicContact CG2-CD 4.32Å; I853-K1017 WeakPolarHBondContact O-CD 3.38Å; I853-K1017 PolarHBondContact O-NZ 3Å; L855-K1017 HydrophobicContact CD2-CD 4.11Å; L855-K1017 HydrophobicContact CD2-CG 3.87Å; L1013-K1017 WeakPolarHBondContact O-CB 3.39Å; L1013-K1017 PolarHBondContact O-N 3.36Å; S1014-K1017 PolarHBondContact O-N 3.21Å; K1017-A1021 CarbonylContact O-C 3.57Å; K1017-A1021 PolarHBondContact O-N 3.36Å |
| 1018 | K | 75.3 | Confident | 66.7 | Low | 93 Ų | 93 | 54.7 Ų | 54.7 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 179.3 | -178.4 | 172.4 | 179.2 | 168.2 | 0 | 112.8 | E856 S1014 L1015 | E856-K1018 IonicContact OE1-NZ 3.51Å; E856-K1018 PolarHBondContact OE1-NZ 3.18Å; S1014-K1018 VanDerWaalsContact O-CB 3.3Å; S1014-K1018 WeakPolarHBondContact O-CB 3.32Å; S1014-K1018 PolarHBondContact O-N 2.96Å; L1015-K1018 PolarHBondContact O-N 3.16Å |
| 1019 | E | 68.7 | Low | 64.7 | Low | 115 Ų | 115 | 59.6 Ų | 59.6 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.9 | -38.1 | -176.3 | -69.7 | -69.4 | 150.1 | 0 | 0 | 112.9 | L1015 I1016 | L1015-E1019 WeakPolarHBondContact O-CB 3.21Å; L1015-E1019 WeakPolarHBondContact O-CG 3.3Å; L1015-E1019 PolarHBondContact O-N 3.36Å; I1016-E1019 PolarHBondContact O-N 2.68Å |
| 1020 | Y | 66.9 | Low | 62.7 | Low | 45 Ų | 45 | 66.2 Ų | 66.2 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -110.4 | -19.5 | -167.5 | -65.2 | -78.6 | 0 | 0 | 0 | 114.9 | I1016 F1031 L1034 I1641 | I1016-Y1020 HydrophobicContact CG2-CD2 4.1Å; I1016-Y1020 WeakPolarHBondContact O-CB 3.29Å; I1016-Y1020 WeakPolarHBondContact O-CD2 3.42Å; I1016-Y1020 PolarHBondContact O-N 2.82Å; Y1020-F1031 HydrophobicContact CD1-CD1 4.05Å; Y1020-F1031 HydrophobicContact CG-CD1 4.46Å; Y1020-F1031 VanDerWaalsContact O-CE1 3.3Å; Y1020-F1031 WeakPolarHBondContact O-CE1 3.18Å; Y1020-L1034 HydrophobicContact CE1-CG 4.29Å; Y1020-I1641 HydrophobicContact CD2-CD1 4.39Å; Y1020-I1641 HydrophobicContact CE2-CD1 3.97Å |
| 1021 | A | 64.3 | Low | 61 | Low | 23 Ų | 23 | 68.4 Ų | 68.4 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -157.3 | 78.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W850 K1017 | W850-A1021 HydrophobicContact CZ2-CB 4.14Å; K1017-A1021 CarbonylContact O-C 3.57Å; K1017-A1021 PolarHBondContact O-N 3.36Å | ||
| 1022 | P | 51.9 | Low | 59.5 | Low | 83 Ų | 83 | 74.8 Ų | 74.8 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | trans | -73.9 | -32.5 | 179.6 | 27.6 | -32.8 | 0 | 0 | 0 | 113.9 | ||||
| 1023 | D | 51.6 | Low | 58.1 | Low | 119 Ų | 119 | 81.8 Ų | 81.8 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -101.4 | 120 | -176.1 | -76.1 | -32.5 | 0 | 0 | 0 | 112.6 | A1025 C1026 | D1023-A1025 PolarHBondContact O-N 3.15Å; D1023-A1025 VanDerWaalsContact O-N 3.13Å; D1023-C1026 HydrophobicContact CB-CB 4.36Å | ||
| 1024 | D | 52 | Low | 56.9 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 57% | 0.572 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.8 | 177.3 | -87.8 | -11.9 | 0 | 0 | 0 | 113.9 | ||
| 1025 | A | 46.3 | Very low | 56.2 | Low | 94 Ų | 94 | 87.2 Ų | 87.2 | 78% | 0.777 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -2.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1023 D1027 | D1023-A1025 PolarHBondContact O-N 3.15Å; D1023-A1025 VanDerWaalsContact O-N 3.13Å; A1025-D1027 PolarHBondContact O-N 3.04Å |
| 1026 | C | 37.1 | Very low | 55.6 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -85.1 | 112.2 | -177.8 | -146.6 | 0 | 0 | 0 | 0 | 110.2 | D1023 M1028 | D1023-C1026 HydrophobicContact CB-CB 4.36Å; C1026-M1028 PolarHBondContact O-N 3.35Å |
| 1027 | D | 40.1 | Very low | 55.2 | Low | 145 Ų | 145 | 95.8 Ų | 95.8 | 78% | 0.775 | 51% | 0.513 | S | S | * | . | trans | -47.6 | 104.1 | 171.6 | -80.9 | -38.7 | 0 | 0 | 0 | 110.7 | A1025 L1029 | A1025-D1027 PolarHBondContact O-N 3.04Å; D1027-L1029 WeakPolarHBondContact O-CG 3.19Å; D1027-L1029 PolarHBondContact O-N 2.83Å | ||
| 1028 | M | 40.5 | Very low | 54.7 | Low | 156 Ų | 156 | 99.8 Ų | 99.8 | 77% | 0.768 | 53% | 0.531 | S | S | * | . | trans | 31 | 45.1 | 152 | -58.3 | -75.6 | -93.9 | 0 | 0 | 115.9 | C1026 F1030 N1632 | C1026-M1028 PolarHBondContact O-N 3.35Å; M1028-F1030 PolarHBondContact O-N 2.93Å; M1028-N1632 WeakPolarHBondContact CE-O 3.29Å | ||
| 1029 | L | 40 | Very low | 54.3 | Low | 118 Ų | 118 | 95.5 Ų | 95.5 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | trans | -81.5 | 115.9 | 178.8 | -82 | 172.8 | 0 | 0 | 0 | 108.1 | D1027 F1031 | D1027-L1029 WeakPolarHBondContact O-CG 3.19Å; D1027-L1029 PolarHBondContact O-N 2.83Å; L1029-F1031 PolarHBondContact O-N 3.24Å | ||
| 1030 | F | 41.9 | Very low | 54.2 | Low | 139 Ų | 139 | 92.6 Ų | 92.6 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | trans | -1.5 | 107 | 160.2 | -50.4 | -84.5 | 0 | 0 | 0 | 115 | M1028 D1032 | M1028-F1030 PolarHBondContact O-N 2.93Å; F1030-D1032 PolarHBondContact O-N 3.46Å; F1030-D1032 VanDerWaalsContact O-N 3.08Å | ||
| 1031 | F | 47.2 | Very low | 54.4 | Low | 50 Ų | 50 | 96.6 Ų | 96.6 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | trans | -67.9 | 103.6 | 167.6 | -66.5 | -81.9 | 0 | 0 | 0 | 108.4 | Y1020 L1029 Y1631 V1634 | Y1020-F1031 HydrophobicContact CD1-CD1 4.05Å; Y1020-F1031 HydrophobicContact CG-CD1 4.46Å; Y1020-F1031 VanDerWaalsContact O-CE1 3.3Å; Y1020-F1031 WeakPolarHBondContact O-CE1 3.18Å; L1029-F1031 PolarHBondContact O-N 3.24Å; F1031-Y1631 WeakPolarHBondContact CD2-O 3.44Å; F1031-V1634 HydrophobicContact CZ-CG2 4.03Å | ||
| 1032 | D | 47.8 | Very low | 54.6 | Low | 144 Ų | 144 | 96.4 Ų | 96.4 | 77% | 0.77 | 52% | 0.52 | S | S | * | . | trans | -58.1 | 152.1 | 168.8 | -81.3 | -31.5 | 0 | 0 | 0 | 110.8 | F1030 L1034 | F1030-D1032 PolarHBondContact O-N 3.46Å; F1030-D1032 VanDerWaalsContact O-N 3.08Å; D1032-L1034 PolarHBondContact O-N 3.21Å | ||
| 1033 | D | 52.9 | Low | 55.3 | Low | 147 Ų | 147 | 92.9 Ų | 92.9 | 79% | 0.786 | 50% | 0.498 | S | S | * | . | trans | -33.3 | 123.6 | -170.9 | -73.9 | -39.5 | 0 | 0 | 0 | 115 | D1035 | D1033-D1035 PolarHBondContact O-N 3.35Š| ||
| 1034 | L | 56.5 | Low | 56.1 | Low | 33 Ų | 33 | 90.7 Ų | 90.7 | 17% | 0.173 | 49% | 0.486 | C | S | . | . | trans | -63.6 | 100.3 | 169.8 | -90.1 | 97.1 | 0 | 0 | 0 | 110 | Y1020 D1032 D1036 I1039 Y1631 I1641 | Y1020-L1034 HydrophobicContact CE1-CG 4.29Å; D1032-L1034 PolarHBondContact O-N 3.21Å; L1034-D1036 PolarHBondContact O-N 2.87Å; L1034-I1039 HydrophobicContact CD2-CD1 3.99Å; L1034-Y1631 HydrophobicContact CD1-CD2 3.94Å; L1034-Y1631 HydrophobicContact CD1-CE2 3.53Å; L1034-I1641 HydrophobicContact CD2-CD1 4.08Å; L1034-I1641 HydrophobicContact CD2-CG1 3.41Å; L1034-I1641 VanDerWaalsContact CD2-CG1 3.41Å | ||
| 1035 | D | 66.4 | Low | 56.9 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | trans | -69.3 | 119.6 | 173.3 | -81.7 | -38.7 | 0 | 0 | 0 | 111.8 | D1033 L1037 K1038 I1039 | D1033-D1035 PolarHBondContact O-N 3.35Å; D1035-L1037 PolarHBondContact O-N 2.82Å; D1035-L1037 VanDerWaalsContact O-N 3.11Å; D1035-K1038 HydrophobicContact CB-CB 4.3Å; D1035-K1038 HydrophobicContact CB-CD 4.03Å; D1035-K1038 HydrophobicContact CB-CG 3.91Å; D1035-K1038 PolarHBondContact O-N 3.2Å; D1035-K1038 WeakPolarHBondContact OD2-CE 3.48Å; D1035-K1038 IonicContact OD2-NZ 4Å; D1035-I1039 PolarHBondContact O-N 3.41Å | ||
| 1036 | D | 63.5 | Low | 57.9 | Low | 95 Ų | 95 | 83.5 Ų | 83.5 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.6 | -29.6 | 174.3 | -76.6 | -31.1 | 0 | 0 | 0 | 112.5 | L1034 I1039 T1040 R1644 | L1034-D1036 PolarHBondContact O-N 2.87Å; D1036-I1039 PolarHBondContact O-N 3Å; D1036-T1040 WeakPolarHBondContact O-CB 3.32Å; D1036-T1040 PolarHBondContact O-N 3.07Å; D1036-T1040 PolarHBondContact O-OG1 2.87Å; D1036-R1644 IonicContact OD1-NH1 2.76Å; D1036-R1644 PolarHBondContact OD1-NH1 3.3Å |
| 1037 | L | 70.3 | Confident | 59.4 | Low | 129 Ų | 129 | 79.9 Ų | 79.9 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 175.5 | -173.5 | 70.1 | 0 | 0 | 0 | 111.8 | D1035 T1040 M1041 | D1035-L1037 PolarHBondContact O-N 2.82Å; D1035-L1037 VanDerWaalsContact O-N 3.11Å; L1037-T1040 PolarHBondContact O-N 3.32Å; L1037-M1041 WeakPolarHBondContact O-CG 3.27Å; L1037-M1041 PolarHBondContact O-N 3.29Å |
| 1038 | K | 67.3 | Low | 60.3 | Low | 98 Ų | 98 | 77.3 Ų | 77.3 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 179.7 | -66.4 | 179.6 | -171.2 | 165.4 | 0 | 111.1 | D1035 T1040 M1041 L1042 | D1035-K1038 HydrophobicContact CB-CB 4.3Å; D1035-K1038 HydrophobicContact CB-CD 4.03Å; D1035-K1038 HydrophobicContact CB-CG 3.91Å; D1035-K1038 PolarHBondContact O-N 3.2Å; D1035-K1038 WeakPolarHBondContact OD2-CE 3.48Å; D1035-K1038 IonicContact OD2-NZ 4Å; K1038-T1040 VanDerWaalsContact C-N 3.31Å; K1038-T1040 PolarHBondContact O-N 3.3Å; K1038-M1041 PolarHBondContact O-N 2.94Å; K1038-L1042 WeakPolarHBondContact O-CB 3.38Å; K1038-L1042 PolarHBondContact O-N 3.36Å |
| 1039 | I | 67.3 | Low | 60.6 | Low | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.8 | -54.9 | 177.9 | 0 | 0 | 0 | 110.4 | L1034 D1035 D1036 L1042 A1043 R1644 L1645 L1648 | L1034-I1039 HydrophobicContact CD2-CD1 3.99Å; D1035-I1039 PolarHBondContact O-N 3.41Å; D1036-I1039 PolarHBondContact O-N 3Å; I1039-L1042 WeakPolarHBondContact O-CB 3.35Å; I1039-L1042 PolarHBondContact O-N 3.2Å; I1039-A1043 WeakPolarHBondContact O-CB 3.46Å; I1039-A1043 PolarHBondContact O-N 3.36Å; I1039-R1644 HydrophobicContact CD1-CB 3.96Å; I1039-R1644 HydrophobicContact CD1-CG 4.14Å; I1039-R1644 HydrophobicContact CG2-CB 4.38Å; I1039-L1645 HydrophobicContact CG2-CD2 3.82Å; I1039-L1645 HydrophobicContact CG2-CG 4.15Å; I1039-L1648 HydrophobicContact CB-CD1 4.31Å; I1039-L1648 HydrophobicContact CG2-CD1 3.61Å |
| 1040 | T | 67.5 | Low | 60.8 | Low | 54 Ų | 54 | 75.3 Ų | 75.3 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 112 | D1036 L1037 K1038 A1043 N1044 | D1036-T1040 WeakPolarHBondContact O-CB 3.32Å; D1036-T1040 PolarHBondContact O-N 3.07Å; D1036-T1040 PolarHBondContact O-OG1 2.87Å; L1037-T1040 PolarHBondContact O-N 3.32Å; K1038-T1040 VanDerWaalsContact C-N 3.31Å; K1038-T1040 PolarHBondContact O-N 3.3Å; T1040-A1043 PolarHBondContact O-N 3.22Å; T1040-N1044 PolarHBondContact O-N 2.88Å; T1040-N1044 PolarHBondContact O-ND2 3.27Å |
| 1041 | M | 69.4 | Low | 60.6 | Low | 128 Ų | 128 | 71.8 Ų | 71.8 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 172.6 | -73.9 | -176.7 | 61.4 | 0 | 0 | 112.2 | L1037 K1038 N1044 S1045 | L1037-M1041 WeakPolarHBondContact O-CG 3.27Å; L1037-M1041 PolarHBondContact O-N 3.29Å; K1038-M1041 PolarHBondContact O-N 2.94Å; M1041-N1044 PolarHBondContact O-N 3.17Å; M1041-S1045 WeakPolarHBondContact O-CB 3.43Å; M1041-S1045 PolarHBondContact O-N 3Å |
| 1042 | L | 70.1 | Confident | 59.9 | Low | 19 Ų | 19 | 81.1 Ų | 81.1 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.5 | -172.6 | 153.3 | 0 | 0 | 0 | 110.6 | L1015 I1016 K1038 I1039 N1044 S1045 I1046 L1645 | L1015-L1042 HydrophobicContact CB-CD1 3.97Å; L1015-L1042 HydrophobicContact CB-CG 4.32Å; L1015-L1042 HydrophobicContact CD1-CG 4.13Å; I1016-L1042 HydrophobicContact CG1-CD1 4.18Å; K1038-L1042 WeakPolarHBondContact O-CB 3.38Å; K1038-L1042 PolarHBondContact O-N 3.36Å; I1039-L1042 WeakPolarHBondContact O-CB 3.35Å; I1039-L1042 PolarHBondContact O-N 3.2Å; L1042-N1044 VanDerWaalsContact C-N 3.33Å; L1042-N1044 PolarHBondContact O-N 3.37Å; L1042-S1045 WeakPolarHBondContact O-CB 2.93Å; L1042-S1045 PolarHBondContact O-N 3.49Å; L1042-S1045 VanDerWaalsContact O-N 3.14Å; L1042-I1046 HydrophobicContact CD2-CD1 3.76Å; L1042-I1046 HydrophobicContact CD2-CG1 4.43Å; L1042-I1046 WeakPolarHBondContact O-CG1 2.81Å; L1042-I1046 PolarHBondContact O-N 2.92Å; L1042-L1645 HydrophobicContact CD2-CD1 4.21Å; L1042-L1645 HydrophobicContact CD2-CD2 4.13Å |
| 1043 | A | 66.2 | Low | 59 | Low | 9 Ų | 9 | 77.5 Ų | 77.5 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1039 T1040 L1645 F1649 | I1039-A1043 WeakPolarHBondContact O-CB 3.46Å; I1039-A1043 PolarHBondContact O-N 3.36Å; T1040-A1043 PolarHBondContact O-N 3.22Å; A1043-L1645 HydrophobicContact CB-CD2 4Å; A1043-F1649 HydrophobicContact CB-CE1 3.71Å; A1043-F1649 HydrophobicContact CB-CZ 3.86Å |
| 1044 | N | 68.1 | Low | 57.9 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 176.3 | -79.4 | -36.3 | 0 | 0 | 0 | 112.7 | T1040 M1041 L1042 I1046 N1048 | T1040-N1044 PolarHBondContact O-N 2.88Å; T1040-N1044 PolarHBondContact O-ND2 3.27Å; M1041-N1044 PolarHBondContact O-N 3.17Å; L1042-N1044 VanDerWaalsContact C-N 3.33Å; L1042-N1044 PolarHBondContact O-N 3.37Å; N1044-I1046 VanDerWaalsContact C-N 3.35Å; N1044-I1046 PolarHBondContact O-N 2.95Å; N1044-N1048 VanDerWaalsContact O-CB 3.26Å; N1044-N1048 WeakPolarHBondContact O-CB 3.39Å; N1044-N1048 PolarHBondContact O-N 3.42Å |
| 1045 | S | 68.1 | Low | 56.8 | Low | 43 Ų | 43 | 79.4 Ų | 79.4 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | M1041 L1042 F1047 T1049 | M1041-S1045 WeakPolarHBondContact O-CB 3.43Å; M1041-S1045 PolarHBondContact O-N 3Å; L1042-S1045 WeakPolarHBondContact O-CB 2.93Å; L1042-S1045 PolarHBondContact O-N 3.49Å; L1042-S1045 VanDerWaalsContact O-N 3.14Å; S1045-F1047 PolarHBondContact O-N 2.91Å; S1045-T1049 WeakPolarHBondContact O-CG2 3.42Å |
| 1046 | I | 68.3 | Low | 55.2 | Low | 7 Ų | 7 | 83.1 Ų | 83.1 | 4% | 0.036 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.6 | -32.4 | -175.3 | -64.2 | 156.7 | 0 | 0 | 0 | 112.2 | R1008 V1012 L1042 N1044 L1112 F1649 | R1008-I1046 HydrophobicContact CB-CG2 4.25Å; R1008-I1046 HydrophobicContact CG-CG2 4.13Å; V1012-I1046 HydrophobicContact CG2-CD1 3.4Å; V1012-I1046 HydrophobicContact CG2-CG1 3.79Å; L1042-I1046 HydrophobicContact CD2-CD1 3.76Å; L1042-I1046 HydrophobicContact CD2-CG1 4.43Å; L1042-I1046 WeakPolarHBondContact O-CG1 2.81Å; L1042-I1046 PolarHBondContact O-N 2.92Å; N1044-I1046 VanDerWaalsContact C-N 3.35Å; N1044-I1046 PolarHBondContact O-N 2.95Å; I1046-L1112 HydrophobicContact CG2-CD2 4.06Å; I1046-F1649 HydrophobicContact CD1-CZ 4.13Å |
| 1047 | F | 68.5 | Low | 53.6 | Low | 5 Ų | 5 | 90.2 Ų | 90.2 | 2% | 0.022 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -112.3 | -22.9 | -171.2 | -70.8 | -64.8 | 0 | 0 | 0 | 113.6 | S1045 L1069 R1109 L1112 F1649 | S1045-F1047 PolarHBondContact O-N 2.91Å; F1047-L1069 HydrophobicContact CB-CD1 3.47Å; F1047-L1069 VanDerWaalsContact CB-CD1 3.47Å; F1047-L1069 HydrophobicContact CD1-CD1 3.12Å; F1047-L1069 HydrophobicContact CD1-CG 4.5Å; F1047-L1069 HydrophobicContact CE1-CD1 3.97Å; F1047-L1069 HydrophobicContact CG-CD1 3.54Å; F1047-R1109 HydrophobicContact CE1-CG 4.39Å; F1047-R1109 HydrophobicContact CE2-CG 3.77Å; F1047-R1109 HydrophobicContact CZ-CG 3.58Å; F1047-L1112 HydrophobicContact CE2-CD2 4.29Å; F1047-L1112 HydrophobicContact CZ-CD2 4.01Å; F1047-F1649 HydrophobicContact CD2-CE1 4.08Å; F1047-F1649 HydrophobicContact CD2-CZ 4.1Å; F1047-F1649 AromaticContact CE2-CE1 3.79Å; F1047-F1649 HydrophobicContact CE2-CE1 3.79Å; F1047-F1649 HydrophobicContact CE2-CE2 4.16Å; F1047-F1649 AromaticContact CE2-CZ 3.59Å; F1047-F1649 HydrophobicContact CE2-CZ 3.59Å |
| 1048 | N | 59.3 | Low | 51.6 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | trans | -114.9 | 32 | -176 | -61.3 | -31.9 | 0 | 0 | 0 | 114 | N1044 K1050 | N1044-N1048 VanDerWaalsContact O-CB 3.26Å; N1044-N1048 WeakPolarHBondContact O-CB 3.39Å; N1044-N1048 PolarHBondContact O-N 3.42Å; N1048-K1050 PolarHBondContact O-N 3.3Å | ||
| 1049 | T | 46.4 | Very low | 49.8 | Very low | 41 Ų | 41 | 91 Ų | 91 | 25% | 0.252 | 48% | 0.483 | S | S | . | . | trans | -59.9 | 109.8 | 178.5 | 15.1 | 0 | 0 | 0 | 0 | 112.1 | S1045 S1051 | S1045-T1049 WeakPolarHBondContact O-CG2 3.42Å; T1049-S1051 PolarHBondContact O-N 3.49Å | ||
| 1050 | K | 43.9 | Very low | 48.2 | Very low | 190 Ų | 190 | 96.3 Ų | 96.3 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | trans | -70.5 | 117 | 159.8 | -69 | -177.3 | 179.1 | -179.6 | 0 | 107.7 | N1048 R1052 | N1048-K1050 PolarHBondContact O-N 3.3Å; K1050-R1052 PolarHBondContact O-N 3.03Å; K1050-R1052 VanDerWaalsContact O-N 3.09Å | ||
| 1051 | S | 38.5 | Very low | 46.3 | Very low | 65 Ų | 65 | 102.5 Ų | 102.5 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | trans | -56.5 | 117.2 | 166.8 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | T1049 C1053 | T1049-S1051 PolarHBondContact O-N 3.49Å; S1051-C1053 VanDerWaalsContact C-N 3.31Å; S1051-C1053 PolarHBondContact O-N 3.19Å | ||
| 1052 | R | 30.9 | Very low | 44.5 | Very low | 246 Ų | 246 | 101.1 Ų | 101.1 | 93% | 0.928 | 54% | 0.544 | S | S | * | . | trans | -80.8 | 80.3 | 166.8 | -82.2 | -178.5 | 173.3 | 174.8 | -1.6 | 107.2 | K1050 S1054 | K1050-R1052 PolarHBondContact O-N 3.03Å; K1050-R1052 VanDerWaalsContact O-N 3.09Å; R1052-S1054 PolarHBondContact O-N 3.26Å | ||
| 1053 | C | 30.1 | Very low | 42.6 | Very low | 69 Ų | 69 | 105.4 Ų | 105.4 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | trans | -74.1 | 122.8 | 161.3 | -75.1 | 0 | 0 | 0 | 0 | 108.9 | S1051 | S1051-C1053 VanDerWaalsContact C-N 3.31Å; S1051-C1053 PolarHBondContact O-N 3.19Å | ||
| 1054 | S | 30.2 | Very low | 41 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 69% | 0.692 | 60% | 0.603 | S | S | * | * | trans | -60.4 | 141.3 | 152.6 | 23.8 | 0 | 0 | 0 | 0 | 109.1 | R1052 D1056 | R1052-S1054 PolarHBondContact O-N 3.26Å; S1054-D1056 PolarHBondContact O-N 3.39Å; S1054-D1056 VanDerWaalsContact O-N 3.08Å | ||
| 1055 | P | 32.1 | Very low | 39.4 | Very low | 120 Ų | 120 | 114.8 Ų | 114.8 | 78% | 0.779 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 0.1 | -170.3 | -15.7 | 31 | 0 | 0 | 0 | 116 | R1057 | P1055-R1057 PolarHBondContact O-N 3.5Š|
| 1056 | D | 34.1 | Very low | 37.8 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 86% | 0.856 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 13 | -163.3 | -91.7 | -6.5 | 0 | 0 | 0 | 116.3 | S1054 | S1054-D1056 PolarHBondContact O-N 3.39Å; S1054-D1056 VanDerWaalsContact O-N 3.08Å |
| 1057 | R | 29 | Very low | 36.2 | Very low | 245 Ų | 245 | 115.3 Ų | 115.3 | 93% | 0.925 | 61% | 0.611 | S | S | * | * | trans | -123.6 | 77.1 | 165.4 | -76.1 | -171.5 | 178.4 | -178.7 | 0.6 | 109.9 | P1055 D1059 | P1055-R1057 PolarHBondContact O-N 3.5Å; R1057-D1059 VanDerWaalsContact C-N 3.29Å; R1057-D1059 PolarHBondContact O-N 3.15Å | ||
| 1058 | A | 29.1 | Very low | 34.9 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 63% | 0.63 | S | S | * | * | trans | -85.3 | 13.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1059 | D | 29.7 | Very low | 34.1 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 61% | 0.609 | S | S | * | * | trans | -108.5 | 130.3 | -179.7 | -69.9 | -30.9 | 0 | 0 | 0 | 111.1 | R1057 | R1057-D1059 VanDerWaalsContact C-N 3.29Å; R1057-D1059 PolarHBondContact O-N 3.15Å | ||
| 1060 | V | 32.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 90.6 | 86.8 | 173.1 | -163 | 0 | 0 | 0 | 0 | 115.8 | T1062 | V1060-T1062 HydrophobicContact CG1-CG2 4.36Å; V1060-T1062 PolarHBondContact O-N 3.26Å; V1060-T1062 PolarHBondContact O-OG1 2.96Å |
| 1061 | L | 27.8 | Very low | 34.4 | Very low | 183 Ų | 183 | 105.9 Ų | 105.9 | 96% | 0.958 | 57% | 0.567 | S | S | * | * | trans | 22.6 | 18 | 133.5 | -79.4 | 162.4 | 0 | 0 | 0 | 122.2 | ||||
| 1062 | T | 31.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 103.9 Ų | 103.9 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | trans | -98.3 | 117.4 | -176.2 | 48.7 | 0 | 0 | 0 | 0 | 110 | V1060 H1064 | V1060-T1062 HydrophobicContact CG1-CG2 4.36Å; V1060-T1062 PolarHBondContact O-N 3.26Å; V1060-T1062 PolarHBondContact O-OG1 2.96Å; T1062-H1064 PolarHBondContact O-N 2.89Å; T1062-H1064 VanDerWaalsContact O-N 3.11Å | ||
| 1063 | P | 30.8 | Very low | 35.3 | Very low | 109 Ų | 109 | 100.3 Ų | 100.3 | 71% | 0.708 | 54% | 0.543 | S | S | * | . | trans | -65.7 | 116.4 | -176.5 | 26.3 | -32.5 | 0 | 0 | 0 | 109.7 | W1065 | P1063-W1065 PolarHBondContact O-N 3.44Å; P1063-W1065 VanDerWaalsContact O-N 3.1Å | ||
| 1064 | H | 32.6 | Very low | 36.4 | Very low | 152 Ų | 152 | 104.5 Ų | 104.5 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | trans | -35.9 | 108.6 | 177.7 | -91.2 | -76.7 | 0 | 0 | 0 | 113.8 | T1062 S1066 | T1062-H1064 PolarHBondContact O-N 2.89Å; T1062-H1064 VanDerWaalsContact O-N 3.11Å; H1064-S1066 VanDerWaalsContact C-N 3.3Å; H1064-S1066 PolarHBondContact O-N 3.22Å | ||
| 1065 | W | 33.6 | Very low | 37.6 | Very low | 129 Ų | 129 | 101.4 Ų | 101.4 | 49% | 0.489 | 53% | 0.532 | S | S | . | . | trans | -71.7 | 79.6 | 170.5 | -57.9 | -41.4 | 0 | 0 | 0 | 111.1 | I934 P1063 C1067 | I934-W1065 HydrophobicContact CD1-CH2 3.7Å; I934-W1065 HydrophobicContact CD1-CZ2 4.21Å; I934-W1065 HydrophobicContact CG1-CH2 3.79Å; I934-W1065 HydrophobicContact CG1-CZ2 3.85Å; P1063-W1065 PolarHBondContact O-N 3.44Å; P1063-W1065 VanDerWaalsContact O-N 3.1Å; W1065-C1067 PolarHBondContact O-N 3.31Å; W1065-C1067 VanDerWaalsContact O-N 3.13Å | ||
| 1066 | S | 34.7 | Very low | 39 | Very low | 35 Ų | 35 | 96 Ų | 96 | 25% | 0.245 | 50% | 0.497 | C | S | . | . | trans | -67.8 | 108 | 163.8 | 61 | 0 | 0 | 0 | 0 | 108.3 | H1064 N1068 | H1064-S1066 VanDerWaalsContact C-N 3.3Å; H1064-S1066 PolarHBondContact O-N 3.22Å; S1066-N1068 PolarHBondContact O-N 3.11Å | ||
| 1067 | C | 35.6 | Very low | 40.6 | Very low | 25 Ų | 25 | 90.8 Ų | 90.8 | 17% | 0.169 | 47% | 0.467 | C | S | . | . | trans | -72.3 | 37.9 | -177.5 | -71.5 | 0 | 0 | 0 | 0 | 114.1 | I859 W1065 L1069 | I859-C1067 HydrophobicContact CD1-CB 3.45Å; I859-C1067 VanDerWaalsContact CD1-CB 3.45Å; I859-C1067 WeakPolarHBondContact CD1-SG 3.41Å; W1065-C1067 PolarHBondContact O-N 3.31Å; W1065-C1067 VanDerWaalsContact O-N 3.13Å; C1067-L1069 PolarHBondContact O-N 3.46Å | ||
| 1068 | N | 40.5 | Very low | 42.5 | Very low | 78 Ų | 78 | 80.3 Ų | 80.3 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | trans | -61.6 | 99.6 | 171 | -74.8 | -5.4 | 0 | 0 | 0 | 108.5 | S1066 I1070 | S1066-N1068 PolarHBondContact O-N 3.11Å; N1068-I1070 PolarHBondContact O-N 3.27Å | ||
| 1069 | L | 42.2 | Very low | 44.6 | Very low | 11 Ų | 11 | 76.1 Ų | 76.1 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 45.6 | -37.3 | 167.9 | -147.8 | 78.6 | 0 | 0 | 0 | 120.9 | R1004 F1047 C1067 L1735 | R1004-L1069 PolarHBondContact NH2-O 3.38Å; F1047-L1069 HydrophobicContact CB-CD1 3.47Å; F1047-L1069 VanDerWaalsContact CB-CD1 3.47Å; F1047-L1069 HydrophobicContact CD1-CD1 3.12Å; F1047-L1069 HydrophobicContact CD1-CG 4.5Å; F1047-L1069 HydrophobicContact CE1-CD1 3.97Å; F1047-L1069 HydrophobicContact CG-CD1 3.54Å; C1067-L1069 PolarHBondContact O-N 3.46Å; L1069-L1735 HydrophobicContact CD2-CD2 4.06Å |
| 1070 | I | 51 | Low | 46.8 | Very low | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -125.1 | 161.3 | -173 | -49.9 | 144.1 | 0 | 0 | 0 | 105.9 | N1068 G1072 Y1739 | N1068-I1070 PolarHBondContact O-N 3.27Å; I1070-G1072 PolarHBondContact O-N 3.06Å; I1070-Y1739 HydrophobicContact CD1-CD1 3.22Å; I1070-Y1739 HydrophobicContact CD1-CD2 4.24Å; I1070-Y1739 HydrophobicContact CD1-CE1 3.27Å; I1070-Y1739 HydrophobicContact CD1-CE2 4.28Å; I1070-Y1739 HydrophobicContact CD1-CG 3.73Å; I1070-Y1739 HydrophobicContact CG1-CD1 4.05Å; I1070-Y1739 HydrophobicContact CG1-CE1 3.57Å |
| 1071 | F | 45.6 | Very low | 48.8 | Very low | 26 Ų | 26 | 66.2 Ų | 66.2 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -43.2 | 137.8 | 160.5 | -70.6 | -92.8 | 0 | 0 | 0 | 108.1 | L933 T936 N1075 G1076 L1079 | L933-F1071 HydrophobicContact CD2-CD1 4.1Å; L933-F1071 HydrophobicContact CD2-CE1 3.32Å; L933-F1071 HydrophobicContact CD2-CZ 3.77Å; T936-F1071 WeakPolarHBondContact OG1-CE1 3.35Å; F1071-N1075 HydrophobicContact CB-CB 3.86Å; F1071-G1076 WeakPolarHBondContact O-CA 3.48Å; F1071-G1076 PolarHBondContact O-N 2.95Å; F1071-L1079 HydrophobicContact CD2-CD2 3.86Å; F1071-L1079 HydrophobicContact CE2-CD2 4.2Å |
| 1072 | G | 39.6 | Very low | 51 | Low | 22 Ų | 22 | 57.8 Ų | 57.8 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | 167.5 | -157.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | I1070 E1074 N1075 G1076 | I1070-G1072 PolarHBondContact O-N 3.06Å; G1072-E1074 CarbonylContact O-C 3.4Å; G1072-E1074 PolarHBondContact O-N 3.35Å; G1072-N1075 CarbonylContact O-C 3.31Å; G1072-N1075 WeakPolarHBondContact O-CA 3.48Å; G1072-N1075 PolarHBondContact O-N 3.22Å; G1072-G1076 PolarHBondContact O-N 3.49Å |
| 1073 | R | 48.7 | Very low | 53.3 | Low | 171 Ų | 171 | 53.1 Ų | 53.1 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -26.8 | -51.6 | -172 | -67.6 | -177.8 | 177 | 174.3 | -2.9 | 116.6 | ||
| 1074 | E | 54.3 | Low | 55.5 | Low | 157 Ų | 157 | 48 Ų | 48 | 73% | 0.734 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -38.8 | 173.3 | -78.3 | -176.8 | 138.7 | 0 | 0 | 114.2 | G1072 G1076 K1077 Q1078 | G1072-E1074 CarbonylContact O-C 3.4Å; G1072-E1074 PolarHBondContact O-N 3.35Å; E1074-G1076 PolarHBondContact O-N 3.29Å; E1074-K1077 WeakPolarHBondContact O-CB 3.41Å; E1074-K1077 PolarHBondContact O-N 3.49Å; E1074-K1077 VanDerWaalsContact O-N 3.12Å; E1074-Q1078 PolarHBondContact O-N 3.1Å |
| 1075 | N | 55.1 | Low | 57.6 | Low | 35 Ų | 35 | 44.1 Ų | 44.1 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -27.8 | -179 | -49.1 | 8.8 | 0 | 0 | 0 | 113.1 | F1071 G1072 Q1078 L1079 | F1071-N1075 HydrophobicContact CB-CB 3.86Å; G1072-N1075 CarbonylContact O-C 3.31Å; G1072-N1075 WeakPolarHBondContact O-CA 3.48Å; G1072-N1075 PolarHBondContact O-N 3.22Å; N1075-Q1078 WeakPolarHBondContact O-CB 3.4Å; N1075-Q1078 PolarHBondContact O-N 2.98Å; N1075-L1079 PolarHBondContact O-N 3.01Å |
| 1076 | G | 61.3 | Low | 59.5 | Low | 5 Ų | 5 | 38.4 Ų | 38.4 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | F1071 G1072 E1074 Q1078 L1080 | F1071-G1076 WeakPolarHBondContact O-CA 3.48Å; F1071-G1076 PolarHBondContact O-N 2.95Å; G1072-G1076 PolarHBondContact O-N 3.49Å; E1074-G1076 PolarHBondContact O-N 3.29Å; G1076-Q1078 VanDerWaalsContact C-N 3.32Å; G1076-L1080 WeakPolarHBondContact O-CG 3.47Å; G1076-L1080 PolarHBondContact O-N 2.89Å; G1076-L1080 VanDerWaalsContact O-N 3.13Å |
| 1077 | K | 67.1 | Low | 61.5 | Low | 52 Ų | 52 | 36.8 Ų | 36.8 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 166.6 | -59.8 | -175.5 | 179 | -173.8 | 0 | 110 | E1074 L1079 L1080 R1081 V1670 F1740 | E1074-K1077 WeakPolarHBondContact O-CB 3.41Å; E1074-K1077 PolarHBondContact O-N 3.49Å; E1074-K1077 VanDerWaalsContact O-N 3.12Å; K1077-L1079 PolarHBondContact O-N 3.45Å; K1077-L1080 CarbonylContact O-C 3.58Å; K1077-L1080 PolarHBondContact O-N 3.24Å; K1077-R1081 WeakPolarHBondContact O-CB 3.38Å; K1077-R1081 WeakPolarHBondContact O-CG 3.21Å; K1077-R1081 PolarHBondContact O-N 3.07Å; K1077-V1670 HydrophobicContact CB-CG1 4.31Å; K1077-F1740 VanDerWaalsContact CE-C 3.47Å; K1077-F1740 WeakPolarHBondContact CE-O 3.25Å; K1077-F1740 PolarHBondContact NZ-O 3.45Å |
| 1078 | Q | 69.7 | Low | 63.4 | Low | 25 Ų | 25 | 36.6 Ų | 36.6 | 12% | 0.117 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 177.2 | -167.8 | -172.7 | 8.9 | 0 | 0 | 112.3 | D941 E1074 N1075 G1076 L1080 R1081 I1082 | D941-Q1078 PolarHBondContact OD1-NE2 3.19Å; E1074-Q1078 PolarHBondContact O-N 3.1Å; N1075-Q1078 WeakPolarHBondContact O-CB 3.4Å; N1075-Q1078 PolarHBondContact O-N 2.98Å; G1076-Q1078 VanDerWaalsContact C-N 3.32Å; Q1078-L1080 VanDerWaalsContact C-N 3.33Å; Q1078-L1080 PolarHBondContact O-N 2.6Å; Q1078-R1081 WeakPolarHBondContact O-CB 3.31Å; Q1078-R1081 PolarHBondContact O-N 2.63Å; Q1078-I1082 HydrophobicContact CG-CD1 3.92Å; Q1078-I1082 WeakPolarHBondContact O-CB 3.35Å; Q1078-I1082 VanDerWaalsContact O-CG1 3.31Å; Q1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; Q1078-I1082 PolarHBondContact O-N 3.35Å |
| 1079 | L | 72.7 | Confident | 64.8 | Low | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 175.1 | 177.4 | 64.4 | 0 | 0 | 0 | 111.1 | L940 L997 F1071 N1075 K1077 I1082 L1083 | L940-L1079 HydrophobicContact CD1-CD1 4.42Å; L940-L1079 HydrophobicContact CD2-CD1 3.87Å; L997-L1079 HydrophobicContact CD1-CD1 4.38Å; F1071-L1079 HydrophobicContact CD2-CD2 3.86Å; F1071-L1079 HydrophobicContact CE2-CD2 4.2Å; N1075-L1079 PolarHBondContact O-N 3.01Å; K1077-L1079 PolarHBondContact O-N 3.45Å; L1079-I1082 PolarHBondContact O-N 3.12Å; L1079-L1083 HydrophobicContact CD1-CD1 4.05Å; L1079-L1083 HydrophobicContact CD1-CG 4.09Å; L1079-L1083 HydrophobicContact CG-CD1 3.95Å; L1079-L1083 HydrophobicContact CG-CG 4.36Å; L1079-L1083 WeakPolarHBondContact O-CB 3.46Å; L1079-L1083 VanDerWaalsContact O-CG 3.25Å; L1079-L1083 WeakPolarHBondContact O-CG 3.12Å; L1079-L1083 PolarHBondContact O-N 3.35Å |
| 1080 | L | 75.6 | Confident | 66 | Low | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.2 | -69.8 | 173.3 | 0 | 0 | 0 | 111.8 | G1076 K1077 Q1078 I1082 L1083 L1084 F1102 F1106 I1663 V1670 Y1739 | G1076-L1080 WeakPolarHBondContact O-CG 3.47Å; G1076-L1080 PolarHBondContact O-N 2.89Å; G1076-L1080 VanDerWaalsContact O-N 3.13Å; K1077-L1080 CarbonylContact O-C 3.58Å; K1077-L1080 PolarHBondContact O-N 3.24Å; Q1078-L1080 VanDerWaalsContact C-N 3.33Å; Q1078-L1080 PolarHBondContact O-N 2.6Å; L1080-I1082 VanDerWaalsContact C-N 3.34Å; L1080-I1082 PolarHBondContact O-N 3.39Å; L1080-L1083 PolarHBondContact O-N 3.41Å; L1080-L1084 VanDerWaalsContact O-CB 3.3Å; L1080-L1084 WeakPolarHBondContact O-CB 3.33Å; L1080-L1084 WeakPolarHBondContact O-CG 3.47Å; L1080-L1084 PolarHBondContact O-N 2.79Å; L1080-F1102 HydrophobicContact CD2-CD2 4.19Å; L1080-F1102 HydrophobicContact CD2-CE2 4Å; L1080-F1106 HydrophobicContact CD2-CE2 3.88Å; L1080-F1106 HydrophobicContact CD2-CZ 3.93Å; L1080-I1663 HydrophobicContact CD1-CD1 4.16Å; L1080-V1670 HydrophobicContact CB-CG1 3.98Å; L1080-Y1739 HydrophobicContact CD1-CD1 3.97Å; L1080-Y1739 HydrophobicContact CD1-CE1 4.49Å |
| 1081 | R | 75 | Confident | 67.2 | Low | 55 Ų | 55 | 42 Ų | 42 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 175.3 | -73 | 170.6 | -172.3 | 177.3 | -3.4 | 111.2 | K1077 Q1078 R1085 V1670 F1671 | K1077-R1081 WeakPolarHBondContact O-CB 3.38Å; K1077-R1081 WeakPolarHBondContact O-CG 3.21Å; K1077-R1081 PolarHBondContact O-N 3.07Å; Q1078-R1081 WeakPolarHBondContact O-CB 3.31Å; Q1078-R1081 PolarHBondContact O-N 2.63Å; R1081-R1085 WeakPolarHBondContact O-CB 3.32Å; R1081-R1085 PolarHBondContact O-N 3.07Å; R1081-V1670 HydrophobicContact CG-CG1 3.84Å; R1081-V1670 VanDerWaalsContact CZ-O 3.31Å; R1081-V1670 PolarHBondContact NE-O 3.31Å; R1081-V1670 PolarHBondContact NH2-O 3.44Å; R1081-F1671 HydrophobicContact CB-CD1 4.36Å; R1081-F1671 HydrophobicContact CB-CE1 3.68Å; R1081-F1671 HydrophobicContact CB-CZ 4.06Å; R1081-F1671 HydrophobicContact CG-CD1 3.82Å; R1081-F1671 HydrophobicContact CG-CE1 3.62Å; R1081-F1671 HydrophobicContact CG-CG 4.47Å; R1081-F1671 HydrophobicContact CG-CZ 4.11Å |
| 1082 | I | 74 | Confident | 68.4 | Low | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -50.3 | 178.6 | -68.9 | 165.5 | 0 | 0 | 0 | 109.7 | L940 M943 Q1078 L1079 L1080 L1084 R1085 L1086 | L940-I1082 HydrophobicContact CB-CD1 3.75Å; L940-I1082 HydrophobicContact CD2-CD1 3.57Å; L940-I1082 HydrophobicContact CD2-CG2 4.38Å; L940-I1082 HydrophobicContact CG-CD1 4.23Å; L940-I1082 WeakPolarHBondContact O-CD1 3.4Å; M943-I1082 HydrophobicContact CB-CG2 4.27Å; M943-I1082 HydrophobicContact CE-CG2 3.81Å; M943-I1082 HydrophobicContact SD-CG2 4.3Å; Q1078-I1082 HydrophobicContact CG-CD1 3.92Å; Q1078-I1082 WeakPolarHBondContact O-CB 3.35Å; Q1078-I1082 VanDerWaalsContact O-CG1 3.31Å; Q1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; Q1078-I1082 PolarHBondContact O-N 3.35Å; L1079-I1082 PolarHBondContact O-N 3.12Å; L1080-I1082 VanDerWaalsContact C-N 3.34Å; L1080-I1082 PolarHBondContact O-N 3.39Å; I1082-L1084 PolarHBondContact O-N 3.1Å; I1082-R1085 CarbonylContact O-C 3.55Å; I1082-R1085 WeakPolarHBondContact O-CB 3.2Å; I1082-R1085 PolarHBondContact O-N 3.05Å; I1082-R1085 VanDerWaalsContact O-N 3.12Å; I1082-L1086 HydrophobicContact CG2-CD1 4.02Å; I1082-L1086 HydrophobicContact CG2-CG 4.26Å; I1082-L1086 VanDerWaalsContact O-CG 3.24Å; I1082-L1086 WeakPolarHBondContact O-CG 3.32Å; I1082-L1086 PolarHBondContact O-N 2.85Å |
| 1083 | L | 78.9 | Confident | 70.1 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 179.1 | -69.8 | 175.1 | 0 | 0 | 0 | 111.7 | L1079 L1080 R1085 L1086 I1087 I1101 F1102 | L1079-L1083 HydrophobicContact CD1-CD1 4.05Å; L1079-L1083 HydrophobicContact CD1-CG 4.09Å; L1079-L1083 HydrophobicContact CG-CD1 3.95Å; L1079-L1083 HydrophobicContact CG-CG 4.36Å; L1079-L1083 WeakPolarHBondContact O-CB 3.46Å; L1079-L1083 VanDerWaalsContact O-CG 3.25Å; L1079-L1083 WeakPolarHBondContact O-CG 3.12Å; L1079-L1083 PolarHBondContact O-N 3.35Å; L1080-L1083 PolarHBondContact O-N 3.41Å; L1083-R1085 VanDerWaalsContact C-N 3.32Å; L1083-R1085 PolarHBondContact O-N 3.48Å; L1083-L1086 HydrophobicContact CD2-CD1 4.46Å; L1083-L1086 PolarHBondContact O-N 3.04Å; L1083-I1087 WeakPolarHBondContact O-CD1 3.47Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.29Å; L1083-I1087 PolarHBondContact O-N 3.14Å; L1083-I1101 HydrophobicContact CD1-CG2 3.97Å; L1083-I1101 HydrophobicContact CD2-CB 4.15Å; L1083-I1101 HydrophobicContact CD2-CG2 3.97Å; L1083-F1102 HydrophobicContact CD1-CB 4.32Å |
| 1084 | L | 77.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.8 | -69 | 171.4 | 0 | 0 | 0 | 111 | L1080 I1082 L1086 I1087 V1088 F1102 I1663 L1664 P1667 V1670 F1671 F1682 F1687 | L1080-L1084 VanDerWaalsContact O-CB 3.3Å; L1080-L1084 WeakPolarHBondContact O-CB 3.33Å; L1080-L1084 WeakPolarHBondContact O-CG 3.47Å; L1080-L1084 PolarHBondContact O-N 2.79Å; I1082-L1084 PolarHBondContact O-N 3.1Å; L1084-L1086 VanDerWaalsContact C-N 3.35Å; L1084-L1086 PolarHBondContact O-N 3.36Å; L1084-I1087 PolarHBondContact O-N 3.29Å; L1084-V1088 VanDerWaalsContact O-CG2 3.32Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; L1084-V1088 PolarHBondContact O-N 3.41Å; L1084-V1088 VanDerWaalsContact O-N 3.09Å; L1084-F1102 HydrophobicContact CD2-CE2 4.48Å; L1084-I1663 HydrophobicContact CD1-CG2 4.32Å; L1084-L1664 HydrophobicContact CD2-CD2 3.89Å; L1084-P1667 HydrophobicContact CD1-CB 4.08Å; L1084-P1667 HydrophobicContact CD2-CB 4.49Å; L1084-V1670 HydrophobicContact CD1-CB 4.39Å; L1084-V1670 HydrophobicContact CD1-CG2 4.18Å; L1084-F1671 HydrophobicContact CB-CE2 4.34Å; L1084-F1671 HydrophobicContact CB-CZ 4.25Å; L1084-F1671 HydrophobicContact CD1-CE2 4.07Å; L1084-F1682 HydrophobicContact CB-CE1 4.38Å; L1084-F1687 HydrophobicContact CD2-CE1 4.19Å; L1084-F1687 HydrophobicContact CD2-CE2 4.28Å; L1084-F1687 HydrophobicContact CD2-CZ 3.57Å |
| 1085 | R | 75.7 | Confident | 72.8 | Confident | 71 Ų | 71 | 27.9 Ų | 27.9 | 27% | 0.268 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 176.6 | -164.3 | 172.1 | -171.6 | -172 | 0.3 | 113.1 | D944 T946 R1081 I1082 L1083 | D944-R1085 PolarHBondContact O-NH1 2.96Å; D944-R1085 VanDerWaalsContact O-NH1 3.16Å; D944-R1085 IonicContact OD1-NH1 3.87Å; D944-R1085 PolarHBondContact OD1-NH1 2.78Å; T946-R1085 PolarHBondContact O-NH2 3.19Å; T946-R1085 VanDerWaalsContact O-NH2 3.13Å; R1081-R1085 WeakPolarHBondContact O-CB 3.32Å; R1081-R1085 PolarHBondContact O-N 3.07Å; I1082-R1085 CarbonylContact O-C 3.55Å; I1082-R1085 WeakPolarHBondContact O-CB 3.2Å; I1082-R1085 PolarHBondContact O-N 3.05Å; I1082-R1085 VanDerWaalsContact O-N 3.12Å; L1083-R1085 VanDerWaalsContact C-N 3.32Å; L1083-R1085 PolarHBondContact O-N 3.48Å |
| 1086 | L | 75 | Confident | 73.9 | Confident | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.8 | -38.1 | 173.7 | -64.1 | 172.1 | 0 | 0 | 0 | 111.7 | M943 K990 L994 I1082 L1083 L1084 V1088 S1089 L1094 | M943-L1086 HydrophobicContact CE-CD1 3.51Å; M943-L1086 HydrophobicContact CE-CD2 3.76Å; M943-L1086 HydrophobicContact CE-CG 4.13Å; K990-L1086 HydrophobicContact CD-CD2 4.17Å; L994-L1086 HydrophobicContact CD1-CD1 4.3Å; L994-L1086 HydrophobicContact CD2-CD1 3.82Å; L994-L1086 HydrophobicContact CG-CD1 4.48Å; I1082-L1086 HydrophobicContact CG2-CD1 4.02Å; I1082-L1086 HydrophobicContact CG2-CG 4.26Å; I1082-L1086 VanDerWaalsContact O-CG 3.24Å; I1082-L1086 WeakPolarHBondContact O-CG 3.32Å; I1082-L1086 PolarHBondContact O-N 2.85Å; L1083-L1086 HydrophobicContact CD2-CD1 4.46Å; L1083-L1086 PolarHBondContact O-N 3.04Å; L1084-L1086 VanDerWaalsContact C-N 3.35Å; L1084-L1086 PolarHBondContact O-N 3.36Å; L1086-V1088 VanDerWaalsContact C-N 3.25Å; L1086-V1088 PolarHBondContact O-N 2.81Å; L1086-S1089 VanDerWaalsContact O-CB 3.26Å; L1086-S1089 WeakPolarHBondContact O-CB 3.47Å; L1086-S1089 PolarHBondContact O-N 2.85Å; L1086-S1089 VanDerWaalsContact O-N 3.11Å; L1086-S1089 PolarHBondContact O-OG 2.91Å; L1086-L1094 HydrophobicContact CB-CD2 4.38Å; L1086-L1094 HydrophobicContact CB-CG 4.24Å; L1086-L1094 HydrophobicContact CD2-CD1 4.07Å; L1086-L1094 HydrophobicContact CD2-CD2 3.61Å; L1086-L1094 HydrophobicContact CD2-CG 3.95Å |
| 1087 | I | 75.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 176 | -68.2 | 161.4 | 0 | 0 | 0 | 110 | L1083 L1084 S1089 L1099 F1687 H1694 | L1083-I1087 WeakPolarHBondContact O-CD1 3.47Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.29Å; L1083-I1087 PolarHBondContact O-N 3.14Å; L1084-I1087 PolarHBondContact O-N 3.29Å; I1087-S1089 PolarHBondContact O-N 3.47Å; I1087-S1089 VanDerWaalsContact O-N 3.14Å; I1087-L1099 HydrophobicContact CD1-CD2 3.66Å; I1087-L1099 HydrophobicContact CD1-CG 4.33Å; I1087-L1099 HydrophobicContact CG1-CD2 3.93Å; I1087-L1099 HydrophobicContact CG1-CG 4.12Å; I1087-L1099 HydrophobicContact CG2-CD2 4.34Å; I1087-F1687 HydrophobicContact CG2-CE2 4.34Å; I1087-F1687 HydrophobicContact CG2-CZ 4.29Å; I1087-H1694 PolarHBondContact O-CE1 2.83Å; I1087-H1694 PolarHBondContact O-NE2 3.2Å |
| 1088 | V | 75.5 | Confident | 75.7 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 113.9 | L1084 L1086 F1682 F1687 K1690 | L1084-V1088 VanDerWaalsContact O-CG2 3.32Å; L1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; L1084-V1088 PolarHBondContact O-N 3.41Å; L1084-V1088 VanDerWaalsContact O-N 3.09Å; L1086-V1088 VanDerWaalsContact C-N 3.25Å; L1086-V1088 PolarHBondContact O-N 2.81Å; V1088-F1682 HydrophobicContact CG2-CE1 3.82Å; V1088-F1682 HydrophobicContact CG2-CZ 4.2Å; V1088-F1687 HydrophobicContact CG2-CD2 3.67Å; V1088-F1687 HydrophobicContact CG2-CE2 3.68Å; V1088-K1690 HydrophobicContact CG1-CD 4.02Å; V1088-K1690 VanDerWaalsContact CG1-NZ 3.25Å |
| 1089 | S | 70.5 | Confident | 76.4 | Confident | 29 Ų | 29 | 24 Ų | 24 | 20% | 0.203 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -73.6 | 148.2 | -179 | 78 | 0 | 0 | 0 | 0 | 112.7 | L1086 I1087 Y1091 I1095 | L1086-S1089 VanDerWaalsContact O-CB 3.26Å; L1086-S1089 WeakPolarHBondContact O-CB 3.47Å; L1086-S1089 PolarHBondContact O-N 2.85Å; L1086-S1089 VanDerWaalsContact O-N 3.11Å; L1086-S1089 PolarHBondContact O-OG 2.91Å; I1087-S1089 PolarHBondContact O-N 3.47Å; I1087-S1089 VanDerWaalsContact O-N 3.14Å; S1089-Y1091 PolarHBondContact O-N 2.96Å; S1089-I1095 WeakPolarHBondContact O-CD1 3.42Å; S1089-I1095 WeakPolarHBondContact O-CG1 3.27Å |
| 1090 | D | 67.3 | Low | 77 | Confident | 108 Ų | 108 | 26 Ų | 26 | 58% | 0.578 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -85 | 23.4 | 175.2 | -68.9 | -62.6 | 0 | 0 | 0 | 113.3 | P1092 K1693 | D1090-P1092 WeakPolarHBondContact O-CD 3.45Å; D1090-K1693 IonicContact OD1-NZ 3.18Å; D1090-K1693 PolarHBondContact OD1-NZ 2.72Å |
| 1091 | Y | 75.4 | Confident | 77.4 | Confident | 81 Ų | 81 | 26 Ų | 26 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | trans | -108.3 | 103.8 | -178.2 | -172.8 | -122.4 | 0 | 0 | 0 | 111.8 | L987 L991 S1089 P1093 L1094 I1095 | L987-Y1091 HydrophobicContact CB-CD1 4.25Å; L987-Y1091 HydrophobicContact CB-CE1 4.18Å; L987-Y1091 HydrophobicContact CD1-CD1 4.28Å; L987-Y1091 HydrophobicContact CD1-CD2 4.46Å; L987-Y1091 HydrophobicContact CD1-CG 4.19Å; L987-Y1091 HydrophobicContact CD2-CD1 4.13Å; L987-Y1091 HydrophobicContact CD2-CG 4.47Å; L987-Y1091 HydrophobicContact CG-CD1 4.46Å; L991-Y1091 HydrophobicContact CD1-CE1 4Å; S1089-Y1091 PolarHBondContact O-N 2.96Å; Y1091-P1093 HydrophobicContact CE1-CB 3.93Å; Y1091-P1093 HydrophobicContact CE1-CG 3.9Å; Y1091-P1093 HydrophobicContact CE2-CG 4.08Å; Y1091-L1094 HydrophobicContact CD1-CB 3.75Å; Y1091-L1094 WeakPolarHBondContact O-CB 3.3Å; Y1091-L1094 PolarHBondContact O-N 2.94Å; Y1091-I1095 WeakPolarHBondContact O-CG1 3.28Å; Y1091-I1095 PolarHBondContact O-N 2.96Å; Y1091-I1095 VanDerWaalsContact O-N 3.13Å | ||
| 1092 | P | 72.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 23.4 Ų | 23.4 | 20% | 0.195 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -39.1 | -168.4 | -24.9 | 32.3 | 0 | 0 | 0 | 117.4 | D1090 L1094 I1095 S1096 E1701 | D1090-P1092 WeakPolarHBondContact O-CD 3.45Å; P1092-L1094 PolarHBondContact O-N 2.69Å; P1092-I1095 PolarHBondContact O-N 2.89Å; P1092-S1096 PolarHBondContact O-N 2.86Å; P1092-S1096 PolarHBondContact O-OG 2.85Å; P1092-E1701 VanDerWaalsContact CB-CD 3.4Å; P1092-E1701 WeakPolarHBondContact CB-OE1 3.45Å; P1092-E1701 WeakPolarHBondContact CB-OE2 3.36Å |
| 1093 | P | 74.1 | Confident | 78.5 | Confident | 43 Ų | 43 | 23.7 Ų | 23.7 | 28% | 0.279 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.3 | -30.8 | 177.1 | -25.7 | 37.1 | 0 | 0 | 0 | 113.2 | L991 Y1091 S1096 S1097 | L991-P1093 HydrophobicContact CD1-CB 4.03Å; L991-P1093 HydrophobicContact CD2-CB 4.09Å; L991-P1093 WeakPolarHBondContact CD2-O 3.39Å; Y1091-P1093 HydrophobicContact CE1-CB 3.93Å; Y1091-P1093 HydrophobicContact CE1-CG 3.9Å; Y1091-P1093 HydrophobicContact CE2-CG 4.08Å; P1093-S1096 WeakPolarHBondContact CA-OG 3.42Å; P1093-S1096 PolarHBondContact O-OG 3.09Å; P1093-S1096 VanDerWaalsContact O-OG 3.07Å; P1093-S1097 WeakPolarHBondContact O-CB 3.4Å; P1093-S1097 PolarHBondContact O-N 2.8Å; P1093-S1097 PolarHBondContact O-OG 3.45Å; P1093-S1097 VanDerWaalsContact O-OG 3.05Å |
| 1094 | L | 79.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -80.4 | -38.4 | 179.1 | -166.2 | 72.6 | 0 | 0 | 0 | 111.1 | L987 K990 L991 L994 L1086 Y1091 P1092 G1098 | L987-L1094 HydrophobicContact CD2-CD2 4.1Å; K990-L1094 HydrophobicContact CB-CD1 3.9Å; L991-L1094 HydrophobicContact CD2-CB 4.32Å; L991-L1094 HydrophobicContact CD2-CD1 3.98Å; L991-L1094 HydrophobicContact CG-CD1 4.4Å; L994-L1094 HydrophobicContact CD1-CD1 3.75Å; L1086-L1094 HydrophobicContact CB-CD2 4.38Å; L1086-L1094 HydrophobicContact CB-CG 4.24Å; L1086-L1094 HydrophobicContact CD2-CD1 4.07Å; L1086-L1094 HydrophobicContact CD2-CD2 3.61Å; L1086-L1094 HydrophobicContact CD2-CG 3.95Å; Y1091-L1094 HydrophobicContact CD1-CB 3.75Å; Y1091-L1094 WeakPolarHBondContact O-CB 3.3Å; Y1091-L1094 PolarHBondContact O-N 2.94Å; P1092-L1094 PolarHBondContact O-N 2.69Å; L1094-G1098 WeakPolarHBondContact O-CA 3.41Å; L1094-G1098 PolarHBondContact O-N 3.01Å |
| 1095 | I | 80.4 | Confident | 78.9 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 172.9 | -61.8 | 155.9 | 0 | 0 | 0 | 110.2 | S1089 Y1091 P1092 S1097 G1098 L1099 H1694 | S1089-I1095 WeakPolarHBondContact O-CD1 3.42Å; S1089-I1095 WeakPolarHBondContact O-CG1 3.27Å; Y1091-I1095 WeakPolarHBondContact O-CG1 3.28Å; Y1091-I1095 PolarHBondContact O-N 2.96Å; Y1091-I1095 VanDerWaalsContact O-N 3.13Å; P1092-I1095 PolarHBondContact O-N 2.89Å; I1095-S1097 PolarHBondContact O-N 3.21Å; I1095-G1098 PolarHBondContact O-N 3.4Å; I1095-L1099 HydrophobicContact CG2-CD1 3.77Å; I1095-L1099 HydrophobicContact CG2-CG 4.33Å; I1095-L1099 WeakPolarHBondContact O-CB 3.47Å; I1095-L1099 WeakPolarHBondContact O-CG 3.35Å; I1095-L1099 PolarHBondContact O-N 3.22Å; I1095-H1694 VanDerWaalsContact CD1-CE1 3.41Å; I1095-H1694 WeakPolarHBondContact CD1-CE1 3.44Å; I1095-H1694 VanDerWaalsContact CD1-ND1 3.29Å; I1095-H1694 WeakPolarHBondContact CD1-ND1 3.13Å; I1095-H1694 HydrophobicContact CG2-CB 4.26Å |
| 1096 | S | 79.1 | Confident | 79.2 | Confident | 16 Ų | 16 | 22.3 Ų | 22.3 | 11% | 0.112 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | -178.8 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | P1092 P1093 D1100 | P1092-S1096 PolarHBondContact O-N 2.86Å; P1092-S1096 PolarHBondContact O-OG 2.85Å; P1093-S1096 WeakPolarHBondContact CA-OG 3.42Å; P1093-S1096 PolarHBondContact O-OG 3.09Å; P1093-S1096 VanDerWaalsContact O-OG 3.07Å; S1096-D1100 VanDerWaalsContact O-CB 3.28Å; S1096-D1100 WeakPolarHBondContact O-CB 3.31Å; S1096-D1100 PolarHBondContact O-N 2.69Å |
| 1097 | S | 82.6 | Confident | 79.6 | Confident | 21 Ų | 21 | 23.4 Ų | 23.4 | 15% | 0.147 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -36 | 176.8 | -64.2 | 0 | 0 | 0 | 0 | 113 | P1093 I1095 I1101 | P1093-S1097 WeakPolarHBondContact O-CB 3.4Å; P1093-S1097 PolarHBondContact O-N 2.8Å; P1093-S1097 PolarHBondContact O-OG 3.45Å; P1093-S1097 VanDerWaalsContact O-OG 3.05Å; I1095-S1097 PolarHBondContact O-N 3.21Å; S1097-I1101 WeakPolarHBondContact O-CD1 3.4Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; S1097-I1101 PolarHBondContact O-N 2.98Å; S1097-I1101 VanDerWaalsContact O-N 3.13Å |
| 1098 | G | 83.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1094 I1095 I1101 F1102 | L1094-G1098 WeakPolarHBondContact O-CA 3.41Å; L1094-G1098 PolarHBondContact O-N 3.01Å; I1095-G1098 PolarHBondContact O-N 3.4Å; G1098-I1101 PolarHBondContact O-N 2.59Å; G1098-F1102 WeakPolarHBondContact O-CB 3.32Å; G1098-F1102 PolarHBondContact O-N 2.91Å |
| 1099 | L | 84.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.7 | -74.6 | 173 | 0 | 0 | 0 | 112 | I1087 I1095 F1102 F1103 L1698 L1710 | I1087-L1099 HydrophobicContact CD1-CD2 3.66Å; I1087-L1099 HydrophobicContact CD1-CG 4.33Å; I1087-L1099 HydrophobicContact CG1-CD2 3.93Å; I1087-L1099 HydrophobicContact CG1-CG 4.12Å; I1087-L1099 HydrophobicContact CG2-CD2 4.34Å; I1095-L1099 HydrophobicContact CG2-CD1 3.77Å; I1095-L1099 HydrophobicContact CG2-CG 4.33Å; I1095-L1099 WeakPolarHBondContact O-CB 3.47Å; I1095-L1099 WeakPolarHBondContact O-CG 3.35Å; I1095-L1099 PolarHBondContact O-N 3.22Å; L1099-F1102 PolarHBondContact O-N 2.98Å; L1099-F1103 HydrophobicContact CB-CD2 4.48Å; L1099-F1103 HydrophobicContact CB-CE2 4.41Å; L1099-F1103 HydrophobicContact CD2-CE2 4.39Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.39Å; L1099-F1103 PolarHBondContact O-N 2.9Å; L1099-L1698 HydrophobicContact CD1-CD1 4.04Å; L1099-L1710 HydrophobicContact CD1-CD2 4.24Å |
| 1100 | D | 84.2 | Confident | 80.8 | Confident | 45 Ų | 45 | 24.9 Ų | 24.9 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.8 | -51 | 174.6 | -178.8 | 45.8 | 0 | 0 | 0 | 110.9 | K998 S1096 F1102 F1103 R1104 L1706 | K998-D1100 VanDerWaalsContact CE-OD2 3.26Å; K998-D1100 WeakPolarHBondContact CE-OD2 3.32Å; K998-D1100 IonicContact NZ-OD2 2.79Å; K998-D1100 PolarHBondContact NZ-OD2 2.73Å; S1096-D1100 VanDerWaalsContact O-CB 3.28Å; S1096-D1100 WeakPolarHBondContact O-CB 3.31Å; S1096-D1100 PolarHBondContact O-N 2.69Å; D1100-F1102 VanDerWaalsContact C-N 3.35Å; D1100-F1102 PolarHBondContact O-N 3.07Å; D1100-F1103 PolarHBondContact O-N 3.04Å; D1100-R1104 WeakPolarHBondContact O-CB 3.42Å; D1100-R1104 WeakPolarHBondContact O-CG 3.33Å; D1100-R1104 PolarHBondContact O-N 3.04Å; D1100-L1706 HydrophobicContact CB-CD1 4.5Å; D1100-L1706 HydrophobicContact CB-CD2 4.29Å |
| 1101 | I | 83.9 | Confident | 81.7 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 177.4 | -66.5 | 163.8 | 0 | 0 | 0 | 111.6 | L994 L997 K998 L1001 L1083 S1097 G1098 R1104 N1105 | L994-I1101 HydrophobicContact CB-CD1 3.8Å; L994-I1101 HydrophobicContact CD1-CD1 4.47Å; L994-I1101 HydrophobicContact CD2-CD1 3.73Å; L994-I1101 HydrophobicContact CG-CD1 4.18Å; L997-I1101 HydrophobicContact CB-CD1 4.37Å; K998-I1101 HydrophobicContact CD-CG1 4.36Å; K998-I1101 HydrophobicContact CG-CD1 3.86Å; K998-I1101 HydrophobicContact CG-CG1 3.64Å; L1001-I1101 HydrophobicContact CD1-CG2 4.09Å; L1083-I1101 HydrophobicContact CD1-CG2 3.97Å; L1083-I1101 HydrophobicContact CD2-CB 4.15Å; L1083-I1101 HydrophobicContact CD2-CG2 3.97Å; S1097-I1101 WeakPolarHBondContact O-CD1 3.4Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; S1097-I1101 PolarHBondContact O-N 2.98Å; S1097-I1101 VanDerWaalsContact O-N 3.13Å; G1098-I1101 PolarHBondContact O-N 2.59Å; I1101-R1104 PolarHBondContact O-N 3.18Å; I1101-N1105 WeakPolarHBondContact O-CB 3.4Å; I1101-N1105 PolarHBondContact O-N 2.91Å |
| 1102 | F | 86.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -54.6 | 176.5 | 179.9 | -89.3 | 0 | 0 | 0 | 111.2 | L1080 L1083 L1084 G1098 L1099 D1100 R1104 N1105 F1106 A1660 I1663 L1664 | L1080-F1102 HydrophobicContact CD2-CD2 4.19Å; L1080-F1102 HydrophobicContact CD2-CE2 4Å; L1083-F1102 HydrophobicContact CD1-CB 4.32Å; L1084-F1102 HydrophobicContact CD2-CE2 4.48Å; G1098-F1102 WeakPolarHBondContact O-CB 3.32Å; G1098-F1102 PolarHBondContact O-N 2.91Å; L1099-F1102 PolarHBondContact O-N 2.98Å; D1100-F1102 VanDerWaalsContact C-N 3.35Å; D1100-F1102 PolarHBondContact O-N 3.07Å; F1102-R1104 VanDerWaalsContact C-N 3.33Å; F1102-R1104 PolarHBondContact O-N 2.82Å; F1102-N1105 WeakPolarHBondContact O-CB 3.34Å; F1102-N1105 PolarHBondContact O-N 2.67Å; F1102-N1105 VanDerWaalsContact O-N 3.11Å; F1102-F1106 HydrophobicContact CD1-CD2 4.24Å; F1102-F1106 HydrophobicContact CD1-CE2 4.41Å; F1102-F1106 HydrophobicContact CD2-CE2 4.03Å; F1102-F1106 AromaticContact CE1-CD2 3.93Å; F1102-F1106 HydrophobicContact CE1-CD2 3.93Å; F1102-F1106 AromaticContact CE1-CE2 3.96Å; F1102-F1106 HydrophobicContact CE1-CE2 3.96Å; F1102-F1106 HydrophobicContact CE2-CD2 4.31Å; F1102-F1106 AromaticContact CE2-CE2 3.56Å; F1102-F1106 HydrophobicContact CE2-CE2 3.56Å; F1102-F1106 HydrophobicContact CE2-CZ 4.44Å; F1102-F1106 HydrophobicContact CG-CE2 4.43Å; F1102-F1106 AromaticContact CZ-CD2 3.96Å; F1102-F1106 HydrophobicContact CZ-CD2 3.96Å; F1102-F1106 AromaticContact CZ-CE2 3.49Å; F1102-F1106 HydrophobicContact CZ-CE2 3.49Å; F1102-F1106 VanDerWaalsContact CZ-CE2 3.49Å; F1102-F1106 HydrophobicContact CZ-CZ 4.38Å; F1102-F1106 VanDerWaalsContact O-CD2 3.27Å; F1102-F1106 WeakPolarHBondContact O-CD2 3.36Å; F1102-F1106 PolarHBondContact O-N 3.03Å; F1102-A1660 HydrophobicContact CE1-CB 4.16Å; F1102-A1660 HydrophobicContact CZ-CB 4.46Å; F1102-I1663 HydrophobicContact CE2-CG2 4.24Å; F1102-I1663 HydrophobicContact CZ-CG2 4.36Å; F1102-L1664 HydrophobicContact CD1-CD1 4.47Å; F1102-L1664 HydrophobicContact CE1-CD1 3.63Å; F1102-L1664 HydrophobicContact CE1-CD2 4.07Å; F1102-L1664 HydrophobicContact CE1-CG 3.79Å; F1102-L1664 HydrophobicContact CE2-CD2 4.24Å; F1102-L1664 HydrophobicContact CZ-CD1 4.01Å; F1102-L1664 HydrophobicContact CZ-CD2 3.79Å; F1102-L1664 HydrophobicContact CZ-CG 3.61Å |
| 1103 | F | 86.1 | Confident | 82.8 | Confident | 13 Ų | 13 | 17.3 Ų | 17.3 | 6% | 0.057 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.6 | -34.3 | -179.7 | -74 | -57 | 0 | 0 | 0 | 113.1 | L1099 D1100 N1105 F1106 N1107 L1706 K1709 L1710 T1713 | L1099-F1103 HydrophobicContact CB-CD2 4.48Å; L1099-F1103 HydrophobicContact CB-CE2 4.41Å; L1099-F1103 HydrophobicContact CD2-CE2 4.39Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.39Å; L1099-F1103 PolarHBondContact O-N 2.9Å; D1100-F1103 PolarHBondContact O-N 3.04Å; F1103-N1105 VanDerWaalsContact C-N 3.31Å; F1103-F1106 CarbonylContact O-C 3.55Å; F1103-F1106 PolarHBondContact O-N 3.46Å; F1103-N1107 WeakPolarHBondContact O-CB 3.34Å; F1103-N1107 PolarHBondContact O-N 3.35Å; F1103-N1107 VanDerWaalsContact O-N 3.11Å; F1103-N1107 PolarHBondContact O-ND2 3.45Å; F1103-L1706 HydrophobicContact CD2-CD2 4.3Å; F1103-K1709 HydrophobicContact CE2-CB 4.35Å; F1103-L1710 HydrophobicContact CZ-CD1 4.13Å; F1103-T1713 HydrophobicContact CE1-CG2 4.34Å; F1103-T1713 VanDerWaalsContact CE1-OG1 3.29Å; F1103-T1713 WeakPolarHBondContact CE1-OG1 3.41Å; F1103-T1713 WeakPolarHBondContact CZ-OG1 3.39Å |
| 1104 | R | 84.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 15% | 0.147 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | 173.4 | -70.4 | -171.6 | 68.7 | -160.8 | -5.6 | 111.9 | N1002 D1100 I1101 F1102 F1106 N1107 E1111 | N1002-R1104 PolarHBondContact OD1-NH1 2.69Å; N1002-R1104 PolarHBondContact OD1-NH2 2.86Å; D1100-R1104 WeakPolarHBondContact O-CB 3.42Å; D1100-R1104 WeakPolarHBondContact O-CG 3.33Å; D1100-R1104 PolarHBondContact O-N 3.04Å; I1101-R1104 PolarHBondContact O-N 3.18Å; F1102-R1104 VanDerWaalsContact C-N 3.33Å; F1102-R1104 PolarHBondContact O-N 2.82Å; R1104-F1106 PolarHBondContact O-N 3.41Å; R1104-N1107 PolarHBondContact O-N 2.87Å; R1104-N1107 VanDerWaalsContact O-N 3.08Å; R1104-E1111 WeakPolarHBondContact CB-OE1 3.48Å; R1104-E1111 WeakPolarHBondContact CG-OE1 3.46Å; R1104-E1111 IonicContact CZ-OE1 3.17Å; R1104-E1111 IonicContact CZ-OE2 3.73Å; R1104-E1111 IonicContact NE-OE1 2.78Å; R1104-E1111 PolarHBondContact NE-OE1 3.49Å; R1104-E1111 IonicContact NE-OE2 2.92Å; R1104-E1111 IonicContact NH2-OE1 2.79Å; R1104-E1111 IonicContact NH2-OE2 3.88Å; R1104-E1111 PolarHBondContact NH2-OE2 2.87Å |
| 1105 | N | 79.2 | Confident | 83.5 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.2 | -26.5 | 175.6 | -168.1 | 58.9 | 0 | 0 | 0 | 112.9 | I1101 F1102 F1103 Q1108 Y1739 | I1101-N1105 WeakPolarHBondContact O-CB 3.4Å; I1101-N1105 PolarHBondContact O-N 2.91Å; F1102-N1105 WeakPolarHBondContact O-CB 3.34Å; F1102-N1105 PolarHBondContact O-N 2.67Å; F1102-N1105 VanDerWaalsContact O-N 3.11Å; F1103-N1105 VanDerWaalsContact C-N 3.31Å; N1105-Q1108 WeakPolarHBondContact O-CG 3.35Å; N1105-Q1108 PolarHBondContact O-NE2 3.07Å; N1105-Q1108 PolarHBondContact OD1-NE2 3.33Å; N1105-Y1739 PolarHBondContact O-OH 2.81Å |
| 1106 | F | 82.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 10 | 172.9 | -65.6 | -81 | 0 | 0 | 0 | 114 | L1080 F1102 F1103 R1104 E1656 V1659 A1660 I1663 Y1739 | L1080-F1106 HydrophobicContact CD2-CE2 3.88Å; L1080-F1106 HydrophobicContact CD2-CZ 3.93Å; F1102-F1106 HydrophobicContact CD1-CD2 4.24Å; F1102-F1106 HydrophobicContact CD1-CE2 4.41Å; F1102-F1106 HydrophobicContact CD2-CE2 4.03Å; F1102-F1106 AromaticContact CE1-CD2 3.93Å; F1102-F1106 HydrophobicContact CE1-CD2 3.93Å; F1102-F1106 AromaticContact CE1-CE2 3.96Å; F1102-F1106 HydrophobicContact CE1-CE2 3.96Å; F1102-F1106 HydrophobicContact CE2-CD2 4.31Å; F1102-F1106 AromaticContact CE2-CE2 3.56Å; F1102-F1106 HydrophobicContact CE2-CE2 3.56Å; F1102-F1106 HydrophobicContact CE2-CZ 4.44Å; F1102-F1106 HydrophobicContact CG-CE2 4.43Å; F1102-F1106 AromaticContact CZ-CD2 3.96Å; F1102-F1106 HydrophobicContact CZ-CD2 3.96Å; F1102-F1106 AromaticContact CZ-CE2 3.49Å; F1102-F1106 HydrophobicContact CZ-CE2 3.49Å; F1102-F1106 VanDerWaalsContact CZ-CE2 3.49Å; F1102-F1106 HydrophobicContact CZ-CZ 4.38Å; F1102-F1106 VanDerWaalsContact O-CD2 3.27Å; F1102-F1106 WeakPolarHBondContact O-CD2 3.36Å; F1102-F1106 PolarHBondContact O-N 3.03Å; F1103-F1106 CarbonylContact O-C 3.55Å; F1103-F1106 PolarHBondContact O-N 3.46Å; R1104-F1106 PolarHBondContact O-N 3.41Å; F1106-E1656 WeakPolarHBondContact CD1-O 3.35Å; F1106-E1656 VanDerWaalsContact O-CB 3.26Å; F1106-E1656 WeakPolarHBondContact O-CB 3.45Å; F1106-V1659 HydrophobicContact CE1-CB 4.42Å; F1106-V1659 HydrophobicContact CE1-CG1 4Å; F1106-A1660 HydrophobicContact CB-CB 3.76Å; F1106-A1660 HydrophobicContact CD1-CB 3.8Å; F1106-A1660 HydrophobicContact CD2-CB 3.63Å; F1106-A1660 HydrophobicContact CE1-CB 4.33Å; F1106-A1660 HydrophobicContact CE2-CB 4.21Å; F1106-A1660 HydrophobicContact CG-CB 3.44Å; F1106-A1660 VanDerWaalsContact CG-CB 3.44Å; F1106-I1663 HydrophobicContact CE1-CD1 3.81Å; F1106-I1663 HydrophobicContact CZ-CD1 3.44Å; F1106-I1663 VanDerWaalsContact CZ-CD1 3.44Å; F1106-Y1739 HydrophobicContact CD1-CE1 4.39Å; F1106-Y1739 HydrophobicContact CD1-CE2 4.23Å; F1106-Y1739 AromaticContact CD1-CZ 3.86Å; F1106-Y1739 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1739 HydrophobicContact CE1-CD2 4.3Å; F1106-Y1739 AromaticContact CE1-CE1 3.55Å; F1106-Y1739 HydrophobicContact CE1-CE1 3.55Å; F1106-Y1739 AromaticContact CE1-CE2 3.79Å; F1106-Y1739 HydrophobicContact CE1-CE2 3.79Å; F1106-Y1739 HydrophobicContact CE1-CG 4.46Å; F1106-Y1739 AromaticContact CE1-CZ 3.39Å; F1106-Y1739 HydrophobicContact CZ-CD1 4.29Å; F1106-Y1739 AromaticContact CZ-CE1 3.84Å; F1106-Y1739 HydrophobicContact CZ-CE1 3.84Å |
| 1107 | N | 83.7 | Confident | 83.8 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 18% | 0.182 | 13% | 0.125 | C | C | . | . | trans | -122.1 | 25 | 176.1 | -85.4 | -61.4 | 0 | 0 | 0 | 112.1 | F1103 R1104 R1109 T1110 E1111 | F1103-N1107 WeakPolarHBondContact O-CB 3.34Å; F1103-N1107 PolarHBondContact O-N 3.35Å; F1103-N1107 VanDerWaalsContact O-N 3.11Å; F1103-N1107 PolarHBondContact O-ND2 3.45Å; R1104-N1107 PolarHBondContact O-N 2.87Å; R1104-N1107 VanDerWaalsContact O-N 3.08Å; N1107-R1109 VanDerWaalsContact C-N 3.33Å; N1107-R1109 PolarHBondContact O-N 2.83Å; N1107-T1110 WeakPolarHBondContact CB-OG1 3.34Å; N1107-T1110 PolarHBondContact O-N 3.33Å; N1107-T1110 PolarHBondContact O-OG1 3.35Å; N1107-T1110 PolarHBondContact OD1-OG1 3.07Å; N1107-E1111 VanDerWaalsContact O-CB 3.31Å; N1107-E1111 WeakPolarHBondContact O-CB 3.19Å; N1107-E1111 WeakPolarHBondContact O-CG 3.36Å; N1107-E1111 PolarHBondContact O-N 3.45Å | ||
| 1108 | Q | 80.7 | Confident | 83.8 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -36 | -171.8 | -65.3 | -177.3 | 38.4 | 0 | 0 | 112.7 | N1105 L1112 | N1105-Q1108 WeakPolarHBondContact O-CG 3.35Å; N1105-Q1108 PolarHBondContact O-NE2 3.07Å; N1105-Q1108 PolarHBondContact OD1-NE2 3.33Å; Q1108-L1112 WeakPolarHBondContact O-CB 3.48Å; Q1108-L1112 PolarHBondContact O-N 2.74Å |
| 1109 | R | 83.5 | Confident | 83.7 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.5 | -41.8 | 179.2 | -70.3 | 174.5 | 170 | 94.8 | -11.5 | 111.9 | F1047 N1107 L1112 I1113 F1649 M1652 A1653 E1656 | F1047-R1109 HydrophobicContact CE1-CG 4.39Å; F1047-R1109 HydrophobicContact CE2-CG 3.77Å; F1047-R1109 HydrophobicContact CZ-CG 3.58Å; N1107-R1109 VanDerWaalsContact C-N 3.33Å; N1107-R1109 PolarHBondContact O-N 2.83Å; R1109-L1112 PolarHBondContact O-N 3.28Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.09Å; R1109-I1113 PolarHBondContact O-N 2.92Å; R1109-F1649 HydrophobicContact CB-CB 4.33Å; R1109-F1649 HydrophobicContact CB-CG 4.47Å; R1109-M1652 PolarHBondContact NH2-SD 3.49Å; R1109-M1652 VanDerWaalsContact NH2-SD 3.36Å; R1109-A1653 HydrophobicContact CB-CB 4.4Å; R1109-E1656 IonicContact CZ-OE1 3.96Å; R1109-E1656 IonicContact NH1-OE1 3.6Å; R1109-E1656 PolarHBondContact NH1-OE1 2.97Å; R1109-E1656 IonicContact NH1-OE2 2.93Å |
| 1110 | T | 82.8 | Confident | 83.5 | Confident | 59 Ų | 59 | 29.2 Ų | 29.2 | 36% | 0.362 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68 | -41.3 | 176.3 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | N1107 L1112 I1113 H1114 A1653 | N1107-T1110 WeakPolarHBondContact CB-OG1 3.34Å; N1107-T1110 PolarHBondContact O-N 3.33Å; N1107-T1110 PolarHBondContact O-OG1 3.35Å; N1107-T1110 PolarHBondContact OD1-OG1 3.07Å; T1110-L1112 PolarHBondContact O-N 2.86Å; T1110-I1113 PolarHBondContact O-N 3Å; T1110-H1114 WeakPolarHBondContact O-CB 3.21Å; T1110-H1114 PolarHBondContact O-N 2.79Å; T1110-A1653 HydrophobicContact CG2-CB 3.62Å |
| 1111 | E | 85.5 | Confident | 83.3 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 23% | 0.229 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.9 | -77.7 | -168.6 | -172.6 | 0 | 0 | 111.7 | L1005 R1104 N1107 A1115 | L1005-E1111 HydrophobicContact CD1-CB 3.64Å; R1104-E1111 WeakPolarHBondContact CB-OE1 3.48Å; R1104-E1111 WeakPolarHBondContact CG-OE1 3.46Å; R1104-E1111 IonicContact CZ-OE1 3.17Å; R1104-E1111 IonicContact CZ-OE2 3.73Å; R1104-E1111 IonicContact NE-OE1 2.78Å; R1104-E1111 PolarHBondContact NE-OE1 3.49Å; R1104-E1111 IonicContact NE-OE2 2.92Å; R1104-E1111 IonicContact NH2-OE1 2.79Å; R1104-E1111 IonicContact NH2-OE2 3.88Å; R1104-E1111 PolarHBondContact NH2-OE2 2.87Å; N1107-E1111 VanDerWaalsContact O-CB 3.31Å; N1107-E1111 WeakPolarHBondContact O-CB 3.19Å; N1107-E1111 WeakPolarHBondContact O-CG 3.36Å; N1107-E1111 PolarHBondContact O-N 3.45Å; E1111-A1115 VanDerWaalsContact O-CB 3.26Å; E1111-A1115 WeakPolarHBondContact O-CB 3.21Å; E1111-A1115 PolarHBondContact O-N 3.15Å |
| 1112 | L | 85.8 | Confident | 83 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 177.5 | 178.1 | 62.3 | 0 | 0 | 0 | 112 | R1008 I1009 I1046 F1047 Q1108 R1109 T1110 A1115 L1116 F1649 | R1008-L1112 HydrophobicContact CB-CD1 3.94Å; R1008-L1112 HydrophobicContact CB-CD2 4.49Å; I1009-L1112 HydrophobicContact CG1-CD1 3.86Å; I1046-L1112 HydrophobicContact CG2-CD2 4.06Å; F1047-L1112 HydrophobicContact CE2-CD2 4.29Å; F1047-L1112 HydrophobicContact CZ-CD2 4.01Å; Q1108-L1112 WeakPolarHBondContact O-CB 3.48Å; Q1108-L1112 PolarHBondContact O-N 2.74Å; R1109-L1112 PolarHBondContact O-N 3.28Å; T1110-L1112 PolarHBondContact O-N 2.86Å; L1112-A1115 PolarHBondContact O-N 3.36Å; L1112-L1116 HydrophobicContact CD1-CD1 4.23Å; L1112-L1116 HydrophobicContact CD1-CG 4.22Å; L1112-L1116 HydrophobicContact CG-CD1 4.06Å; L1112-L1116 HydrophobicContact CG-CG 4.47Å; L1112-L1116 WeakPolarHBondContact O-CB 3.13Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.49Å; L1112-F1649 HydrophobicContact CD2-CE2 4.29Å |
| 1113 | I | 84.9 | Confident | 82.3 | Confident | 9 Ų | 9 | 30.3 Ų | 30.3 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 178.8 | -71.6 | -61.8 | 0 | 0 | 0 | 111.4 | R1109 T1110 A1115 L1116 K1117 L1645 D1646 F1649 | R1109-I1113 WeakPolarHBondContact O-CG1 3.09Å; R1109-I1113 PolarHBondContact O-N 2.92Å; T1110-I1113 PolarHBondContact O-N 3Å; I1113-A1115 VanDerWaalsContact C-N 3.25Å; I1113-A1115 PolarHBondContact O-N 2.99Å; I1113-L1116 HydrophobicContact CD1-CD1 4.49Å; I1113-L1116 PolarHBondContact O-N 2.84Å; I1113-K1117 HydrophobicContact CG2-CD 4.27Å; I1113-K1117 WeakPolarHBondContact O-CG 3.35Å; I1113-K1117 PolarHBondContact O-N 3.14Å; I1113-L1645 HydrophobicContact CD1-CB 3.84Å; I1113-D1646 HydrophobicContact CD1-CB 4.17Å; I1113-D1646 HydrophobicContact CG1-CB 4.48Å; I1113-D1646 HydrophobicContact CG2-CB 3.87Å; I1113-F1649 HydrophobicContact CD1-CD2 3.83Å; I1113-F1649 HydrophobicContact CD1-CE2 4.43Å; I1113-F1649 HydrophobicContact CG1-CD2 3.95Å |
| 1114 | H | 85 | Confident | 81.7 | Confident | 116 Ų | 116 | 31.8 Ų | 31.8 | 54% | 0.537 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.3 | -175.5 | -100 | 0 | 0 | 0 | 111.1 | T1110 Q1118 | T1110-H1114 WeakPolarHBondContact O-CB 3.21Å; T1110-H1114 PolarHBondContact O-N 2.79Å; H1114-Q1118 PolarHBondContact CE1-NE2 3.06Å; H1114-Q1118 WeakPolarHBondContact O-CG 3.43Å; H1114-Q1118 PolarHBondContact O-N 3.17Å |
| 1115 | A | 83.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y846 L1005 I1009 E1111 L1112 I1113 K1117 Q1118 V1119 | Y846-A1115 HydrophobicContact CE1-CB 3.95Å; L1005-A1115 HydrophobicContact CD1-CB 4.44Å; L1005-A1115 HydrophobicContact CD2-CB 3.82Å; L1005-A1115 HydrophobicContact CG-CB 4.48Å; I1009-A1115 HydrophobicContact CD1-CB 3.73Å; I1009-A1115 HydrophobicContact CG1-CB 4.42Å; E1111-A1115 VanDerWaalsContact O-CB 3.26Å; E1111-A1115 WeakPolarHBondContact O-CB 3.21Å; E1111-A1115 PolarHBondContact O-N 3.15Å; L1112-A1115 PolarHBondContact O-N 3.36Å; I1113-A1115 VanDerWaalsContact C-N 3.25Å; I1113-A1115 PolarHBondContact O-N 2.99Å; A1115-K1117 VanDerWaalsContact C-N 3.34Å; A1115-K1117 PolarHBondContact O-N 3.43Å; A1115-Q1118 WeakPolarHBondContact O-CB 3.23Å; A1115-Q1118 PolarHBondContact O-N 3.03Å; A1115-Q1118 VanDerWaalsContact O-N 3.07Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.32Å; A1115-V1119 PolarHBondContact O-N 3.21Å |
| 1116 | L | 84.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 176.6 | -75.2 | 171 | 0 | 0 | 0 | 112.3 | I1009 V1012 L1112 I1113 Q1118 V1119 F1638 V1642 L1645 | I1009-L1116 HydrophobicContact CG1-CD2 4.45Å; I1009-L1116 HydrophobicContact CG2-CD2 4.28Å; V1012-L1116 HydrophobicContact CB-CD2 4.43Å; V1012-L1116 HydrophobicContact CG1-CD1 4.34Å; V1012-L1116 HydrophobicContact CG1-CD2 4.08Å; L1112-L1116 HydrophobicContact CD1-CD1 4.23Å; L1112-L1116 HydrophobicContact CD1-CG 4.22Å; L1112-L1116 HydrophobicContact CG-CD1 4.06Å; L1112-L1116 HydrophobicContact CG-CG 4.47Å; L1112-L1116 WeakPolarHBondContact O-CB 3.13Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.49Å; I1113-L1116 HydrophobicContact CD1-CD1 4.49Å; I1113-L1116 PolarHBondContact O-N 2.84Å; L1116-Q1118 PolarHBondContact O-N 3.25Å; L1116-V1119 WeakPolarHBondContact O-CB 3.49Å; L1116-V1119 PolarHBondContact O-N 3.33Å; L1116-V1119 VanDerWaalsContact O-N 3.09Å; L1116-F1638 HydrophobicContact CD2-CE2 4.26Å; L1116-F1638 HydrophobicContact CD2-CZ 4.14Å; L1116-V1642 HydrophobicContact CB-CG1 3.97Å; L1116-V1642 HydrophobicContact CB-CG2 3.91Å; L1116-V1642 HydrophobicContact CD1-CG2 4.47Å; L1116-L1645 HydrophobicContact CD1-CD1 4.45Å |
| 1117 | K | 82.2 | Confident | 80.4 | Confident | 120 Ų | 120 | 41.3 Ų | 41.3 | 52% | 0.522 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -24.5 | 174.6 | -72.9 | 177.7 | -179.6 | 174.6 | 0 | 112.9 | I1113 A1115 V1642 D1646 | I1113-K1117 HydrophobicContact CG2-CD 4.27Å; I1113-K1117 WeakPolarHBondContact O-CG 3.35Å; I1113-K1117 PolarHBondContact O-N 3.14Å; A1115-K1117 VanDerWaalsContact C-N 3.34Å; A1115-K1117 PolarHBondContact O-N 3.43Å; K1117-V1642 HydrophobicContact CG-CG1 3.77Å; K1117-D1646 IonicContact NZ-OD2 3.64Å; K1117-D1646 PolarHBondContact NZ-OD2 3.16Å |
| 1118 | Q | 82.3 | Confident | 79.9 | Confident | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -87.7 | -14 | 176.4 | -67.1 | -177.2 | -6.2 | 0 | 0 | 113.5 | Y846 H1114 A1115 L1116 Q1120 N1253 | Y846-Q1118 HydrophobicContact CD1-CB 3.56Å; Y846-Q1118 HydrophobicContact CE1-CB 3.85Å; Y846-Q1118 HydrophobicContact CG-CB 4.14Å; Y846-Q1118 PolarHBondContact OH-OE1 3.47Å; H1114-Q1118 PolarHBondContact CE1-NE2 3.06Å; H1114-Q1118 WeakPolarHBondContact O-CG 3.43Å; H1114-Q1118 PolarHBondContact O-N 3.17Å; A1115-Q1118 WeakPolarHBondContact O-CB 3.23Å; A1115-Q1118 PolarHBondContact O-N 3.03Å; A1115-Q1118 VanDerWaalsContact O-N 3.07Å; L1116-Q1118 PolarHBondContact O-N 3.25Å; Q1118-Q1120 PolarHBondContact O-N 3.29Å; Q1118-N1253 PolarHBondContact O-ND2 2.99Å |
| 1119 | V | 82.4 | Confident | 79.7 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | trans | -67 | 125.4 | -178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | Y846 R848 I1009 A1115 L1116 F1638 | Y846-V1119 HydrophobicContact CD1-CG2 4.44Å; Y846-V1119 CarbonylContact O-C 3.49Å; Y846-V1119 VanDerWaalsContact O-CA 3.22Å; Y846-V1119 WeakPolarHBondContact O-CA 3.49Å; R848-V1119 HydrophobicContact CG-CG1 4.3Å; I1009-V1119 HydrophobicContact CG2-CG2 3.97Å; A1115-V1119 WeakPolarHBondContact O-CG2 3.32Å; A1115-V1119 PolarHBondContact O-N 3.21Å; L1116-V1119 WeakPolarHBondContact O-CB 3.49Å; L1116-V1119 PolarHBondContact O-N 3.33Å; L1116-V1119 VanDerWaalsContact O-N 3.09Å; V1119-F1638 HydrophobicContact CB-CE1 4.24Å; V1119-F1638 HydrophobicContact CB-CZ 4.04Å; V1119-F1638 HydrophobicContact CG1-CE1 4.38Å; V1119-F1638 HydrophobicContact CG1-CZ 4.14Å | ||
| 1120 | Q | 80.3 | Confident | 79.7 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.1 | 171.3 | -177.6 | 178.9 | 8 | 0 | 0 | 109.3 | Y846 R848 Q1118 L1122 R1246 L1250 | Y846-Q1120 PolarHBondContact O-N 2.85Å; R848-Q1120 PolarHBondContact N-O 3.48Å; Q1118-Q1120 PolarHBondContact O-N 3.29Å; Q1120-L1122 HydrophobicContact CG-CD2 4.32Å; Q1120-R1246 PolarHBondContact NE2-O 3.05Å; Q1120-L1250 VanDerWaalsContact OE1-N 3.08Å |
| 1121 | L | 78.7 | Confident | 79.6 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.9 | 178.4 | -167.3 | 72.4 | 0 | 0 | 0 | 111.2 | R848 W850 I853 V1123 V1634 | R848-L1121 HydrophobicContact CB-CD1 4.39Å; W850-L1121 HydrophobicContact CB-CD1 4.34Å; W850-L1121 HydrophobicContact CB-CG 4.47Å; W850-L1121 HydrophobicContact CD2-CD1 4.46Å; W850-L1121 HydrophobicContact CD2-CD2 4.11Å; W850-L1121 HydrophobicContact CE3-CD1 3.51Å; W850-L1121 HydrophobicContact CE3-CD2 3.35Å; W850-L1121 HydrophobicContact CE3-CG 3.9Å; W850-L1121 HydrophobicContact CZ3-CD1 4.2Å; W850-L1121 HydrophobicContact CZ3-CD2 3.69Å; I853-L1121 HydrophobicContact CD1-CD1 3.72Å; L1121-V1123 HydrophobicContact CD2-CG2 3.95Å; L1121-V1123 HydrophobicContact CG-CG2 4.07Å; L1121-V1634 HydrophobicContact CD2-CG1 3.71Å |
| 1122 | L | 78.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.3 | -176.2 | -59 | 162.7 | 0 | 0 | 0 | 109.1 | A847 R848 L849 W850 Q1120 D1127 Y1131 L1250 | A847-L1122 HydrophobicContact CB-CD1 4.46Å; R848-L1122 PolarHBondContact O-N 3.4Å; L849-L1122 HydrophobicContact CD2-CB 3.93Å; L849-L1122 HydrophobicContact CD2-CD1 4.09Å; W850-L1122 PolarHBondContact N-O 3.27Å; Q1120-L1122 HydrophobicContact CG-CD2 4.32Å; L1122-D1127 HydrophobicContact CB-CB 4.03Å; L1122-D1127 HydrophobicContact CD2-CB 3.86Å; L1122-Y1131 HydrophobicContact CD1-CD2 3.68Å; L1122-Y1131 HydrophobicContact CD1-CE2 4.46Å; L1122-Y1131 HydrophobicContact CD1-CG 3.8Å; L1122-L1250 HydrophobicContact CD1-CD1 3.9Å; L1122-L1250 HydrophobicContact CD2-CD1 4.06Å |
| 1123 | V | 72.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 35% | 0.345 | 25% | 0.246 | S | C | . | . | trans | -111.3 | -41.1 | -172.5 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | W850 L1121 I1635 | W850-V1123 HydrophobicContact CB-CG2 4.11Å; W850-V1123 HydrophobicContact CG-CG2 4.47Å; L1121-V1123 HydrophobicContact CD2-CG2 3.95Å; L1121-V1123 HydrophobicContact CG-CG2 4.07Å; V1123-I1635 HydrophobicContact CG2-CG1 4.3Å | ||
| 1124 | S | 72.6 | Confident | 78.8 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -73.5 | 151.3 | -173.7 | 77.6 | 0 | 0 | 0 | 0 | 112.2 | T1126 D1127 V1128 | S1124-T1126 PolarHBondContact O-N 3.17Å; S1124-T1126 PolarHBondContact OG-OG1 3.11Å; S1124-D1127 WeakPolarHBondContact CB-OD2 3.48Å; S1124-D1127 PolarHBondContact N-OD2 3.44Å; S1124-D1127 WeakPolarHBondContact O-CB 3.39Å; S1124-D1127 PolarHBondContact O-N 3.23Å; S1124-D1127 PolarHBondContact OG-N 2.68Å; S1124-D1127 PolarHBondContact OG-OD1 3.28Å; S1124-D1127 PolarHBondContact OG-OD2 2.97Å; S1124-V1128 WeakPolarHBondContact O-CG2 3.27Å; S1124-V1128 PolarHBondContact O-N 3.25Å |
| 1125 | Q | 72.4 | Confident | 78.4 | Confident | 141 Ų | 141 | 46.3 Ų | 46.3 | 66% | 0.659 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.8 | -24.8 | -178.4 | -158.5 | 157.1 | 6 | 0 | 0 | 112.9 | R1129 | Q1125-R1129 WeakPolarHBondContact O-CG 3.42Å; Q1125-R1129 PolarHBondContact O-N 3.38Å |
| 1126 | T | 74.4 | Confident | 78 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -43 | 169.1 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | S1124 V1128 R1129 N1130 | S1124-T1126 PolarHBondContact O-N 3.17Å; S1124-T1126 PolarHBondContact OG-OG1 3.11Å; T1126-V1128 VanDerWaalsContact C-N 3.32Å; T1126-V1128 PolarHBondContact O-N 3.14Å; T1126-R1129 PolarHBondContact O-N 3.37Å; T1126-N1130 VanDerWaalsContact O-CG 3.25Å; T1126-N1130 PolarHBondContact O-N 3.43Å; T1126-N1130 PolarHBondContact O-OD1 3.11Å |
| 1127 | D | 73.3 | Confident | 77.9 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 177.8 | -60.9 | -29.8 | 0 | 0 | 0 | 111.5 | L1122 S1124 R1129 N1130 Y1131 | L1122-D1127 HydrophobicContact CB-CB 4.03Å; L1122-D1127 HydrophobicContact CD2-CB 3.86Å; S1124-D1127 WeakPolarHBondContact CB-OD2 3.48Å; S1124-D1127 PolarHBondContact N-OD2 3.44Å; S1124-D1127 WeakPolarHBondContact O-CB 3.39Å; S1124-D1127 PolarHBondContact O-N 3.23Å; S1124-D1127 PolarHBondContact OG-N 2.68Å; S1124-D1127 PolarHBondContact OG-OD1 3.28Å; S1124-D1127 PolarHBondContact OG-OD2 2.97Å; D1127-R1129 PolarHBondContact O-N 3.21Å; D1127-N1130 PolarHBondContact O-N 3.09Å; D1127-Y1131 WeakPolarHBondContact O-CB 3.39Å; D1127-Y1131 PolarHBondContact O-N 3.5Å |
| 1128 | V | 72.6 | Confident | 77.8 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | L849 S1124 T1126 Q1132 | L849-V1128 HydrophobicContact CD2-CB 4.11Å; L849-V1128 HydrophobicContact CD2-CG1 4.1Å; L849-V1128 HydrophobicContact CD2-CG2 3.81Å; S1124-V1128 WeakPolarHBondContact O-CG2 3.27Å; S1124-V1128 PolarHBondContact O-N 3.25Å; T1126-V1128 VanDerWaalsContact C-N 3.32Å; T1126-V1128 PolarHBondContact O-N 3.14Å; V1128-Q1132 HydrophobicContact CG1-CG 4.42Å; V1128-Q1132 WeakPolarHBondContact O-CB 3.38Å; V1128-Q1132 VanDerWaalsContact O-CG 3.26Å; V1128-Q1132 WeakPolarHBondContact O-CG 3.37Å; V1128-Q1132 PolarHBondContact O-N 2.77Å |
| 1129 | R | 77.6 | Confident | 77.3 | Confident | 143 Ų | 143 | 43 Ų | 43 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 177.4 | -72.7 | 177 | -179.5 | 169.2 | 0.8 | 111.3 | Q1125 T1126 D1127 Q1132 Q1133 | Q1125-R1129 WeakPolarHBondContact O-CG 3.42Å; Q1125-R1129 PolarHBondContact O-N 3.38Å; T1126-R1129 PolarHBondContact O-N 3.37Å; D1127-R1129 PolarHBondContact O-N 3.21Å; R1129-Q1132 PolarHBondContact O-N 3.39Å; R1129-Q1133 VanDerWaalsContact O-CB 3.28Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.49Å; R1129-Q1133 PolarHBondContact O-N 3.19Å |
| 1130 | N | 82.4 | Confident | 77.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 179 | -69.5 | -7.9 | 0 | 0 | 0 | 111.7 | T1126 D1127 Q1133 V1134 L1235 N1247 L1250 | T1126-N1130 VanDerWaalsContact O-CG 3.25Å; T1126-N1130 PolarHBondContact O-N 3.43Å; T1126-N1130 PolarHBondContact O-OD1 3.11Å; D1127-N1130 PolarHBondContact O-N 3.09Å; N1130-Q1133 PolarHBondContact O-N 2.82Å; N1130-V1134 WeakPolarHBondContact O-CB 3.47Å; N1130-V1134 VanDerWaalsContact O-CG2 3.27Å; N1130-V1134 WeakPolarHBondContact O-CG2 3.37Å; N1130-V1134 PolarHBondContact O-N 2.83Å; N1130-L1235 HydrophobicContact CB-CD2 3.97Å; N1130-N1247 PolarHBondContact ND2-OD1 3.43Å; N1130-L1250 HydrophobicContact CB-CD2 4.25Å |
| 1131 | Y | 80.5 | Confident | 77.3 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.9 | 171.8 | -94.8 | 0 | 0 | 0 | 112.4 | A847 L849 L1122 D1127 Q1133 V1134 H1135 L1250 M1254 | A847-Y1131 HydrophobicContact CB-CD2 4.35Å; A847-Y1131 HydrophobicContact CB-CE2 4.04Å; L849-Y1131 HydrophobicContact CD1-CD1 3.56Å; L849-Y1131 HydrophobicContact CD1-CE1 3.6Å; L849-Y1131 HydrophobicContact CD2-CD1 4.06Å; L849-Y1131 HydrophobicContact CD2-CG 4.38Å; L849-Y1131 HydrophobicContact CG-CD1 3.84Å; L849-Y1131 HydrophobicContact CG-CE1 4.01Å; L849-Y1131 HydrophobicContact CG-CG 4.45Å; L1122-Y1131 HydrophobicContact CD1-CD2 3.68Å; L1122-Y1131 HydrophobicContact CD1-CE2 4.46Å; L1122-Y1131 HydrophobicContact CD1-CG 3.8Å; D1127-Y1131 WeakPolarHBondContact O-CB 3.39Å; D1127-Y1131 PolarHBondContact O-N 3.5Å; Y1131-Q1133 VanDerWaalsContact C-N 3.27Å; Y1131-Q1133 PolarHBondContact O-N 3.21Å; Y1131-V1134 PolarHBondContact O-N 3.26Å; Y1131-H1135 VanDerWaalsContact O-CB 3.29Å; Y1131-H1135 WeakPolarHBondContact O-CB 3.31Å; Y1131-H1135 PolarHBondContact O-N 3.32Å; Y1131-L1250 HydrophobicContact CD2-CD1 3.93Å; Y1131-M1254 HydrophobicContact CD2-CE 4.44Å; Y1131-M1254 HydrophobicContact CD2-SD 4.07Å; Y1131-M1254 HydrophobicContact CE2-CE 3.97Å; Y1131-M1254 HydrophobicContact CE2-SD 3.52Å; Y1131-M1254 VanDerWaalsContact CE2-SD 3.52Å |
| 1132 | Q | 77.5 | Confident | 77.1 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 178.2 | -73.2 | -179.9 | 3.7 | 0 | 0 | 111.7 | V1128 R1129 R1136 | V1128-Q1132 HydrophobicContact CG1-CG 4.42Å; V1128-Q1132 WeakPolarHBondContact O-CB 3.38Å; V1128-Q1132 VanDerWaalsContact O-CG 3.26Å; V1128-Q1132 WeakPolarHBondContact O-CG 3.37Å; V1128-Q1132 PolarHBondContact O-N 2.77Å; R1129-Q1132 PolarHBondContact O-N 3.39Å; Q1132-R1136 WeakPolarHBondContact O-CG 3.37Å; Q1132-R1136 PolarHBondContact O-N 3.48Å |
| 1133 | Q | 80.6 | Confident | 76.9 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -50.1 | 176.6 | -175.1 | 59.3 | 32.2 | 0 | 0 | 111.8 | R1129 N1130 Y1131 H1135 R1136 D1137 | R1129-Q1133 VanDerWaalsContact O-CB 3.28Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.49Å; R1129-Q1133 PolarHBondContact O-N 3.19Å; N1130-Q1133 PolarHBondContact O-N 2.82Å; Y1131-Q1133 VanDerWaalsContact C-N 3.27Å; Y1131-Q1133 PolarHBondContact O-N 3.21Å; Q1133-H1135 VanDerWaalsContact C-N 3.33Å; Q1133-H1135 PolarHBondContact O-N 3.44Å; Q1133-R1136 PolarHBondContact O-N 3.11Å; Q1133-D1137 VanDerWaalsContact NE2-CG 3.32Å; Q1133-D1137 PolarHBondContact NE2-OD1 3.25Å; Q1133-D1137 PolarHBondContact NE2-OD2 2.67Å; Q1133-D1137 WeakPolarHBondContact O-CB 3.3Å; Q1133-D1137 PolarHBondContact O-N 3.1Å |
| 1134 | V | 81.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 178.7 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | N1130 Y1131 R1136 D1137 L1138 L1235 L1251 M1254 V1256 | N1130-V1134 WeakPolarHBondContact O-CB 3.47Å; N1130-V1134 VanDerWaalsContact O-CG2 3.27Å; N1130-V1134 WeakPolarHBondContact O-CG2 3.37Å; N1130-V1134 PolarHBondContact O-N 2.83Å; Y1131-V1134 PolarHBondContact O-N 3.26Å; V1134-R1136 PolarHBondContact O-N 2.94Å; V1134-D1137 PolarHBondContact O-N 3.49Å; V1134-L1138 WeakPolarHBondContact O-CB 3.39Å; V1134-L1138 PolarHBondContact O-N 2.84Å; V1134-L1235 HydrophobicContact CG2-CD1 3.88Å; V1134-L1251 HydrophobicContact CG1-CD2 3.89Å; V1134-L1251 HydrophobicContact CG2-CD2 3.84Å; V1134-M1254 HydrophobicContact CG1-CB 4.32Å; V1134-M1254 HydrophobicContact CG1-CG 4.35Å; V1134-V1256 HydrophobicContact CG1-CG2 3.77Å |
| 1135 | H | 76.7 | Confident | 77.2 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.6 | -176.1 | 65.7 | 0 | 0 | 0 | 112.3 | Q872 Y1131 Q1133 L1139 M1254 | Q872-H1135 PolarHBondContact NE2-NE2 3.14Å; Q872-H1135 PolarHBondContact OE1-NE2 2.94Å; Y1131-H1135 VanDerWaalsContact O-CB 3.29Å; Y1131-H1135 WeakPolarHBondContact O-CB 3.31Å; Y1131-H1135 PolarHBondContact O-N 3.32Å; Q1133-H1135 VanDerWaalsContact C-N 3.33Å; Q1133-H1135 PolarHBondContact O-N 3.44Å; H1135-L1139 PolarHBondContact O-N 3.41Å; H1135-M1254 HydrophobicContact CB-CE 3.83Å |
| 1136 | R | 74.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 38 Ų | 38 | 26% | 0.264 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -52 | 175.3 | -71.9 | 171.3 | -157.9 | 174.1 | 6.5 | 111.2 | Q1132 Q1133 V1134 L1138 L1139 L1140 M1203 | Q1132-R1136 WeakPolarHBondContact O-CG 3.37Å; Q1132-R1136 PolarHBondContact O-N 3.48Å; Q1133-R1136 PolarHBondContact O-N 3.11Å; V1134-R1136 PolarHBondContact O-N 2.94Å; R1136-L1138 VanDerWaalsContact C-N 3.28Å; R1136-L1138 PolarHBondContact O-N 3.38Å; R1136-L1139 PolarHBondContact O-N 3.17Å; R1136-L1140 WeakPolarHBondContact O-CG 3.37Å; R1136-L1140 PolarHBondContact O-N 3.44Å; R1136-L1140 VanDerWaalsContact O-N 3.09Å; R1136-M1203 HydrophobicContact CG-CE 4.07Å |
| 1137 | D | 82.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | -177.6 | -75.9 | -19.1 | 0 | 0 | 0 | 111.5 | Q1133 V1134 L1140 L1141 I1228 R1231 W1232 | Q1133-D1137 VanDerWaalsContact NE2-CG 3.32Å; Q1133-D1137 PolarHBondContact NE2-OD1 3.25Å; Q1133-D1137 PolarHBondContact NE2-OD2 2.67Å; Q1133-D1137 WeakPolarHBondContact O-CB 3.3Å; Q1133-D1137 PolarHBondContact O-N 3.1Å; V1134-D1137 PolarHBondContact O-N 3.49Å; D1137-L1140 PolarHBondContact O-N 3.09Å; D1137-L1141 WeakPolarHBondContact O-CB 3.46Å; D1137-L1141 PolarHBondContact O-N 3.38Å; D1137-I1228 HydrophobicContact CB-CG1 4.14Å; D1137-I1228 HydrophobicContact CB-CG2 3.92Å; D1137-R1231 IonicContact OD1-CZ 3.42Å; D1137-R1231 IonicContact OD1-NE 2.94Å; D1137-R1231 IonicContact OD1-NH2 3.7Å; D1137-R1231 PolarHBondContact OD1-NH2 3.42Å; D1137-R1231 IonicContact OD2-CZ 3.8Å; D1137-R1231 IonicContact OD2-NE 3.8Å; D1137-R1231 PolarHBondContact OD2-NE 2.66Å; D1137-R1231 IonicContact OD2-NH2 3.19Å; D1137-R1231 PolarHBondContact OD2-NH2 2.97Å; D1137-W1232 HydrophobicContact CB-CZ2 3.63Å |
| 1138 | L | 79.9 | Confident | 77.1 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 179.3 | -179.5 | 61.8 | 0 | 0 | 0 | 111.7 | V1134 R1136 L1141 K1142 W1232 M1254 V1256 A1259 | V1134-L1138 WeakPolarHBondContact O-CB 3.39Å; V1134-L1138 PolarHBondContact O-N 2.84Å; R1136-L1138 VanDerWaalsContact C-N 3.28Å; R1136-L1138 PolarHBondContact O-N 3.38Å; L1138-L1141 PolarHBondContact O-N 3.47Å; L1138-K1142 HydrophobicContact CD1-CD 4.49Å; L1138-K1142 HydrophobicContact CD1-CG 4.32Å; L1138-K1142 HydrophobicContact CG-CD 4.44Å; L1138-K1142 WeakPolarHBondContact O-CB 3.4Å; L1138-K1142 WeakPolarHBondContact O-CG 3.25Å; L1138-K1142 PolarHBondContact O-N 2.93Å; L1138-W1232 HydrophobicContact CB-CZ2 4.18Å; L1138-W1232 HydrophobicContact CD1-CH2 4.28Å; L1138-M1254 WeakPolarHBondContact CD2-O 3.34Å; L1138-V1256 HydrophobicContact CD1-CG2 4.25Å; L1138-V1256 HydrophobicContact CD2-CG2 4.32Å; L1138-A1259 HydrophobicContact CD1-CB 3.55Å |
| 1139 | L | 72.8 | Confident | 76.8 | Confident | 39 Ų | 39 | 37.7 Ų | 37.7 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.1 | -178.7 | 69.5 | 0 | 0 | 0 | 111.4 | H1135 R1136 N1143 F1207 | H1135-L1139 PolarHBondContact O-N 3.41Å; R1136-L1139 PolarHBondContact O-N 3.17Å; L1139-N1143 WeakPolarHBondContact O-CB 3.5Å; L1139-N1143 PolarHBondContact O-N 3.41Å; L1139-F1207 HydrophobicContact CD2-CE1 4.16Å; L1139-F1207 HydrophobicContact CD2-CE2 4.45Å; L1139-F1207 HydrophobicContact CD2-CZ 3.5Å; L1139-F1207 VanDerWaalsContact CD2-CZ 3.5Å |
| 1140 | L | 79.2 | Confident | 76.3 | Confident | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.6 | -68.3 | 174.8 | 0 | 0 | 0 | 111.3 | R1136 D1137 N1143 L1144 L1206 L1210 L1224 I1228 | R1136-L1140 WeakPolarHBondContact O-CG 3.37Å; R1136-L1140 PolarHBondContact O-N 3.44Å; R1136-L1140 VanDerWaalsContact O-N 3.09Å; D1137-L1140 PolarHBondContact O-N 3.09Å; L1140-N1143 PolarHBondContact O-N 3.35Å; L1140-L1144 WeakPolarHBondContact O-CB 3.37Å; L1140-L1144 WeakPolarHBondContact O-CG 3.47Å; L1140-L1144 PolarHBondContact O-N 3.23Å; L1140-L1206 HydrophobicContact CD1-CD2 4.06Å; L1140-L1206 HydrophobicContact CD2-CD2 3.69Å; L1140-L1210 HydrophobicContact CD2-CD1 3.16Å; L1140-L1210 HydrophobicContact CD2-CG 4.49Å; L1140-L1224 HydrophobicContact CD1-CD1 4.48Å; L1140-L1224 HydrophobicContact CD1-CD2 4.44Å; L1140-I1228 HydrophobicContact CB-CD1 4Å; L1140-I1228 HydrophobicContact CD1-CD1 4.48Å |
| 1141 | L | 82.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -51 | 177.9 | 178.3 | 64.1 | 0 | 0 | 0 | 111 | D1137 L1138 N1143 L1144 T1145 L1225 F1229 W1232 A1259 F1263 | D1137-L1141 WeakPolarHBondContact O-CB 3.46Å; D1137-L1141 PolarHBondContact O-N 3.38Å; L1138-L1141 PolarHBondContact O-N 3.47Å; L1141-N1143 VanDerWaalsContact C-N 3.32Å; L1141-N1143 PolarHBondContact O-N 3.24Å; L1141-L1144 PolarHBondContact O-N 3.33Å; L1141-L1144 VanDerWaalsContact O-N 3.17Å; L1141-T1145 HydrophobicContact CD1-CG2 3.94Å; L1141-T1145 HydrophobicContact CG-CG2 4.21Å; L1141-T1145 WeakPolarHBondContact O-CG2 3.49Å; L1141-T1145 PolarHBondContact O-N 3.48Å; L1141-T1145 PolarHBondContact O-OG1 3.48Å; L1141-T1145 VanDerWaalsContact O-OG1 3.05Å; L1141-L1225 HydrophobicContact CD1-CD2 3.32Å; L1141-F1229 HydrophobicContact CD1-CE2 4.5Å; L1141-F1229 HydrophobicContact CD1-CZ 3.92Å; L1141-F1229 HydrophobicContact CD2-CE1 4.17Å; L1141-F1229 HydrophobicContact CD2-CZ 4.23Å; L1141-W1232 HydrophobicContact CB-CH2 4.17Å; L1141-W1232 HydrophobicContact CD2-CH2 3.52Å; L1141-W1232 HydrophobicContact CD2-CZ3 3.47Å; L1141-W1232 VanDerWaalsContact CD2-CZ3 3.47Å; L1141-W1232 HydrophobicContact CG-CH2 4.49Å; L1141-A1259 HydrophobicContact CD2-CB 4Å; L1141-F1263 HydrophobicContact CD1-CB 4.34Å; L1141-F1263 HydrophobicContact CD1-CD2 4.31Å; L1141-F1263 HydrophobicContact CD1-CG 4.36Å |
| 1142 | K | 75.7 | Confident | 75.1 | Confident | 50 Ų | 50 | 32.8 Ų | 32.8 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | -179.1 | -73.2 | -177 | 175.1 | -174.7 | 0 | 111.9 | L1138 T1145 E1146 A1259 | L1138-K1142 HydrophobicContact CD1-CD 4.49Å; L1138-K1142 HydrophobicContact CD1-CG 4.32Å; L1138-K1142 HydrophobicContact CG-CD 4.44Å; L1138-K1142 WeakPolarHBondContact O-CB 3.4Å; L1138-K1142 WeakPolarHBondContact O-CG 3.25Å; L1138-K1142 PolarHBondContact O-N 2.93Å; K1142-T1145 VanDerWaalsContact C-OG1 3.3Å; K1142-T1145 VanDerWaalsContact CA-OG1 3.23Å; K1142-T1145 WeakPolarHBondContact CA-OG1 3.49Å; K1142-T1145 PolarHBondContact O-N 3.39Å; K1142-T1145 PolarHBondContact O-OG1 2.82Å; K1142-E1146 WeakPolarHBondContact O-CB 3.37Å; K1142-E1146 WeakPolarHBondContact O-CG 3.38Å; K1142-E1146 PolarHBondContact O-N 3.43Å; K1142-A1259 HydrophobicContact CG-CB 3.85Å |
| 1143 | N | 73.9 | Confident | 74.2 | Confident | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.193 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 177 | -169.3 | -8.4 | 0 | 0 | 0 | 111.7 | L1139 L1140 L1141 E1146 K1147 | L1139-N1143 WeakPolarHBondContact O-CB 3.5Å; L1139-N1143 PolarHBondContact O-N 3.41Å; L1140-N1143 PolarHBondContact O-N 3.35Å; L1141-N1143 VanDerWaalsContact C-N 3.32Å; L1141-N1143 PolarHBondContact O-N 3.24Å; N1143-E1146 PolarHBondContact O-N 3.08Å; N1143-K1147 WeakPolarHBondContact O-CB 3.32Å; N1143-K1147 WeakPolarHBondContact O-CG 3.38Å; N1143-K1147 PolarHBondContact O-N 3.17Å; N1143-K1147 VanDerWaalsContact OD1-CD 3.26Å; N1143-K1147 WeakPolarHBondContact OD1-CD 3.1Å; N1143-K1147 WeakPolarHBondContact OD1-CE 3.3Å |
| 1144 | L | 75.9 | Confident | 72.8 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 177.2 | -71.2 | 175 | 0 | 0 | 0 | 113.1 | L1140 L1141 K1147 S1148 W1151 C1221 L1224 L1225 | L1140-L1144 WeakPolarHBondContact O-CB 3.37Å; L1140-L1144 WeakPolarHBondContact O-CG 3.47Å; L1140-L1144 PolarHBondContact O-N 3.23Å; L1141-L1144 PolarHBondContact O-N 3.33Å; L1141-L1144 VanDerWaalsContact O-N 3.17Å; L1144-K1147 CarbonylContact O-C 3.51Å; L1144-S1148 PolarHBondContact O-N 3.32Å; L1144-S1148 VanDerWaalsContact O-N 3.16Å; L1144-W1151 HydrophobicContact CB-CZ2 4.43Å; L1144-W1151 PolarHBondContact O-NE1 3.43Å; L1144-C1221 HydrophobicContact CD2-CB 4.08Å; L1144-L1224 HydrophobicContact CD1-CD2 4.22Å; L1144-L1225 HydrophobicContact CB-CD2 4.33Å; L1144-L1225 HydrophobicContact CD1-CD1 4.37Å; L1144-L1225 HydrophobicContact CD1-CD2 3.79Å; L1144-L1225 HydrophobicContact CD1-CG 3.82Å |
| 1145 | T | 75 | Confident | 70.7 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 175.3 | 48 | 0 | 0 | 0 | 0 | 111.9 | L1141 K1142 K1147 S1148 F1263 I1266 | L1141-T1145 HydrophobicContact CD1-CG2 3.94Å; L1141-T1145 HydrophobicContact CG-CG2 4.21Å; L1141-T1145 WeakPolarHBondContact O-CG2 3.49Å; L1141-T1145 PolarHBondContact O-N 3.48Å; L1141-T1145 PolarHBondContact O-OG1 3.48Å; L1141-T1145 VanDerWaalsContact O-OG1 3.05Å; K1142-T1145 VanDerWaalsContact C-OG1 3.3Å; K1142-T1145 VanDerWaalsContact CA-OG1 3.23Å; K1142-T1145 WeakPolarHBondContact CA-OG1 3.49Å; K1142-T1145 PolarHBondContact O-N 3.39Å; K1142-T1145 PolarHBondContact O-OG1 2.82Å; T1145-K1147 VanDerWaalsContact C-N 3.33Å; T1145-K1147 PolarHBondContact O-N 2.85Å; T1145-S1148 VanDerWaalsContact O-CB 3.26Å; T1145-S1148 WeakPolarHBondContact O-CB 3.46Å; T1145-S1148 PolarHBondContact O-N 3.37Å; T1145-S1148 PolarHBondContact O-OG 2.76Å; T1145-F1263 HydrophobicContact CG2-CB 3.48Å; T1145-F1263 VanDerWaalsContact CG2-CB 3.48Å; T1145-F1263 HydrophobicContact CG2-CD2 3.8Å; T1145-F1263 HydrophobicContact CG2-CG 4.12Å; T1145-I1266 HydrophobicContact CG2-CD1 4.08Å |
| 1146 | E | 72.2 | Confident | 68.4 | Low | 61 Ų | 61 | 52.3 Ų | 52.3 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 178.1 | -73 | 174.5 | -141.1 | 0 | 0 | 110.8 | R783 F785 Q839 K1142 N1143 S1148 | R783-E1146 IonicContact CZ-OE2 2.95Å; R783-E1146 IonicContact NH1-OE1 3.58Å; R783-E1146 IonicContact NH1-OE2 2.8Å; R783-E1146 PolarHBondContact NH1-OE2 2.81Å; F785-E1146 HydrophobicContact CE2-CB 4.38Å; F785-E1146 WeakPolarHBondContact CE2-O 3.39Å; Q839-E1146 PolarHBondContact NE2-OE1 3.42Å; K1142-E1146 WeakPolarHBondContact O-CB 3.37Å; K1142-E1146 WeakPolarHBondContact O-CG 3.38Å; K1142-E1146 PolarHBondContact O-N 3.43Å; N1143-E1146 PolarHBondContact O-N 3.08Å; E1146-S1148 VanDerWaalsContact C-N 3.33Å; E1146-S1148 PolarHBondContact O-N 2.95Å |
| 1147 | K | 71.9 | Confident | 66.2 | Low | 64 Ų | 64 | 55.6 Ų | 55.6 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 21.9 | 178.7 | -62.6 | -174.5 | -176.2 | -176.6 | 0 | 114.1 | F785 N1143 L1144 T1145 E1149 L1150 W1151 | F785-K1147 HydrophobicContact CD2-CG 4.23Å; F785-K1147 HydrophobicContact CE1-CG 4.49Å; F785-K1147 HydrophobicContact CE2-CG 4.01Å; F785-K1147 HydrophobicContact CZ-CG 4.14Å; N1143-K1147 WeakPolarHBondContact O-CB 3.32Å; N1143-K1147 WeakPolarHBondContact O-CG 3.38Å; N1143-K1147 PolarHBondContact O-N 3.17Å; N1143-K1147 VanDerWaalsContact OD1-CD 3.26Å; N1143-K1147 WeakPolarHBondContact OD1-CD 3.1Å; N1143-K1147 WeakPolarHBondContact OD1-CE 3.3Å; L1144-K1147 CarbonylContact O-C 3.51Å; T1145-K1147 VanDerWaalsContact C-N 3.33Å; T1145-K1147 PolarHBondContact O-N 2.85Å; K1147-E1149 VanDerWaalsContact C-N 3.25Å; K1147-E1149 PolarHBondContact O-N 3.33Å; K1147-L1150 HydrophobicContact CB-CD1 4.09Å; K1147-L1150 HydrophobicContact CB-CG 4.49Å; K1147-L1150 HydrophobicContact CD-CD1 4.28Å; K1147-L1150 HydrophobicContact CG-CD1 4.36Å; K1147-L1150 WeakPolarHBondContact O-CB 3.36Å; K1147-L1150 PolarHBondContact O-N 3.43Å; K1147-W1151 PolarHBondContact O-NE1 2.59Å |
| 1148 | S | 73.4 | Confident | 63.5 | Low | 18 Ų | 18 | 58.9 Ų | 58.9 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -34.5 | -173.8 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | L1144 T1145 E1146 L1150 W1151 V1152 | L1144-S1148 PolarHBondContact O-N 3.32Å; L1144-S1148 VanDerWaalsContact O-N 3.16Å; T1145-S1148 VanDerWaalsContact O-CB 3.26Å; T1145-S1148 WeakPolarHBondContact O-CB 3.46Å; T1145-S1148 PolarHBondContact O-N 3.37Å; T1145-S1148 PolarHBondContact O-OG 2.76Å; E1146-S1148 VanDerWaalsContact C-N 3.33Å; E1146-S1148 PolarHBondContact O-N 2.95Å; S1148-L1150 PolarHBondContact O-N 3.29Å; S1148-L1150 VanDerWaalsContact O-N 3.13Å; S1148-W1151 PolarHBondContact O-N 3.3Å; S1148-V1152 VanDerWaalsContact O-CB 3.27Å; S1148-V1152 WeakPolarHBondContact O-CB 3.43Å; S1148-V1152 VanDerWaalsContact O-CG2 3.26Å; S1148-V1152 WeakPolarHBondContact O-CG2 3.46Å; S1148-V1152 PolarHBondContact O-N 2.84Å |
| 1149 | E | 67.6 | Low | 60.8 | Low | 40 Ų | 40 | 64.5 Ų | 64.5 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -17.5 | 174.4 | 61.4 | -151.8 | -147.7 | 0 | 0 | 115.4 | Q784 F785 K1147 | Q784-E1149 PolarHBondContact OE1-OE1 3.13Å; F785-E1149 WeakPolarHBondContact CB-OE1 3.19Å; F785-E1149 WeakPolarHBondContact CD2-OE1 3.25Å; F785-E1149 PolarHBondContact N-OE1 2.85Å; K1147-E1149 VanDerWaalsContact C-N 3.25Å; K1147-E1149 PolarHBondContact O-N 3.33Å |
| 1150 | L | 65.9 | Low | 58.5 | Low | 67 Ų | 67 | 71.4 Ų | 71.4 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -87.9 | -26.7 | 179.8 | -59.4 | -178 | 0 | 0 | 0 | 113.5 | F785 K1147 S1148 | F785-L1150 HydrophobicContact CB-CD1 4.47Å; F785-L1150 HydrophobicContact CB-CD2 4.45Å; K1147-L1150 HydrophobicContact CB-CD1 4.09Å; K1147-L1150 HydrophobicContact CB-CG 4.49Å; K1147-L1150 HydrophobicContact CD-CD1 4.28Å; K1147-L1150 HydrophobicContact CG-CD1 4.36Å; K1147-L1150 WeakPolarHBondContact O-CB 3.36Å; K1147-L1150 PolarHBondContact O-N 3.43Å; S1148-L1150 PolarHBondContact O-N 3.29Å; S1148-L1150 VanDerWaalsContact O-N 3.13Å |
| 1151 | W | 71.8 | Confident | 55.8 | Low | 16 Ų | 16 | 80.1 Ų | 80.1 | 6% | 0.061 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -127.1 | -14.2 | -171.6 | 62.7 | -94.8 | 0 | 0 | 0 | 114.9 | L1144 K1147 S1148 S1218 C1221 R1222 L1225 F1263 M1276 | L1144-W1151 HydrophobicContact CB-CZ2 4.43Å; L1144-W1151 PolarHBondContact O-NE1 3.43Å; K1147-W1151 PolarHBondContact O-NE1 2.59Å; S1148-W1151 PolarHBondContact O-N 3.3Å; W1151-S1218 WeakPolarHBondContact O-CB 3.47Å; W1151-S1218 PolarHBondContact O-OG 3.06Å; W1151-C1221 HydrophobicContact CD2-CB 4.13Å; W1151-C1221 HydrophobicContact CE3-CB 4.25Å; W1151-C1221 HydrophobicContact CG-CB 4.36Å; W1151-R1222 HydrophobicContact CZ3-CG 4.43Å; W1151-L1225 HydrophobicContact CH2-CD1 3.53Å; W1151-L1225 HydrophobicContact CZ2-CD1 3.9Å; W1151-L1225 HydrophobicContact CZ3-CD1 4.26Å; W1151-F1263 HydrophobicContact CH2-CE2 4.31Å; W1151-M1276 HydrophobicContact CH2-SD 4.2Å; W1151-M1276 HydrophobicContact CZ3-SD 4.13Å |
| 1152 | V | 67.6 | Low | 52.9 | Low | 15 Ų | 15 | 91.8 Ų | 91.8 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -79.2 | 116.7 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | S1148 T1154 I1266 F1268 M1276 | S1148-V1152 VanDerWaalsContact O-CB 3.27Å; S1148-V1152 WeakPolarHBondContact O-CB 3.43Å; S1148-V1152 VanDerWaalsContact O-CG2 3.26Å; S1148-V1152 WeakPolarHBondContact O-CG2 3.46Å; S1148-V1152 PolarHBondContact O-N 2.84Å; V1152-T1154 PolarHBondContact O-N 3.47Å; V1152-I1266 HydrophobicContact CG2-CG2 4.22Å; V1152-F1268 HydrophobicContact CG1-CB 3.78Å; V1152-M1276 HydrophobicContact CG2-CE 4.43Å |
| 1153 | Y | 57.7 | Low | 50.4 | Low | 142 Ų | 142 | 93.8 Ų | 93.8 | 56% | 0.557 | 49% | 0.487 | S | S | * | . | trans | -65.4 | 131.7 | -171.9 | -98.5 | -86.2 | 0 | 0 | 0 | 112.8 | ||||
| 1154 | T | 51.9 | Low | 48 | Very low | 114 Ų | 114 | 99.7 Ų | 99.7 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | -125.7 | 115.8 | 159.2 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | V1152 | V1152-T1154 PolarHBondContact O-N 3.47Š| ||
| 1155 | N | 36.4 | Very low | 45.6 | Very low | 116 Ų | 116 | 107.3 Ų | 107.3 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | trans | 42.8 | 134.4 | 170 | -81.9 | -31.3 | 0 | 0 | 0 | 122.6 | T1157 | N1155-T1157 PolarHBondContact O-N 3.29Š| ||
| 1156 | K | 27.6 | Very low | 43.2 | Very low | 204 Ų | 204 | 115 Ų | 115 | 89% | 0.887 | 60% | 0.597 | S | S | * | * | trans | -29.5 | 111.9 | 165.9 | -66.9 | 173.2 | 175.6 | 176.5 | 0 | 115.4 | ||||
| 1157 | T | 28.7 | Very low | 40.8 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | trans | -128.6 | 120.5 | 143.5 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | N1155 | N1155-T1157 PolarHBondContact O-N 3.29Š| ||
| 1158 | G | 25.5 | Very low | 38.6 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | trans | 62.5 | 84.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q1160 | G1158-Q1160 VanDerWaalsContact C-N 3.27Å; G1158-Q1160 PolarHBondContact O-N 3.36Å | ||
| 1159 | S | 23.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 68% | 0.683 | S | S | * | * | trans | -61.5 | 86.7 | 154.9 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1160 | Q | 24 | Very low | 34.2 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -99 | 116.5 | 162.7 | -80.8 | -156.2 | -6.5 | 0 | 0 | 110.3 | G1158 R1162 | G1158-Q1160 VanDerWaalsContact C-N 3.27Å; G1158-Q1160 PolarHBondContact O-N 3.36Å; Q1160-R1162 PolarHBondContact O-N 3.37Å; Q1160-R1162 VanDerWaalsContact O-N 3.12Å | ||
| 1161 | K | 23 | Very low | 32.3 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -45.9 | 108.1 | 175.3 | -65.3 | 170.5 | 174.8 | 177.7 | 0 | 111.7 | ||||
| 1162 | R | 23 | Very low | 30.1 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -130.4 | 58.4 | 149.2 | -77.4 | -170.7 | 177.4 | 175.2 | 0.5 | 109.5 | Q1160 N1164 | Q1160-R1162 PolarHBondContact O-N 3.37Å; Q1160-R1162 VanDerWaalsContact O-N 3.12Å; R1162-N1164 PolarHBondContact O-N 3.04Å | ||
| 1163 | S | 21.7 | Very low | 28 | Very low | 93 Ų | 93 | 156.8 Ų | 156.8 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | trans | -65.2 | 107.6 | 153.2 | 45.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1164 | N | 23.3 | Very low | 26.4 | Very low | 160 Ų | 160 | 155 Ų | 155 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | 176.7 | 24.1 | 152.6 | -89.8 | -3.2 | 0 | 0 | 0 | 116.1 | R1162 | R1162-N1164 PolarHBondContact O-N 3.04Š| ||
| 1165 | I | 26.8 | Very low | 25 | Very low | 167 Ų | 167 | 158.7 Ų | 158.7 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -125.5 | -1.5 | 171.5 | -56.7 | -179.8 | 0 | 0 | 0 | 113.3 | G1167 | I1165-G1167 VanDerWaalsContact C-N 3.27Å; I1165-G1167 PolarHBondContact O-N 3.48Å |
| 1166 | L | 23.5 | Very low | 24.5 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -92 | 39.8 | 177.3 | -150.9 | 81.9 | 0 | 0 | 0 | 112.9 | ||
| 1167 | G | 22.5 | Very low | 24.5 | Very low | 73 Ų | 73 | 153.7 Ų | 153.7 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -117.4 | 6.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1165 | I1165-G1167 VanDerWaalsContact C-N 3.27Å; I1165-G1167 PolarHBondContact O-N 3.48Å |
| 1168 | L | 25.3 | Very low | 24.4 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -124.8 | 10.3 | -171 | -101.7 | 158 | 0 | 0 | 0 | 116.5 | ||
| 1169 | F | 25.7 | Very low | 24.5 | Very low | 206 Ų | 206 | 158.3 Ų | 158.3 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -132.8 | 23.7 | -176.8 | -90.3 | -75.6 | 0 | 0 | 0 | 116.3 | ||
| 1170 | N | 23.7 | Very low | 24.6 | Very low | 159 Ų | 159 | 160 Ų | 160 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | -126.4 | 14 | 178.4 | -128.5 | 19 | 0 | 0 | 0 | 117.2 | ||||
| 1171 | E | 24.8 | Very low | 24.6 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -108.8 | 89.9 | 166.1 | -76.3 | -169.5 | 167.9 | 0 | 0 | 110 | ||
| 1172 | R | 25.7 | Very low | 24.9 | Very low | 239 Ų | 239 | 156 Ų | 156 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 174.9 | -4.4 | 141.6 | -95.5 | 164.6 | -167.5 | -152.8 | 3.8 | 115.6 | S1174 | R1172-S1174 PolarHBondContact O-N 2.93Š|
| 1173 | C | 24.4 | Very low | 25 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 92% | 0.919 | 83% | 0.826 | S | S | * | * | trans | -95.5 | 63.3 | 172.5 | -77.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1174 | S | 22.7 | Very low | 25.3 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | trans | -150.5 | 56.9 | 167.9 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | R1172 | R1172-S1174 PolarHBondContact O-N 2.93Š| ||
| 1175 | K | 24.2 | Very low | 25.6 | Very low | 193 Ų | 193 | 155.8 Ų | 155.8 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -135.7 | 105.2 | 159.1 | -72.1 | -166 | 177 | -176.5 | 0 | 109.7 | ||
| 1176 | S | 25.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | 15.9 | 105.5 | 149.4 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | D1178 | S1176-D1178 VanDerWaalsContact C-N 3.31Š| ||
| 1177 | A | 26.1 | Very low | 26.1 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -87.4 | 11.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1178 | D | 28.3 | Very low | 26.6 | Very low | 159 Ų | 159 | 157 Ų | 157 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -84.7 | -2.6 | -175.6 | -90.3 | -9 | 0 | 0 | 0 | 115.3 | S1176 | S1176-D1178 VanDerWaalsContact C-N 3.31Š|
| 1179 | D | 26.9 | Very low | 27 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -137.5 | 83.6 | 176.5 | -87.1 | -31.9 | 0 | 0 | 0 | 111.1 | ||
| 1180 | M | 24.8 | Very low | 27.7 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -170.5 | 24.4 | 152.4 | -99.9 | -47 | 154.8 | 0 | 0 | 113.8 | S1182 | M1180-S1182 PolarHBondContact O-N 3.48Š| ||
| 1181 | L | 25.3 | Very low | 28.1 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 25.8 | 177.3 | -104 | 167.8 | 0 | 0 | 0 | 114.2 | ||
| 1182 | S | 28.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 10.9 | -175.6 | -56.2 | 0 | 0 | 0 | 0 | 118 | M1180 | M1180-S1182 PolarHBondContact O-N 3.48Š|
| 1183 | S | 25.1 | Very low | 29 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -157.3 | 84.7 | 169.1 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1184 | R | 27.3 | Very low | 29.6 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -168.2 | 81.3 | 152.9 | -106.5 | 168 | -164.3 | -168.4 | 5.4 | 109.4 | ||||
| 1185 | L | 30.2 | Very low | 30.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | -110.9 | 16 | 177 | -120.5 | 157 | 0 | 0 | 0 | 112.8 | ||||
| 1186 | E | 28.9 | Very low | 30.8 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -136.1 | 9.9 | -173.6 | -73.9 | -168.3 | 159.8 | 0 | 0 | 118.6 | ||
| 1187 | N | 31.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | trans | -124.1 | 26 | -180 | -78.3 | -18.5 | 0 | 0 | 0 | 116.3 | S1189 | N1187-S1189 PolarHBondContact O-N 3.4Å; N1187-S1189 VanDerWaalsContact O-N 3.1Å | ||
| 1188 | E | 32.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -64.7 | -11.9 | -176.4 | -78 | -163.5 | 175.4 | 0 | 0 | 116.4 | R1192 | E1188-R1192 IonicContact OE2-NH2 3.38Å; E1188-R1192 PolarHBondContact OE2-NH2 3.49Å; E1188-R1192 VanDerWaalsContact OE2-NH2 3.15Å |
| 1189 | S | 35.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85.2 | -20.5 | -174 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | N1187 | N1187-S1189 PolarHBondContact O-N 3.4Å; N1187-S1189 VanDerWaalsContact O-N 3.1Å |
| 1190 | V | 38.6 | Very low | 33.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -95.5 | -32.1 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | R1192 K1193 Y1194 | V1190-R1192 PolarHBondContact O-N 3.15Å; V1190-K1193 PolarHBondContact O-N 3.38Å; V1190-Y1194 PolarHBondContact O-N 3.17Å |
| 1191 | E | 33.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 59% | 0.593 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.4 | -29.6 | 179.2 | -81.1 | -177.6 | 167.5 | 0 | 0 | 113.4 | K1193 Y1194 Q1195 | E1191-K1193 VanDerWaalsContact C-N 3.33Å; E1191-K1193 PolarHBondContact O-N 3.34Å; E1191-Y1194 PolarHBondContact O-N 3.03Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.27Å; E1191-Q1195 PolarHBondContact O-N 3.24Å |
| 1192 | R | 33.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 54% | 0.536 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -63.3 | -36 | 177.8 | -68.8 | -174.1 | -153.3 | 162.8 | 6.5 | 113.2 | E1188 V1190 E1196 | E1188-R1192 IonicContact OE2-NH2 3.38Å; E1188-R1192 PolarHBondContact OE2-NH2 3.49Å; E1188-R1192 VanDerWaalsContact OE2-NH2 3.15Å; V1190-R1192 PolarHBondContact O-N 3.15Å; R1192-E1196 PolarHBondContact O-N 2.92Å; R1192-E1196 VanDerWaalsContact O-N 3.14Å |
| 1193 | K | 34.4 | Very low | 35.9 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 70% | 0.704 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.1 | -33.9 | 176.6 | -78.5 | -174.1 | 176 | 178.7 | 0 | 112.3 | V1190 E1191 E1197 | V1190-K1193 PolarHBondContact O-N 3.38Å; E1191-K1193 VanDerWaalsContact C-N 3.33Å; E1191-K1193 PolarHBondContact O-N 3.34Å; K1193-E1197 PolarHBondContact O-N 3.44Å |
| 1194 | Y | 36.8 | Very low | 36.8 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.8 | -40.8 | 174.8 | -103.3 | -88.6 | 0 | 0 | 0 | 112 | V1190 E1191 E1197 E1198 | V1190-Y1194 PolarHBondContact O-N 3.17Å; E1191-Y1194 PolarHBondContact O-N 3.03Å; Y1194-E1197 PolarHBondContact O-N 2.98Å; Y1194-E1198 WeakPolarHBondContact O-CB 3.43Å; Y1194-E1198 PolarHBondContact O-N 2.88Å |
| 1195 | Q | 34.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 55% | 0.547 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.1 | -39.6 | 175.8 | -82.2 | 173.7 | -24.9 | 0 | 0 | 112.8 | E1191 E1197 E1198 E1199 | E1191-Q1195 WeakPolarHBondContact O-CB 3.27Å; E1191-Q1195 PolarHBondContact O-N 3.24Å; Q1195-E1197 PolarHBondContact O-N 3.37Å; Q1195-E1198 PolarHBondContact O-N 3.42Å; Q1195-E1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-E1199 PolarHBondContact O-N 3.07Å |
| 1196 | E | 38.5 | Very low | 38.5 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -37.9 | 175.3 | -81 | -175.2 | 176.1 | 0 | 0 | 112.8 | R1192 K1200 | R1192-E1196 PolarHBondContact O-N 2.92Å; R1192-E1196 VanDerWaalsContact O-N 3.14Å; E1196-K1200 WeakPolarHBondContact O-CB 3.25Å; E1196-K1200 WeakPolarHBondContact O-CG 3.03Å; E1196-K1200 PolarHBondContact O-N 3.15Å |
| 1197 | E | 42.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 174.2 | -82.3 | -132.4 | 167.1 | 0 | 0 | 112.5 | K1193 Y1194 Q1195 K1200 R1201 | K1193-E1197 PolarHBondContact O-N 3.44Å; Y1194-E1197 PolarHBondContact O-N 2.98Å; Q1195-E1197 PolarHBondContact O-N 3.37Å; E1197-K1200 PolarHBondContact O-N 3.05Å; E1197-R1201 WeakPolarHBondContact O-CB 3.22Å; E1197-R1201 WeakPolarHBondContact O-CG 3.33Å; E1197-R1201 PolarHBondContact O-N 3.25Å; E1197-R1201 IonicContact OE2-NH2 2.87Å |
| 1198 | E | 42.3 | Very low | 39.9 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 66% | 0.659 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.3 | -41.6 | 178.8 | -147.8 | 173 | -157.5 | 0 | 0 | 111 | Y1194 Q1195 R1201 F1202 | Y1194-E1198 WeakPolarHBondContact O-CB 3.43Å; Y1194-E1198 PolarHBondContact O-N 2.88Å; Q1195-E1198 PolarHBondContact O-N 3.42Å; E1198-R1201 PolarHBondContact O-N 3.13Å; E1198-F1202 WeakPolarHBondContact O-CB 3.23Å; E1198-F1202 PolarHBondContact O-N 3.38Å |
| 1199 | E | 39 | Very low | 40.5 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 169.7 | -83.7 | -163.8 | 168.4 | 0 | 0 | 112 | Q1195 F1202 M1203 | Q1195-E1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-E1199 PolarHBondContact O-N 3.07Å; E1199-F1202 PolarHBondContact O-N 2.95Å; E1199-M1203 WeakPolarHBondContact O-CB 3.48Å; E1199-M1203 VanDerWaalsContact O-CG 3.25Å; E1199-M1203 WeakPolarHBondContact O-CG 3.45Å; E1199-M1203 PolarHBondContact O-N 3.4Å |
| 1200 | K | 41.8 | Very low | 40.8 | Very low | 146 Ų | 146 | 111.2 Ų | 111.2 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 174.5 | -87.3 | 177.9 | 178.3 | 171.3 | 0 | 111.7 | E1196 E1197 M1203 T1204 | E1196-K1200 WeakPolarHBondContact O-CB 3.25Å; E1196-K1200 WeakPolarHBondContact O-CG 3.03Å; E1196-K1200 PolarHBondContact O-N 3.15Å; E1197-K1200 PolarHBondContact O-N 3.05Å; K1200-M1203 PolarHBondContact O-N 3.27Å; K1200-T1204 WeakPolarHBondContact O-CB 3.33Å; K1200-T1204 PolarHBondContact O-N 3.5Å; K1200-T1204 PolarHBondContact O-OG1 3.33Å |
| 1201 | R | 47.8 | Very low | 41.1 | Very low | 176 Ų | 176 | 110.5 Ų | 110.5 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 176.6 | -76.3 | -178.8 | -175.2 | -171.4 | 4.3 | 111.5 | E1197 E1198 T1204 K1205 | E1197-R1201 WeakPolarHBondContact O-CB 3.22Å; E1197-R1201 WeakPolarHBondContact O-CG 3.33Å; E1197-R1201 PolarHBondContact O-N 3.25Å; E1197-R1201 IonicContact OE2-NH2 2.87Å; E1198-R1201 PolarHBondContact O-N 3.13Å; R1201-T1204 PolarHBondContact O-N 3.23Å; R1201-K1205 WeakPolarHBondContact O-CB 3.3Å; R1201-K1205 PolarHBondContact O-N 3.24Å |
| 1202 | F | 42.6 | Very low | 41.3 | Very low | 129 Ų | 129 | 107 Ų | 107 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 175.6 | -159.1 | -90.6 | 0 | 0 | 0 | 110.7 | E1198 E1199 T1204 K1205 L1206 | E1198-F1202 WeakPolarHBondContact O-CB 3.23Å; E1198-F1202 PolarHBondContact O-N 3.38Å; E1199-F1202 PolarHBondContact O-N 2.95Å; F1202-T1204 PolarHBondContact O-N 3.06Å; F1202-K1205 WeakPolarHBondContact O-CB 3.24Å; F1202-K1205 PolarHBondContact O-N 3.39Å; F1202-L1206 HydrophobicContact CD1-CD1 4.04Å; F1202-L1206 HydrophobicContact CE1-CD1 3.6Å; F1202-L1206 WeakPolarHBondContact O-CB 3.42Å; F1202-L1206 PolarHBondContact O-N 3.33Å |
| 1203 | M | 37.6 | Very low | 41.8 | Very low | 37 Ų | 37 | 106.9 Ų | 106.9 | 18% | 0.182 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.3 | -82 | -72.1 | -72 | 0 | 0 | 112.1 | R1136 E1199 K1200 K1205 L1206 F1207 | R1136-M1203 HydrophobicContact CG-CE 4.07Å; E1199-M1203 WeakPolarHBondContact O-CB 3.48Å; E1199-M1203 VanDerWaalsContact O-CG 3.25Å; E1199-M1203 WeakPolarHBondContact O-CG 3.45Å; E1199-M1203 PolarHBondContact O-N 3.4Å; K1200-M1203 PolarHBondContact O-N 3.27Å; M1203-K1205 VanDerWaalsContact C-N 3.33Å; M1203-L1206 PolarHBondContact O-N 3.05Å; M1203-F1207 HydrophobicContact CE-CD2 3.94Å; M1203-F1207 HydrophobicContact CE-CE2 3.88Å; M1203-F1207 WeakPolarHBondContact O-CB 3.44Å; M1203-F1207 PolarHBondContact O-N 3.38Å |
| 1204 | T | 43 | Very low | 41.9 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.4 | -47 | 0 | 0 | 0 | 0 | 110.3 | K1200 R1201 F1202 K1208 | K1200-T1204 WeakPolarHBondContact O-CB 3.33Å; K1200-T1204 PolarHBondContact O-N 3.5Å; K1200-T1204 PolarHBondContact O-OG1 3.33Å; R1201-T1204 PolarHBondContact O-N 3.23Å; F1202-T1204 PolarHBondContact O-N 3.06Å; T1204-K1208 WeakPolarHBondContact O-CB 3.41Å; T1204-K1208 PolarHBondContact O-N 3.19Å |
| 1205 | K | 50.3 | Low | 42.4 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -48.8 | 172.4 | -103.6 | -178.1 | 172.9 | -179.6 | 0 | 112 | R1201 F1202 M1203 K1208 E1209 | R1201-K1205 WeakPolarHBondContact O-CB 3.3Å; R1201-K1205 PolarHBondContact O-N 3.24Å; F1202-K1205 WeakPolarHBondContact O-CB 3.24Å; F1202-K1205 PolarHBondContact O-N 3.39Å; M1203-K1205 VanDerWaalsContact C-N 3.33Å; K1205-K1208 CarbonylContact O-C 3.52Å; K1205-K1208 PolarHBondContact O-N 2.91Å; K1205-E1209 VanDerWaalsContact O-CB 3.31Å; K1205-E1209 WeakPolarHBondContact O-CB 3.21Å; K1205-E1209 VanDerWaalsContact O-CG 3.24Å; K1205-E1209 WeakPolarHBondContact O-CG 3.44Å; K1205-E1209 PolarHBondContact O-N 2.97Å |
| 1206 | L | 43.5 | Very low | 43.3 | Very low | 10 Ų | 10 | 100.4 Ų | 100.4 | 5% | 0.052 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | -174.5 | -161.8 | 133.8 | 0 | 0 | 0 | 111.6 | L1140 F1202 M1203 E1209 L1210 Y1220 | L1140-L1206 HydrophobicContact CD1-CD2 4.06Å; L1140-L1206 HydrophobicContact CD2-CD2 3.69Å; F1202-L1206 HydrophobicContact CD1-CD1 4.04Å; F1202-L1206 HydrophobicContact CE1-CD1 3.6Å; F1202-L1206 WeakPolarHBondContact O-CB 3.42Å; F1202-L1206 PolarHBondContact O-N 3.33Å; M1203-L1206 PolarHBondContact O-N 3.05Å; L1206-E1209 PolarHBondContact O-N 2.98Å; L1206-L1210 HydrophobicContact CD2-CD1 3.62Å; L1206-L1210 HydrophobicContact CG-CD1 4.31Å; L1206-L1210 WeakPolarHBondContact O-CB 3.36Å; L1206-L1210 WeakPolarHBondContact O-CD1 3.46Å; L1206-L1210 PolarHBondContact O-N 3Å; L1206-Y1220 WeakPolarHBondContact CD1-OH 3.34Å |
| 1207 | F | 44.1 | Very low | 44.4 | Very low | 49 Ų | 49 | 102.2 Ų | 102.2 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 173.3 | -107.6 | -87.4 | 0 | 0 | 0 | 111.9 | L1139 M1203 E1209 L1210 S1211 | L1139-F1207 HydrophobicContact CD2-CE1 4.16Å; L1139-F1207 HydrophobicContact CD2-CE2 4.45Å; L1139-F1207 HydrophobicContact CD2-CZ 3.5Å; L1139-F1207 VanDerWaalsContact CD2-CZ 3.5Å; M1203-F1207 HydrophobicContact CE-CD2 3.94Å; M1203-F1207 HydrophobicContact CE-CE2 3.88Å; M1203-F1207 WeakPolarHBondContact O-CB 3.44Å; M1203-F1207 PolarHBondContact O-N 3.38Å; F1207-E1209 PolarHBondContact O-N 2.96Å; F1207-L1210 CarbonylContact O-C 3.51Å; F1207-L1210 PolarHBondContact O-N 3.02Å; F1207-L1210 VanDerWaalsContact O-N 3.17Å; F1207-S1211 VanDerWaalsContact O-CB 3.32Å; F1207-S1211 WeakPolarHBondContact O-CB 3.41Å; F1207-S1211 PolarHBondContact O-N 3.4Å; F1207-S1211 PolarHBondContact O-OG 2.88Å |
| 1208 | K | 46.6 | Very low | 45.6 | Very low | 138 Ų | 138 | 97.5 Ų | 97.5 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64 | -33.7 | 175 | -162.8 | 173.9 | -170 | -179.9 | 0 | 110.5 | T1204 K1205 C1212 | T1204-K1208 WeakPolarHBondContact O-CB 3.41Å; T1204-K1208 PolarHBondContact O-N 3.19Å; K1205-K1208 CarbonylContact O-C 3.52Å; K1205-K1208 PolarHBondContact O-N 2.91Å; K1208-C1212 VanDerWaalsContact CG-SG 3.6Å; K1208-C1212 WeakPolarHBondContact O-CA 3.31Å; K1208-C1212 WeakPolarHBondContact O-CB 3.44Å; K1208-C1212 PolarHBondContact O-N 3.36Å; K1208-C1212 PolarHBondContact O-SG 3.34Å |
| 1209 | E | 43.1 | Very low | 46.8 | Very low | 91 Ų | 91 | 97.9 Ų | 97.9 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.6 | -30 | 173.1 | -76 | 173 | -176.8 | 0 | 0 | 113.1 | K1205 L1206 F1207 L1216 | K1205-E1209 VanDerWaalsContact O-CB 3.31Å; K1205-E1209 WeakPolarHBondContact O-CB 3.21Å; K1205-E1209 VanDerWaalsContact O-CG 3.24Å; K1205-E1209 WeakPolarHBondContact O-CG 3.44Å; K1205-E1209 PolarHBondContact O-N 2.97Å; L1206-E1209 PolarHBondContact O-N 2.98Å; F1207-E1209 PolarHBondContact O-N 2.96Å; E1209-L1216 HydrophobicContact CB-CD2 4.35Å |
| 1210 | L | 43 | Very low | 48.4 | Very low | 27 Ų | 27 | 96.3 Ų | 96.3 | 14% | 0.141 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -81 | -29 | 174.3 | -83.9 | 149.4 | 0 | 0 | 0 | 113.9 | L1140 L1206 F1207 L1216 | L1140-L1210 HydrophobicContact CD2-CD1 3.16Å; L1140-L1210 HydrophobicContact CD2-CG 4.49Å; L1206-L1210 HydrophobicContact CD2-CD1 3.62Å; L1206-L1210 HydrophobicContact CG-CD1 4.31Å; L1206-L1210 WeakPolarHBondContact O-CB 3.36Å; L1206-L1210 WeakPolarHBondContact O-CD1 3.46Å; L1206-L1210 PolarHBondContact O-N 3Å; F1207-L1210 CarbonylContact O-C 3.51Å; F1207-L1210 PolarHBondContact O-N 3.02Å; F1207-L1210 VanDerWaalsContact O-N 3.17Å; L1210-L1216 HydrophobicContact CD2-CD1 3.88Å; L1210-L1216 HydrophobicContact CG-CD1 4.17Å |
| 1211 | S | 45.2 | Very low | 50 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 56% | 0.559 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -93.4 | -20.7 | 177.6 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | F1207 | F1207-S1211 VanDerWaalsContact O-CB 3.32Å; F1207-S1211 WeakPolarHBondContact O-CB 3.41Å; F1207-S1211 PolarHBondContact O-N 3.4Å; F1207-S1211 PolarHBondContact O-OG 2.88Å |
| 1212 | C | 37.1 | Very low | 51.5 | Low | 53 Ų | 53 | 82.7 Ų | 82.7 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -103 | 108.2 | 179.1 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | K1208 Y1214 | K1208-C1212 VanDerWaalsContact CG-SG 3.6Å; K1208-C1212 WeakPolarHBondContact O-CA 3.31Å; K1208-C1212 WeakPolarHBondContact O-CB 3.44Å; K1208-C1212 PolarHBondContact O-N 3.36Å; K1208-C1212 PolarHBondContact O-SG 3.34Å; C1212-Y1214 PolarHBondContact O-N 2.86Å |
| 1213 | Q | 43.3 | Very low | 53.3 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | S | Bend | 43.2 | 8.1 | 127.5 | -69.2 | -172.5 | -8.7 | 0 | 0 | 122.4 | |||
| 1214 | Y | 37.9 | Very low | 55.4 | Low | 178 Ų | 178 | 82.5 Ų | 82.5 | 70% | 0.698 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -141.4 | 134.9 | 177.1 | -72.1 | -84.3 | 0 | 0 | 0 | 111.3 | C1212 L1216 | C1212-Y1214 PolarHBondContact O-N 2.86Å; Y1214-L1216 PolarHBondContact O-N 3.36Å |
| 1215 | P | 47.2 | Very low | 57.4 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 60% | 0.597 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 123.1 | -173.3 | 24.8 | -32.1 | 0 | 0 | 0 | 111 | K1217 | P1215-K1217 PolarHBondContact O-N 3.16Š|
| 1216 | L | 52.5 | Low | 59.1 | Low | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 132.7 | 168.8 | -72.2 | 156.7 | 0 | 0 | 0 | 108.8 | E1209 L1210 Y1214 S1218 Y1220 C1221 | E1209-L1216 HydrophobicContact CB-CD2 4.35Å; L1210-L1216 HydrophobicContact CD2-CD1 3.88Å; L1210-L1216 HydrophobicContact CG-CD1 4.17Å; Y1214-L1216 PolarHBondContact O-N 3.36Å; L1216-S1218 PolarHBondContact O-N 3.36Å; L1216-Y1220 HydrophobicContact CD2-CD1 3.81Å; L1216-Y1220 HydrophobicContact CD2-CE1 3.96Å; L1216-C1221 VanDerWaalsContact CB-SG 3.57Å |
| 1217 | K | 62.3 | Low | 61.1 | Low | 155 Ų | 155 | 78.5 Ų | 78.5 | 67% | 0.674 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 129.6 | 174.1 | -68.6 | -178.7 | 179.1 | 178.2 | 0 | 108.9 | P1215 E1219 Y1220 C1221 | P1215-K1217 PolarHBondContact O-N 3.16Å; K1217-E1219 PolarHBondContact O-N 3.5Å; K1217-E1219 VanDerWaalsContact O-N 3.08Å; K1217-Y1220 WeakPolarHBondContact O-CA 3.19Å; K1217-Y1220 VanDerWaalsContact O-CB 3.31Å; K1217-Y1220 WeakPolarHBondContact O-CB 3.37Å; K1217-Y1220 PolarHBondContact O-N 3.09Å; K1217-C1221 PolarHBondContact O-N 3.03Å |
| 1218 | S | 66.9 | Low | 63.2 | Low | 17 Ų | 17 | 76.1 Ų | 76.1 | 12% | 0.119 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -49.1 | -38.7 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 113.3 | W1151 L1216 Y1220 C1221 R1222 | W1151-S1218 WeakPolarHBondContact O-CB 3.47Å; W1151-S1218 PolarHBondContact O-OG 3.06Å; L1216-S1218 PolarHBondContact O-N 3.36Å; S1218-Y1220 VanDerWaalsContact C-N 3.3Å; S1218-Y1220 PolarHBondContact O-N 3.31Å; S1218-C1221 PolarHBondContact O-N 3.41Å; S1218-R1222 WeakPolarHBondContact O-CG 3.27Å; S1218-R1222 PolarHBondContact O-N 3.46Å |
| 1219 | E | 67.5 | Low | 65.2 | Low | 149 Ų | 149 | 69.6 Ų | 69.6 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.3 | -37.8 | 175.5 | -67.7 | 175.2 | 179.6 | 0 | 0 | 113.5 | K1217 K1223 | K1217-E1219 PolarHBondContact O-N 3.5Å; K1217-E1219 VanDerWaalsContact O-N 3.08Å; E1219-K1223 PolarHBondContact O-N 3.17Å; E1219-K1223 VanDerWaalsContact O-N 3.12Å |
| 1220 | Y | 73 | Confident | 67.3 | Low | 77 Ų | 77 | 67.2 Ų | 67.2 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.9 | -45.1 | 178.8 | -179 | -97.8 | 0 | 0 | 0 | 111.5 | L1206 L1216 K1217 S1218 R1222 K1223 L1224 | L1206-Y1220 WeakPolarHBondContact CD1-OH 3.34Å; L1216-Y1220 HydrophobicContact CD2-CD1 3.81Å; L1216-Y1220 HydrophobicContact CD2-CE1 3.96Å; K1217-Y1220 WeakPolarHBondContact O-CA 3.19Å; K1217-Y1220 VanDerWaalsContact O-CB 3.31Å; K1217-Y1220 WeakPolarHBondContact O-CB 3.37Å; K1217-Y1220 PolarHBondContact O-N 3.09Å; S1218-Y1220 VanDerWaalsContact C-N 3.3Å; S1218-Y1220 PolarHBondContact O-N 3.31Å; Y1220-R1222 VanDerWaalsContact C-N 3.31Å; Y1220-R1222 PolarHBondContact O-N 3.02Å; Y1220-K1223 PolarHBondContact O-N 2.9Å; Y1220-L1224 HydrophobicContact CE1-CD2 4.41Å; Y1220-L1224 WeakPolarHBondContact O-CB 3.15Å; Y1220-L1224 PolarHBondContact O-N 3.46Å |
| 1221 | C | 76.2 | Confident | 69.4 | Low | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 176 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L1144 W1151 L1216 K1217 S1218 L1224 L1225 | L1144-C1221 HydrophobicContact CD2-CB 4.08Å; W1151-C1221 HydrophobicContact CD2-CB 4.13Å; W1151-C1221 HydrophobicContact CE3-CB 4.25Å; W1151-C1221 HydrophobicContact CG-CB 4.36Å; L1216-C1221 VanDerWaalsContact CB-SG 3.57Å; K1217-C1221 PolarHBondContact O-N 3.03Å; S1218-C1221 PolarHBondContact O-N 3.41Å; C1221-L1224 PolarHBondContact O-N 2.81Å; C1221-L1225 VanDerWaalsContact O-CG 3.32Å; C1221-L1225 WeakPolarHBondContact O-CG 3.35Å; C1221-L1225 PolarHBondContact O-N 3.4Å |
| 1222 | R | 78.6 | Confident | 71.4 | Confident | 34 Ų | 34 | 66 Ų | 66 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.9 | -69.4 | 173.2 | -177.8 | 162.7 | 7.2 | 112.2 | W1151 S1218 Y1220 L1224 L1225 Y1226 D1273 D1275 L1279 | W1151-R1222 HydrophobicContact CZ3-CG 4.43Å; S1218-R1222 WeakPolarHBondContact O-CG 3.27Å; S1218-R1222 PolarHBondContact O-N 3.46Å; Y1220-R1222 VanDerWaalsContact C-N 3.31Å; Y1220-R1222 PolarHBondContact O-N 3.02Å; R1222-L1224 VanDerWaalsContact C-N 3.31Å; R1222-L1224 PolarHBondContact O-N 2.65Å; R1222-L1225 PolarHBondContact O-N 3.05Å; R1222-Y1226 WeakPolarHBondContact O-CB 3.45Å; R1222-Y1226 PolarHBondContact O-N 3.28Å; R1222-D1273 IonicContact CZ-OD1 2.65Å; R1222-D1273 IonicContact CZ-OD2 2.81Å; R1222-D1273 IonicContact NE-OD1 2.66Å; R1222-D1273 IonicContact NE-OD2 2.59Å; R1222-D1273 IonicContact NH2-OD1 3.05Å; R1222-D1273 PolarHBondContact NH2-OD1 2.78Å; R1222-D1273 IonicContact NH2-OD2 3.84Å; R1222-D1273 PolarHBondContact NH2-OD2 3.42Å; R1222-D1275 IonicContact CZ-OD2 2.71Å; R1222-D1275 IonicContact NH1-OD2 3.97Å; R1222-D1275 PolarHBondContact NH1-OD2 2.87Å; R1222-L1279 HydrophobicContact CB-CD1 4.18Å; R1222-L1279 HydrophobicContact CG-CD1 4.05Å |
| 1223 | K | 81 | Confident | 73.7 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 61% | 0.613 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 177.2 | -171.9 | 174.4 | 179.9 | 178.8 | 0 | 111.2 | E1219 Y1220 Y1226 D1227 | E1219-K1223 PolarHBondContact O-N 3.17Å; E1219-K1223 VanDerWaalsContact O-N 3.12Å; Y1220-K1223 PolarHBondContact O-N 2.9Å; K1223-Y1226 WeakPolarHBondContact O-CB 3.42Å; K1223-Y1226 PolarHBondContact O-N 2.92Å; K1223-D1227 PolarHBondContact O-N 3.08Å |
| 1224 | L | 80.9 | Confident | 75.7 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.5 | -175.9 | 61.7 | 0 | 0 | 0 | 112.2 | L1140 L1144 Y1220 C1221 R1222 D1227 I1228 | L1140-L1224 HydrophobicContact CD1-CD1 4.48Å; L1140-L1224 HydrophobicContact CD1-CD2 4.44Å; L1144-L1224 HydrophobicContact CD1-CD2 4.22Å; Y1220-L1224 HydrophobicContact CE1-CD2 4.41Å; Y1220-L1224 WeakPolarHBondContact O-CB 3.15Å; Y1220-L1224 PolarHBondContact O-N 3.46Å; C1221-L1224 PolarHBondContact O-N 2.81Å; R1222-L1224 VanDerWaalsContact C-N 3.31Å; R1222-L1224 PolarHBondContact O-N 2.65Å; L1224-D1227 PolarHBondContact O-N 3.34Å; L1224-I1228 HydrophobicContact CD1-CD1 4.46Å; L1224-I1228 HydrophobicContact CG-CD1 4.11Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.22Å; L1224-I1228 PolarHBondContact O-N 3.48Å |
| 1225 | L | 84.5 | Confident | 78 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -72.9 | 169.5 | 0 | 0 | 0 | 112.1 | L1141 L1144 W1151 C1221 R1222 D1227 I1228 F1229 F1263 L1279 | L1141-L1225 HydrophobicContact CD1-CD2 3.32Å; L1144-L1225 HydrophobicContact CB-CD2 4.33Å; L1144-L1225 HydrophobicContact CD1-CD1 4.37Å; L1144-L1225 HydrophobicContact CD1-CD2 3.79Å; L1144-L1225 HydrophobicContact CD1-CG 3.82Å; W1151-L1225 HydrophobicContact CH2-CD1 3.53Å; W1151-L1225 HydrophobicContact CZ2-CD1 3.9Å; W1151-L1225 HydrophobicContact CZ3-CD1 4.26Å; C1221-L1225 VanDerWaalsContact O-CG 3.32Å; C1221-L1225 WeakPolarHBondContact O-CG 3.35Å; C1221-L1225 PolarHBondContact O-N 3.4Å; R1222-L1225 PolarHBondContact O-N 3.05Å; L1225-D1227 VanDerWaalsContact C-N 3.34Å; L1225-D1227 PolarHBondContact O-N 3.3Å; L1225-I1228 PolarHBondContact O-N 3.43Å; L1225-F1229 HydrophobicContact CB-CE2 4.49Å; L1225-F1229 WeakPolarHBondContact O-CD2 3.5Å; L1225-F1229 PolarHBondContact O-N 2.87Å; L1225-F1263 HydrophobicContact CD1-CE2 3.81Å; L1225-F1263 HydrophobicContact CD1-CZ 4.35Å; L1225-L1279 HydrophobicContact CB-CD1 4.44Å; L1225-L1279 HydrophobicContact CB-CD2 4.05Å; L1225-L1279 HydrophobicContact CD1-CD1 4.31Å |
| 1226 | Y | 85.7 | Confident | 79.8 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.8 | -175.1 | -96.7 | 0 | 0 | 0 | 111.3 | R1222 K1223 I1228 F1229 I1230 L1279 Q1282 | R1222-Y1226 WeakPolarHBondContact O-CB 3.45Å; R1222-Y1226 PolarHBondContact O-N 3.28Å; K1223-Y1226 WeakPolarHBondContact O-CB 3.42Å; K1223-Y1226 PolarHBondContact O-N 2.92Å; Y1226-I1228 PolarHBondContact O-N 3.07Å; Y1226-F1229 PolarHBondContact O-N 3.07Å; Y1226-I1230 HydrophobicContact CD1-CD1 3.67Å; Y1226-I1230 HydrophobicContact CE1-CD1 3.13Å; Y1226-I1230 HydrophobicContact CE1-CG1 4.38Å; Y1226-I1230 HydrophobicContact CE2-CD1 4.15Å; Y1226-I1230 HydrophobicContact CG-CD1 4.38Å; Y1226-I1230 WeakPolarHBondContact O-CG1 3.49Å; Y1226-I1230 PolarHBondContact O-N 3.42Å; Y1226-I1230 VanDerWaalsContact O-N 3.12Å; Y1226-L1279 HydrophobicContact CD2-CD2 4.29Å; Y1226-Q1282 HydrophobicContact CD2-CG 3.85Å; Y1226-Q1282 HydrophobicContact CE2-CG 3.64Å |
| 1227 | D | 86 | Confident | 81 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 178.9 | -65.3 | -22.2 | 0 | 0 | 0 | 112 | K1223 L1224 L1225 R1231 | K1223-D1227 PolarHBondContact O-N 3.08Å; L1224-D1227 PolarHBondContact O-N 3.34Å; L1225-D1227 VanDerWaalsContact C-N 3.34Å; L1225-D1227 PolarHBondContact O-N 3.3Å; D1227-R1231 WeakPolarHBondContact O-CB 3.34Å; D1227-R1231 WeakPolarHBondContact O-CG 3.37Å; D1227-R1231 PolarHBondContact O-N 3.11Å |
| 1228 | I | 87.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -52.6 | 175.8 | -72.2 | 165.2 | 0 | 0 | 0 | 111.1 | D1137 L1140 L1224 L1225 Y1226 I1230 R1231 W1232 | D1137-I1228 HydrophobicContact CB-CG1 4.14Å; D1137-I1228 HydrophobicContact CB-CG2 3.92Å; L1140-I1228 HydrophobicContact CB-CD1 4Å; L1140-I1228 HydrophobicContact CD1-CD1 4.48Å; L1224-I1228 HydrophobicContact CD1-CD1 4.46Å; L1224-I1228 HydrophobicContact CG-CD1 4.11Å; L1224-I1228 VanDerWaalsContact O-CG1 3.25Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.22Å; L1224-I1228 PolarHBondContact O-N 3.48Å; L1225-I1228 PolarHBondContact O-N 3.43Å; Y1226-I1228 PolarHBondContact O-N 3.07Å; I1228-I1230 VanDerWaalsContact C-N 3.31Å; I1228-I1230 PolarHBondContact O-N 3.49Å; I1228-R1231 PolarHBondContact O-N 3.37Å; I1228-W1232 HydrophobicContact CG2-CD2 3.94Å; I1228-W1232 HydrophobicContact CG2-CE3 4.01Å; I1228-W1232 HydrophobicContact CG2-CH2 3.9Å; I1228-W1232 HydrophobicContact CG2-CZ2 3.85Å; I1228-W1232 HydrophobicContact CG2-CZ3 3.98Å; I1228-W1232 PolarHBondContact O-N 3.49Å |
| 1229 | F | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -177.7 | -71.9 | -56.1 | 0 | 0 | 0 | 112.1 | L1141 L1225 Y1226 W1232 K1233 T1260 F1263 Q1282 A1283 | L1141-F1229 HydrophobicContact CD1-CE2 4.5Å; L1141-F1229 HydrophobicContact CD1-CZ 3.92Å; L1141-F1229 HydrophobicContact CD2-CE1 4.17Å; L1141-F1229 HydrophobicContact CD2-CZ 4.23Å; L1225-F1229 HydrophobicContact CB-CE2 4.49Å; L1225-F1229 WeakPolarHBondContact O-CD2 3.5Å; L1225-F1229 PolarHBondContact O-N 2.87Å; Y1226-F1229 PolarHBondContact O-N 3.07Å; F1229-W1232 HydrophobicContact CD1-CE3 4.19Å; F1229-W1232 HydrophobicContact CD1-CZ3 4.42Å; F1229-W1232 HydrophobicContact CE1-CE3 4.42Å; F1229-W1232 HydrophobicContact CE1-CZ3 4.22Å; F1229-W1232 PolarHBondContact O-N 2.87Å; F1229-K1233 WeakPolarHBondContact O-CB 3.38Å; F1229-K1233 PolarHBondContact O-N 2.98Å; F1229-T1260 HydrophobicContact CE1-CG2 3.85Å; F1229-T1260 HydrophobicContact CZ-CG2 4.46Å; F1229-F1263 AromaticContact CE2-CD1 3.84Å; F1229-F1263 HydrophobicContact CE2-CD1 3.84Å; F1229-F1263 AromaticContact CE2-CE1 3.66Å; F1229-F1263 HydrophobicContact CE2-CE1 3.66Å; F1229-F1263 HydrophobicContact CE2-CG 4.47Å; F1229-F1263 HydrophobicContact CE2-CZ 4.2Å; F1229-F1263 AromaticContact CZ-CD1 3.61Å; F1229-F1263 HydrophobicContact CZ-CD1 3.61Å; F1229-F1263 AromaticContact CZ-CE1 3.95Å; F1229-F1263 HydrophobicContact CZ-CE1 3.95Å; F1229-F1263 HydrophobicContact CZ-CG 4.08Å; F1229-Q1282 HydrophobicContact CB-CB 4.01Å; F1229-A1283 HydrophobicContact CD1-CB 4.18Å; F1229-A1283 HydrophobicContact CD2-CB 4.38Å; F1229-A1283 HydrophobicContact CE1-CB 3.86Å; F1229-A1283 HydrophobicContact CE2-CB 4.06Å; F1229-A1283 HydrophobicContact CG-CB 4.45Å; F1229-A1283 HydrophobicContact CZ-CB 3.8Å |
| 1230 | I | 87.1 | Confident | 81.2 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 174.8 | -72.4 | 178.6 | 0 | 0 | 0 | 111.4 | Y1226 I1228 K1233 N1234 | Y1226-I1230 HydrophobicContact CD1-CD1 3.67Å; Y1226-I1230 HydrophobicContact CE1-CD1 3.13Å; Y1226-I1230 HydrophobicContact CE1-CG1 4.38Å; Y1226-I1230 HydrophobicContact CE2-CD1 4.15Å; Y1226-I1230 HydrophobicContact CG-CD1 4.38Å; Y1226-I1230 WeakPolarHBondContact O-CG1 3.49Å; Y1226-I1230 PolarHBondContact O-N 3.42Å; Y1226-I1230 VanDerWaalsContact O-N 3.12Å; I1228-I1230 VanDerWaalsContact C-N 3.31Å; I1228-I1230 PolarHBondContact O-N 3.49Å; I1230-K1233 WeakPolarHBondContact O-CB 3.34Å; I1230-K1233 PolarHBondContact O-N 2.96Å; I1230-N1234 VanDerWaalsContact O-CG 3.26Å; I1230-N1234 PolarHBondContact O-N 3.39Å |
| 1231 | R | 87.2 | Confident | 80.9 | Confident | 81 Ų | 81 | 56 Ų | 56 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 176.5 | -78.7 | -168.2 | -62 | -94.4 | 8.2 | 111.6 | D1137 D1227 I1228 K1233 N1234 L1235 | D1137-R1231 IonicContact OD1-CZ 3.42Å; D1137-R1231 IonicContact OD1-NE 2.94Å; D1137-R1231 IonicContact OD1-NH2 3.7Å; D1137-R1231 PolarHBondContact OD1-NH2 3.42Å; D1137-R1231 IonicContact OD2-CZ 3.8Å; D1137-R1231 IonicContact OD2-NE 3.8Å; D1137-R1231 PolarHBondContact OD2-NE 2.66Å; D1137-R1231 IonicContact OD2-NH2 3.19Å; D1137-R1231 PolarHBondContact OD2-NH2 2.97Å; D1227-R1231 WeakPolarHBondContact O-CB 3.34Å; D1227-R1231 WeakPolarHBondContact O-CG 3.37Å; D1227-R1231 PolarHBondContact O-N 3.11Å; I1228-R1231 PolarHBondContact O-N 3.37Å; R1231-K1233 PolarHBondContact O-N 2.87Å; R1231-N1234 PolarHBondContact O-N 3.46Å; R1231-L1235 WeakPolarHBondContact O-CG 3.39Å; R1231-L1235 PolarHBondContact O-N 2.85Å |
| 1232 | W | 88.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.3 | -70.5 | -12.5 | 0 | 0 | 0 | 113.1 | D1137 L1138 L1141 I1228 F1229 N1234 L1235 C1236 L1251 V1256 F1286 | D1137-W1232 HydrophobicContact CB-CZ2 3.63Å; L1138-W1232 HydrophobicContact CB-CZ2 4.18Å; L1138-W1232 HydrophobicContact CD1-CH2 4.28Å; L1141-W1232 HydrophobicContact CB-CH2 4.17Å; L1141-W1232 HydrophobicContact CD2-CH2 3.52Å; L1141-W1232 HydrophobicContact CD2-CZ3 3.47Å; L1141-W1232 VanDerWaalsContact CD2-CZ3 3.47Å; L1141-W1232 HydrophobicContact CG-CH2 4.49Å; I1228-W1232 HydrophobicContact CG2-CD2 3.94Å; I1228-W1232 HydrophobicContact CG2-CE3 4.01Å; I1228-W1232 HydrophobicContact CG2-CH2 3.9Å; I1228-W1232 HydrophobicContact CG2-CZ2 3.85Å; I1228-W1232 HydrophobicContact CG2-CZ3 3.98Å; I1228-W1232 PolarHBondContact O-N 3.49Å; F1229-W1232 HydrophobicContact CD1-CE3 4.19Å; F1229-W1232 HydrophobicContact CD1-CZ3 4.42Å; F1229-W1232 HydrophobicContact CE1-CE3 4.42Å; F1229-W1232 HydrophobicContact CE1-CZ3 4.22Å; F1229-W1232 PolarHBondContact O-N 2.87Å; W1232-N1234 VanDerWaalsContact C-N 3.32Å; W1232-N1234 PolarHBondContact O-N 3.2Å; W1232-L1235 PolarHBondContact O-N 3.34Å; W1232-C1236 PolarHBondContact O-N 3.12Å; W1232-L1251 HydrophobicContact CG-CD2 4.36Å; W1232-V1256 HydrophobicContact CD2-CG1 3.81Å; W1232-V1256 HydrophobicContact CE3-CG1 3.42Å; W1232-V1256 VanDerWaalsContact CE3-CG1 3.42Å; W1232-V1256 HydrophobicContact CH2-CG1 3.46Å; W1232-V1256 VanDerWaalsContact CH2-CG1 3.46Å; W1232-V1256 HydrophobicContact CZ2-CG1 3.82Å; W1232-V1256 HydrophobicContact CZ3-CG1 3.24Å; W1232-F1286 HydrophobicContact CB-CD2 3.58Å; W1232-F1286 HydrophobicContact CB-CE2 3.71Å; W1232-F1286 HydrophobicContact CB-CG 4.41Å; W1232-F1286 HydrophobicContact CE3-CE1 4.43Å; W1232-F1286 HydrophobicContact CE3-CE2 4.43Å; W1232-F1286 HydrophobicContact CE3-CZ 4.33Å; W1232-F1286 HydrophobicContact CG-CE2 4.46Å |
| 1233 | K | 85.3 | Confident | 80.6 | Confident | 64 Ų | 64 | 64 Ų | 64 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.4 | -168.3 | -170.6 | 80.8 | -179.5 | 0 | 111.2 | F1229 I1230 R1231 C1236 N1285 E1289 | F1229-K1233 WeakPolarHBondContact O-CB 3.38Å; F1229-K1233 PolarHBondContact O-N 2.98Å; I1230-K1233 WeakPolarHBondContact O-CB 3.34Å; I1230-K1233 PolarHBondContact O-N 2.96Å; R1231-K1233 PolarHBondContact O-N 2.87Å; K1233-C1236 PolarHBondContact O-N 3.1Å; K1233-N1285 HydrophobicContact CD-CB 4.27Å; K1233-E1289 HydrophobicContact CD-CG 4.46Å; K1233-E1289 HydrophobicContact CG-CB 4.35Å; K1233-E1289 HydrophobicContact CG-CG 3.76Å |
| 1234 | N | 85.3 | Confident | 80.6 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.1 | -32.6 | -180 | -65.9 | -10.6 | 0 | 0 | 0 | 112 | I1230 R1231 W1232 C1236 R1237 | I1230-N1234 VanDerWaalsContact O-CG 3.26Å; I1230-N1234 PolarHBondContact O-N 3.39Å; R1231-N1234 PolarHBondContact O-N 3.46Å; W1232-N1234 VanDerWaalsContact C-N 3.32Å; W1232-N1234 PolarHBondContact O-N 3.2Å; N1234-C1236 VanDerWaalsContact C-N 3.27Å; N1234-C1236 PolarHBondContact O-N 2.97Å; N1234-R1237 PolarHBondContact O-N 3.17Å |
| 1235 | L | 85 | Confident | 80.3 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -29.5 | 174.8 | -86.2 | 155 | 0 | 0 | 0 | 113.6 | N1130 V1134 R1231 W1232 R1237 N1247 | N1130-L1235 HydrophobicContact CB-CD2 3.97Å; V1134-L1235 HydrophobicContact CG2-CD1 3.88Å; R1231-L1235 WeakPolarHBondContact O-CG 3.39Å; R1231-L1235 PolarHBondContact O-N 2.85Å; W1232-L1235 PolarHBondContact O-N 3.34Å; L1235-R1237 PolarHBondContact O-N 3.43Å; L1235-N1247 WeakPolarHBondContact O-CB 3.5Å; L1235-N1247 PolarHBondContact O-ND2 3.43Å |
| 1236 | C | 84.3 | Confident | 80 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.4 | 174.1 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | W1232 K1233 N1234 V1243 D1244 Q1248 L1251 E1289 | W1232-C1236 PolarHBondContact O-N 3.12Å; K1233-C1236 PolarHBondContact O-N 3.1Å; N1234-C1236 VanDerWaalsContact C-N 3.27Å; N1234-C1236 PolarHBondContact O-N 2.97Å; C1236-V1243 WeakPolarHBondContact O-CA 3.35Å; C1236-D1244 PolarHBondContact O-N 3.02Å; C1236-Q1248 HydrophobicContact CB-CG 4.35Å; C1236-L1251 VanDerWaalsContact SG-CD1 3.52Å; C1236-E1289 HydrophobicContact CB-CB 3.98Å |
| 1237 | R | 78.6 | Confident | 80 | Confident | 114 Ų | 114 | 63.8 Ų | 63.8 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -120.7 | 152.2 | -179.9 | -64.1 | -172.2 | 175.9 | -145.8 | 6 | 111.5 | N1234 L1235 K1242 E1289 | N1234-R1237 PolarHBondContact O-N 3.17Å; L1235-R1237 PolarHBondContact O-N 3.43Å; R1237-K1242 CarbonylContact C-O 3.48Å; R1237-K1242 WeakPolarHBondContact CA-O 3.37Å; R1237-E1289 IonicContact CZ-OE1 3.98Å; R1237-E1289 IonicContact CZ-OE2 3.95Å; R1237-E1289 VanDerWaalsContact CZ-OE2 3.31Å; R1237-E1289 IonicContact NE-OE1 3.74Å; R1237-E1289 IonicContact NE-OE2 2.72Å; R1237-E1289 PolarHBondContact NE-OE2 2.9Å; R1237-E1289 VanDerWaalsContact NH2-CD 3.26Å; R1237-E1289 IonicContact NH2-OE1 2.95Å; R1237-E1289 PolarHBondContact NH2-OE1 2.99Å; R1237-E1289 IonicContact NH2-OE2 3.08Å; R1237-E1289 PolarHBondContact NH2-OE2 2.98Å |
| 1238 | T | 74 | Confident | 80 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | trans | -82.2 | 164.7 | 169.1 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | D1240 G1241 K1242 D1244 | T1238-D1240 PolarHBondContact O-N 3.42Å; T1238-D1240 VanDerWaalsContact O-N 3.16Å; T1238-G1241 WeakPolarHBondContact O-CA 3.34Å; T1238-G1241 PolarHBondContact O-N 3.28Å; T1238-K1242 PolarHBondContact N-O 3.49Å; T1238-K1242 PolarHBondContact OG1-N 3.36Å; T1238-K1242 PolarHBondContact OG1-O 3.05Å; T1238-D1244 HydrophobicContact CG2-CB 3.78Å | ||
| 1239 | D | 66.9 | Low | 79.7 | Confident | 177 Ų | 177 | 64 Ų | 64 | 95% | 0.947 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.6 | 175.9 | -64.5 | -34.6 | 0 | 0 | 0 | 112.7 | G1241 | D1239-G1241 PolarHBondContact O-N 3.45Š|
| 1240 | D | 60.4 | Low | 79.4 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -0.8 | 173.7 | -63 | -31.2 | 0 | 0 | 0 | 114 | T1238 K1242 | T1238-D1240 PolarHBondContact O-N 3.42Å; T1238-D1240 VanDerWaalsContact O-N 3.16Å; D1240-K1242 PolarHBondContact O-N 2.85Å |
| 1241 | G | 67.2 | Low | 79.3 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 80.2 | 6.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1238 D1239 | T1238-G1241 WeakPolarHBondContact O-CA 3.34Å; T1238-G1241 PolarHBondContact O-N 3.28Å; D1239-G1241 PolarHBondContact O-N 3.45Å |
| 1242 | K | 72.8 | Confident | 79.1 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -84.3 | 158.2 | 174 | -65.7 | 179 | -176.1 | 167.9 | 0 | 110.7 | R1237 T1238 D1240 | R1237-K1242 CarbonylContact C-O 3.48Å; R1237-K1242 WeakPolarHBondContact CA-O 3.37Å; T1238-K1242 PolarHBondContact N-O 3.49Å; T1238-K1242 PolarHBondContact OG1-N 3.36Å; T1238-K1242 PolarHBondContact OG1-O 3.05Å; D1240-K1242 PolarHBondContact O-N 2.85Å |
| 1243 | V | 75.5 | Confident | 78.8 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 133 | 176.4 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | C1236 P1245 Q1248 S1292 | C1236-V1243 WeakPolarHBondContact O-CA 3.35Å; V1243-P1245 VanDerWaalsContact O-CD 3.29Å; V1243-P1245 WeakPolarHBondContact O-CD 3.46Å; V1243-Q1248 VanDerWaalsContact CG1-NE2 3.25Å; V1243-S1292 WeakPolarHBondContact CG1-O 3.37Å; V1243-S1292 WeakPolarHBondContact CG2-OG 3.13Å |
| 1244 | D | 79.5 | Confident | 78.6 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | trans | -98.2 | 100 | 174 | -167.8 | -15.7 | 0 | 0 | 0 | 111 | C1236 T1238 R1246 N1247 Q1248 | C1236-D1244 PolarHBondContact O-N 3.02Å; T1238-D1244 HydrophobicContact CG2-CB 3.78Å; D1244-R1246 PolarHBondContact O-N 3Å; D1244-R1246 WeakPolarHBondContact OD1-CB 3.41Å; D1244-R1246 PolarHBondContact OD1-N 3.41Å; D1244-R1246 IonicContact OD1-NE 2.82Å; D1244-N1247 HydrophobicContact CB-CB 4.33Å; D1244-N1247 PolarHBondContact O-N 3.17Å; D1244-N1247 PolarHBondContact OD2-ND2 3.38Å; D1244-N1247 VanDerWaalsContact OD2-ND2 3.15Å; D1244-Q1248 PolarHBondContact O-N 3.45Å | ||
| 1245 | P | 76 | Confident | 78.4 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -24.8 | -178.5 | 27.3 | -34.8 | 0 | 0 | 0 | 112.8 | V1243 Q1248 Q1249 | V1243-P1245 VanDerWaalsContact O-CD 3.29Å; V1243-P1245 WeakPolarHBondContact O-CD 3.46Å; P1245-Q1248 PolarHBondContact O-N 3.11Å; P1245-Q1249 WeakPolarHBondContact O-CB 3.43Å; P1245-Q1249 PolarHBondContact O-N 3.05Å |
| 1246 | R | 78.5 | Confident | 78.4 | Confident | 150 Ų | 150 | 58.8 Ų | 58.8 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.7 | -41.6 | -179.6 | -65.1 | -177.5 | -67.6 | 174.6 | -0.8 | 111.3 | Q1120 D1244 Q1249 L1250 | Q1120-R1246 PolarHBondContact NE2-O 3.05Å; D1244-R1246 PolarHBondContact O-N 3Å; D1244-R1246 WeakPolarHBondContact OD1-CB 3.41Å; D1244-R1246 PolarHBondContact OD1-N 3.41Å; D1244-R1246 IonicContact OD1-NE 2.82Å; R1246-Q1249 PolarHBondContact O-N 2.73Å; R1246-L1250 PolarHBondContact O-N 3.4Å |
| 1247 | N | 84.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.8 | -35.2 | 175.5 | -71.1 | -22 | 0 | 0 | 0 | 111.8 | N1130 L1235 D1244 Q1249 L1250 L1251 | N1130-N1247 PolarHBondContact ND2-OD1 3.43Å; L1235-N1247 WeakPolarHBondContact O-CB 3.5Å; L1235-N1247 PolarHBondContact O-ND2 3.43Å; D1244-N1247 HydrophobicContact CB-CB 4.33Å; D1244-N1247 PolarHBondContact O-N 3.17Å; D1244-N1247 PolarHBondContact OD2-ND2 3.38Å; D1244-N1247 VanDerWaalsContact OD2-ND2 3.15Å; N1247-Q1249 VanDerWaalsContact C-N 3.34Å; N1247-Q1249 PolarHBondContact O-N 2.95Å; N1247-L1250 WeakPolarHBondContact O-CB 3.43Å; N1247-L1250 PolarHBondContact O-N 2.92Å; N1247-L1251 VanDerWaalsContact O-CG 3.26Å; N1247-L1251 WeakPolarHBondContact O-CG 3.16Å; N1247-L1251 PolarHBondContact O-N 3.34Å |
| 1248 | Q | 86.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 171.2 | -74.9 | 179.6 | -26.7 | 0 | 0 | 112.1 | C1236 V1243 D1244 P1245 L1250 L1251 R1252 E1289 F1290 S1292 N1294 | C1236-Q1248 HydrophobicContact CB-CG 4.35Å; V1243-Q1248 VanDerWaalsContact CG1-NE2 3.25Å; D1244-Q1248 PolarHBondContact O-N 3.45Å; P1245-Q1248 PolarHBondContact O-N 3.11Å; Q1248-L1250 VanDerWaalsContact C-N 3.34Å; Q1248-L1251 PolarHBondContact O-N 2.79Å; Q1248-R1252 PolarHBondContact O-N 2.81Å; Q1248-E1289 PolarHBondContact NE2-O 2.99Å; Q1248-F1290 PolarHBondContact NE2-O 3.03Å; Q1248-F1290 WeakPolarHBondContact O-CE2 3.41Å; Q1248-S1292 PolarHBondContact NE2-O 3.44Å; Q1248-N1294 PolarHBondContact OE1-ND2 2.95Å |
| 1249 | Q | 81.5 | Confident | 78.9 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.6 | -174.7 | 178.3 | -1.5 | 0 | 0 | 111.6 | P1245 R1246 N1247 R1252 N1253 | P1245-Q1249 WeakPolarHBondContact O-CB 3.43Å; P1245-Q1249 PolarHBondContact O-N 3.05Å; R1246-Q1249 PolarHBondContact O-N 2.73Å; N1247-Q1249 VanDerWaalsContact C-N 3.34Å; N1247-Q1249 PolarHBondContact O-N 2.95Å; Q1249-R1252 WeakPolarHBondContact O-CB 3.46Å; Q1249-R1252 PolarHBondContact O-N 2.97Å; Q1249-N1253 WeakPolarHBondContact O-CB 3.5Å; Q1249-N1253 PolarHBondContact O-N 3.07Å |
| 1250 | L | 83 | Confident | 79.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 175.5 | -179.7 | 63.3 | 0 | 0 | 0 | 111.3 | A847 Q1120 L1122 N1130 Y1131 R1246 N1247 Q1248 R1252 N1253 M1254 | A847-L1250 HydrophobicContact CB-CD1 4.13Å; Q1120-L1250 VanDerWaalsContact OE1-N 3.08Å; L1122-L1250 HydrophobicContact CD1-CD1 3.9Å; L1122-L1250 HydrophobicContact CD2-CD1 4.06Å; N1130-L1250 HydrophobicContact CB-CD2 4.25Å; Y1131-L1250 HydrophobicContact CD2-CD1 3.93Å; R1246-L1250 PolarHBondContact O-N 3.4Å; N1247-L1250 WeakPolarHBondContact O-CB 3.43Å; N1247-L1250 PolarHBondContact O-N 2.92Å; Q1248-L1250 VanDerWaalsContact C-N 3.34Å; L1250-R1252 VanDerWaalsContact C-N 3.27Å; L1250-R1252 PolarHBondContact O-N 2.97Å; L1250-N1253 PolarHBondContact O-N 2.82Å; L1250-M1254 HydrophobicContact CD1-CG 4.27Å; L1250-M1254 VanDerWaalsContact O-CB 3.3Å; L1250-M1254 WeakPolarHBondContact O-CB 3.42Å; L1250-M1254 WeakPolarHBondContact O-CG 3.3Å; L1250-M1254 PolarHBondContact O-N 3.02Å |
| 1251 | L | 85.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -34.3 | 177.4 | -67.9 | 165 | 0 | 0 | 0 | 112.1 | V1134 W1232 C1236 N1247 Q1248 R1255 V1256 F1286 F1290 | V1134-L1251 HydrophobicContact CG1-CD2 3.89Å; V1134-L1251 HydrophobicContact CG2-CD2 3.84Å; W1232-L1251 HydrophobicContact CG-CD2 4.36Å; C1236-L1251 VanDerWaalsContact SG-CD1 3.52Å; N1247-L1251 VanDerWaalsContact O-CG 3.26Å; N1247-L1251 WeakPolarHBondContact O-CG 3.16Å; N1247-L1251 PolarHBondContact O-N 3.34Å; Q1248-L1251 PolarHBondContact O-N 2.79Å; L1251-R1255 PolarHBondContact O-N 3.28Å; L1251-V1256 HydrophobicContact CB-CB 4.48Å; L1251-V1256 HydrophobicContact CB-CG2 4.47Å; L1251-V1256 HydrophobicContact CD2-CB 4.25Å; L1251-V1256 HydrophobicContact CD2-CG1 4.26Å; L1251-V1256 HydrophobicContact CD2-CG2 3.88Å; L1251-V1256 PolarHBondContact O-N 2.79Å; L1251-V1256 VanDerWaalsContact O-N 3.07Å; L1251-F1286 HydrophobicContact CD1-CE2 4.04Å; L1251-F1290 HydrophobicContact CB-CD2 4.04Å; L1251-F1290 HydrophobicContact CB-CE2 3.84Å; L1251-F1290 HydrophobicContact CD1-CD2 4.47Å |
| 1252 | R | 83.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 38 Ų | 38 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.4 | -53.1 | 173.9 | -179.3 | -179.3 | 63.4 | -156 | 18.9 | 111.6 | Q1248 Q1249 L1250 M1254 R1255 F1290 E1296 N1297 L1300 | Q1248-R1252 PolarHBondContact O-N 2.81Å; Q1249-R1252 WeakPolarHBondContact O-CB 3.46Å; Q1249-R1252 PolarHBondContact O-N 2.97Å; L1250-R1252 VanDerWaalsContact C-N 3.27Å; L1250-R1252 PolarHBondContact O-N 2.97Å; R1252-M1254 PolarHBondContact O-N 3.14Å; R1252-R1255 WeakPolarHBondContact O-CA 3.08Å; R1252-R1255 PolarHBondContact O-N 3.4Å; R1252-F1290 HydrophobicContact CB-CE2 4.12Å; R1252-F1290 HydrophobicContact CB-CZ 3.88Å; R1252-F1290 HydrophobicContact CG-CZ 4.46Å; R1252-E1296 IonicContact CZ-OE2 3.82Å; R1252-E1296 IonicContact NH1-OE2 3.58Å; R1252-E1296 PolarHBondContact NH1-OE2 2.86Å; R1252-E1296 IonicContact NH2-OE2 3.96Å; R1252-E1296 PolarHBondContact NH2-OE2 3.09Å; R1252-N1297 WeakPolarHBondContact CD-OD1 3.37Å; R1252-N1297 PolarHBondContact NH1-OD1 3.08Å; R1252-N1297 VanDerWaalsContact NH1-OD1 3.11Å; R1252-L1300 HydrophobicContact CG-CD1 4.03Å |
| 1253 | N | 81.4 | Confident | 81.7 | Confident | 26 Ų | 26 | 30.8 Ų | 30.8 | 14% | 0.139 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -27.4 | -177.4 | -75.9 | 1.3 | 0 | 0 | 0 | 112 | A847 Q1118 Q1249 L1250 R1255 | A847-N1253 HydrophobicContact CB-CB 4.44Å; Q1118-N1253 PolarHBondContact O-ND2 2.99Å; Q1249-N1253 WeakPolarHBondContact O-CB 3.5Å; Q1249-N1253 PolarHBondContact O-N 3.07Å; L1250-N1253 PolarHBondContact O-N 2.82Å; N1253-R1255 VanDerWaalsContact C-N 3.31Å |
| 1254 | M | 80.2 | Confident | 82 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.3 | 171.4 | -68.3 | -66.1 | -73.2 | 0 | 0 | 114 | A847 Y1131 V1134 H1135 L1138 L1250 R1252 V1256 | A847-M1254 HydrophobicContact CB-SD 4.32Å; Y1131-M1254 HydrophobicContact CD2-CE 4.44Å; Y1131-M1254 HydrophobicContact CD2-SD 4.07Å; Y1131-M1254 HydrophobicContact CE2-CE 3.97Å; Y1131-M1254 HydrophobicContact CE2-SD 3.52Å; Y1131-M1254 VanDerWaalsContact CE2-SD 3.52Å; V1134-M1254 HydrophobicContact CG1-CB 4.32Å; V1134-M1254 HydrophobicContact CG1-CG 4.35Å; H1135-M1254 HydrophobicContact CB-CE 3.83Å; L1138-M1254 WeakPolarHBondContact CD2-O 3.34Å; L1250-M1254 HydrophobicContact CD1-CG 4.27Å; L1250-M1254 VanDerWaalsContact O-CB 3.3Å; L1250-M1254 WeakPolarHBondContact O-CB 3.42Å; L1250-M1254 WeakPolarHBondContact O-CG 3.3Å; L1250-M1254 PolarHBondContact O-N 3.02Å; R1252-M1254 PolarHBondContact O-N 3.14Å; M1254-V1256 VanDerWaalsContact C-N 3.28Å; M1254-V1256 HydrophobicContact CB-CG2 3.97Å; M1254-V1256 PolarHBondContact O-N 3.23Å |
| 1255 | R | 82.8 | Confident | 81.8 | Confident | 99 Ų | 99 | 30.2 Ų | 30.2 | 37% | 0.374 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.5 | 178.9 | -59.8 | 175.9 | 82.8 | -171.3 | -0.7 | 113.9 | L1251 R1252 N1253 H1257 E1258 | L1251-R1255 PolarHBondContact O-N 3.28Å; R1252-R1255 WeakPolarHBondContact O-CA 3.08Å; R1252-R1255 PolarHBondContact O-N 3.4Å; N1253-R1255 VanDerWaalsContact C-N 3.31Å; R1255-H1257 VanDerWaalsContact C-N 3.28Å; R1255-H1257 PolarHBondContact O-N 2.93Å; R1255-E1258 HydrophobicContact CB-CG 3.99Å; R1255-E1258 VanDerWaalsContact CZ-CD 3.47Å; R1255-E1258 IonicContact CZ-OE1 3.6Å; R1255-E1258 IonicContact CZ-OE2 3.86Å; R1255-E1258 IonicContact NE-OE1 3.18Å; R1255-E1258 PolarHBondContact NE-OE1 3.05Å; R1255-E1258 IonicContact NE-OE2 3.26Å; R1255-E1258 PolarHBondContact NE-OE2 2.95Å; R1255-E1258 IonicContact NH1-OE2 2.73Å; R1255-E1258 IonicContact NH2-OE1 3.07Å; R1255-E1258 PolarHBondContact NH2-OE1 3.25Å; R1255-E1258 IonicContact NH2-OE2 2.81Å; R1255-E1258 PolarHBondContact NH2-OE2 3.3Å; R1255-E1258 PolarHBondContact O-N 3.45Å |
| 1256 | V | 84.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -34.5 | -178.9 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | V1134 L1138 W1232 L1251 M1254 E1258 A1259 T1260 F1286 | V1134-V1256 HydrophobicContact CG1-CG2 3.77Å; L1138-V1256 HydrophobicContact CD1-CG2 4.25Å; L1138-V1256 HydrophobicContact CD2-CG2 4.32Å; W1232-V1256 HydrophobicContact CD2-CG1 3.81Å; W1232-V1256 HydrophobicContact CE3-CG1 3.42Å; W1232-V1256 VanDerWaalsContact CE3-CG1 3.42Å; W1232-V1256 HydrophobicContact CH2-CG1 3.46Å; W1232-V1256 VanDerWaalsContact CH2-CG1 3.46Å; W1232-V1256 HydrophobicContact CZ2-CG1 3.82Å; W1232-V1256 HydrophobicContact CZ3-CG1 3.24Å; L1251-V1256 HydrophobicContact CB-CB 4.48Å; L1251-V1256 HydrophobicContact CB-CG2 4.47Å; L1251-V1256 HydrophobicContact CD2-CB 4.25Å; L1251-V1256 HydrophobicContact CD2-CG1 4.26Å; L1251-V1256 HydrophobicContact CD2-CG2 3.88Å; L1251-V1256 PolarHBondContact O-N 2.79Å; L1251-V1256 VanDerWaalsContact O-N 3.07Å; M1254-V1256 VanDerWaalsContact C-N 3.28Å; M1254-V1256 HydrophobicContact CB-CG2 3.97Å; M1254-V1256 PolarHBondContact O-N 3.23Å; V1256-E1258 VanDerWaalsContact C-N 3.26Å; V1256-E1258 PolarHBondContact O-N 3.36Å; V1256-A1259 PolarHBondContact O-N 2.91Å; V1256-T1260 PolarHBondContact O-N 3.05Å; V1256-T1260 VanDerWaalsContact O-N 3.1Å; V1256-T1260 PolarHBondContact O-OG1 3.39Å; V1256-F1286 HydrophobicContact CB-CZ 4.47Å; V1256-F1286 HydrophobicContact CG1-CE1 4.17Å; V1256-F1286 HydrophobicContact CG1-CZ 3.72Å |
| 1257 | H | 84.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -34.8 | 176.6 | 56.8 | -88 | 0 | 0 | 0 | 112.5 | R1255 T1260 I1261 L1287 F1290 L1300 L1301 | R1255-H1257 VanDerWaalsContact C-N 3.28Å; R1255-H1257 PolarHBondContact O-N 2.93Å; H1257-T1260 PolarHBondContact O-N 2.89Å; H1257-I1261 VanDerWaalsContact O-CG1 3.3Å; H1257-I1261 WeakPolarHBondContact O-CG1 3.42Å; H1257-I1261 PolarHBondContact O-N 2.86Å; H1257-L1287 HydrophobicContact CB-CD2 4.48Å; H1257-F1290 HydrophobicContact CB-CE1 4.16Å; H1257-F1290 HydrophobicContact CB-CZ 4.43Å; H1257-F1290 AromaticContact ND1-CZ 3.96Å; H1257-L1300 WeakPolarHBondContact CD2-CD2 3.26Å; H1257-L1300 VanDerWaalsContact NE2-CD2 3.28Å; H1257-L1300 WeakPolarHBondContact NE2-CD2 3.37Å; H1257-L1301 HydrophobicContact CB-CD2 4.2Å |
| 1258 | E | 81.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 27.1 Ų | 27.1 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.1 | -44.2 | 179.4 | -47.7 | -168.4 | 152.8 | 0 | 0 | 111.8 | R1255 V1256 T1260 I1261 A1262 R1304 | R1255-E1258 HydrophobicContact CB-CG 3.99Å; R1255-E1258 VanDerWaalsContact CZ-CD 3.47Å; R1255-E1258 IonicContact CZ-OE1 3.6Å; R1255-E1258 IonicContact CZ-OE2 3.86Å; R1255-E1258 IonicContact NE-OE1 3.18Å; R1255-E1258 PolarHBondContact NE-OE1 3.05Å; R1255-E1258 IonicContact NE-OE2 3.26Å; R1255-E1258 PolarHBondContact NE-OE2 2.95Å; R1255-E1258 IonicContact NH1-OE2 2.73Å; R1255-E1258 IonicContact NH2-OE1 3.07Å; R1255-E1258 PolarHBondContact NH2-OE1 3.25Å; R1255-E1258 IonicContact NH2-OE2 2.81Å; R1255-E1258 PolarHBondContact NH2-OE2 3.3Å; R1255-E1258 PolarHBondContact O-N 3.45Å; V1256-E1258 VanDerWaalsContact C-N 3.26Å; V1256-E1258 PolarHBondContact O-N 3.36Å; E1258-T1260 PolarHBondContact O-N 2.77Å; E1258-I1261 PolarHBondContact O-N 2.73Å; E1258-A1262 WeakPolarHBondContact O-CB 3.43Å; E1258-A1262 PolarHBondContact O-N 2.93Å; E1258-R1304 VanDerWaalsContact CG-NH1 3.33Å; E1258-R1304 IonicContact OE1-CZ 3.86Å; E1258-R1304 IonicContact OE1-NH1 3.45Å; E1258-R1304 PolarHBondContact OE1-NH1 3.36Å; E1258-R1304 IonicContact OE1-NH2 3.16Å; E1258-R1304 PolarHBondContact OE1-NH2 3Å |
| 1259 | A | 80.3 | Confident | 79.5 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1138 L1141 K1142 V1256 F1263 | L1138-A1259 HydrophobicContact CD1-CB 3.55Å; L1141-A1259 HydrophobicContact CD2-CB 4Å; K1142-A1259 HydrophobicContact CG-CB 3.85Å; V1256-A1259 PolarHBondContact O-N 2.91Å; A1259-F1263 PolarHBondContact O-N 3.26Å |
| 1260 | T | 85.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.1 | -41.2 | 176.6 | -51.4 | 0 | 0 | 0 | 0 | 112 | F1229 V1256 H1257 E1258 A1262 F1263 L1264 A1283 F1286 L1287 | F1229-T1260 HydrophobicContact CE1-CG2 3.85Å; F1229-T1260 HydrophobicContact CZ-CG2 4.46Å; V1256-T1260 PolarHBondContact O-N 3.05Å; V1256-T1260 VanDerWaalsContact O-N 3.1Å; V1256-T1260 PolarHBondContact O-OG1 3.39Å; H1257-T1260 PolarHBondContact O-N 2.89Å; E1258-T1260 PolarHBondContact O-N 2.77Å; T1260-A1262 VanDerWaalsContact C-N 3.32Å; T1260-F1263 WeakPolarHBondContact O-CB 3.34Å; T1260-F1263 PolarHBondContact O-N 3.12Å; T1260-L1264 WeakPolarHBondContact O-CG 3.4Å; T1260-L1264 PolarHBondContact O-N 3.44Å; T1260-A1283 HydrophobicContact CG2-CB 3.89Å; T1260-F1286 HydrophobicContact CG2-CD1 4.04Å; T1260-F1286 HydrophobicContact CG2-CE1 4.31Å; T1260-F1286 WeakPolarHBondContact OG1-CE1 3.34Å; T1260-L1287 HydrophobicContact CG2-CD1 4.32Å; T1260-L1287 HydrophobicContact CG2-CD2 4.26Å; T1260-L1287 HydrophobicContact CG2-CG 4.16Å |
| 1261 | I | 80 | Confident | 77.7 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 174.6 | -64.8 | 163.9 | 0 | 0 | 0 | 110.7 | H1257 E1258 F1263 L1264 S1265 L1301 R1304 | H1257-I1261 VanDerWaalsContact O-CG1 3.3Å; H1257-I1261 WeakPolarHBondContact O-CG1 3.42Å; H1257-I1261 PolarHBondContact O-N 2.86Å; E1258-I1261 PolarHBondContact O-N 2.73Å; I1261-F1263 VanDerWaalsContact C-N 3.32Å; I1261-F1263 PolarHBondContact O-N 3.21Å; I1261-L1264 PolarHBondContact O-N 2.89Å; I1261-S1265 PolarHBondContact O-N 2.81Å; I1261-S1265 VanDerWaalsContact O-N 3.08Å; I1261-S1265 PolarHBondContact O-OG 2.96Å; I1261-L1301 HydrophobicContact CD1-CD2 4.08Å; I1261-R1304 HydrophobicContact CD1-CB 4.44Å |
| 1262 | A | 76.1 | Confident | 76.6 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1258 T1260 S1265 | E1258-A1262 WeakPolarHBondContact O-CB 3.43Å; E1258-A1262 PolarHBondContact O-N 2.93Å; T1260-A1262 VanDerWaalsContact C-N 3.32Å; A1262-S1265 WeakPolarHBondContact O-CB 3.27Å; A1262-S1265 PolarHBondContact O-N 3.03Å |
| 1263 | F | 85.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 173 | 176.1 | -104.6 | 0 | 0 | 0 | 112.9 | L1141 T1145 W1151 L1225 F1229 A1259 T1260 I1261 S1265 I1266 M1276 L1279 F1280 A1283 | L1141-F1263 HydrophobicContact CD1-CB 4.34Å; L1141-F1263 HydrophobicContact CD1-CD2 4.31Å; L1141-F1263 HydrophobicContact CD1-CG 4.36Å; T1145-F1263 HydrophobicContact CG2-CB 3.48Å; T1145-F1263 VanDerWaalsContact CG2-CB 3.48Å; T1145-F1263 HydrophobicContact CG2-CD2 3.8Å; T1145-F1263 HydrophobicContact CG2-CG 4.12Å; W1151-F1263 HydrophobicContact CH2-CE2 4.31Å; L1225-F1263 HydrophobicContact CD1-CE2 3.81Å; L1225-F1263 HydrophobicContact CD1-CZ 4.35Å; F1229-F1263 AromaticContact CE2-CD1 3.84Å; F1229-F1263 HydrophobicContact CE2-CD1 3.84Å; F1229-F1263 AromaticContact CE2-CE1 3.66Å; F1229-F1263 HydrophobicContact CE2-CE1 3.66Å; F1229-F1263 HydrophobicContact CE2-CG 4.47Å; F1229-F1263 HydrophobicContact CE2-CZ 4.2Å; F1229-F1263 AromaticContact CZ-CD1 3.61Å; F1229-F1263 HydrophobicContact CZ-CD1 3.61Å; F1229-F1263 AromaticContact CZ-CE1 3.95Å; F1229-F1263 HydrophobicContact CZ-CE1 3.95Å; F1229-F1263 HydrophobicContact CZ-CG 4.08Å; A1259-F1263 PolarHBondContact O-N 3.26Å; T1260-F1263 WeakPolarHBondContact O-CB 3.34Å; T1260-F1263 PolarHBondContact O-N 3.12Å; I1261-F1263 VanDerWaalsContact C-N 3.32Å; I1261-F1263 PolarHBondContact O-N 3.21Å; F1263-S1265 PolarHBondContact O-N 3.4Å; F1263-I1266 HydrophobicContact CD2-CD1 3.62Å; F1263-I1266 HydrophobicContact CE2-CD1 4.17Å; F1263-I1266 HydrophobicContact CG-CD1 4.37Å; F1263-I1266 WeakPolarHBondContact O-CB 3.26Å; F1263-I1266 WeakPolarHBondContact O-CD1 3.2Å; F1263-I1266 VanDerWaalsContact O-CG1 3.27Å; F1263-I1266 WeakPolarHBondContact O-CG1 2.81Å; F1263-I1266 PolarHBondContact O-N 2.89Å; F1263-I1266 VanDerWaalsContact O-N 3.1Å; F1263-M1276 HydrophobicContact CE2-CE 4.49Å; F1263-M1276 HydrophobicContact CZ-CE 4.43Å; F1263-M1276 HydrophobicContact CZ-SD 4.38Å; F1263-L1279 HydrophobicContact CE1-CB 4.14Å; F1263-L1279 HydrophobicContact CZ-CB 3.82Å; F1263-L1279 HydrophobicContact CZ-CD1 4.34Å; F1263-F1280 HydrophobicContact CD1-CD1 4.2Å; F1263-F1280 HydrophobicContact CD1-CE1 4.09Å; F1263-F1280 AromaticContact CE1-CD1 3.47Å; F1263-F1280 HydrophobicContact CE1-CD1 3.47Å; F1263-F1280 VanDerWaalsContact CE1-CD1 3.47Å; F1263-F1280 AromaticContact CE1-CE1 3.61Å; F1263-F1280 HydrophobicContact CE1-CE1 3.61Å; F1263-F1280 HydrophobicContact CE2-CE1 4.41Å; F1263-F1280 AromaticContact CZ-CD1 3.87Å; F1263-F1280 HydrophobicContact CZ-CD1 3.87Å; F1263-F1280 AromaticContact CZ-CE1 3.77Å; F1263-F1280 HydrophobicContact CZ-CE1 3.77Å; F1263-A1283 HydrophobicContact CD1-CB 4.15Å; F1263-A1283 HydrophobicContact CE1-CB 4.31Å |
| 1264 | L | 80.8 | Confident | 75.4 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -20.7 | 177.5 | -70.7 | 172.7 | 0 | 0 | 0 | 112.8 | T1260 I1261 I1266 F1280 A1283 L1287 L1317 | T1260-L1264 WeakPolarHBondContact O-CG 3.4Å; T1260-L1264 PolarHBondContact O-N 3.44Å; I1261-L1264 PolarHBondContact O-N 2.89Å; L1264-I1266 VanDerWaalsContact C-N 3.29Å; L1264-I1266 PolarHBondContact O-N 2.87Å; L1264-F1280 HydrophobicContact CD2-CB 4Å; L1264-F1280 HydrophobicContact CD2-CD1 4.19Å; L1264-F1280 HydrophobicContact CD2-CD2 4Å; L1264-F1280 HydrophobicContact CD2-CE2 4.48Å; L1264-F1280 HydrophobicContact CD2-CG 3.82Å; L1264-F1280 WeakPolarHBondContact O-CE2 3.37Å; L1264-A1283 HydrophobicContact CD2-CB 3.92Å; L1264-A1283 HydrophobicContact CG-CB 4.32Å; L1264-L1287 HydrophobicContact CD1-CD1 3.8Å; L1264-L1317 HydrophobicContact CD1-CD1 3.8Å |
| 1265 | S | 76.4 | Confident | 75.1 | Confident | 36 Ų | 36 | 50.8 Ų | 50.8 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.3 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | I1261 A1262 F1263 P1267 | I1261-S1265 PolarHBondContact O-N 2.81Å; I1261-S1265 VanDerWaalsContact O-N 3.08Å; I1261-S1265 PolarHBondContact O-OG 2.96Å; A1262-S1265 WeakPolarHBondContact O-CB 3.27Å; A1262-S1265 PolarHBondContact O-N 3.03Å; F1263-S1265 PolarHBondContact O-N 3.4Å; S1265-P1267 WeakPolarHBondContact O-CD 3.3Å |
| 1266 | I | 76.3 | Confident | 75 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | trans | -73.1 | 121.2 | -178.1 | -64.8 | 166.8 | 0 | 0 | 0 | 110.5 | T1145 V1152 F1263 L1264 M1276 | T1145-I1266 HydrophobicContact CG2-CD1 4.08Å; V1152-I1266 HydrophobicContact CG2-CG2 4.22Å; F1263-I1266 HydrophobicContact CD2-CD1 3.62Å; F1263-I1266 HydrophobicContact CE2-CD1 4.17Å; F1263-I1266 HydrophobicContact CG-CD1 4.37Å; F1263-I1266 WeakPolarHBondContact O-CB 3.26Å; F1263-I1266 WeakPolarHBondContact O-CD1 3.2Å; F1263-I1266 VanDerWaalsContact O-CG1 3.27Å; F1263-I1266 WeakPolarHBondContact O-CG1 2.81Å; F1263-I1266 PolarHBondContact O-N 2.89Å; F1263-I1266 VanDerWaalsContact O-N 3.1Å; L1264-I1266 VanDerWaalsContact C-N 3.29Å; L1264-I1266 PolarHBondContact O-N 2.87Å; I1266-M1276 HydrophobicContact CG2-CE 4.19Å | ||
| 1267 | P | 68.4 | Low | 74.5 | Confident | 119 Ų | 119 | 48.8 Ų | 48.8 | 77% | 0.773 | 26% | 0.255 | S | S | * | . | trans | -73.8 | 134.4 | 175.4 | 29.8 | -32.9 | 0 | 0 | 0 | 111.3 | S1265 | S1265-P1267 WeakPolarHBondContact O-CD 3.3Š| ||
| 1268 | F | 69.5 | Low | 74.4 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | trans | -142 | 155.5 | 174.8 | 70.6 | -85.1 | 0 | 0 | 0 | 111.8 | V1152 K1270 D1273 M1276 P1277 F1280 | V1152-F1268 HydrophobicContact CG1-CB 3.78Å; F1268-K1270 HydrophobicContact CD2-CG 4.38Å; F1268-K1270 HydrophobicContact CE2-CB 4.39Å; F1268-K1270 HydrophobicContact CE2-CG 3.72Å; F1268-K1270 HydrophobicContact CZ-CG 4.11Å; F1268-K1270 PolarHBondContact O-N 2.66Å; F1268-D1273 HydrophobicContact CD2-CB 4.19Å; F1268-M1276 HydrophobicContact CB-CB 4.46Å; F1268-M1276 HydrophobicContact CB-CE 4.27Å; F1268-M1276 HydrophobicContact CB-CG 4.27Å; F1268-M1276 HydrophobicContact CD1-CB 4.02Å; F1268-M1276 HydrophobicContact CD1-CE 3.89Å; F1268-M1276 HydrophobicContact CD1-CG 4.49Å; F1268-M1276 HydrophobicContact CD2-CB 3.55Å; F1268-M1276 HydrophobicContact CD2-CG 4.22Å; F1268-M1276 HydrophobicContact CE1-CB 4.11Å; F1268-M1276 HydrophobicContact CE2-CB 3.64Å; F1268-M1276 HydrophobicContact CG-CB 3.74Å; F1268-M1276 HydrophobicContact CG-CE 4.21Å; F1268-M1276 HydrophobicContact CG-CG 4.08Å; F1268-M1276 HydrophobicContact CZ-CB 3.93Å; F1268-P1277 HydrophobicContact CE2-CG 3.71Å; F1268-P1277 HydrophobicContact CZ-CG 3.84Å; F1268-F1280 HydrophobicContact CD1-CE2 4.14Å; F1268-F1280 HydrophobicContact CD1-CZ 4.01Å; F1268-F1280 AromaticContact CE1-CD2 3.91Å; F1268-F1280 HydrophobicContact CE1-CD2 3.91Å; F1268-F1280 HydrophobicContact CE1-CE1 4.42Å; F1268-F1280 AromaticContact CE1-CE2 3.55Å; F1268-F1280 HydrophobicContact CE1-CE2 3.55Å; F1268-F1280 HydrophobicContact CE1-CG 4.49Å; F1268-F1280 AromaticContact CE1-CZ 3.84Å; F1268-F1280 HydrophobicContact CE1-CZ 3.84Å | ||
| 1269 | D | 62.4 | Low | 74.5 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | trans | -84.7 | 106.7 | 175.5 | -172.8 | -14.7 | 0 | 0 | 0 | 110.7 | K1271 V1272 D1273 | D1269-K1271 PolarHBondContact O-N 2.68Å; D1269-K1271 VanDerWaalsContact O-N 3.11Å; D1269-K1271 WeakPolarHBondContact OD1-CB 3.37Å; D1269-K1271 PolarHBondContact OD1-N 3.32Å; D1269-V1272 HydrophobicContact CB-CB 4.27Å; D1269-V1272 HydrophobicContact CB-CG2 4.23Å; D1269-V1272 PolarHBondContact O-N 2.95Å; D1269-V1272 WeakPolarHBondContact OD2-CG2 3.47Å; D1269-D1273 PolarHBondContact O-N 2.81Å | ||
| 1270 | K | 65 | Low | 74.6 | Confident | 108 Ų | 108 | 53.9 Ų | 53.9 | 47% | 0.47 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.4 | 179.9 | -63.1 | -179 | 179.2 | -178 | 0 | 113.9 | F1268 E1321 | F1268-K1270 HydrophobicContact CD2-CG 4.38Å; F1268-K1270 HydrophobicContact CE2-CB 4.39Å; F1268-K1270 HydrophobicContact CE2-CG 3.72Å; F1268-K1270 HydrophobicContact CZ-CG 4.11Å; F1268-K1270 PolarHBondContact O-N 2.66Å; K1270-E1321 IonicContact NZ-OE1 2.66Å; K1270-E1321 PolarHBondContact NZ-OE1 3.26Å; K1270-E1321 IonicContact NZ-OE2 3.9Å; K1270-E1321 PolarHBondContact NZ-OE2 3.42Å |
| 1271 | K | 62 | Low | 74.4 | Confident | 190 Ų | 190 | 58.9 Ų | 58.9 | 83% | 0.826 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -27.7 | 179.4 | -65.9 | -178.6 | -179.7 | 176.3 | 0 | 112.3 | D1269 | D1269-K1271 PolarHBondContact O-N 2.68Å; D1269-K1271 VanDerWaalsContact O-N 3.11Å; D1269-K1271 WeakPolarHBondContact OD1-CB 3.37Å; D1269-K1271 PolarHBondContact OD1-N 3.32Å |
| 1272 | V | 61.8 | Low | 74.6 | Confident | 65 Ų | 65 | 60 Ų | 60 | 39% | 0.394 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -45.2 | -174.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | D1269 | D1269-V1272 HydrophobicContact CB-CB 4.27Å; D1269-V1272 HydrophobicContact CB-CG2 4.23Å; D1269-V1272 PolarHBondContact O-N 2.95Å; D1269-V1272 WeakPolarHBondContact OD2-CG2 3.47Å |
| 1273 | D | 67.6 | Low | 75.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | trans | -100.6 | 91.9 | -174.5 | -154.4 | -33.4 | 0 | 0 | 0 | 111.8 | R1222 F1268 D1269 D1275 M1276 P1277 | R1222-D1273 IonicContact CZ-OD1 2.65Å; R1222-D1273 IonicContact CZ-OD2 2.81Å; R1222-D1273 IonicContact NE-OD1 2.66Å; R1222-D1273 IonicContact NE-OD2 2.59Å; R1222-D1273 IonicContact NH2-OD1 3.05Å; R1222-D1273 PolarHBondContact NH2-OD1 2.78Å; R1222-D1273 IonicContact NH2-OD2 3.84Å; R1222-D1273 PolarHBondContact NH2-OD2 3.42Å; F1268-D1273 HydrophobicContact CD2-CB 4.19Å; D1269-D1273 PolarHBondContact O-N 2.81Å; D1273-D1275 VanDerWaalsContact C-N 3.29Å; D1273-D1275 PolarHBondContact O-N 3.29Å; D1273-D1275 PolarHBondContact OD1-N 3.36Å; D1273-M1276 HydrophobicContact CB-CB 4.3Å; D1273-M1276 HydrophobicContact CB-CG 4.2Å; D1273-M1276 VanDerWaalsContact CG-CG 3.44Å; D1273-M1276 PolarHBondContact OD1-N 2.97Å; D1273-M1276 WeakPolarHBondContact OD2-CG 3.47Å; D1273-P1277 VanDerWaalsContact O-CD 3.27Å; D1273-P1277 WeakPolarHBondContact O-CD 3.44Å | ||
| 1274 | K | 71.4 | Confident | 75.1 | Confident | 165 Ų | 165 | 58.8 Ų | 58.8 | 72% | 0.717 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -76.6 | -13.3 | 178.9 | -65.5 | -173 | 179.4 | -176.6 | 0 | 113.9 | ||
| 1275 | D | 75.4 | Confident | 75.3 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -93.6 | -31.6 | -176.9 | -64.4 | -36.7 | 0 | 0 | 0 | 112.1 | R1222 D1273 K1278 L1279 | R1222-D1275 IonicContact CZ-OD2 2.71Å; R1222-D1275 IonicContact NH1-OD2 3.97Å; R1222-D1275 PolarHBondContact NH1-OD2 2.87Å; D1273-D1275 VanDerWaalsContact C-N 3.29Å; D1273-D1275 PolarHBondContact O-N 3.29Å; D1273-D1275 PolarHBondContact OD1-N 3.36Å; D1275-K1278 WeakPolarHBondContact O-CB 3.16Å; D1275-K1278 PolarHBondContact O-N 3.17Å; D1275-L1279 PolarHBondContact O-N 3.17Å; D1275-L1279 VanDerWaalsContact O-N 3.14Å |
| 1276 | M | 78.9 | Confident | 76 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.3 | -44.3 | 177.5 | -83 | -66.1 | -78.3 | 0 | 0 | 114.5 | W1151 V1152 F1263 I1266 F1268 D1273 K1278 L1279 F1280 | W1151-M1276 HydrophobicContact CH2-SD 4.2Å; W1151-M1276 HydrophobicContact CZ3-SD 4.13Å; V1152-M1276 HydrophobicContact CG2-CE 4.43Å; F1263-M1276 HydrophobicContact CE2-CE 4.49Å; F1263-M1276 HydrophobicContact CZ-CE 4.43Å; F1263-M1276 HydrophobicContact CZ-SD 4.38Å; I1266-M1276 HydrophobicContact CG2-CE 4.19Å; F1268-M1276 HydrophobicContact CB-CB 4.46Å; F1268-M1276 HydrophobicContact CB-CE 4.27Å; F1268-M1276 HydrophobicContact CB-CG 4.27Å; F1268-M1276 HydrophobicContact CD1-CB 4.02Å; F1268-M1276 HydrophobicContact CD1-CE 3.89Å; F1268-M1276 HydrophobicContact CD1-CG 4.49Å; F1268-M1276 HydrophobicContact CD2-CB 3.55Å; F1268-M1276 HydrophobicContact CD2-CG 4.22Å; F1268-M1276 HydrophobicContact CE1-CB 4.11Å; F1268-M1276 HydrophobicContact CE2-CB 3.64Å; F1268-M1276 HydrophobicContact CG-CB 3.74Å; F1268-M1276 HydrophobicContact CG-CE 4.21Å; F1268-M1276 HydrophobicContact CG-CG 4.08Å; F1268-M1276 HydrophobicContact CZ-CB 3.93Å; D1273-M1276 HydrophobicContact CB-CB 4.3Å; D1273-M1276 HydrophobicContact CB-CG 4.2Å; D1273-M1276 VanDerWaalsContact CG-CG 3.44Å; D1273-M1276 PolarHBondContact OD1-N 2.97Å; D1273-M1276 WeakPolarHBondContact OD2-CG 3.47Å; M1276-K1278 VanDerWaalsContact C-N 3.25Å; M1276-K1278 PolarHBondContact O-N 2.91Å; M1276-L1279 WeakPolarHBondContact O-CB 3.47Å; M1276-L1279 PolarHBondContact O-N 3.09Å; M1276-L1279 VanDerWaalsContact O-N 3.1Å; M1276-L1279 HydrophobicContact SD-CD1 4.07Å; M1276-F1280 HydrophobicContact CE-CD1 4.26Å; M1276-F1280 HydrophobicContact CE-CE1 3.43Å; M1276-F1280 VanDerWaalsContact CE-CE1 3.43Å; M1276-F1280 HydrophobicContact CE-CZ 3.92Å; M1276-F1280 WeakPolarHBondContact O-CD1 3.44Å; M1276-F1280 PolarHBondContact O-N 2.7Å |
| 1277 | P | 75.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.3 | -35.9 | 174.7 | -24.9 | 33.9 | 0 | 0 | 0 | 113.3 | F1268 D1273 F1280 E1281 | F1268-P1277 HydrophobicContact CE2-CG 3.71Å; F1268-P1277 HydrophobicContact CZ-CG 3.84Å; D1273-P1277 VanDerWaalsContact O-CD 3.27Å; D1273-P1277 WeakPolarHBondContact O-CD 3.44Å; P1277-F1280 PolarHBondContact O-N 2.99Å; P1277-E1281 WeakPolarHBondContact O-CB 3.43Å; P1277-E1281 PolarHBondContact O-N 3.5Å |
| 1278 | K | 81 | Confident | 77.3 | Confident | 117 Ų | 117 | 53 Ų | 53 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.3 | -35.7 | 177.3 | -59.6 | 177.6 | -177.4 | 168.7 | 0 | 111.7 | D1275 M1276 Q1282 | D1275-K1278 WeakPolarHBondContact O-CB 3.16Å; D1275-K1278 PolarHBondContact O-N 3.17Å; M1276-K1278 VanDerWaalsContact C-N 3.25Å; M1276-K1278 PolarHBondContact O-N 2.91Å; K1278-Q1282 WeakPolarHBondContact O-CG 3.45Å; K1278-Q1282 PolarHBondContact O-N 2.77Å |
| 1279 | L | 83.7 | Confident | 78 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -41 | 174.3 | -67 | 173.8 | 0 | 0 | 0 | 111.2 | R1222 L1225 Y1226 F1263 D1275 M1276 E1281 Q1282 A1283 | R1222-L1279 HydrophobicContact CB-CD1 4.18Å; R1222-L1279 HydrophobicContact CG-CD1 4.05Å; L1225-L1279 HydrophobicContact CB-CD1 4.44Å; L1225-L1279 HydrophobicContact CB-CD2 4.05Å; L1225-L1279 HydrophobicContact CD1-CD1 4.31Å; Y1226-L1279 HydrophobicContact CD2-CD2 4.29Å; F1263-L1279 HydrophobicContact CE1-CB 4.14Å; F1263-L1279 HydrophobicContact CZ-CB 3.82Å; F1263-L1279 HydrophobicContact CZ-CD1 4.34Å; D1275-L1279 PolarHBondContact O-N 3.17Å; D1275-L1279 VanDerWaalsContact O-N 3.14Å; M1276-L1279 WeakPolarHBondContact O-CB 3.47Å; M1276-L1279 PolarHBondContact O-N 3.09Å; M1276-L1279 VanDerWaalsContact O-N 3.1Å; M1276-L1279 HydrophobicContact SD-CD1 4.07Å; L1279-E1281 VanDerWaalsContact C-N 3.33Å; L1279-Q1282 PolarHBondContact O-N 2.95Å; L1279-A1283 WeakPolarHBondContact O-CB 3.09Å; L1279-A1283 PolarHBondContact O-N 2.87Å |
| 1280 | F | 83.2 | Confident | 79.3 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 175.4 | -81 | 26.1 | 0 | 0 | 0 | 110.4 | F1263 L1264 F1268 M1276 P1277 Q1282 A1283 H1284 | F1263-F1280 HydrophobicContact CD1-CD1 4.2Å; F1263-F1280 HydrophobicContact CD1-CE1 4.09Å; F1263-F1280 AromaticContact CE1-CD1 3.47Å; F1263-F1280 HydrophobicContact CE1-CD1 3.47Å; F1263-F1280 VanDerWaalsContact CE1-CD1 3.47Å; F1263-F1280 AromaticContact CE1-CE1 3.61Å; F1263-F1280 HydrophobicContact CE1-CE1 3.61Å; F1263-F1280 HydrophobicContact CE2-CE1 4.41Å; F1263-F1280 AromaticContact CZ-CD1 3.87Å; F1263-F1280 HydrophobicContact CZ-CD1 3.87Å; F1263-F1280 AromaticContact CZ-CE1 3.77Å; F1263-F1280 HydrophobicContact CZ-CE1 3.77Å; L1264-F1280 HydrophobicContact CD2-CB 4Å; L1264-F1280 HydrophobicContact CD2-CD1 4.19Å; L1264-F1280 HydrophobicContact CD2-CD2 4Å; L1264-F1280 HydrophobicContact CD2-CE2 4.48Å; L1264-F1280 HydrophobicContact CD2-CG 3.82Å; L1264-F1280 WeakPolarHBondContact O-CE2 3.37Å; F1268-F1280 HydrophobicContact CD1-CE2 4.14Å; F1268-F1280 HydrophobicContact CD1-CZ 4.01Å; F1268-F1280 AromaticContact CE1-CD2 3.91Å; F1268-F1280 HydrophobicContact CE1-CD2 3.91Å; F1268-F1280 HydrophobicContact CE1-CE1 4.42Å; F1268-F1280 AromaticContact CE1-CE2 3.55Å; F1268-F1280 HydrophobicContact CE1-CE2 3.55Å; F1268-F1280 HydrophobicContact CE1-CG 4.49Å; F1268-F1280 AromaticContact CE1-CZ 3.84Å; F1268-F1280 HydrophobicContact CE1-CZ 3.84Å; M1276-F1280 HydrophobicContact CE-CD1 4.26Å; M1276-F1280 HydrophobicContact CE-CE1 3.43Å; M1276-F1280 VanDerWaalsContact CE-CE1 3.43Å; M1276-F1280 HydrophobicContact CE-CZ 3.92Å; M1276-F1280 WeakPolarHBondContact O-CD1 3.44Å; M1276-F1280 PolarHBondContact O-N 2.7Å; P1277-F1280 PolarHBondContact O-N 2.99Å; F1280-Q1282 PolarHBondContact O-N 3.23Å; F1280-A1283 WeakPolarHBondContact O-CB 3.45Å; F1280-A1283 PolarHBondContact O-N 2.65Å; F1280-A1283 VanDerWaalsContact O-N 3.17Å; F1280-H1284 PolarHBondContact O-CD2 3.24Å; F1280-H1284 PolarHBondContact O-N 2.72Å |
| 1281 | E | 81.9 | Confident | 80.2 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 173.5 | -170.5 | -173.6 | 174.9 | 0 | 0 | 112.1 | P1277 L1279 H1284 N1285 | P1277-E1281 WeakPolarHBondContact O-CB 3.43Å; P1277-E1281 PolarHBondContact O-N 3.5Å; L1279-E1281 VanDerWaalsContact C-N 3.33Å; E1281-H1284 PolarHBondContact O-N 3.21Å; E1281-N1285 WeakPolarHBondContact O-CB 3.26Å; E1281-N1285 PolarHBondContact O-N 2.91Å; E1281-N1285 PolarHBondContact O-ND2 3.47Å; E1281-N1285 VanDerWaalsContact O-ND2 3.16Å |
| 1282 | Q | 84.5 | Confident | 81.1 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -36.5 | 175.3 | -67.1 | -50.2 | -48.6 | 0 | 0 | 113.1 | Y1226 F1229 K1278 L1279 F1280 N1285 F1286 | Y1226-Q1282 HydrophobicContact CD2-CG 3.85Å; Y1226-Q1282 HydrophobicContact CE2-CG 3.64Å; F1229-Q1282 HydrophobicContact CB-CB 4.01Å; K1278-Q1282 WeakPolarHBondContact O-CG 3.45Å; K1278-Q1282 PolarHBondContact O-N 2.77Å; L1279-Q1282 PolarHBondContact O-N 2.95Å; F1280-Q1282 PolarHBondContact O-N 3.23Å; Q1282-N1285 PolarHBondContact O-N 3.25Å; Q1282-F1286 PolarHBondContact O-N 3.33Å |
| 1283 | A | 87.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1229 T1260 F1263 L1264 L1279 F1280 F1286 L1287 | F1229-A1283 HydrophobicContact CD1-CB 4.18Å; F1229-A1283 HydrophobicContact CD2-CB 4.38Å; F1229-A1283 HydrophobicContact CE1-CB 3.86Å; F1229-A1283 HydrophobicContact CE2-CB 4.06Å; F1229-A1283 HydrophobicContact CG-CB 4.45Å; F1229-A1283 HydrophobicContact CZ-CB 3.8Å; T1260-A1283 HydrophobicContact CG2-CB 3.89Å; F1263-A1283 HydrophobicContact CD1-CB 4.15Å; F1263-A1283 HydrophobicContact CE1-CB 4.31Å; L1264-A1283 HydrophobicContact CD2-CB 3.92Å; L1264-A1283 HydrophobicContact CG-CB 4.32Å; L1279-A1283 WeakPolarHBondContact O-CB 3.09Å; L1279-A1283 PolarHBondContact O-N 2.87Å; F1280-A1283 WeakPolarHBondContact O-CB 3.45Å; F1280-A1283 PolarHBondContact O-N 2.65Å; F1280-A1283 VanDerWaalsContact O-N 3.17Å; A1283-F1286 WeakPolarHBondContact O-CB 3.11Å; A1283-F1286 PolarHBondContact O-N 3.28Å; A1283-L1287 WeakPolarHBondContact O-CG 3.09Å; A1283-L1287 PolarHBondContact O-N 3.46Å |
| 1284 | H | 84.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.2 | -78.7 | -68.6 | 0 | 0 | 0 | 112.3 | F1280 E1281 F1286 L1287 C1288 D1324 T1327 | F1280-H1284 PolarHBondContact O-CD2 3.24Å; F1280-H1284 PolarHBondContact O-N 2.72Å; E1281-H1284 PolarHBondContact O-N 3.21Å; H1284-F1286 PolarHBondContact O-N 2.99Å; H1284-L1287 PolarHBondContact O-N 3.43Å; H1284-C1288 PolarHBondContact O-N 3.15Å; H1284-C1288 PolarHBondContact O-SG 3.37Å; H1284-D1324 IonicContact CE1-OD1 3.65Å; H1284-D1324 IonicContact NE2-OD1 3.73Å; H1284-D1324 PolarHBondContact NE2-OD1 2.86Å; H1284-T1327 PolarHBondContact ND1-OG1 3.45Å |
| 1285 | N | 85.7 | Confident | 82.4 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.2 | -74 | -30.9 | 0 | 0 | 0 | 112 | K1233 E1281 Q1282 C1288 E1289 | K1233-N1285 HydrophobicContact CD-CB 4.27Å; E1281-N1285 WeakPolarHBondContact O-CB 3.26Å; E1281-N1285 PolarHBondContact O-N 2.91Å; E1281-N1285 PolarHBondContact O-ND2 3.47Å; E1281-N1285 VanDerWaalsContact O-ND2 3.16Å; Q1282-N1285 PolarHBondContact O-N 3.25Å; N1285-C1288 PolarHBondContact O-N 3.07Å; N1285-E1289 PolarHBondContact O-N 2.9Å |
| 1286 | F | 91.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 171.6 | 157 | -103.1 | 0 | 0 | 0 | 111.7 | W1232 L1251 V1256 T1260 Q1282 A1283 H1284 C1288 E1289 F1290 | W1232-F1286 HydrophobicContact CB-CD2 3.58Å; W1232-F1286 HydrophobicContact CB-CE2 3.71Å; W1232-F1286 HydrophobicContact CB-CG 4.41Å; W1232-F1286 HydrophobicContact CE3-CE1 4.43Å; W1232-F1286 HydrophobicContact CE3-CE2 4.43Å; W1232-F1286 HydrophobicContact CE3-CZ 4.33Å; W1232-F1286 HydrophobicContact CG-CE2 4.46Å; L1251-F1286 HydrophobicContact CD1-CE2 4.04Å; V1256-F1286 HydrophobicContact CB-CZ 4.47Å; V1256-F1286 HydrophobicContact CG1-CE1 4.17Å; V1256-F1286 HydrophobicContact CG1-CZ 3.72Å; T1260-F1286 HydrophobicContact CG2-CD1 4.04Å; T1260-F1286 HydrophobicContact CG2-CE1 4.31Å; T1260-F1286 WeakPolarHBondContact OG1-CE1 3.34Å; Q1282-F1286 PolarHBondContact O-N 3.33Å; A1283-F1286 WeakPolarHBondContact O-CB 3.11Å; A1283-F1286 PolarHBondContact O-N 3.28Å; H1284-F1286 PolarHBondContact O-N 2.99Å; F1286-C1288 VanDerWaalsContact C-N 3.28Å; F1286-C1288 PolarHBondContact O-N 3.25Å; F1286-E1289 PolarHBondContact O-N 3.47Å; F1286-F1290 HydrophobicContact CE2-CB 4.35Å; F1286-F1290 HydrophobicContact CZ-CB 4.35Å; F1286-F1290 HydrophobicContact CZ-CD2 4.42Å; F1286-F1290 WeakPolarHBondContact O-CB 3.24Å; F1286-F1290 PolarHBondContact O-N 3.4Å |
| 1287 | L | 86.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -36.1 | 178.6 | -69.2 | 176.5 | 0 | 0 | 0 | 112.3 | H1257 T1260 L1264 A1283 H1284 F1290 C1291 L1301 T1327 | H1257-L1287 HydrophobicContact CB-CD2 4.48Å; T1260-L1287 HydrophobicContact CG2-CD1 4.32Å; T1260-L1287 HydrophobicContact CG2-CD2 4.26Å; T1260-L1287 HydrophobicContact CG2-CG 4.16Å; L1264-L1287 HydrophobicContact CD1-CD1 3.8Å; A1283-L1287 WeakPolarHBondContact O-CG 3.09Å; A1283-L1287 PolarHBondContact O-N 3.46Å; H1284-L1287 PolarHBondContact O-N 3.43Å; L1287-F1290 PolarHBondContact O-N 3.29Å; L1287-C1291 PolarHBondContact O-N 2.97Å; L1287-L1301 HydrophobicContact CD2-CD1 4.24Å; L1287-L1301 HydrophobicContact CD2-CD2 4.5Å; L1287-T1327 HydrophobicContact CB-CG2 3.8Å; L1287-T1327 HydrophobicContact CD1-CG2 4.12Å |
| 1288 | C | 85.2 | Confident | 83.3 | Confident | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.135 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.2 | -65 | 0 | 0 | 0 | 0 | 111.9 | H1284 N1285 F1286 C1291 S1292 P1326 A1330 | H1284-C1288 PolarHBondContact O-N 3.15Å; H1284-C1288 PolarHBondContact O-SG 3.37Å; N1285-C1288 PolarHBondContact O-N 3.07Å; F1286-C1288 VanDerWaalsContact C-N 3.28Å; F1286-C1288 PolarHBondContact O-N 3.25Å; C1288-C1291 PolarHBondContact O-N 3.07Å; C1288-S1292 PolarHBondContact O-N 3.23Å; C1288-S1292 VanDerWaalsContact O-N 3.08Å; C1288-P1326 VanDerWaalsContact SG-C 3.56Å; C1288-A1330 HydrophobicContact CB-CB 3.94Å |
| 1289 | E | 83.8 | Confident | 83.2 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.6 | -31 | 178.1 | -64.6 | -65.2 | 150.8 | 0 | 0 | 112.5 | K1233 C1236 R1237 Q1248 N1285 F1286 C1291 S1292 | K1233-E1289 HydrophobicContact CD-CG 4.46Å; K1233-E1289 HydrophobicContact CG-CB 4.35Å; K1233-E1289 HydrophobicContact CG-CG 3.76Å; C1236-E1289 HydrophobicContact CB-CB 3.98Å; R1237-E1289 IonicContact CZ-OE1 3.98Å; R1237-E1289 IonicContact CZ-OE2 3.95Å; R1237-E1289 VanDerWaalsContact CZ-OE2 3.31Å; R1237-E1289 IonicContact NE-OE1 3.74Å; R1237-E1289 IonicContact NE-OE2 2.72Å; R1237-E1289 PolarHBondContact NE-OE2 2.9Å; R1237-E1289 VanDerWaalsContact NH2-CD 3.26Å; R1237-E1289 IonicContact NH2-OE1 2.95Å; R1237-E1289 PolarHBondContact NH2-OE1 2.99Å; R1237-E1289 IonicContact NH2-OE2 3.08Å; R1237-E1289 PolarHBondContact NH2-OE2 2.98Å; Q1248-E1289 PolarHBondContact NE2-O 2.99Å; N1285-E1289 PolarHBondContact O-N 2.9Å; F1286-E1289 PolarHBondContact O-N 3.47Å; E1289-C1291 VanDerWaalsContact C-N 3.26Å; E1289-C1291 PolarHBondContact O-N 2.9Å; E1289-S1292 PolarHBondContact O-N 3.44Å; E1289-S1292 PolarHBondContact O-OG 3.43Å |
| 1290 | F | 88.7 | Confident | 83 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -33.2 | 173.6 | 177 | -103.9 | 0 | 0 | 0 | 112.5 | Q1248 L1251 R1252 H1257 F1286 L1287 N1297 L1301 | Q1248-F1290 PolarHBondContact NE2-O 3.03Å; Q1248-F1290 WeakPolarHBondContact O-CE2 3.41Å; L1251-F1290 HydrophobicContact CB-CD2 4.04Å; L1251-F1290 HydrophobicContact CB-CE2 3.84Å; L1251-F1290 HydrophobicContact CD1-CD2 4.47Å; R1252-F1290 HydrophobicContact CB-CE2 4.12Å; R1252-F1290 HydrophobicContact CB-CZ 3.88Å; R1252-F1290 HydrophobicContact CG-CZ 4.46Å; H1257-F1290 HydrophobicContact CB-CE1 4.16Å; H1257-F1290 HydrophobicContact CB-CZ 4.43Å; H1257-F1290 AromaticContact ND1-CZ 3.96Å; F1286-F1290 HydrophobicContact CE2-CB 4.35Å; F1286-F1290 HydrophobicContact CZ-CB 4.35Å; F1286-F1290 HydrophobicContact CZ-CD2 4.42Å; F1286-F1290 WeakPolarHBondContact O-CB 3.24Å; F1286-F1290 PolarHBondContact O-N 3.4Å; L1287-F1290 PolarHBondContact O-N 3.29Å; F1290-N1297 HydrophobicContact CD1-CB 4.13Å; F1290-N1297 HydrophobicContact CE1-CB 3.7Å; F1290-N1297 WeakPolarHBondContact CE2-ND2 3.01Å; F1290-N1297 HydrophobicContact CZ-CB 4.06Å; F1290-N1297 WeakPolarHBondContact CZ-ND2 3.29Å; F1290-N1297 PolarHBondContact O-ND2 3.24Å; F1290-L1301 HydrophobicContact CD1-CD1 4.44Å |
| 1291 | C | 84.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -90.6 | -17.7 | 177 | -76.4 | 0 | 0 | 0 | 0 | 114.5 | L1287 C1288 E1289 G1293 N1294 Q1298 L1301 A1330 | L1287-C1291 PolarHBondContact O-N 2.97Å; C1288-C1291 PolarHBondContact O-N 3.07Å; E1289-C1291 VanDerWaalsContact C-N 3.26Å; E1289-C1291 PolarHBondContact O-N 2.9Å; C1291-G1293 PolarHBondContact O-N 2.96Å; C1291-G1293 VanDerWaalsContact O-N 3.1Å; C1291-N1294 PolarHBondContact O-N 3.29Å; C1291-Q1298 HydrophobicContact CB-CG 3.84Å; C1291-L1301 WeakPolarHBondContact SG-CD1 3.44Å; C1291-A1330 HydrophobicContact CB-CB 4.3Å |
| 1292 | S | 80.5 | Confident | 82.7 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 119 | -172.7 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | V1243 Q1248 C1288 E1289 N1294 | V1243-S1292 WeakPolarHBondContact CG1-O 3.37Å; V1243-S1292 WeakPolarHBondContact CG2-OG 3.13Å; Q1248-S1292 PolarHBondContact NE2-O 3.44Å; C1288-S1292 PolarHBondContact O-N 3.23Å; C1288-S1292 VanDerWaalsContact O-N 3.08Å; E1289-S1292 PolarHBondContact O-N 3.44Å; E1289-S1292 PolarHBondContact O-OG 3.43Å; S1292-N1294 VanDerWaalsContact C-N 3.28Å; S1292-N1294 PolarHBondContact O-N 3.38Å |
| 1293 | G | 71.3 | Confident | 82.3 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 87% | 0.866 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 11.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | C1291 | C1291-G1293 PolarHBondContact O-N 2.96Å; C1291-G1293 VanDerWaalsContact O-N 3.1Å |
| 1294 | N | 80.6 | Confident | 81.5 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | trans | -129.7 | 99.2 | -175.7 | -167.3 | -32.2 | 0 | 0 | 0 | 112.7 | Q1248 C1291 S1292 E1296 N1297 Q1298 | Q1248-N1294 PolarHBondContact OE1-ND2 2.95Å; C1291-N1294 PolarHBondContact O-N 3.29Å; S1292-N1294 VanDerWaalsContact C-N 3.28Å; S1292-N1294 PolarHBondContact O-N 3.38Å; N1294-E1296 VanDerWaalsContact C-N 3.32Å; N1294-E1296 PolarHBondContact O-N 2.92Å; N1294-E1296 PolarHBondContact OD1-N 3.21Å; N1294-N1297 HydrophobicContact CB-CB 4.25Å; N1294-N1297 PolarHBondContact ND2-ND2 2.93Å; N1294-N1297 PolarHBondContact O-N 3.44Å; N1294-N1297 PolarHBondContact OD1-N 2.89Å; N1294-Q1298 WeakPolarHBondContact O-CG 3.42Å; N1294-Q1298 PolarHBondContact O-N 2.67Å | ||
| 1295 | A | 76.8 | Confident | 80.8 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -32.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1298 R1299 | A1295-Q1298 PolarHBondContact O-N 2.78Å; A1295-R1299 PolarHBondContact O-N 2.71Å |
| 1296 | E | 76.8 | Confident | 79.7 | Confident | 120 Ų | 120 | 40.7 Ų | 40.7 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -69 | -42.3 | 179.1 | -64.7 | -176.9 | 162.9 | 0 | 0 | 111.4 | R1252 N1294 Q1298 R1299 L1300 | R1252-E1296 IonicContact CZ-OE2 3.82Å; R1252-E1296 IonicContact NH1-OE2 3.58Å; R1252-E1296 PolarHBondContact NH1-OE2 2.86Å; R1252-E1296 IonicContact NH2-OE2 3.96Å; R1252-E1296 PolarHBondContact NH2-OE2 3.09Å; N1294-E1296 VanDerWaalsContact C-N 3.32Å; N1294-E1296 PolarHBondContact O-N 2.92Å; N1294-E1296 PolarHBondContact OD1-N 3.21Å; E1296-Q1298 VanDerWaalsContact C-N 3.33Å; E1296-Q1298 PolarHBondContact O-N 2.88Å; E1296-R1299 PolarHBondContact O-N 3.22Å; E1296-L1300 WeakPolarHBondContact O-CB 3.34Å; E1296-L1300 PolarHBondContact O-N 3.5Å |
| 1297 | N | 86 | Confident | 78 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 176.9 | -71.1 | 1.1 | 0 | 0 | 0 | 111.6 | R1252 F1290 N1294 L1300 L1301 | R1252-N1297 WeakPolarHBondContact CD-OD1 3.37Å; R1252-N1297 PolarHBondContact NH1-OD1 3.08Å; R1252-N1297 VanDerWaalsContact NH1-OD1 3.11Å; F1290-N1297 HydrophobicContact CD1-CB 4.13Å; F1290-N1297 HydrophobicContact CE1-CB 3.7Å; F1290-N1297 WeakPolarHBondContact CE2-ND2 3.01Å; F1290-N1297 HydrophobicContact CZ-CB 4.06Å; F1290-N1297 WeakPolarHBondContact CZ-ND2 3.29Å; F1290-N1297 PolarHBondContact O-ND2 3.24Å; N1294-N1297 HydrophobicContact CB-CB 4.25Å; N1294-N1297 PolarHBondContact ND2-ND2 2.93Å; N1294-N1297 PolarHBondContact O-N 3.44Å; N1294-N1297 PolarHBondContact OD1-N 2.89Å; N1297-L1300 PolarHBondContact O-N 3.37Å; N1297-L1301 PolarHBondContact O-N 3.32Å; N1297-L1301 VanDerWaalsContact O-N 3.09Å |
| 1298 | Q | 84.9 | Confident | 76.4 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 173.8 | -71.3 | 173.8 | -32 | 0 | 0 | 111.9 | C1291 N1294 A1295 E1296 L1300 L1301 Y1302 A1330 I1331 R1333 N1335 L1338 | C1291-Q1298 HydrophobicContact CB-CG 3.84Å; N1294-Q1298 WeakPolarHBondContact O-CG 3.42Å; N1294-Q1298 PolarHBondContact O-N 2.67Å; A1295-Q1298 PolarHBondContact O-N 2.78Å; E1296-Q1298 VanDerWaalsContact C-N 3.33Å; E1296-Q1298 PolarHBondContact O-N 2.88Å; Q1298-L1300 VanDerWaalsContact C-N 3.3Å; Q1298-L1300 PolarHBondContact O-N 3.17Å; Q1298-L1301 PolarHBondContact O-N 3.46Å; Q1298-Y1302 WeakPolarHBondContact O-CB 3.46Å; Q1298-Y1302 PolarHBondContact O-N 3.42Å; Q1298-A1330 PolarHBondContact NE2-O 2.86Å; Q1298-I1331 VanDerWaalsContact CB-O 3.25Å; Q1298-I1331 WeakPolarHBondContact CB-O 3.47Å; Q1298-I1331 WeakPolarHBondContact CG-O 3.36Å; Q1298-I1331 PolarHBondContact NE2-O 3.26Å; Q1298-R1333 PolarHBondContact NE2-O 3.11Å; Q1298-N1335 VanDerWaalsContact OE1-CB 3.29Å; Q1298-N1335 PolarHBondContact OE1-ND2 2.96Å; Q1298-N1335 VanDerWaalsContact OE1-ND2 3.16Å; Q1298-L1338 HydrophobicContact CB-CD1 3.87Å |
| 1299 | R | 78.8 | Confident | 74.7 | Confident | 147 Ų | 147 | 51.7 Ų | 51.7 | 56% | 0.555 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 176.8 | -174.8 | 176.4 | 178.5 | 172.6 | 0.1 | 111.8 | A1295 E1296 Y1302 Q1303 | A1295-R1299 PolarHBondContact O-N 2.71Å; E1296-R1299 PolarHBondContact O-N 3.22Å; R1299-Y1302 PolarHBondContact O-N 2.83Å; R1299-Q1303 WeakPolarHBondContact O-CG 3.28Å; R1299-Q1303 PolarHBondContact O-N 3.45Å |
| 1300 | L | 80.1 | Confident | 72.7 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 20% | 0.199 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.8 | -178.1 | 148.3 | 0 | 0 | 0 | 112.4 | R1252 H1257 E1296 N1297 Q1298 | R1252-L1300 HydrophobicContact CG-CD1 4.03Å; H1257-L1300 WeakPolarHBondContact CD2-CD2 3.26Å; H1257-L1300 VanDerWaalsContact NE2-CD2 3.28Å; H1257-L1300 WeakPolarHBondContact NE2-CD2 3.37Å; E1296-L1300 WeakPolarHBondContact O-CB 3.34Å; E1296-L1300 PolarHBondContact O-N 3.5Å; N1297-L1300 PolarHBondContact O-N 3.37Å; Q1298-L1300 VanDerWaalsContact C-N 3.3Å; Q1298-L1300 PolarHBondContact O-N 3.17Å |
| 1301 | L | 80.7 | Confident | 70.6 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72 | -35.4 | 176.5 | -73 | -169.8 | 0 | 0 | 0 | 112.2 | H1257 I1261 L1287 F1290 C1291 N1297 Q1298 Q1303 R1304 I1305 I1331 | H1257-L1301 HydrophobicContact CB-CD2 4.2Å; I1261-L1301 HydrophobicContact CD1-CD2 4.08Å; L1287-L1301 HydrophobicContact CD2-CD1 4.24Å; L1287-L1301 HydrophobicContact CD2-CD2 4.5Å; F1290-L1301 HydrophobicContact CD1-CD1 4.44Å; C1291-L1301 WeakPolarHBondContact SG-CD1 3.44Å; N1297-L1301 PolarHBondContact O-N 3.32Å; N1297-L1301 VanDerWaalsContact O-N 3.09Å; Q1298-L1301 PolarHBondContact O-N 3.46Å; L1301-Q1303 VanDerWaalsContact C-N 3.31Å; L1301-Q1303 PolarHBondContact O-N 3.39Å; L1301-R1304 CarbonylContact O-C 3.6Å; L1301-R1304 PolarHBondContact O-N 3Å; L1301-I1305 PolarHBondContact O-N 3.06Å; L1301-I1331 HydrophobicContact CB-CD1 3.78Å; L1301-I1331 HydrophobicContact CB-CG1 3.99Å; L1301-I1331 HydrophobicContact CD1-CD1 4.22Å; L1301-I1331 HydrophobicContact CD1-CG1 4.17Å |
| 1302 | Y | 78.3 | Confident | 68.7 | Low | 56 Ų | 56 | 64.1 Ų | 64.1 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 177.7 | 179.7 | -112.4 | 0 | 0 | 0 | 112.5 | Q1298 R1299 R1304 I1305 F1332 L1338 S1341 | Q1298-Y1302 WeakPolarHBondContact O-CB 3.46Å; Q1298-Y1302 PolarHBondContact O-N 3.42Å; R1299-Y1302 PolarHBondContact O-N 2.83Å; Y1302-R1304 PolarHBondContact O-N 3.2Å; Y1302-I1305 HydrophobicContact CD2-CD1 3.95Å; Y1302-I1305 PolarHBondContact O-N 3.42Å; Y1302-F1332 HydrophobicContact CD2-CE1 4.3Å; Y1302-F1332 HydrophobicContact CD2-CE2 4.3Å; Y1302-F1332 AromaticContact CD2-CZ 3.67Å; Y1302-F1332 HydrophobicContact CD2-CZ 3.67Å; Y1302-F1332 HydrophobicContact CE2-CE1 4.15Å; Y1302-F1332 HydrophobicContact CE2-CE2 4.49Å; Y1302-F1332 AromaticContact CE2-CZ 3.55Å; Y1302-F1332 HydrophobicContact CE2-CZ 3.55Å; Y1302-L1338 HydrophobicContact CD1-CD2 3.63Å; Y1302-L1338 HydrophobicContact CE1-CD2 4.2Å; Y1302-L1338 HydrophobicContact CG-CD2 3.91Å; Y1302-S1341 PolarHBondContact OH-O 3.45Å |
| 1303 | Q | 75.3 | Confident | 67.2 | Low | 133 Ų | 133 | 69.9 Ų | 69.9 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14 | 175.8 | -71.2 | 176.7 | -7.5 | 0 | 0 | 113.9 | R1299 L1301 | R1299-Q1303 WeakPolarHBondContact O-CG 3.28Å; R1299-Q1303 PolarHBondContact O-N 3.45Å; L1301-Q1303 VanDerWaalsContact C-N 3.31Å; L1301-Q1303 PolarHBondContact O-N 3.39Å |
| 1304 | R | 70.6 | Confident | 66.2 | Low | 54 Ų | 54 | 69.3 Ų | 69.3 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 14.1 | -178.7 | -61.5 | -172.4 | -177.6 | -140.7 | 1.7 | 113.6 | E1258 I1261 L1301 Y1302 F1316 L1317 | E1258-R1304 VanDerWaalsContact CG-NH1 3.33Å; E1258-R1304 IonicContact OE1-CZ 3.86Å; E1258-R1304 IonicContact OE1-NH1 3.45Å; E1258-R1304 PolarHBondContact OE1-NH1 3.36Å; E1258-R1304 IonicContact OE1-NH2 3.16Å; E1258-R1304 PolarHBondContact OE1-NH2 3Å; I1261-R1304 HydrophobicContact CD1-CB 4.44Å; L1301-R1304 CarbonylContact O-C 3.6Å; L1301-R1304 PolarHBondContact O-N 3Å; Y1302-R1304 PolarHBondContact O-N 3.2Å; R1304-F1316 HydrophobicContact CB-CD1 4.46Å; R1304-F1316 CarbonylContact O-C 3.15Å; R1304-F1316 WeakPolarHBondContact O-CA 3.29Å; R1304-F1316 WeakPolarHBondContact O-CB 3.19Å; R1304-F1316 WeakPolarHBondContact O-CD1 3.44Å; R1304-L1317 PolarHBondContact O-N 3.11Å |
| 1305 | I | 69.3 | Low | 65 | Low | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.138 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 124.3 | 170.6 | -64.1 | 170.5 | 0 | 0 | 0 | 108.3 | L1301 Y1302 I1319 L1328 I1331 | L1301-I1305 PolarHBondContact O-N 3.06Å; Y1302-I1305 HydrophobicContact CD2-CD1 3.95Å; Y1302-I1305 PolarHBondContact O-N 3.42Å; I1305-I1319 HydrophobicContact CG2-CD1 3.5Å; I1305-L1328 HydrophobicContact CD1-CD2 3.71Å; I1305-I1331 HydrophobicContact CD1-CD1 3.99Å |
| 1306 | S | 63 | Low | 64.3 | Low | 21 Ų | 21 | 73.5 Ų | 73.5 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | trans | -110.4 | 129.7 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | N1308 S1311 L1317 | S1306-N1308 PolarHBondContact OG-N 3.08Å; S1306-S1311 WeakPolarHBondContact CB-OG 3.49Å; S1306-S1311 PolarHBondContact OG-OG 3.1Å; S1306-L1317 PolarHBondContact N-O 3.08Å | ||
| 1307 | L | 55.9 | Low | 63.8 | Low | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.199 | 34% | 0.336 | C | S | . | . | trans | -91.3 | -18.7 | 174.2 | -62.3 | 171.2 | 0 | 0 | 0 | 112 | S1309 Q1345 L1346 H1349 | L1307-S1309 PolarHBondContact O-N 3.36Å; L1307-Q1345 HydrophobicContact CD1-CB 3.55Å; L1307-L1346 HydrophobicContact CD1-CB 4.06Å; L1307-L1346 HydrophobicContact CD2-CB 4.03Å; L1307-L1346 HydrophobicContact CD2-CD1 3.56Å; L1307-L1346 HydrophobicContact CD2-CG 4.39Å; L1307-H1349 HydrophobicContact CD2-CB 4.34Å | ||
| 1308 | N | 52 | Low | 62.9 | Low | 109 Ų | 109 | 72.2 Ų | 72.2 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | trans | -83.8 | 117 | -175.1 | -70.5 | -21.6 | 0 | 0 | 0 | 109.2 | S1306 E1310 S1311 | S1306-N1308 PolarHBondContact OG-N 3.08Å; N1308-E1310 PolarHBondContact O-N 3.34Å; N1308-S1311 PolarHBondContact O-N 3.49Å; N1308-S1311 PolarHBondContact O-OG 3.42Å | ||
| 1309 | S | 51.2 | Low | 62 | Low | 105 Ų | 105 | 72.2 Ų | 72.2 | 73% | 0.734 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -11.4 | 172.1 | -38.1 | 0 | 0 | 0 | 0 | 113.4 | L1307 | L1307-S1309 PolarHBondContact O-N 3.36Š|
| 1310 | E | 41.3 | Very low | 61.5 | Low | 153 Ų | 153 | 70.4 Ų | 70.4 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.7 | -176.6 | -57.5 | -156.5 | 133.7 | 0 | 0 | 115 | K661 N1308 N1312 | K661-E1310 IonicContact NZ-OE1 3.36Å; K661-E1310 PolarHBondContact NZ-OE1 3.18Å; N1308-E1310 PolarHBondContact O-N 3.34Å; E1310-N1312 PolarHBondContact O-N 2.86Å; E1310-N1312 VanDerWaalsContact O-N 3.16Å |
| 1311 | S | 43.6 | Very low | 61 | Low | 30 Ų | 30 | 72 Ų | 72 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | trans | -84.2 | 92.1 | 175.9 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | S1306 N1308 R1313 | S1306-S1311 WeakPolarHBondContact CB-OG 3.49Å; S1306-S1311 PolarHBondContact OG-OG 3.1Å; N1308-S1311 PolarHBondContact O-N 3.49Å; N1308-S1311 PolarHBondContact O-OG 3.42Å; S1311-R1313 PolarHBondContact O-N 3.32Å; S1311-R1313 VanDerWaalsContact O-N 3.13Å | ||
| 1312 | N | 45.9 | Very low | 60.3 | Low | 111 Ų | 111 | 72.6 Ų | 72.6 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | trans | -74.8 | 15.6 | 172.4 | -88.6 | -9.2 | 0 | 0 | 0 | 113.9 | E1310 C1314 K1318 | E1310-N1312 PolarHBondContact O-N 2.86Å; E1310-N1312 VanDerWaalsContact O-N 3.16Å; N1312-C1314 PolarHBondContact O-N 3.05Å; N1312-K1318 PolarHBondContact OD1-NZ 3.15Å | ||
| 1313 | R | 49.7 | Very low | 59.9 | Low | 153 Ų | 153 | 72.7 Ų | 72.7 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | trans | -72.2 | 123.7 | 177.5 | -71.6 | -171.7 | -179.5 | -176.1 | 2.2 | 109.7 | S1311 E1315 F1316 | S1311-R1313 PolarHBondContact O-N 3.32Å; S1311-R1313 VanDerWaalsContact O-N 3.13Å; R1313-E1315 PolarHBondContact O-N 3.33Å; R1313-F1316 HydrophobicContact CB-CD2 3.86Å; R1313-F1316 HydrophobicContact CB-CE2 4.13Å; R1313-F1316 PolarHBondContact O-N 3.17Å | ||
| 1314 | C | 50.5 | Low | 59.7 | Low | 71 Ų | 71 | 67.1 Ų | 67.1 | 48% | 0.48 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 0.4 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | N1312 | N1312-C1314 PolarHBondContact O-N 3.05Š|
| 1315 | E | 54.1 | Low | 59.8 | Low | 113 Ų | 113 | 64.5 Ų | 64.5 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -15 | -177.7 | -62.1 | -178 | 153.9 | 0 | 0 | 113.5 | R1313 | R1313-E1315 PolarHBondContact O-N 3.33Š|
| 1316 | F | 61.6 | Low | 60.1 | Low | 51 Ų | 51 | 65.8 Ų | 65.8 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -109.8 | 141.5 | -174.1 | -64.3 | -89.5 | 0 | 0 | 0 | 112.3 | R1304 R1313 K1318 | R1304-F1316 HydrophobicContact CB-CD1 4.46Å; R1304-F1316 CarbonylContact O-C 3.15Å; R1304-F1316 WeakPolarHBondContact O-CA 3.29Å; R1304-F1316 WeakPolarHBondContact O-CB 3.19Å; R1304-F1316 WeakPolarHBondContact O-CD1 3.44Å; R1313-F1316 HydrophobicContact CB-CD2 3.86Å; R1313-F1316 HydrophobicContact CB-CE2 4.13Å; R1313-F1316 PolarHBondContact O-N 3.17Å; F1316-K1318 PolarHBondContact O-N 3.31Å |
| 1317 | L | 66.9 | Low | 60.8 | Low | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 120.4 | 173.8 | -171.6 | 72.6 | 0 | 0 | 0 | 109.5 | L1264 R1304 S1306 T1327 | L1264-L1317 HydrophobicContact CD1-CD1 3.8Å; R1304-L1317 PolarHBondContact O-N 3.11Å; S1306-L1317 PolarHBondContact N-O 3.08Å; L1317-T1327 HydrophobicContact CD2-CG2 4.1Å |
| 1318 | K | 66.9 | Low | 61.9 | Low | 82 Ų | 82 | 63 Ų | 63 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | trans | -88.6 | 132.8 | 172.2 | -66.3 | -177.4 | 177.3 | -177.8 | 0 | 109.5 | N1312 F1316 | N1312-K1318 PolarHBondContact OD1-NZ 3.15Å; F1316-K1318 PolarHBondContact O-N 3.31Å | ||
| 1319 | I | 67 | Low | 63.3 | Low | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | trans | -110.6 | 100.4 | 177.9 | -59 | 139.7 | 0 | 0 | 0 | 107.3 | I1305 L1328 L1346 H1349 L1353 | I1305-I1319 HydrophobicContact CG2-CD1 3.5Å; I1319-L1328 HydrophobicContact CB-CD1 4.41Å; I1319-L1328 HydrophobicContact CD1-CD1 3.76Å; I1319-L1328 HydrophobicContact CD1-CD2 3.74Å; I1319-L1328 HydrophobicContact CD1-CG 4Å; I1319-L1328 HydrophobicContact CG1-CD1 3.86Å; I1319-L1328 HydrophobicContact CG1-CD2 4.33Å; I1319-L1328 HydrophobicContact CG1-CG 4.09Å; I1319-L1328 HydrophobicContact CG2-CD1 3.7Å; I1319-L1346 HydrophobicContact CD1-CD1 4.27Å; I1319-H1349 PolarHBondContact O-NE2 3.09Å; I1319-L1353 HydrophobicContact CG2-CD1 4.16Å | ||
| 1320 | E | 68.4 | Low | 64.5 | Low | 109 Ų | 109 | 54.5 Ų | 54.5 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | trans | -124.2 | -27 | -177.4 | -67.2 | -174.7 | -179 | 0 | 0 | 112.3 | D1324 Q1357 | E1320-D1324 PolarHBondContact N-OD2 3.31Å; E1320-Q1357 PolarHBondContact O-NE2 3.27Å | ||
| 1321 | E | 68.7 | Low | 66.3 | Low | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -125.1 | 159.1 | -172.5 | -57.9 | -162.7 | 129.6 | 0 | 0 | 113.4 | K1270 S1323 D1324 | K1270-E1321 IonicContact NZ-OE1 2.66Å; K1270-E1321 PolarHBondContact NZ-OE1 3.26Å; K1270-E1321 IonicContact NZ-OE2 3.9Å; K1270-E1321 PolarHBondContact NZ-OE2 3.42Å; E1321-S1323 PolarHBondContact O-N 3.25Å; E1321-S1323 VanDerWaalsContact O-N 3.12Å; E1321-D1324 PolarHBondContact N-OD2 3.21Å; E1321-D1324 WeakPolarHBondContact O-CB 3.49Å; E1321-D1324 PolarHBondContact O-N 3.45Å |
| 1322 | A | 66.1 | Low | 68 | Low | 18 Ų | 18 | 45.8 Ų | 45.8 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1324 I1362 F1363 | A1322-D1324 VanDerWaalsContact C-N 3.28Å; A1322-D1324 PolarHBondContact O-N 2.85Å; A1322-I1362 HydrophobicContact CB-CD1 4.43Å; A1322-F1363 HydrophobicContact CB-CE2 4.38Å; A1322-F1363 HydrophobicContact CB-CZ 3.97Å |
| 1323 | S | 69.5 | Low | 69.7 | Low | 59 Ų | 59 | 49.5 Ų | 49.5 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.3 | 174.6 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | E1321 P1326 | E1321-S1323 PolarHBondContact O-N 3.25Å; E1321-S1323 VanDerWaalsContact O-N 3.12Å; S1323-P1326 VanDerWaalsContact O-CD 3.3Å; S1323-P1326 WeakPolarHBondContact O-CD 3.42Å |
| 1324 | D | 72.4 | Confident | 70.6 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -25.1 | -174.4 | -45.8 | -22.9 | 0 | 0 | 0 | 110.9 | H1284 E1320 E1321 A1322 P1326 T1327 L1328 | H1284-D1324 IonicContact CE1-OD1 3.65Å; H1284-D1324 IonicContact NE2-OD1 3.73Å; H1284-D1324 PolarHBondContact NE2-OD1 2.86Å; E1320-D1324 PolarHBondContact N-OD2 3.31Å; E1321-D1324 PolarHBondContact N-OD2 3.21Å; E1321-D1324 WeakPolarHBondContact O-CB 3.49Å; E1321-D1324 PolarHBondContact O-N 3.45Å; A1322-D1324 VanDerWaalsContact C-N 3.28Å; A1322-D1324 PolarHBondContact O-N 2.85Å; D1324-P1326 VanDerWaalsContact C-CD 3.44Å; D1324-T1327 WeakPolarHBondContact O-CB 3.3Å; D1324-T1327 PolarHBondContact O-N 3.46Å; D1324-T1327 VanDerWaalsContact O-N 3.11Å; D1324-L1328 PolarHBondContact O-N 2.78Å |
| 1325 | V | 72.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -35.1 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 114 | T1327 L1328 C1329 I1362 F1363 F1366 | V1325-T1327 VanDerWaalsContact C-N 3.28Å; V1325-T1327 PolarHBondContact O-N 2.93Å; V1325-L1328 WeakPolarHBondContact O-CB 3.48Å; V1325-L1328 PolarHBondContact O-N 3.22Å; V1325-L1328 VanDerWaalsContact O-N 3.16Å; V1325-C1329 PolarHBondContact O-N 3.31Å; V1325-C1329 PolarHBondContact O-SG 3.49Å; V1325-I1362 HydrophobicContact CB-CG2 3.75Å; V1325-I1362 HydrophobicContact CG1-CG2 3.8Å; V1325-I1362 HydrophobicContact CG2-CG2 4.43Å; V1325-F1363 HydrophobicContact CG2-CD1 3.67Å; V1325-F1363 HydrophobicContact CG2-CE1 3.61Å; V1325-F1366 HydrophobicContact CG1-CB 3.65Å; V1325-F1366 HydrophobicContact CG1-CG 4.43Å |
| 1326 | P | 75.1 | Confident | 72.7 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.8 | -38.5 | 172 | -26.9 | 36 | 0 | 0 | 0 | 113.6 | C1288 S1323 D1324 C1329 A1330 | C1288-P1326 VanDerWaalsContact SG-C 3.56Å; S1323-P1326 VanDerWaalsContact O-CD 3.3Å; S1323-P1326 WeakPolarHBondContact O-CD 3.42Å; D1324-P1326 VanDerWaalsContact C-CD 3.44Å; P1326-C1329 WeakPolarHBondContact O-CB 3.42Å; P1326-C1329 PolarHBondContact O-N 2.93Å; P1326-A1330 PolarHBondContact O-N 3.37Å |
| 1327 | T | 78.3 | Confident | 73.2 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | H1284 L1287 L1317 D1324 V1325 C1329 A1330 I1331 | H1284-T1327 PolarHBondContact ND1-OG1 3.45Å; L1287-T1327 HydrophobicContact CB-CG2 3.8Å; L1287-T1327 HydrophobicContact CD1-CG2 4.12Å; L1317-T1327 HydrophobicContact CD2-CG2 4.1Å; D1324-T1327 WeakPolarHBondContact O-CB 3.3Å; D1324-T1327 PolarHBondContact O-N 3.46Å; D1324-T1327 VanDerWaalsContact O-N 3.11Å; V1325-T1327 VanDerWaalsContact C-N 3.28Å; V1325-T1327 PolarHBondContact O-N 2.93Å; T1327-C1329 PolarHBondContact O-N 3.44Å; T1327-A1330 PolarHBondContact O-N 3.38Å; T1327-I1331 HydrophobicContact CG2-CD1 4.29Å; T1327-I1331 VanDerWaalsContact O-CG1 3.31Å; T1327-I1331 WeakPolarHBondContact O-CG1 3.41Å; T1327-I1331 PolarHBondContact O-N 3.31Å |
| 1328 | L | 79 | Confident | 73.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 171.6 | -81.6 | 178.8 | 0 | 0 | 0 | 112.3 | I1305 I1319 D1324 V1325 A1330 I1331 F1332 I1350 F1366 | I1305-L1328 HydrophobicContact CD1-CD2 3.71Å; I1319-L1328 HydrophobicContact CB-CD1 4.41Å; I1319-L1328 HydrophobicContact CD1-CD1 3.76Å; I1319-L1328 HydrophobicContact CD1-CD2 3.74Å; I1319-L1328 HydrophobicContact CD1-CG 4Å; I1319-L1328 HydrophobicContact CG1-CD1 3.86Å; I1319-L1328 HydrophobicContact CG1-CD2 4.33Å; I1319-L1328 HydrophobicContact CG1-CG 4.09Å; I1319-L1328 HydrophobicContact CG2-CD1 3.7Å; D1324-L1328 PolarHBondContact O-N 2.78Å; V1325-L1328 WeakPolarHBondContact O-CB 3.48Å; V1325-L1328 PolarHBondContact O-N 3.22Å; V1325-L1328 VanDerWaalsContact O-N 3.16Å; L1328-A1330 VanDerWaalsContact C-N 3.3Å; L1328-A1330 PolarHBondContact O-N 2.93Å; L1328-I1331 PolarHBondContact O-N 3.32Å; L1328-F1332 HydrophobicContact CD2-CE2 4.43Å; L1328-F1332 WeakPolarHBondContact O-CD2 3.41Å; L1328-F1332 PolarHBondContact O-N 3.5Å; L1328-I1350 HydrophobicContact CD1-CD1 4.23Å; L1328-F1366 HydrophobicContact CB-CD2 3.64Å; L1328-F1366 HydrophobicContact CB-CE2 3.61Å; L1328-F1366 HydrophobicContact CD1-CE2 4.39Å; L1328-F1366 HydrophobicContact CD2-CE2 4.43Å; L1328-F1366 HydrophobicContact CG-CE2 4.4Å |
| 1329 | C | 79.8 | Confident | 73.7 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 14% | 0.142 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | 176 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | V1325 P1326 T1327 I1331 F1332 R1333 F1366 T1369 | V1325-C1329 PolarHBondContact O-N 3.31Å; V1325-C1329 PolarHBondContact O-SG 3.49Å; P1326-C1329 WeakPolarHBondContact O-CB 3.42Å; P1326-C1329 PolarHBondContact O-N 2.93Å; T1327-C1329 PolarHBondContact O-N 3.44Å; C1329-I1331 VanDerWaalsContact C-N 3.3Å; C1329-I1331 PolarHBondContact O-N 3.05Å; C1329-F1332 PolarHBondContact O-N 3.28Å; C1329-R1333 WeakPolarHBondContact O-CB 3.22Å; C1329-R1333 PolarHBondContact O-N 2.98Å; C1329-F1366 VanDerWaalsContact SG-CA 3.53Å; C1329-T1369 WeakPolarHBondContact O-CG2 3.28Å |
| 1330 | A | 77.1 | Confident | 73.8 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -32.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1288 C1291 Q1298 P1326 T1327 L1328 | C1288-A1330 HydrophobicContact CB-CB 3.94Å; C1291-A1330 HydrophobicContact CB-CB 4.3Å; Q1298-A1330 PolarHBondContact NE2-O 2.86Å; P1326-A1330 PolarHBondContact O-N 3.37Å; T1327-A1330 PolarHBondContact O-N 3.38Å; L1328-A1330 VanDerWaalsContact C-N 3.3Å; L1328-A1330 PolarHBondContact O-N 2.93Å |
| 1331 | I | 79.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.7 | -69.5 | 167.2 | 0 | 0 | 0 | 111.3 | Q1298 L1301 I1305 T1327 L1328 C1329 L1338 | Q1298-I1331 VanDerWaalsContact CB-O 3.25Å; Q1298-I1331 WeakPolarHBondContact CB-O 3.47Å; Q1298-I1331 WeakPolarHBondContact CG-O 3.36Å; Q1298-I1331 PolarHBondContact NE2-O 3.26Å; L1301-I1331 HydrophobicContact CB-CD1 3.78Å; L1301-I1331 HydrophobicContact CB-CG1 3.99Å; L1301-I1331 HydrophobicContact CD1-CD1 4.22Å; L1301-I1331 HydrophobicContact CD1-CG1 4.17Å; I1305-I1331 HydrophobicContact CD1-CD1 3.99Å; T1327-I1331 HydrophobicContact CG2-CD1 4.29Å; T1327-I1331 VanDerWaalsContact O-CG1 3.31Å; T1327-I1331 WeakPolarHBondContact O-CG1 3.41Å; T1327-I1331 PolarHBondContact O-N 3.31Å; L1328-I1331 PolarHBondContact O-N 3.32Å; C1329-I1331 VanDerWaalsContact C-N 3.3Å; C1329-I1331 PolarHBondContact O-N 3.05Å; I1331-L1338 HydrophobicContact CG2-CD1 4.32Å |
| 1332 | F | 79.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -89.3 | -20.6 | -176.3 | -72.8 | -87 | 0 | 0 | 0 | 114 | Y1302 L1328 C1329 G1334 N1335 L1338 C1339 V1342 L1346 F1366 T1369 L1370 | Y1302-F1332 HydrophobicContact CD2-CE1 4.3Å; Y1302-F1332 HydrophobicContact CD2-CE2 4.3Å; Y1302-F1332 AromaticContact CD2-CZ 3.67Å; Y1302-F1332 HydrophobicContact CD2-CZ 3.67Å; Y1302-F1332 HydrophobicContact CE2-CE1 4.15Å; Y1302-F1332 HydrophobicContact CE2-CE2 4.49Å; Y1302-F1332 AromaticContact CE2-CZ 3.55Å; Y1302-F1332 HydrophobicContact CE2-CZ 3.55Å; L1328-F1332 HydrophobicContact CD2-CE2 4.43Å; L1328-F1332 WeakPolarHBondContact O-CD2 3.41Å; L1328-F1332 PolarHBondContact O-N 3.5Å; C1329-F1332 PolarHBondContact O-N 3.28Å; F1332-G1334 PolarHBondContact O-N 2.91Å; F1332-G1334 VanDerWaalsContact O-N 3.15Å; F1332-N1335 PolarHBondContact O-N 3.19Å; F1332-L1338 HydrophobicContact CD1-CB 3.86Å; F1332-L1338 HydrophobicContact CE1-CB 3.97Å; F1332-L1338 WeakPolarHBondContact CE1-O 3.5Å; F1332-C1339 PolarHBondContact O-SG 3.31Å; F1332-C1339 VanDerWaalsContact O-SG 3.42Å; F1332-V1342 HydrophobicContact CD1-CG2 4.08Å; F1332-V1342 HydrophobicContact CE1-CG2 3.54Å; F1332-V1342 HydrophobicContact CZ-CG2 4.23Å; F1332-L1346 HydrophobicContact CE2-CD2 4.07Å; F1332-L1346 HydrophobicContact CZ-CD2 3.99Å; F1332-F1366 AromaticContact CD2-CE2 3.58Å; F1332-F1366 HydrophobicContact CD2-CE2 3.58Å; F1332-F1366 AromaticContact CD2-CZ 3.95Å; F1332-F1366 HydrophobicContact CD2-CZ 3.95Å; F1332-F1366 AromaticContact CE2-CE2 3.96Å; F1332-F1366 HydrophobicContact CE2-CE2 3.96Å; F1332-F1366 AromaticContact CE2-CZ 3.94Å; F1332-F1366 HydrophobicContact CE2-CZ 3.94Å; F1332-F1366 HydrophobicContact CG-CE2 4.36Å; F1332-T1369 HydrophobicContact CB-CG2 4.35Å; F1332-L1370 HydrophobicContact CB-CD2 3.89Å; F1332-L1370 HydrophobicContact CD1-CD2 3.59Å; F1332-L1370 HydrophobicContact CD2-CD2 4.17Å; F1332-L1370 HydrophobicContact CE1-CD2 4.12Å; F1332-L1370 HydrophobicContact CG-CD2 3.6Å |
| 1333 | R | 80.5 | Confident | 74.5 | Confident | 189 Ų | 189 | 42.5 Ų | 42.5 | 71% | 0.713 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 119.5 | -173.9 | -172.2 | 171.8 | -170.2 | 170.8 | 3.2 | 112.2 | Q1298 C1329 N1335 T1369 | Q1298-R1333 PolarHBondContact NE2-O 3.11Å; C1329-R1333 WeakPolarHBondContact O-CB 3.22Å; C1329-R1333 PolarHBondContact O-N 2.98Å; R1333-N1335 PolarHBondContact O-N 2.99Å; R1333-T1369 HydrophobicContact CB-CG2 3.82Å; R1333-T1369 HydrophobicContact CG-CG2 4.39Å |
| 1334 | G | 69.6 | Low | 74.7 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 87% | 0.866 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 3.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1332 | F1332-G1334 PolarHBondContact O-N 2.91Å; F1332-G1334 VanDerWaalsContact O-N 3.15Å |
| 1335 | N | 76.3 | Confident | 74.8 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | trans | -108.5 | 97.9 | -179.2 | -164.6 | -33.3 | 0 | 0 | 0 | 111.6 | Q1298 F1332 R1333 E1337 L1338 C1339 | Q1298-N1335 VanDerWaalsContact OE1-CB 3.29Å; Q1298-N1335 PolarHBondContact OE1-ND2 2.96Å; Q1298-N1335 VanDerWaalsContact OE1-ND2 3.16Å; F1332-N1335 PolarHBondContact O-N 3.19Å; R1333-N1335 PolarHBondContact O-N 2.99Å; N1335-E1337 PolarHBondContact OD1-N 2.87Å; N1335-L1338 HydrophobicContact CB-CB 4.29Å; N1335-L1338 HydrophobicContact CB-CD1 4.24Å; N1335-L1338 HydrophobicContact CB-CG 4.39Å; N1335-L1338 WeakPolarHBondContact ND2-CD1 3.39Å; N1335-L1338 PolarHBondContact OD1-N 3.43Å; N1335-C1339 PolarHBondContact O-N 3.33Å; N1335-C1339 VanDerWaalsContact O-N 3.12Å; N1335-C1339 PolarHBondContact O-SG 3.27Å | ||
| 1336 | R | 72.6 | Confident | 75.1 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | -175.2 | -155.1 | -164.3 | -62.2 | 162.9 | 8.9 | 112.6 | L1338 C1339 A1340 I1377 | R1336-L1338 PolarHBondContact O-N 3.47Å; R1336-C1339 PolarHBondContact O-N 3.49Å; R1336-A1340 WeakPolarHBondContact O-CB 3.25Å; R1336-A1340 PolarHBondContact O-N 3.12Å; R1336-I1377 HydrophobicContact CG-CD1 3.65Å; R1336-I1377 HydrophobicContact CG-CG1 4.07Å |
| 1337 | E | 71.3 | Confident | 75 | Confident | 144 Ų | 144 | 46.5 Ų | 46.5 | 67% | 0.673 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | -179.9 | -66.4 | -178.3 | -177.3 | 0 | 0 | 111.4 | N1335 A1340 S1341 | N1335-E1337 PolarHBondContact OD1-N 2.87Å; E1337-A1340 PolarHBondContact O-N 3.49Å; E1337-S1341 PolarHBondContact O-N 3.37Å; E1337-S1341 PolarHBondContact O-OG 2.92Å |
| 1338 | L | 71.6 | Confident | 74.7 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 175.5 | -65.8 | -179 | 0 | 0 | 0 | 111.6 | Q1298 Y1302 I1331 F1332 N1335 R1336 A1340 S1341 V1342 | Q1298-L1338 HydrophobicContact CB-CD1 3.87Å; Y1302-L1338 HydrophobicContact CD1-CD2 3.63Å; Y1302-L1338 HydrophobicContact CE1-CD2 4.2Å; Y1302-L1338 HydrophobicContact CG-CD2 3.91Å; I1331-L1338 HydrophobicContact CG2-CD1 4.32Å; F1332-L1338 HydrophobicContact CD1-CB 3.86Å; F1332-L1338 HydrophobicContact CE1-CB 3.97Å; F1332-L1338 WeakPolarHBondContact CE1-O 3.5Å; N1335-L1338 HydrophobicContact CB-CB 4.29Å; N1335-L1338 HydrophobicContact CB-CD1 4.24Å; N1335-L1338 HydrophobicContact CB-CG 4.39Å; N1335-L1338 WeakPolarHBondContact ND2-CD1 3.39Å; N1335-L1338 PolarHBondContact OD1-N 3.43Å; R1336-L1338 PolarHBondContact O-N 3.47Å; L1338-A1340 VanDerWaalsContact C-N 3.29Å; L1338-A1340 PolarHBondContact O-N 3.3Å; L1338-S1341 PolarHBondContact O-N 3.31Å; L1338-S1341 PolarHBondContact O-OG 2.95Å; L1338-V1342 WeakPolarHBondContact O-CG2 3.49Å; L1338-V1342 PolarHBondContact O-N 3.49Å |
| 1339 | C | 72.5 | Confident | 74.5 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -29.9 | 178 | -65.3 | 0 | 0 | 0 | 0 | 113.4 | F1332 N1335 R1336 V1342 I1377 T1380 | F1332-C1339 PolarHBondContact O-SG 3.31Å; F1332-C1339 VanDerWaalsContact O-SG 3.42Å; N1335-C1339 PolarHBondContact O-N 3.33Å; N1335-C1339 VanDerWaalsContact O-N 3.12Å; N1335-C1339 PolarHBondContact O-SG 3.27Å; R1336-C1339 PolarHBondContact O-N 3.49Å; C1339-V1342 WeakPolarHBondContact O-CG2 3.46Å; C1339-I1377 HydrophobicContact CB-CD1 3.62Å; C1339-T1380 WeakPolarHBondContact O-CG2 3.36Å; C1339-T1380 PolarHBondContact O-OG1 3.37Å; C1339-T1380 VanDerWaalsContact O-OG1 3.05Å |
| 1340 | A | 68.5 | Low | 74.3 | Confident | 50 Ų | 50 | 54 Ų | 54 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.4 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1336 E1337 L1338 I1377 | R1336-A1340 WeakPolarHBondContact O-CB 3.25Å; R1336-A1340 PolarHBondContact O-N 3.12Å; E1337-A1340 PolarHBondContact O-N 3.49Å; L1338-A1340 VanDerWaalsContact C-N 3.29Å; L1338-A1340 PolarHBondContact O-N 3.3Å; A1340-I1377 HydrophobicContact CB-CD1 4.21Å; A1340-I1377 HydrophobicContact CB-CG2 4.35Å |
| 1341 | S | 69.6 | Low | 74.2 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -98.4 | 16.2 | -175.3 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | Y1302 E1337 L1338 S1343 | Y1302-S1341 PolarHBondContact OH-O 3.45Å; E1337-S1341 PolarHBondContact O-N 3.37Å; E1337-S1341 PolarHBondContact O-OG 2.92Å; L1338-S1341 PolarHBondContact O-N 3.31Å; L1338-S1341 PolarHBondContact O-OG 2.95Å; S1341-S1343 PolarHBondContact O-N 3.27Å |
| 1342 | V | 76 | Confident | 73.8 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | trans | -61.4 | 130.9 | 177.9 | -180 | 0 | 0 | 0 | 0 | 110.9 | F1332 L1338 C1339 L1346 I1347 L1370 K1383 | F1332-V1342 HydrophobicContact CD1-CG2 4.08Å; F1332-V1342 HydrophobicContact CE1-CG2 3.54Å; F1332-V1342 HydrophobicContact CZ-CG2 4.23Å; L1338-V1342 WeakPolarHBondContact O-CG2 3.49Å; L1338-V1342 PolarHBondContact O-N 3.49Å; C1339-V1342 WeakPolarHBondContact O-CG2 3.46Å; V1342-L1346 HydrophobicContact CG1-CD2 4.36Å; V1342-I1347 HydrophobicContact CG1-CD1 4.06Å; V1342-I1347 HydrophobicContact CG1-CG1 3.94Å; V1342-L1370 HydrophobicContact CG1-CD1 4.27Å; V1342-L1370 HydrophobicContact CG2-CD1 4.38Å; V1342-L1370 HydrophobicContact CG2-CD2 3.77Å; V1342-K1383 PolarHBondContact O-NZ 3.37Å; V1342-K1383 VanDerWaalsContact O-NZ 3.11Å | ||
| 1343 | S | 73.3 | Confident | 73.4 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | trans | -75.5 | 140.8 | 175 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | S1341 Q1345 L1346 | S1341-S1343 PolarHBondContact O-N 3.27Å; S1343-Q1345 PolarHBondContact O-N 3Å; S1343-L1346 PolarHBondContact O-N 3Å; S1343-L1346 VanDerWaalsContact O-N 3.12Å; S1343-L1346 PolarHBondContact OG-N 3.17Å | ||
| 1344 | D | 74.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | 178.9 | -58 | -7.1 | 0 | 0 | 0 | 111.3 | L1346 I1347 Q1348 K1383 | D1344-L1346 PolarHBondContact O-N 3.16Å; D1344-I1347 PolarHBondContact O-N 3.42Å; D1344-Q1348 WeakPolarHBondContact O-CB 3.46Å; D1344-Q1348 WeakPolarHBondContact O-CG 3.38Å; D1344-Q1348 PolarHBondContact O-N 3.43Å; D1344-K1383 VanDerWaalsContact OD1-CD 3.24Å; D1344-K1383 WeakPolarHBondContact OD1-CD 3.47Å; D1344-K1383 WeakPolarHBondContact OD1-CE 3.49Å; D1344-K1383 IonicContact OD1-NZ 3.64Å; D1344-K1383 PolarHBondContact OD1-NZ 3.48Å |
| 1345 | Q | 74.8 | Confident | 73 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 176.1 | -66.2 | -178.1 | -5.4 | 0 | 0 | 112.6 | L1307 S1343 H1349 | L1307-Q1345 HydrophobicContact CD1-CB 3.55Å; S1343-Q1345 PolarHBondContact O-N 3Å; Q1345-H1349 VanDerWaalsContact O-CB 3.27Å; Q1345-H1349 WeakPolarHBondContact O-CB 3.46Å; Q1345-H1349 PolarHBondContact O-N 2.99Å |
| 1346 | L | 77.2 | Confident | 72.6 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 177.5 | 177.2 | 64.4 | 0 | 0 | 0 | 110.7 | L1307 I1319 F1332 V1342 S1343 D1344 H1349 I1350 F1366 | L1307-L1346 HydrophobicContact CD1-CB 4.06Å; L1307-L1346 HydrophobicContact CD2-CB 4.03Å; L1307-L1346 HydrophobicContact CD2-CD1 3.56Å; L1307-L1346 HydrophobicContact CD2-CG 4.39Å; I1319-L1346 HydrophobicContact CD1-CD1 4.27Å; F1332-L1346 HydrophobicContact CE2-CD2 4.07Å; F1332-L1346 HydrophobicContact CZ-CD2 3.99Å; V1342-L1346 HydrophobicContact CG1-CD2 4.36Å; S1343-L1346 PolarHBondContact O-N 3Å; S1343-L1346 VanDerWaalsContact O-N 3.12Å; S1343-L1346 PolarHBondContact OG-N 3.17Å; D1344-L1346 PolarHBondContact O-N 3.16Å; L1346-H1349 PolarHBondContact O-N 3.18Å; L1346-I1350 HydrophobicContact CD1-CD1 4.12Å; L1346-I1350 HydrophobicContact CD1-CG1 4.47Å; L1346-I1350 HydrophobicContact CG-CD1 4.29Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.48Å; L1346-I1350 PolarHBondContact O-N 3.38Å; L1346-F1366 HydrophobicContact CD2-CZ 4Å |
| 1347 | I | 74.8 | Confident | 72.2 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 177 | -59.7 | 174.5 | 0 | 0 | 0 | 109.7 | V1342 D1344 H1349 I1350 V1351 L1367 K1383 I1384 A1387 | V1342-I1347 HydrophobicContact CG1-CD1 4.06Å; V1342-I1347 HydrophobicContact CG1-CG1 3.94Å; D1344-I1347 PolarHBondContact O-N 3.42Å; I1347-H1349 PolarHBondContact O-N 3.03Å; I1347-I1350 PolarHBondContact O-N 2.99Å; I1347-V1351 WeakPolarHBondContact O-CG2 3.4Å; I1347-V1351 PolarHBondContact O-N 3.11Å; I1347-L1367 HydrophobicContact CG2-CD2 4.48Å; I1347-K1383 HydrophobicContact CD1-CB 3.89Å; I1347-K1383 HydrophobicContact CD1-CD 4.35Å; I1347-I1384 HydrophobicContact CD1-CG1 4.32Å; I1347-A1387 HydrophobicContact CG2-CB 3.93Å |
| 1348 | Q | 72.4 | Confident | 71.9 | Confident | 132 Ų | 132 | 51.5 Ų | 51.5 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 176.8 | -73.4 | 176.6 | 0.2 | 0 | 0 | 112.7 | D1344 I1350 V1351 H1352 | D1344-Q1348 WeakPolarHBondContact O-CB 3.46Å; D1344-Q1348 WeakPolarHBondContact O-CG 3.38Å; D1344-Q1348 PolarHBondContact O-N 3.43Å; Q1348-I1350 VanDerWaalsContact C-N 3.35Å; Q1348-I1350 PolarHBondContact O-N 3.35Å; Q1348-V1351 PolarHBondContact O-N 3.37Å; Q1348-H1352 WeakPolarHBondContact O-CB 3.37Å; Q1348-H1352 PolarHBondContact O-N 3.34Å |
| 1349 | H | 73.7 | Confident | 71.8 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 21% | 0.213 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.2 | -176.6 | 63.2 | 0 | 0 | 0 | 111.6 | L1307 I1319 Q1345 L1346 I1347 H1352 L1353 | L1307-H1349 HydrophobicContact CD2-CB 4.34Å; I1319-H1349 PolarHBondContact O-NE2 3.09Å; Q1345-H1349 VanDerWaalsContact O-CB 3.27Å; Q1345-H1349 WeakPolarHBondContact O-CB 3.46Å; Q1345-H1349 PolarHBondContact O-N 2.99Å; L1346-H1349 PolarHBondContact O-N 3.18Å; I1347-H1349 PolarHBondContact O-N 3.03Å; H1349-H1352 WeakPolarHBondContact O-CB 3.35Å; H1349-H1352 PolarHBondContact O-N 3.43Å; H1349-L1353 WeakPolarHBondContact O-CG 3.31Å; H1349-L1353 PolarHBondContact O-N 3.04Å |
| 1350 | I | 75.6 | Confident | 71.7 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 177.6 | -69.1 | 175.5 | 0 | 0 | 0 | 111.5 | L1328 L1346 I1347 Q1348 H1352 L1353 I1354 F1363 F1366 | L1328-I1350 HydrophobicContact CD1-CD1 4.23Å; L1346-I1350 HydrophobicContact CD1-CD1 4.12Å; L1346-I1350 HydrophobicContact CD1-CG1 4.47Å; L1346-I1350 HydrophobicContact CG-CD1 4.29Å; L1346-I1350 WeakPolarHBondContact O-CG1 3.48Å; L1346-I1350 PolarHBondContact O-N 3.38Å; I1347-I1350 PolarHBondContact O-N 2.99Å; Q1348-I1350 VanDerWaalsContact C-N 3.35Å; Q1348-I1350 PolarHBondContact O-N 3.35Å; I1350-H1352 VanDerWaalsContact C-N 3.28Å; I1350-H1352 PolarHBondContact O-N 3.23Å; I1350-L1353 PolarHBondContact O-N 3.27Å; I1350-I1354 HydrophobicContact CG2-CD1 4.39Å; I1350-I1354 WeakPolarHBondContact O-CG1 3.41Å; I1350-I1354 PolarHBondContact O-N 3.47Å; I1350-F1363 HydrophobicContact CG2-CB 4.17Å; I1350-F1363 HydrophobicContact CG2-CD1 4.32Å; I1350-F1366 HydrophobicContact CD1-CD1 3.14Å; I1350-F1366 HydrophobicContact CD1-CE1 3.09Å; I1350-F1366 HydrophobicContact CD1-CG 4.03Å; I1350-F1366 HydrophobicContact CD1-CZ 3.96Å |
| 1351 | V | 74.4 | Confident | 71.7 | Confident | 27 Ų | 27 | 58 Ų | 58 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | I1347 Q1348 L1353 I1354 E1355 A1387 F1388 | I1347-V1351 WeakPolarHBondContact O-CG2 3.4Å; I1347-V1351 PolarHBondContact O-N 3.11Å; Q1348-V1351 PolarHBondContact O-N 3.37Å; V1351-L1353 PolarHBondContact O-N 3.05Å; V1351-I1354 WeakPolarHBondContact O-CB 3.45Å; V1351-I1354 PolarHBondContact O-N 3.11Å; V1351-E1355 PolarHBondContact O-N 3.18Å; V1351-E1355 VanDerWaalsContact O-N 3.1Å; V1351-A1387 HydrophobicContact CG2-CB 4.17Å; V1351-F1388 HydrophobicContact CG2-CE2 4.17Å |
| 1352 | H | 72.2 | Confident | 71.8 | Confident | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.8 | -171 | 53 | 0 | 0 | 0 | 112.9 | Q1348 H1349 I1350 E1355 L1356 | Q1348-H1352 WeakPolarHBondContact O-CB 3.37Å; Q1348-H1352 PolarHBondContact O-N 3.34Å; H1349-H1352 WeakPolarHBondContact O-CB 3.35Å; H1349-H1352 PolarHBondContact O-N 3.43Å; I1350-H1352 VanDerWaalsContact C-N 3.28Å; I1350-H1352 PolarHBondContact O-N 3.23Å; H1352-E1355 IonicContact ND1-OE2 3.92Å; H1352-E1355 WeakPolarHBondContact O-CB 3.42Å; H1352-E1355 PolarHBondContact O-N 3.38Å; H1352-L1356 VanDerWaalsContact NE2-CD1 3.34Å; H1352-L1356 WeakPolarHBondContact NE2-CD1 3.41Å; H1352-L1356 WeakPolarHBondContact O-CB 3.46Å; H1352-L1356 WeakPolarHBondContact O-CG 3.22Å; H1352-L1356 PolarHBondContact O-N 3.31Å |
| 1353 | L | 69.8 | Low | 71.9 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 173.7 | -72.4 | 174.5 | 0 | 0 | 0 | 112.3 | I1319 H1349 I1350 V1351 E1355 L1356 Q1357 F1363 | I1319-L1353 HydrophobicContact CG2-CD1 4.16Å; H1349-L1353 WeakPolarHBondContact O-CG 3.31Å; H1349-L1353 PolarHBondContact O-N 3.04Å; I1350-L1353 PolarHBondContact O-N 3.27Å; V1351-L1353 PolarHBondContact O-N 3.05Å; L1353-E1355 VanDerWaalsContact C-N 3.31Å; L1353-E1355 PolarHBondContact O-N 3.37Å; L1353-L1356 PolarHBondContact O-N 2.97Å; L1353-Q1357 WeakPolarHBondContact O-CB 3.43Å; L1353-Q1357 PolarHBondContact O-N 2.93Å; L1353-F1363 HydrophobicContact CB-CE1 3.97Å; L1353-F1363 HydrophobicContact CB-CZ 4.24Å; L1353-F1363 HydrophobicContact CD1-CE1 4.31Å |
| 1354 | I | 71.7 | Confident | 72.1 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 173.1 | -67.1 | 167.2 | 0 | 0 | 0 | 110.6 | I1350 V1351 G1358 F1363 L1364 F1388 Y1417 | I1350-I1354 HydrophobicContact CG2-CD1 4.39Å; I1350-I1354 WeakPolarHBondContact O-CG1 3.41Å; I1350-I1354 PolarHBondContact O-N 3.47Å; V1351-I1354 WeakPolarHBondContact O-CB 3.45Å; V1351-I1354 PolarHBondContact O-N 3.11Å; I1354-G1358 CarbonylContact O-C 3.48Å; I1354-G1358 VanDerWaalsContact O-C 3.31Å; I1354-G1358 PolarHBondContact O-N 3.08Å; I1354-F1363 HydrophobicContact CD1-CB 3.75Å; I1354-F1363 HydrophobicContact CG1-CB 3.47Å; I1354-F1363 VanDerWaalsContact CG1-CB 3.47Å; I1354-F1363 HydrophobicContact CG1-CD2 3.82Å; I1354-F1363 HydrophobicContact CG1-CG 3.74Å; I1354-L1364 HydrophobicContact CD1-CD2 4.29Å; I1354-F1388 HydrophobicContact CD1-CZ 3.95Å; I1354-Y1417 HydrophobicContact CG2-CE2 4.27Å; I1354-Y1417 WeakPolarHBondContact CG2-OH 3.13Å |
| 1355 | E | 69.8 | Low | 72.2 | Confident | 145 Ų | 145 | 54.7 Ų | 54.7 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67 | -39.4 | 176.2 | -68.2 | 177.8 | 163.2 | 0 | 0 | 112.5 | V1351 H1352 L1353 | V1351-E1355 PolarHBondContact O-N 3.18Å; V1351-E1355 VanDerWaalsContact O-N 3.1Å; H1352-E1355 IonicContact ND1-OE2 3.92Å; H1352-E1355 WeakPolarHBondContact O-CB 3.42Å; H1352-E1355 PolarHBondContact O-N 3.38Å; L1353-E1355 VanDerWaalsContact C-N 3.31Å; L1353-E1355 PolarHBondContact O-N 3.37Å |
| 1356 | L | 68.1 | Low | 72.5 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -80.3 | -46.2 | -175.8 | -75 | 175.5 | 0 | 0 | 0 | 114.2 | H1352 L1353 | H1352-L1356 VanDerWaalsContact NE2-CD1 3.34Å; H1352-L1356 WeakPolarHBondContact NE2-CD1 3.41Å; H1352-L1356 WeakPolarHBondContact O-CB 3.46Å; H1352-L1356 WeakPolarHBondContact O-CG 3.22Å; H1352-L1356 PolarHBondContact O-N 3.31Å; L1353-L1356 PolarHBondContact O-N 2.97Å |
| 1357 | Q | 64.5 | Low | 72.6 | Confident | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -95.1 | -1.3 | -173.1 | -63.7 | -164.5 | -8.4 | 0 | 0 | 113.5 | E1320 L1353 F1363 | E1320-Q1357 PolarHBondContact O-NE2 3.27Å; L1353-Q1357 WeakPolarHBondContact O-CB 3.43Å; L1353-Q1357 PolarHBondContact O-N 2.93Å; Q1357-F1363 HydrophobicContact CB-CE2 4.47Å; Q1357-F1363 HydrophobicContact CB-CZ 4.46Å |
| 1358 | G | 65.6 | Low | 72.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | trans | 91.4 | 167.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1354 N1360 | I1354-G1358 CarbonylContact O-C 3.48Å; I1354-G1358 VanDerWaalsContact O-C 3.31Å; I1354-G1358 PolarHBondContact O-N 3.08Å; G1358-N1360 VanDerWaalsContact C-N 3.3Å; G1358-N1360 PolarHBondContact O-N 3.09Å | ||
| 1359 | R | 68.8 | Low | 73 | Confident | 164 Ų | 164 | 45.5 Ų | 45.5 | 62% | 0.619 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -73.6 | 77.2 | -174.5 | -66.8 | -179.7 | -179.2 | 174.6 | -0.5 | 111.5 | Y1417 | R1359-Y1417 HydrophobicContact CB-CD1 3.81Å; R1359-Y1417 HydrophobicContact CB-CD2 3.8Å; R1359-Y1417 HydrophobicContact CB-CE1 3.84Å; R1359-Y1417 HydrophobicContact CB-CE2 3.82Å; R1359-Y1417 HydrophobicContact CB-CG 3.78Å; R1359-Y1417 HydrophobicContact CG-CD1 4.31Å; R1359-Y1417 HydrophobicContact CG-CE1 3.91Å; R1359-Y1417 HydrophobicContact CG-CE2 4.35Å; R1359-Y1417 WeakPolarHBondContact O-CD2 3.47Å |
| 1360 | N | 70.5 | Confident | 73.2 | Confident | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | trans | -98.8 | 133.2 | 176.6 | -174.1 | -26.9 | 0 | 0 | 0 | 111.2 | G1358 I1362 F1363 | G1358-N1360 VanDerWaalsContact C-N 3.3Å; G1358-N1360 PolarHBondContact O-N 3.09Å; N1360-I1362 PolarHBondContact O-N 3.3Å; N1360-I1362 WeakPolarHBondContact OD1-CG1 3.47Å; N1360-I1362 PolarHBondContact OD1-N 3.31Å; N1360-F1363 HydrophobicContact CB-CD2 4.06Å; N1360-F1363 HydrophobicContact CB-CE2 4.07Å | ||
| 1361 | G | 67.9 | Low | 73 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -17.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1363 L1364 K1365 L1411 | G1361-F1363 VanDerWaalsContact C-N 3.34Å; G1361-F1363 PolarHBondContact O-N 3.2Å; G1361-L1364 PolarHBondContact O-N 3.16Å; G1361-K1365 PolarHBondContact O-N 3.12Å; G1361-K1365 VanDerWaalsContact O-N 3.11Å; G1361-L1411 PolarHBondContact N-O 3.27Å |
| 1362 | I | 72.6 | Confident | 72.5 | Confident | 44 Ų | 44 | 44 Ų | 44 | 23% | 0.226 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | -179.7 | -63.3 | 171.8 | 0 | 0 | 0 | 111.5 | A1322 V1325 N1360 L1364 K1365 F1366 L1411 | A1322-I1362 HydrophobicContact CB-CD1 4.43Å; V1325-I1362 HydrophobicContact CB-CG2 3.75Å; V1325-I1362 HydrophobicContact CG1-CG2 3.8Å; V1325-I1362 HydrophobicContact CG2-CG2 4.43Å; N1360-I1362 PolarHBondContact O-N 3.3Å; N1360-I1362 WeakPolarHBondContact OD1-CG1 3.47Å; N1360-I1362 PolarHBondContact OD1-N 3.31Å; I1362-L1364 VanDerWaalsContact C-N 3.28Å; I1362-L1364 PolarHBondContact O-N 3.33Å; I1362-K1365 WeakPolarHBondContact O-CB 3.48Å; I1362-K1365 PolarHBondContact O-N 3.28Å; I1362-F1366 PolarHBondContact O-N 3.4Å; I1362-L1411 HydrophobicContact CB-CD2 4.38Å; I1362-L1411 HydrophobicContact CD1-CD2 4.47Å; I1362-L1411 HydrophobicContact CG1-CB 4.47Å; I1362-L1411 HydrophobicContact CG1-CD2 3.4Å; I1362-L1411 VanDerWaalsContact CG1-CD2 3.4Å |
| 1363 | F | 78 | Confident | 71.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 178.8 | -60.8 | -68.4 | 0 | 0 | 0 | 112.1 | A1322 V1325 I1350 L1353 I1354 Q1357 N1360 G1361 F1366 L1367 | A1322-F1363 HydrophobicContact CB-CE2 4.38Å; A1322-F1363 HydrophobicContact CB-CZ 3.97Å; V1325-F1363 HydrophobicContact CG2-CD1 3.67Å; V1325-F1363 HydrophobicContact CG2-CE1 3.61Å; I1350-F1363 HydrophobicContact CG2-CB 4.17Å; I1350-F1363 HydrophobicContact CG2-CD1 4.32Å; L1353-F1363 HydrophobicContact CB-CE1 3.97Å; L1353-F1363 HydrophobicContact CB-CZ 4.24Å; L1353-F1363 HydrophobicContact CD1-CE1 4.31Å; I1354-F1363 HydrophobicContact CD1-CB 3.75Å; I1354-F1363 HydrophobicContact CG1-CB 3.47Å; I1354-F1363 VanDerWaalsContact CG1-CB 3.47Å; I1354-F1363 HydrophobicContact CG1-CD2 3.82Å; I1354-F1363 HydrophobicContact CG1-CG 3.74Å; Q1357-F1363 HydrophobicContact CB-CE2 4.47Å; Q1357-F1363 HydrophobicContact CB-CZ 4.46Å; N1360-F1363 HydrophobicContact CB-CD2 4.06Å; N1360-F1363 HydrophobicContact CB-CE2 4.07Å; G1361-F1363 VanDerWaalsContact C-N 3.34Å; G1361-F1363 PolarHBondContact O-N 3.2Å; F1363-F1366 WeakPolarHBondContact O-CB 3.43Å; F1363-F1366 PolarHBondContact O-N 3.16Å; F1363-L1367 PolarHBondContact O-N 3.28Å |
| 1364 | L | 77.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 176.6 | -61 | 179.3 | 0 | 0 | 0 | 111.5 | I1354 G1361 I1362 F1366 L1367 Q1368 F1388 Y1417 E1420 L1421 L1424 | I1354-L1364 HydrophobicContact CD1-CD2 4.29Å; G1361-L1364 PolarHBondContact O-N 3.16Å; I1362-L1364 VanDerWaalsContact C-N 3.28Å; I1362-L1364 PolarHBondContact O-N 3.33Å; L1364-F1366 PolarHBondContact O-N 3.23Å; L1364-L1367 HydrophobicContact CD2-CD1 4.23Å; L1364-L1367 PolarHBondContact O-N 3.43Å; L1364-L1367 VanDerWaalsContact O-N 3.09Å; L1364-Q1368 VanDerWaalsContact O-CG 3.29Å; L1364-Q1368 WeakPolarHBondContact O-CG 3.36Å; L1364-Q1368 PolarHBondContact O-N 3.43Å; L1364-F1388 HydrophobicContact CD2-CE1 3.85Å; L1364-F1388 HydrophobicContact CD2-CZ 3.56Å; L1364-Y1417 HydrophobicContact CD1-CD2 3.62Å; L1364-Y1417 HydrophobicContact CD1-CE1 4.41Å; L1364-Y1417 HydrophobicContact CD1-CE2 3.5Å; L1364-Y1417 VanDerWaalsContact CD1-CE2 3.5Å; L1364-Y1417 HydrophobicContact CD1-CG 4.16Å; L1364-Y1417 WeakPolarHBondContact CD1-O 3.48Å; L1364-Y1417 HydrophobicContact CD2-CE2 4.33Å; L1364-Y1417 HydrophobicContact CG-CD2 4.26Å; L1364-Y1417 HydrophobicContact CG-CE2 3.85Å; L1364-E1420 HydrophobicContact CB-CB 4.1Å; L1364-E1420 HydrophobicContact CD1-CB 4.1Å; L1364-L1421 HydrophobicContact CD1-CB 3.86Å; L1364-L1421 HydrophobicContact CD2-CD1 4.41Å; L1364-L1424 HydrophobicContact CD2-CD2 4.09Å |
| 1365 | K | 76.6 | Confident | 70.9 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 173.7 | -75.5 | -176.6 | 175 | 177.3 | 0 | 112.8 | G1361 I1362 T1369 L1411 | G1361-K1365 PolarHBondContact O-N 3.12Å; G1361-K1365 VanDerWaalsContact O-N 3.11Å; I1362-K1365 WeakPolarHBondContact O-CB 3.48Å; I1362-K1365 PolarHBondContact O-N 3.28Å; K1365-T1369 PolarHBondContact O-N 2.74Å; K1365-T1369 PolarHBondContact O-OG1 3.49Å; K1365-L1411 HydrophobicContact CD-CD2 4.13Å |
| 1366 | F | 81.9 | Confident | 70.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 172.5 | 171.7 | -97.9 | 0 | 0 | 0 | 111.8 | V1325 L1328 C1329 F1332 L1346 I1350 I1362 F1363 L1364 Q1368 T1369 L1370 | V1325-F1366 HydrophobicContact CG1-CB 3.65Å; V1325-F1366 HydrophobicContact CG1-CG 4.43Å; L1328-F1366 HydrophobicContact CB-CD2 3.64Å; L1328-F1366 HydrophobicContact CB-CE2 3.61Å; L1328-F1366 HydrophobicContact CD1-CE2 4.39Å; L1328-F1366 HydrophobicContact CD2-CE2 4.43Å; L1328-F1366 HydrophobicContact CG-CE2 4.4Å; C1329-F1366 VanDerWaalsContact SG-CA 3.53Å; F1332-F1366 AromaticContact CD2-CE2 3.58Å; F1332-F1366 HydrophobicContact CD2-CE2 3.58Å; F1332-F1366 AromaticContact CD2-CZ 3.95Å; F1332-F1366 HydrophobicContact CD2-CZ 3.95Å; F1332-F1366 AromaticContact CE2-CE2 3.96Å; F1332-F1366 HydrophobicContact CE2-CE2 3.96Å; F1332-F1366 AromaticContact CE2-CZ 3.94Å; F1332-F1366 HydrophobicContact CE2-CZ 3.94Å; F1332-F1366 HydrophobicContact CG-CE2 4.36Å; L1346-F1366 HydrophobicContact CD2-CZ 4Å; I1350-F1366 HydrophobicContact CD1-CD1 3.14Å; I1350-F1366 HydrophobicContact CD1-CE1 3.09Å; I1350-F1366 HydrophobicContact CD1-CG 4.03Å; I1350-F1366 HydrophobicContact CD1-CZ 3.96Å; I1362-F1366 PolarHBondContact O-N 3.4Å; F1363-F1366 WeakPolarHBondContact O-CB 3.43Å; F1363-F1366 PolarHBondContact O-N 3.16Å; L1364-F1366 PolarHBondContact O-N 3.23Å; F1366-Q1368 VanDerWaalsContact C-N 3.27Å; F1366-Q1368 PolarHBondContact O-N 3.44Å; F1366-T1369 WeakPolarHBondContact O-CA 3.5Å; F1366-T1369 VanDerWaalsContact O-CB 3.25Å; F1366-T1369 WeakPolarHBondContact O-CB 3.24Å; F1366-T1369 PolarHBondContact O-N 3.42Å; F1366-L1370 HydrophobicContact CD1-CD1 4.43Å; F1366-L1370 HydrophobicContact CE1-CD1 3.73Å; F1366-L1370 HydrophobicContact CE1-CD2 4.29Å; F1366-L1370 HydrophobicContact CE1-CG 4.09Å; F1366-L1370 HydrophobicContact CE2-CD2 4.24Å; F1366-L1370 HydrophobicContact CZ-CD1 4.1Å; F1366-L1370 HydrophobicContact CZ-CD2 3.83Å; F1366-L1370 HydrophobicContact CZ-CG 4.13Å; F1366-L1370 PolarHBondContact O-N 2.87Å |
| 1367 | L | 78.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 178.7 | -63.5 | 172.7 | 0 | 0 | 0 | 112.1 | I1347 F1363 L1364 T1369 L1370 I1384 F1388 L1424 | I1347-L1367 HydrophobicContact CG2-CD2 4.48Å; F1363-L1367 PolarHBondContact O-N 3.28Å; L1364-L1367 HydrophobicContact CD2-CD1 4.23Å; L1364-L1367 PolarHBondContact O-N 3.43Å; L1364-L1367 VanDerWaalsContact O-N 3.09Å; L1367-T1369 VanDerWaalsContact C-N 3.3Å; L1367-T1369 PolarHBondContact O-N 2.84Å; L1367-L1370 HydrophobicContact CD2-CD1 4.26Å; L1367-L1370 WeakPolarHBondContact O-CB 3.23Å; L1367-L1370 PolarHBondContact O-N 3.11Å; L1367-I1384 HydrophobicContact CD2-CG1 4.47Å; L1367-F1388 HydrophobicContact CD1-CE2 3.35Å; L1367-F1388 HydrophobicContact CD1-CZ 3.6Å; L1367-L1424 HydrophobicContact CB-CD1 3.81Å; L1367-L1424 HydrophobicContact CB-CD2 3.84Å; L1367-L1424 HydrophobicContact CD1-CD2 3.86Å |
| 1368 | Q | 76.4 | Confident | 71 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 171.7 | -66.8 | 174.8 | 10.3 | 0 | 0 | 111.6 | L1364 F1366 L1370 I1371 E1420 L1424 L1427 | L1364-Q1368 VanDerWaalsContact O-CG 3.29Å; L1364-Q1368 WeakPolarHBondContact O-CG 3.36Å; L1364-Q1368 PolarHBondContact O-N 3.43Å; F1366-Q1368 VanDerWaalsContact C-N 3.27Å; F1366-Q1368 PolarHBondContact O-N 3.44Å; Q1368-L1370 PolarHBondContact O-N 2.97Å; Q1368-I1371 PolarHBondContact O-N 3.22Å; Q1368-I1371 VanDerWaalsContact O-N 3.07Å; Q1368-I1371 VanDerWaalsContact O-O 3.14Å; Q1368-E1420 PolarHBondContact NE2-O 3.13Å; Q1368-E1420 PolarHBondContact NE2-OE2 2.9Å; Q1368-E1420 PolarHBondContact OE1-OE2 2.96Å; Q1368-L1424 HydrophobicContact CB-CD1 4.49Å; Q1368-L1424 HydrophobicContact CG-CB 4.09Å; Q1368-L1424 HydrophobicContact CG-CD1 3.91Å; Q1368-L1427 HydrophobicContact CB-CD1 3.95Å; Q1368-L1427 HydrophobicContact CG-CD1 3.92Å |
| 1369 | T | 78.3 | Confident | 71.4 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -27.3 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | C1329 F1332 R1333 K1365 F1366 L1367 I1371 | C1329-T1369 WeakPolarHBondContact O-CG2 3.28Å; F1332-T1369 HydrophobicContact CB-CG2 4.35Å; R1333-T1369 HydrophobicContact CB-CG2 3.82Å; R1333-T1369 HydrophobicContact CG-CG2 4.39Å; K1365-T1369 PolarHBondContact O-N 2.74Å; K1365-T1369 PolarHBondContact O-OG1 3.49Å; F1366-T1369 WeakPolarHBondContact O-CA 3.5Å; F1366-T1369 VanDerWaalsContact O-CB 3.25Å; F1366-T1369 WeakPolarHBondContact O-CB 3.24Å; F1366-T1369 PolarHBondContact O-N 3.42Å; L1367-T1369 VanDerWaalsContact C-N 3.3Å; L1367-T1369 PolarHBondContact O-N 2.84Å; T1369-I1371 PolarHBondContact O-N 3.35Å |
| 1370 | L | 78.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | 174.7 | -60.2 | -178.5 | 0 | 0 | 0 | 113.2 | F1332 V1342 F1366 L1367 Q1368 P1372 T1380 I1384 | F1332-L1370 HydrophobicContact CB-CD2 3.89Å; F1332-L1370 HydrophobicContact CD1-CD2 3.59Å; F1332-L1370 HydrophobicContact CD2-CD2 4.17Å; F1332-L1370 HydrophobicContact CE1-CD2 4.12Å; F1332-L1370 HydrophobicContact CG-CD2 3.6Å; V1342-L1370 HydrophobicContact CG1-CD1 4.27Å; V1342-L1370 HydrophobicContact CG2-CD1 4.38Å; V1342-L1370 HydrophobicContact CG2-CD2 3.77Å; F1366-L1370 HydrophobicContact CD1-CD1 4.43Å; F1366-L1370 HydrophobicContact CE1-CD1 3.73Å; F1366-L1370 HydrophobicContact CE1-CD2 4.29Å; F1366-L1370 HydrophobicContact CE1-CG 4.09Å; F1366-L1370 HydrophobicContact CE2-CD2 4.24Å; F1366-L1370 HydrophobicContact CZ-CD1 4.1Å; F1366-L1370 HydrophobicContact CZ-CD2 3.83Å; F1366-L1370 HydrophobicContact CZ-CG 4.13Å; F1366-L1370 PolarHBondContact O-N 2.87Å; L1367-L1370 HydrophobicContact CD2-CD1 4.26Å; L1367-L1370 WeakPolarHBondContact O-CB 3.23Å; L1367-L1370 PolarHBondContact O-N 3.11Å; Q1368-L1370 PolarHBondContact O-N 2.97Å; L1370-P1372 VanDerWaalsContact O-CD 3.25Å; L1370-P1372 WeakPolarHBondContact O-CD 3.49Å; L1370-T1380 HydrophobicContact CB-CG2 4.16Å; L1370-I1384 HydrophobicContact CB-CD1 4.17Å; L1370-I1384 HydrophobicContact CD1-CD1 4.26Å |
| 1371 | I | 70.9 | Confident | 72 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -109.9 | 94.2 | -179.9 | -51.8 | 173.8 | 0 | 0 | 0 | 109.2 | Q1368 T1369 E1373 Q1381 I1384 L1424 L1427 | Q1368-I1371 PolarHBondContact O-N 3.22Å; Q1368-I1371 VanDerWaalsContact O-N 3.07Å; Q1368-I1371 VanDerWaalsContact O-O 3.14Å; T1369-I1371 PolarHBondContact O-N 3.35Å; I1371-E1373 PolarHBondContact O-N 3.4Å; I1371-Q1381 HydrophobicContact CD1-CG 4.25Å; I1371-Q1381 HydrophobicContact CG1-CG 4.41Å; I1371-Q1381 HydrophobicContact CG2-CG 4.15Å; I1371-I1384 HydrophobicContact CD1-CD1 3.98Å; I1371-I1384 HydrophobicContact CG1-CD1 3.96Å; I1371-L1424 HydrophobicContact CD1-CD1 4.04Å; I1371-L1427 HydrophobicContact CB-CB 4.42Å; I1371-L1427 HydrophobicContact CD1-CB 4.12Å; I1371-L1427 HydrophobicContact CG2-CB 4.16Å |
| 1372 | P | 63.6 | Low | 72.3 | Confident | 38 Ų | 38 | 47 Ų | 47 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | trans | -67.9 | 126.7 | 179.1 | 21 | -27.8 | 0 | 0 | 0 | 112.6 | L1370 E1374 R1375 I1377 | L1370-P1372 VanDerWaalsContact O-CD 3.25Å; L1370-P1372 WeakPolarHBondContact O-CD 3.49Å; P1372-E1374 PolarHBondContact O-N 2.97Å; P1372-R1375 CarbonylContact O-C 3.37Å; P1372-R1375 PolarHBondContact O-N 3.31Å; P1372-I1377 HydrophobicContact CG-CD1 4.33Å; P1372-I1377 HydrophobicContact CG-CG1 4.33Å | ||
| 1373 | E | 58.8 | Low | 72.4 | Confident | 134 Ų | 134 | 47.9 Ų | 47.9 | 63% | 0.626 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -33.5 | -173.9 | -70.2 | -168.3 | 159.3 | 0 | 0 | 115 | I1371 L1427 | I1371-E1373 PolarHBondContact O-N 3.4Å; E1373-L1427 HydrophobicContact CG-CD2 4.03Å |
| 1374 | E | 57.6 | Low | 72.2 | Confident | 193 Ų | 193 | 48 Ų | 48 | 90% | 0.902 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -30.7 | -174.6 | -69.5 | -165.7 | 166 | 0 | 0 | 113.7 | P1372 | P1372-E1374 PolarHBondContact O-N 2.97Š|
| 1375 | R | 64.2 | Low | 71.9 | Confident | 166 Ų | 166 | 48.5 Ų | 48.5 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -151 | 94 | -178.6 | -67.6 | -167.9 | -170.9 | 179.7 | 4 | 109.8 | P1372 | P1372-R1375 CarbonylContact O-C 3.37Å; P1372-R1375 PolarHBondContact O-N 3.31Å |
| 1376 | P | 66.2 | Low | 71.5 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | trans | -66.8 | 152.8 | -175.8 | 28.4 | -36.6 | 0 | 0 | 0 | 112.6 | V1430 | P1376-V1430 HydrophobicContact CB-CG1 4.45Å; P1376-V1430 HydrophobicContact CG-CG1 4.08Å; P1376-V1430 WeakPolarHBondContact CG-O 3.3Å | ||
| 1377 | I | 69.1 | Low | 70.5 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | trans | -108.1 | 107.6 | 176.7 | -51.5 | 170.8 | 0 | 0 | 0 | 108.1 | R1336 C1339 A1340 P1372 S1379 T1380 Q1381 | R1336-I1377 HydrophobicContact CG-CD1 3.65Å; R1336-I1377 HydrophobicContact CG-CG1 4.07Å; C1339-I1377 HydrophobicContact CB-CD1 3.62Å; A1340-I1377 HydrophobicContact CB-CD1 4.21Å; A1340-I1377 HydrophobicContact CB-CG2 4.35Å; P1372-I1377 HydrophobicContact CG-CD1 4.33Å; P1372-I1377 HydrophobicContact CG-CG1 4.33Å; I1377-S1379 VanDerWaalsContact C-N 3.34Å; I1377-S1379 PolarHBondContact O-N 3.2Å; I1377-T1380 WeakPolarHBondContact CB-OG1 3.47Å; I1377-T1380 VanDerWaalsContact CG2-OG1 3.28Å; I1377-T1380 WeakPolarHBondContact CG2-OG1 3.44Å; I1377-T1380 PolarHBondContact O-N 3.14Å; I1377-Q1381 WeakPolarHBondContact O-CG 3.3Å; I1377-Q1381 PolarHBondContact O-N 3.33Å; I1377-Q1381 VanDerWaalsContact O-N 3.1Å | ||
| 1378 | I | 70.3 | Confident | 69.9 | Low | 99 Ų | 99 | 54.6 Ų | 54.6 | 51% | 0.508 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | -172.4 | -59.3 | 173.6 | 0 | 0 | 0 | 111.7 | T1380 Q1381 D1382 | I1378-T1380 VanDerWaalsContact C-N 3.32Å; I1378-T1380 PolarHBondContact O-N 2.92Å; I1378-Q1381 WeakPolarHBondContact O-CB 3.22Å; I1378-Q1381 PolarHBondContact O-N 2.92Å; I1378-D1382 PolarHBondContact O-N 3.49Å |
| 1379 | S | 72.9 | Confident | 68.6 | Low | 57 Ų | 57 | 64.2 Ų | 64.2 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | -179.5 | 58 | 0 | 0 | 0 | 0 | 113 | I1377 K1383 | I1377-S1379 VanDerWaalsContact C-N 3.34Å; I1377-S1379 PolarHBondContact O-N 3.2Å; S1379-K1383 VanDerWaalsContact O-CG 3.26Å; S1379-K1383 WeakPolarHBondContact O-CG 3.26Å; S1379-K1383 PolarHBondContact O-N 3.05Å; S1379-K1383 VanDerWaalsContact O-N 3.17Å |
| 1380 | T | 74.7 | Confident | 67.4 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.1 | -36.8 | 178.7 | -29.5 | 0 | 0 | 0 | 0 | 110.9 | C1339 L1370 I1377 I1378 K1383 I1384 | C1339-T1380 WeakPolarHBondContact O-CG2 3.36Å; C1339-T1380 PolarHBondContact O-OG1 3.37Å; C1339-T1380 VanDerWaalsContact O-OG1 3.05Å; L1370-T1380 HydrophobicContact CB-CG2 4.16Å; I1377-T1380 WeakPolarHBondContact CB-OG1 3.47Å; I1377-T1380 VanDerWaalsContact CG2-OG1 3.28Å; I1377-T1380 WeakPolarHBondContact CG2-OG1 3.44Å; I1377-T1380 PolarHBondContact O-N 3.14Å; I1378-T1380 VanDerWaalsContact C-N 3.32Å; I1378-T1380 PolarHBondContact O-N 2.92Å; T1380-K1383 PolarHBondContact O-N 3.26Å; T1380-I1384 HydrophobicContact CG2-CD1 4.3Å; T1380-I1384 VanDerWaalsContact O-CG1 3.27Å; T1380-I1384 WeakPolarHBondContact O-CG1 3.49Å; T1380-I1384 PolarHBondContact O-N 2.8Å; T1380-I1384 VanDerWaalsContact O-N 3.08Å |
| 1381 | Q | 78.3 | Confident | 66 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174 | -68.4 | 172.4 | -57.6 | 0 | 0 | 111.4 | I1371 I1377 I1378 I1384 S1385 L1427 C1428 V1430 T1436 | I1371-Q1381 HydrophobicContact CD1-CG 4.25Å; I1371-Q1381 HydrophobicContact CG1-CG 4.41Å; I1371-Q1381 HydrophobicContact CG2-CG 4.15Å; I1377-Q1381 WeakPolarHBondContact O-CG 3.3Å; I1377-Q1381 PolarHBondContact O-N 3.33Å; I1377-Q1381 VanDerWaalsContact O-N 3.1Å; I1378-Q1381 WeakPolarHBondContact O-CB 3.22Å; I1378-Q1381 PolarHBondContact O-N 2.92Å; Q1381-I1384 PolarHBondContact O-N 3.09Å; Q1381-S1385 WeakPolarHBondContact O-CB 3.24Å; Q1381-S1385 PolarHBondContact O-N 2.87Å; Q1381-L1427 PolarHBondContact NE2-O 3.3Å; Q1381-C1428 VanDerWaalsContact CD-O 3.31Å; Q1381-C1428 PolarHBondContact NE2-O 3.21Å; Q1381-V1430 PolarHBondContact NE2-O 3.01Å; Q1381-T1436 HydrophobicContact CB-CG2 4.38Å |
| 1382 | D | 73 | Confident | 65.1 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 177.7 | -71 | -20.9 | 0 | 0 | 0 | 112 | I1378 I1384 S1385 Q1386 N1433 T1435 T1436 | I1378-D1382 PolarHBondContact O-N 3.49Å; D1382-I1384 VanDerWaalsContact C-N 3.34Å; D1382-I1384 PolarHBondContact O-N 3.28Å; D1382-S1385 PolarHBondContact O-N 2.66Å; D1382-Q1386 WeakPolarHBondContact O-CB 3.39Å; D1382-Q1386 WeakPolarHBondContact O-CG 3.49Å; D1382-Q1386 PolarHBondContact O-N 2.99Å; D1382-N1433 PolarHBondContact OD1-ND2 3.24Å; D1382-T1435 PolarHBondContact OD1-OG1 2.86Å; D1382-T1436 WeakPolarHBondContact OD1-CG2 3.43Å |
| 1383 | K | 75.6 | Confident | 64.6 | Low | 64 Ų | 64 | 77.9 Ų | 77.9 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 178.9 | -73.4 | 174.2 | -179.2 | -152.6 | 0 | 112.3 | V1342 D1344 I1347 S1379 T1380 A1387 | V1342-K1383 PolarHBondContact O-NZ 3.37Å; V1342-K1383 VanDerWaalsContact O-NZ 3.11Å; D1344-K1383 VanDerWaalsContact OD1-CD 3.24Å; D1344-K1383 WeakPolarHBondContact OD1-CD 3.47Å; D1344-K1383 WeakPolarHBondContact OD1-CE 3.49Å; D1344-K1383 IonicContact OD1-NZ 3.64Å; D1344-K1383 PolarHBondContact OD1-NZ 3.48Å; I1347-K1383 HydrophobicContact CD1-CB 3.89Å; I1347-K1383 HydrophobicContact CD1-CD 4.35Å; S1379-K1383 VanDerWaalsContact O-CG 3.26Å; S1379-K1383 WeakPolarHBondContact O-CG 3.26Å; S1379-K1383 PolarHBondContact O-N 3.05Å; S1379-K1383 VanDerWaalsContact O-N 3.17Å; T1380-K1383 PolarHBondContact O-N 3.26Å; K1383-A1387 WeakPolarHBondContact O-CB 3.35Å; K1383-A1387 PolarHBondContact O-N 3.2Å |
| 1384 | I | 72.6 | Confident | 64.7 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 179.1 | -66.5 | 168.3 | 0 | 0 | 0 | 110.4 | I1347 L1367 L1370 I1371 T1380 Q1381 D1382 Q1386 A1387 F1388 L1424 | I1347-I1384 HydrophobicContact CD1-CG1 4.32Å; L1367-I1384 HydrophobicContact CD2-CG1 4.47Å; L1370-I1384 HydrophobicContact CB-CD1 4.17Å; L1370-I1384 HydrophobicContact CD1-CD1 4.26Å; I1371-I1384 HydrophobicContact CD1-CD1 3.98Å; I1371-I1384 HydrophobicContact CG1-CD1 3.96Å; T1380-I1384 HydrophobicContact CG2-CD1 4.3Å; T1380-I1384 VanDerWaalsContact O-CG1 3.27Å; T1380-I1384 WeakPolarHBondContact O-CG1 3.49Å; T1380-I1384 PolarHBondContact O-N 2.8Å; T1380-I1384 VanDerWaalsContact O-N 3.08Å; Q1381-I1384 PolarHBondContact O-N 3.09Å; D1382-I1384 VanDerWaalsContact C-N 3.34Å; D1382-I1384 PolarHBondContact O-N 3.28Å; I1384-Q1386 PolarHBondContact O-N 2.99Å; I1384-A1387 PolarHBondContact O-N 3.39Å; I1384-A1387 VanDerWaalsContact O-N 3.14Å; I1384-F1388 HydrophobicContact CG2-CD2 4.46Å; I1384-F1388 PolarHBondContact O-N 2.91Å; I1384-L1424 HydrophobicContact CG2-CD1 4.21Å; I1384-L1424 HydrophobicContact CG2-CD2 4.02Å; I1384-L1424 HydrophobicContact CG2-CG 4.25Å |
| 1385 | S | 71.7 | Confident | 64.7 | Low | 12 Ų | 12 | 66.9 Ų | 66.9 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | Q1381 D1382 A1387 F1388 Q1439 | Q1381-S1385 WeakPolarHBondContact O-CB 3.24Å; Q1381-S1385 PolarHBondContact O-N 2.87Å; D1382-S1385 PolarHBondContact O-N 2.66Å; S1385-A1387 PolarHBondContact O-N 3.32Å; S1385-F1388 PolarHBondContact O-N 3.34Å; S1385-Q1439 PolarHBondContact OG-OE1 3.23Å |
| 1386 | Q | 68 | Low | 65.2 | Low | 149 Ų | 149 | 66.1 Ų | 66.1 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.2 | -27.4 | 177.4 | -74.1 | 178.2 | 8.4 | 0 | 0 | 113.4 | D1382 I1384 | D1382-Q1386 WeakPolarHBondContact O-CB 3.39Å; D1382-Q1386 WeakPolarHBondContact O-CG 3.49Å; D1382-Q1386 PolarHBondContact O-N 2.99Å; I1384-Q1386 PolarHBondContact O-N 2.99Å |
| 1387 | A | 61.1 | Low | 65.5 | Low | 33 Ų | 33 | 67.6 Ų | 67.6 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.1 | -19.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | I1347 V1351 K1383 I1384 S1385 | I1347-A1387 HydrophobicContact CG2-CB 3.93Å; V1351-A1387 HydrophobicContact CG2-CB 4.17Å; K1383-A1387 WeakPolarHBondContact O-CB 3.35Å; K1383-A1387 PolarHBondContact O-N 3.2Å; I1384-A1387 PolarHBondContact O-N 3.39Å; I1384-A1387 VanDerWaalsContact O-N 3.14Å; S1385-A1387 PolarHBondContact O-N 3.32Å |
| 1388 | F | 65.3 | Low | 65.6 | Low | 25 Ų | 25 | 67 Ų | 67 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | trans | -99.1 | 108.1 | -179.1 | -87.9 | -95.5 | 0 | 0 | 0 | 112.4 | V1351 I1354 L1364 L1367 I1384 S1385 L1421 L1424 | V1351-F1388 HydrophobicContact CG2-CE2 4.17Å; I1354-F1388 HydrophobicContact CD1-CZ 3.95Å; L1364-F1388 HydrophobicContact CD2-CE1 3.85Å; L1364-F1388 HydrophobicContact CD2-CZ 3.56Å; L1367-F1388 HydrophobicContact CD1-CE2 3.35Å; L1367-F1388 HydrophobicContact CD1-CZ 3.6Å; I1384-F1388 HydrophobicContact CG2-CD2 4.46Å; I1384-F1388 PolarHBondContact O-N 2.91Å; S1385-F1388 PolarHBondContact O-N 3.34Å; F1388-L1421 HydrophobicContact CD1-CD1 3.83Å; F1388-L1421 HydrophobicContact CE1-CD1 3.88Å; F1388-L1424 HydrophobicContact CE2-CD2 4.18Å; F1388-L1424 HydrophobicContact CZ-CD2 4.38Å | ||
| 1389 | Y | 50.5 | Low | 65.6 | Low | 229 Ų | 229 | 63.2 Ų | 63.2 | 90% | 0.898 | 34% | 0.337 | S | S | * | . | trans | -98.3 | 102 | 169.4 | -156.7 | -92.3 | 0 | 0 | 0 | 108.2 | ||||
| 1390 | T | 53.6 | Low | 65.6 | Low | 38 Ų | 38 | 61.5 Ų | 61.5 | 23% | 0.233 | 33% | 0.329 | C | S | . | . | trans | -99.9 | 125.2 | -178.3 | 39.8 | 0 | 0 | 0 | 0 | 112.1 | L1421 H1443 | T1390-L1421 HydrophobicContact CG2-CD2 4.04Å; T1390-H1443 PolarHBondContact OG1-CE1 2.89Å; T1390-H1443 PolarHBondContact OG1-ND1 3.19Å | ||
| 1391 | D | 48.2 | Very low | 65.5 | Low | 144 Ų | 144 | 63.4 Ų | 63.4 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | trans | -67.2 | 138.5 | 170.8 | -152.8 | -1.2 | 0 | 0 | 0 | 109.1 | A1393 | D1391-A1393 PolarHBondContact O-N 3.43Š| ||
| 1392 | N | 51.2 | Low | 65.3 | Low | 133 Ų | 133 | 63.8 Ų | 63.8 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | trans | -72.5 | 74.8 | -175.8 | -66.6 | -11.4 | 0 | 0 | 0 | 109.9 | G1394 | N1392-G1394 VanDerWaalsContact C-N 3.32Å; N1392-G1394 PolarHBondContact O-N 2.9Å | ||
| 1393 | A | 53.7 | Low | 65.3 | Low | 50 Ų | 50 | 68.2 Ų | 68.2 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -63.2 | 100.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | D1391 | D1391-A1393 PolarHBondContact O-N 3.43Š| ||
| 1394 | G | 60.7 | Low | 65.1 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | trans | -60.3 | 151.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1392 E1396 T1397 | N1392-G1394 VanDerWaalsContact C-N 3.32Å; N1392-G1394 PolarHBondContact O-N 2.9Å; G1394-E1396 PolarHBondContact O-N 2.93Å; G1394-T1397 WeakPolarHBondContact O-CB 3.17Å; G1394-T1397 PolarHBondContact O-N 3.13Å; G1394-T1397 PolarHBondContact O-OG1 2.81Å | ||
| 1395 | F | 58.9 | Low | 64.7 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -36.4 | -43.2 | 177.7 | 175.3 | -109.4 | 0 | 0 | 0 | 114.7 | T1397 L1398 V1399 H1448 H1451 V1452 | F1395-T1397 VanDerWaalsContact C-N 3.27Å; F1395-T1397 PolarHBondContact O-N 3.38Å; F1395-L1398 WeakPolarHBondContact O-CB 3.31Å; F1395-L1398 PolarHBondContact O-N 3.39Å; F1395-V1399 HydrophobicContact CD1-CG2 4.11Å; F1395-V1399 HydrophobicContact CD2-CG2 4.22Å; F1395-V1399 HydrophobicContact CE1-CG2 3.7Å; F1395-V1399 HydrophobicContact CE2-CG2 3.81Å; F1395-V1399 HydrophobicContact CG-CG2 4.37Å; F1395-V1399 HydrophobicContact CZ-CG2 3.54Å; F1395-V1399 WeakPolarHBondContact O-CG2 3.13Å; F1395-V1399 PolarHBondContact O-N 3.41Å; F1395-H1448 AromaticContact CD2-CD2 3.59Å; F1395-H1448 AromaticContact CD2-NE2 3.76Å; F1395-H1451 HydrophobicContact CD2-CB 4.17Å; F1395-H1451 HydrophobicContact CE1-CB 4.42Å; F1395-H1451 HydrophobicContact CE2-CB 3.65Å; F1395-H1451 HydrophobicContact CZ-CB 3.79Å; F1395-V1452 HydrophobicContact CD2-CG2 3.66Å; F1395-V1452 HydrophobicContact CE2-CB 4.43Å; F1395-V1452 HydrophobicContact CE2-CG2 3.64Å |
| 1396 | E | 73.3 | Confident | 64.1 | Low | 149 Ų | 149 | 79 Ų | 79 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -53.6 | -38.9 | 177.3 | -67.8 | -64.2 | 152.4 | 0 | 0 | 113.7 | G1394 L1398 G1400 | G1394-E1396 PolarHBondContact O-N 2.93Å; E1396-L1398 VanDerWaalsContact C-N 3.35Å; E1396-G1400 PolarHBondContact O-N 3.05Å |
| 1397 | T | 72.3 | Confident | 63.6 | Low | 72 Ų | 72 | 77.3 Ų | 77.3 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178.7 | -27.8 | 0 | 0 | 0 | 0 | 110.9 | G1394 F1395 G1400 M1401 | G1394-T1397 WeakPolarHBondContact O-CB 3.17Å; G1394-T1397 PolarHBondContact O-N 3.13Å; G1394-T1397 PolarHBondContact O-OG1 2.81Å; F1395-T1397 VanDerWaalsContact C-N 3.27Å; F1395-T1397 PolarHBondContact O-N 3.38Å; T1397-G1400 PolarHBondContact O-N 2.85Å; T1397-M1401 HydrophobicContact CG2-CE 4.11Å; T1397-M1401 WeakPolarHBondContact O-CG 3.37Å; T1397-M1401 PolarHBondContact O-N 3.35Å |
| 1398 | L | 71.7 | Confident | 63.9 | Low | 10 Ų | 10 | 77.8 Ų | 77.8 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 178.9 | -170.3 | 74.7 | 0 | 0 | 0 | 110.9 | F1395 E1396 G1400 M1401 M1402 L1415 H1418 V1452 L1462 Y1466 | F1395-L1398 WeakPolarHBondContact O-CB 3.31Å; F1395-L1398 PolarHBondContact O-N 3.39Å; E1396-L1398 VanDerWaalsContact C-N 3.35Å; L1398-G1400 VanDerWaalsContact C-N 3.31Å; L1398-G1400 PolarHBondContact O-N 3.42Å; L1398-M1401 PolarHBondContact O-N 2.67Å; L1398-M1401 VanDerWaalsContact O-N 3.16Å; L1398-M1402 HydrophobicContact CG-SD 4.25Å; L1398-M1402 VanDerWaalsContact O-CG 3.27Å; L1398-M1402 WeakPolarHBondContact O-CG 3.46Å; L1398-M1402 PolarHBondContact O-N 3.49Å; L1398-L1415 HydrophobicContact CD1-CD1 4.19Å; L1398-H1418 HydrophobicContact CD1-CB 4.43Å; L1398-V1452 HydrophobicContact CD2-CG1 4.08Å; L1398-V1452 HydrophobicContact CD2-CG2 3.69Å; L1398-L1462 HydrophobicContact CD2-CD2 4.5Å; L1398-Y1466 HydrophobicContact CD2-CE2 4.44Å; L1398-Y1466 WeakPolarHBondContact CD2-OH 3.02Å |
| 1399 | V | 69.8 | Low | 63.6 | Low | 19 Ų | 19 | 81.1 Ų | 81.1 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | F1395 M1401 M1402 E1403 | F1395-V1399 HydrophobicContact CD1-CG2 4.11Å; F1395-V1399 HydrophobicContact CD2-CG2 4.22Å; F1395-V1399 HydrophobicContact CE1-CG2 3.7Å; F1395-V1399 HydrophobicContact CE2-CG2 3.81Å; F1395-V1399 HydrophobicContact CG-CG2 4.37Å; F1395-V1399 HydrophobicContact CZ-CG2 3.54Å; F1395-V1399 WeakPolarHBondContact O-CG2 3.13Å; F1395-V1399 PolarHBondContact O-N 3.41Å; V1399-M1401 VanDerWaalsContact C-N 3.35Å; V1399-M1401 PolarHBondContact O-N 3.48Å; V1399-M1402 WeakPolarHBondContact O-CB 3.41Å; V1399-M1402 PolarHBondContact O-N 2.79Å; V1399-M1402 VanDerWaalsContact O-N 3.16Å; V1399-E1403 WeakPolarHBondContact O-CG 3.5Å; V1399-E1403 PolarHBondContact O-N 3.19Å |
| 1400 | G | 72.8 | Confident | 64.3 | Low | 21 Ų | 21 | 74.4 Ų | 74.4 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1396 T1397 L1398 E1403 Q1404 | E1396-G1400 PolarHBondContact O-N 3.05Å; T1397-G1400 PolarHBondContact O-N 2.85Å; L1398-G1400 VanDerWaalsContact C-N 3.31Å; L1398-G1400 PolarHBondContact O-N 3.42Å; G1400-E1403 PolarHBondContact O-N 3.48Å; G1400-Q1404 WeakPolarHBondContact O-CB 3.44Å; G1400-Q1404 VanDerWaalsContact O-CG 3.22Å; G1400-Q1404 WeakPolarHBondContact O-CG 3.35Å; G1400-Q1404 PolarHBondContact O-N 3.3Å |
| 1401 | M | 74.1 | Confident | 64.7 | Low | 43 Ų | 43 | 75 Ų | 75 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 174.5 | -70.8 | -177.7 | -162.4 | 0 | 0 | 112.2 | T1397 L1398 V1399 Q1404 S1405 P1414 L1415 | T1397-M1401 HydrophobicContact CG2-CE 4.11Å; T1397-M1401 WeakPolarHBondContact O-CG 3.37Å; T1397-M1401 PolarHBondContact O-N 3.35Å; L1398-M1401 PolarHBondContact O-N 2.67Å; L1398-M1401 VanDerWaalsContact O-N 3.16Å; V1399-M1401 VanDerWaalsContact C-N 3.35Å; V1399-M1401 PolarHBondContact O-N 3.48Å; M1401-Q1404 PolarHBondContact O-N 3.15Å; M1401-S1405 WeakPolarHBondContact O-CB 3.42Å; M1401-S1405 PolarHBondContact O-N 2.91Å; M1401-S1405 PolarHBondContact O-OG 3.37Å; M1401-P1414 HydrophobicContact SD-CB 4.1Å; M1401-L1415 HydrophobicContact CB-CD1 4.42Å |
| 1402 | M | 74.3 | Confident | 65.5 | Low | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.039 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 177.9 | -71.6 | 168 | 46.7 | 0 | 0 | 112 | L1398 V1399 Q1404 S1405 L1415 N1457 C1458 F1459 L1462 | L1398-M1402 HydrophobicContact CG-SD 4.25Å; L1398-M1402 VanDerWaalsContact O-CG 3.27Å; L1398-M1402 WeakPolarHBondContact O-CG 3.46Å; L1398-M1402 PolarHBondContact O-N 3.49Å; V1399-M1402 WeakPolarHBondContact O-CB 3.41Å; V1399-M1402 PolarHBondContact O-N 2.79Å; V1399-M1402 VanDerWaalsContact O-N 3.16Å; M1402-Q1404 VanDerWaalsContact C-N 3.3Å; M1402-Q1404 PolarHBondContact O-N 3.31Å; M1402-S1405 PolarHBondContact O-OG 3.3Å; M1402-L1415 HydrophobicContact CG-CD1 4.17Å; M1402-L1415 HydrophobicContact CG-CD2 4.44Å; M1402-N1457 HydrophobicContact CE-CB 4.43Å; M1402-N1457 WeakPolarHBondContact CE-O 3.43Å; M1402-C1458 HydrophobicContact CE-CB 3.89Å; M1402-F1459 HydrophobicContact CB-CE2 4.49Å; M1402-L1462 HydrophobicContact CG-CD2 4.24Å; M1402-L1462 HydrophobicContact SD-CD2 3.68Å |
| 1403 | E | 72.7 | Confident | 66.5 | Low | 135 Ų | 135 | 66.4 Ų | 66.4 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.6 | -27.5 | 176.2 | -70.4 | -180 | 168.6 | 0 | 0 | 113.1 | V1399 G1400 | V1399-E1403 WeakPolarHBondContact O-CG 3.5Å; V1399-E1403 PolarHBondContact O-N 3.19Å; G1400-E1403 PolarHBondContact O-N 3.48Å |
| 1404 | Q | 70.6 | Confident | 67.4 | Low | 160 Ų | 160 | 67.7 Ų | 67.7 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -89.4 | -19.1 | -177.6 | -70.7 | 173.9 | 12.7 | 0 | 0 | 114.6 | G1400 M1401 M1402 | G1400-Q1404 WeakPolarHBondContact O-CB 3.44Å; G1400-Q1404 VanDerWaalsContact O-CG 3.22Å; G1400-Q1404 WeakPolarHBondContact O-CG 3.35Å; G1400-Q1404 PolarHBondContact O-N 3.3Å; M1401-Q1404 PolarHBondContact O-N 3.15Å; M1402-Q1404 VanDerWaalsContact C-N 3.3Å; M1402-Q1404 PolarHBondContact O-N 3.31Å |
| 1405 | S | 63.6 | Low | 68.2 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | trans | -92.4 | 113.6 | -169 | 36.8 | 0 | 0 | 0 | 0 | 112.6 | M1401 M1402 L1415 F1459 | M1401-S1405 WeakPolarHBondContact O-CB 3.42Å; M1401-S1405 PolarHBondContact O-N 2.91Å; M1401-S1405 PolarHBondContact O-OG 3.37Å; M1402-S1405 PolarHBondContact O-OG 3.3Å; S1405-L1415 WeakPolarHBondContact OG-CD2 3.49Å; S1405-F1459 WeakPolarHBondContact O-CZ 3.47Å | ||
| 1406 | C | 59.7 | Low | 69.1 | Low | 130 Ų | 130 | 63.6 Ų | 63.6 | 88% | 0.878 | 36% | 0.36 | S | S | * | . | trans | -95.2 | -22.9 | -179.8 | -57 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1407 | N | 58.5 | Low | 69.2 | Low | 114 Ų | 114 | 57.3 Ų | 57.3 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | trans | -143.6 | 118.6 | -173.8 | -119 | -20.9 | 0 | 0 | 0 | 111.6 | N1413 | N1407-N1413 PolarHBondContact O-ND2 2.91Å; N1407-N1413 VanDerWaalsContact O-ND2 3.1Å | ||
| 1408 | L | 65.8 | Low | 69.5 | Low | 42 Ų | 42 | 55.3 Ų | 55.3 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -88.7 | -2.1 | 179.1 | -74.5 | 166.1 | 0 | 0 | 0 | 113.6 | D1410 L1415 C1416 I1419 F1459 E1461 | L1408-D1410 VanDerWaalsContact C-N 3.3Å; L1408-D1410 PolarHBondContact O-N 3.29Å; L1408-L1415 HydrophobicContact CD2-CD2 3.95Å; L1408-L1415 HydrophobicContact CD2-CG 4.27Å; L1408-C1416 PolarHBondContact O-SG 2.8Å; L1408-I1419 HydrophobicContact CD2-CD1 3.68Å; L1408-F1459 HydrophobicContact CD1-CB 4.13Å; L1408-F1459 HydrophobicContact CD1-CD1 3.94Å; L1408-F1459 HydrophobicContact CD1-CG 3.97Å; L1408-E1461 HydrophobicContact CD1-CB 4.37Å; L1408-E1461 HydrophobicContact CD1-CG 4.22Å |
| 1409 | S | 60.2 | Low | 69.9 | Low | 95 Ų | 95 | 55.4 Ų | 55.4 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -71.5 | -24.1 | 178.8 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | L1411 | S1409-L1411 PolarHBondContact O-N 3.17Š|
| 1410 | D | 63.8 | Low | 70.4 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | trans | -81.9 | 111.5 | 176.4 | -167.6 | -13.5 | 0 | 0 | 0 | 110.8 | L1408 S1412 N1413 C1416 | L1408-D1410 VanDerWaalsContact C-N 3.3Å; L1408-D1410 PolarHBondContact O-N 3.29Å; D1410-S1412 PolarHBondContact O-N 2.73Å; D1410-S1412 WeakPolarHBondContact OD1-CB 3.29Å; D1410-S1412 PolarHBondContact OD1-N 2.83Å; D1410-S1412 PolarHBondContact OD1-OG 2.98Å; D1410-S1412 PolarHBondContact OD2-OG 3.13Å; D1410-N1413 WeakPolarHBondContact O-CB 3.49Å; D1410-N1413 PolarHBondContact O-N 2.81Å; D1410-N1413 VanDerWaalsContact O-N 3.12Å; D1410-C1416 PolarHBondContact O-SG 3.41Å; D1410-C1416 VanDerWaalsContact O-SG 3.38Å | ||
| 1411 | L | 62.1 | Low | 70.8 | Confident | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -13.4 | 179 | -108.2 | 83.9 | 0 | 0 | 0 | 113.7 | G1361 I1362 K1365 S1409 N1413 | G1361-L1411 PolarHBondContact N-O 3.27Å; I1362-L1411 HydrophobicContact CB-CD2 4.38Å; I1362-L1411 HydrophobicContact CD1-CD2 4.47Å; I1362-L1411 HydrophobicContact CG1-CB 4.47Å; I1362-L1411 HydrophobicContact CG1-CD2 3.4Å; I1362-L1411 VanDerWaalsContact CG1-CD2 3.4Å; K1365-L1411 HydrophobicContact CD-CD2 4.13Å; S1409-L1411 PolarHBondContact O-N 3.17Å; L1411-N1413 VanDerWaalsContact C-N 3.3Å |
| 1412 | S | 65.1 | Low | 71.2 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.7 | 174.1 | 73 | 0 | 0 | 0 | 0 | 113.2 | D1410 | D1410-S1412 PolarHBondContact O-N 2.73Å; D1410-S1412 WeakPolarHBondContact OD1-CB 3.29Å; D1410-S1412 PolarHBondContact OD1-N 2.83Å; D1410-S1412 PolarHBondContact OD1-OG 2.98Å; D1410-S1412 PolarHBondContact OD2-OG 3.13Å |
| 1413 | N | 72.1 | Confident | 71.7 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -63.3 | 127.9 | 176.8 | -175.4 | -23.4 | 0 | 0 | 0 | 110.6 | N1407 D1410 L1411 L1415 C1416 Y1417 | N1407-N1413 PolarHBondContact O-ND2 2.91Å; N1407-N1413 VanDerWaalsContact O-ND2 3.1Å; D1410-N1413 WeakPolarHBondContact O-CB 3.49Å; D1410-N1413 PolarHBondContact O-N 2.81Å; D1410-N1413 VanDerWaalsContact O-N 3.12Å; L1411-N1413 VanDerWaalsContact C-N 3.3Å; N1413-L1415 PolarHBondContact O-N 2.71Å; N1413-L1415 VanDerWaalsContact O-N 3.14Å; N1413-L1415 PolarHBondContact OD1-N 3.3Å; N1413-C1416 HydrophobicContact CB-CB 4.24Å; N1413-C1416 WeakPolarHBondContact O-CB 3.49Å; N1413-C1416 PolarHBondContact O-N 2.9Å; N1413-Y1417 PolarHBondContact O-N 3.28Å |
| 1414 | P | 72.7 | Confident | 72.1 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.9 | -34.5 | 178 | -27.4 | 34.2 | 0 | 0 | 0 | 114.1 | M1401 Y1417 H1418 | M1401-P1414 HydrophobicContact SD-CB 4.1Å; P1414-Y1417 PolarHBondContact O-N 3.1Å; P1414-H1418 PolarHBondContact O-N 2.78Å |
| 1415 | L | 77.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 177.2 | -173.8 | 64.9 | 0 | 0 | 0 | 111.8 | L1398 M1401 M1402 S1405 L1408 N1413 Y1417 H1418 I1419 F1459 | L1398-L1415 HydrophobicContact CD1-CD1 4.19Å; M1401-L1415 HydrophobicContact CB-CD1 4.42Å; M1402-L1415 HydrophobicContact CG-CD1 4.17Å; M1402-L1415 HydrophobicContact CG-CD2 4.44Å; S1405-L1415 WeakPolarHBondContact OG-CD2 3.49Å; L1408-L1415 HydrophobicContact CD2-CD2 3.95Å; L1408-L1415 HydrophobicContact CD2-CG 4.27Å; N1413-L1415 PolarHBondContact O-N 2.71Å; N1413-L1415 VanDerWaalsContact O-N 3.14Å; N1413-L1415 PolarHBondContact OD1-N 3.3Å; L1415-Y1417 VanDerWaalsContact C-N 3.33Å; L1415-Y1417 PolarHBondContact O-N 3.01Å; L1415-H1418 PolarHBondContact O-N 2.85Å; L1415-I1419 HydrophobicContact CG-CD1 4.15Å; L1415-I1419 WeakPolarHBondContact O-CG1 3.46Å; L1415-I1419 PolarHBondContact O-N 2.79Å; L1415-F1459 HydrophobicContact CD2-CD2 3.65Å; L1415-F1459 HydrophobicContact CD2-CE2 3.64Å |
| 1416 | C | 77.1 | Confident | 73.2 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 176.1 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | L1408 D1410 N1413 H1418 I1419 E1420 | L1408-C1416 PolarHBondContact O-SG 2.8Å; D1410-C1416 PolarHBondContact O-SG 3.41Å; D1410-C1416 VanDerWaalsContact O-SG 3.38Å; N1413-C1416 HydrophobicContact CB-CB 4.24Å; N1413-C1416 WeakPolarHBondContact O-CB 3.49Å; N1413-C1416 PolarHBondContact O-N 2.9Å; C1416-H1418 VanDerWaalsContact C-N 3.34Å; C1416-I1419 PolarHBondContact O-N 2.69Å; C1416-E1420 PolarHBondContact O-N 3.33Å |
| 1417 | Y | 77.2 | Confident | 74.1 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.3 | -179.4 | -94.3 | 0 | 0 | 0 | 111.4 | I1354 R1359 L1364 N1413 P1414 L1415 E1420 L1421 | I1354-Y1417 HydrophobicContact CG2-CE2 4.27Å; I1354-Y1417 WeakPolarHBondContact CG2-OH 3.13Å; R1359-Y1417 HydrophobicContact CB-CD1 3.81Å; R1359-Y1417 HydrophobicContact CB-CD2 3.8Å; R1359-Y1417 HydrophobicContact CB-CE1 3.84Å; R1359-Y1417 HydrophobicContact CB-CE2 3.82Å; R1359-Y1417 HydrophobicContact CB-CG 3.78Å; R1359-Y1417 HydrophobicContact CG-CD1 4.31Å; R1359-Y1417 HydrophobicContact CG-CE1 3.91Å; R1359-Y1417 HydrophobicContact CG-CE2 4.35Å; R1359-Y1417 WeakPolarHBondContact O-CD2 3.47Å; L1364-Y1417 HydrophobicContact CD1-CD2 3.62Å; L1364-Y1417 HydrophobicContact CD1-CE1 4.41Å; L1364-Y1417 HydrophobicContact CD1-CE2 3.5Å; L1364-Y1417 VanDerWaalsContact CD1-CE2 3.5Å; L1364-Y1417 HydrophobicContact CD1-CG 4.16Å; L1364-Y1417 WeakPolarHBondContact CD1-O 3.48Å; L1364-Y1417 HydrophobicContact CD2-CE2 4.33Å; L1364-Y1417 HydrophobicContact CG-CD2 4.26Å; L1364-Y1417 HydrophobicContact CG-CE2 3.85Å; N1413-Y1417 PolarHBondContact O-N 3.28Å; P1414-Y1417 PolarHBondContact O-N 3.1Å; L1415-Y1417 VanDerWaalsContact C-N 3.33Å; L1415-Y1417 PolarHBondContact O-N 3.01Å; Y1417-E1420 PolarHBondContact O-N 2.79Å; Y1417-L1421 HydrophobicContact CE1-CD2 4.42Å; Y1417-L1421 WeakPolarHBondContact O-CB 3.43Å; Y1417-L1421 PolarHBondContact O-N 2.9Å |
| 1418 | H | 77.6 | Confident | 74.9 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.1 | -96.7 | -34.7 | 0 | 0 | 0 | 113.3 | L1398 P1414 L1415 C1416 E1420 L1421 I1422 | L1398-H1418 HydrophobicContact CD1-CB 4.43Å; P1414-H1418 PolarHBondContact O-N 2.78Å; L1415-H1418 PolarHBondContact O-N 2.85Å; C1416-H1418 VanDerWaalsContact C-N 3.34Å; H1418-E1420 VanDerWaalsContact C-N 3.34Å; H1418-E1420 PolarHBondContact O-N 3.15Å; H1418-L1421 PolarHBondContact O-N 3.01Å; H1418-I1422 WeakPolarHBondContact O-CG1 3.47Å; H1418-I1422 PolarHBondContact O-N 2.78Å |
| 1419 | I | 81 | Confident | 75.4 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | 175.4 | -69.4 | 165.1 | 0 | 0 | 0 | 110.3 | L1408 L1415 C1416 L1421 R1423 E1461 L1462 V1465 | L1408-I1419 HydrophobicContact CD2-CD1 3.68Å; L1415-I1419 HydrophobicContact CG-CD1 4.15Å; L1415-I1419 WeakPolarHBondContact O-CG1 3.46Å; L1415-I1419 PolarHBondContact O-N 2.79Å; C1416-I1419 PolarHBondContact O-N 2.69Å; I1419-L1421 VanDerWaalsContact C-N 3.33Å; I1419-L1421 PolarHBondContact O-N 2.93Å; I1419-R1423 WeakPolarHBondContact O-CB 3.2Å; I1419-R1423 PolarHBondContact O-N 2.77Å; I1419-R1423 VanDerWaalsContact O-N 3.07Å; I1419-E1461 HydrophobicContact CD1-CB 4.26Å; I1419-L1462 HydrophobicContact CD1-CD1 4.43Å; I1419-L1462 HydrophobicContact CG1-CB 4.35Å; I1419-L1462 HydrophobicContact CG1-CD1 3.51Å; I1419-V1465 HydrophobicContact CG2-CG2 3.92Å |
| 1420 | E | 80.3 | Confident | 76.1 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.3 | -25.1 | -179.4 | -63.3 | -61.8 | -168.6 | 0 | 0 | 113.4 | L1364 Q1368 C1416 Y1417 H1418 R1423 L1424 | L1364-E1420 HydrophobicContact CB-CB 4.1Å; L1364-E1420 HydrophobicContact CD1-CB 4.1Å; Q1368-E1420 PolarHBondContact NE2-O 3.13Å; Q1368-E1420 PolarHBondContact NE2-OE2 2.9Å; Q1368-E1420 PolarHBondContact OE1-OE2 2.96Å; C1416-E1420 PolarHBondContact O-N 3.33Å; Y1417-E1420 PolarHBondContact O-N 2.79Å; H1418-E1420 VanDerWaalsContact C-N 3.34Å; H1418-E1420 PolarHBondContact O-N 3.15Å; E1420-R1423 IonicContact OE1-NH1 3.75Å; E1420-R1423 PolarHBondContact OE1-NH1 3.17Å; E1420-R1423 WeakPolarHBondContact OE2-CD 3.25Å; E1420-R1423 IonicContact OE2-CZ 3.67Å; E1420-R1423 IonicContact OE2-NE 3.05Å; E1420-R1423 IonicContact OE2-NH1 2.78Å; E1420-R1423 PolarHBondContact OE2-NH1 2.91Å; E1420-L1424 WeakPolarHBondContact O-CB 3.32Å; E1420-L1424 PolarHBondContact O-N 3.43Å |
| 1421 | L | 81.1 | Confident | 76.3 | Confident | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -48.5 | 174 | 179.1 | 65.1 | 0 | 0 | 0 | 111.1 | L1364 F1388 T1390 Y1417 H1418 I1419 R1423 L1424 L1425 | L1364-L1421 HydrophobicContact CD1-CB 3.86Å; L1364-L1421 HydrophobicContact CD2-CD1 4.41Å; F1388-L1421 HydrophobicContact CD1-CD1 3.83Å; F1388-L1421 HydrophobicContact CE1-CD1 3.88Å; T1390-L1421 HydrophobicContact CG2-CD2 4.04Å; Y1417-L1421 HydrophobicContact CE1-CD2 4.42Å; Y1417-L1421 WeakPolarHBondContact O-CB 3.43Å; Y1417-L1421 PolarHBondContact O-N 2.9Å; H1418-L1421 PolarHBondContact O-N 3.01Å; I1419-L1421 VanDerWaalsContact C-N 3.33Å; I1419-L1421 PolarHBondContact O-N 2.93Å; L1421-R1423 PolarHBondContact O-N 3.44Å; L1421-L1424 WeakPolarHBondContact O-CB 3.44Å; L1421-L1424 PolarHBondContact O-N 2.75Å; L1421-L1424 VanDerWaalsContact O-N 3.15Å; L1421-L1425 HydrophobicContact CG-CD1 4.5Å; L1421-L1425 WeakPolarHBondContact O-CG 3.35Å; L1421-L1425 PolarHBondContact O-N 3.15Å |
| 1422 | I | 81.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 178.4 | -56.8 | 158.4 | 0 | 0 | 0 | 109.8 | H1418 L1424 L1425 A1426 L1462 V1465 Y1466 F1469 | H1418-I1422 WeakPolarHBondContact O-CG1 3.47Å; H1418-I1422 PolarHBondContact O-N 2.78Å; I1422-L1424 VanDerWaalsContact C-N 3.34Å; I1422-L1424 PolarHBondContact O-N 2.81Å; I1422-L1425 PolarHBondContact O-N 3.33Å; I1422-A1426 WeakPolarHBondContact O-CB 3.46Å; I1422-A1426 PolarHBondContact O-N 3.46Å; I1422-L1462 HydrophobicContact CD1-CD1 4.39Å; I1422-V1465 HydrophobicContact CB-CG1 3.46Å; I1422-V1465 VanDerWaalsContact CB-CG1 3.46Å; I1422-V1465 HydrophobicContact CG2-CG1 3.47Å; I1422-V1465 VanDerWaalsContact CG2-CG1 3.47Å; I1422-Y1466 HydrophobicContact CD1-CD2 4.19Å; I1422-Y1466 HydrophobicContact CD1-CE1 4.14Å; I1422-Y1466 HydrophobicContact CD1-CE2 3.41Å; I1422-Y1466 VanDerWaalsContact CD1-CE2 3.41Å; I1422-Y1466 WeakPolarHBondContact CD1-OH 3.35Å; I1422-F1469 HydrophobicContact CG2-CB 4.22Å; I1422-F1469 HydrophobicContact CG2-CG 4.46Å |
| 1423 | R | 84.1 | Confident | 76.8 | Confident | 41 Ų | 41 | 25.4 Ų | 25.4 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.3 | -172.9 | -178.7 | -90.4 | 150.9 | -12 | 111.1 | I1419 E1420 L1421 A1426 L1427 E1464 V1465 | I1419-R1423 WeakPolarHBondContact O-CB 3.2Å; I1419-R1423 PolarHBondContact O-N 2.77Å; I1419-R1423 VanDerWaalsContact O-N 3.07Å; E1420-R1423 IonicContact OE1-NH1 3.75Å; E1420-R1423 PolarHBondContact OE1-NH1 3.17Å; E1420-R1423 WeakPolarHBondContact OE2-CD 3.25Å; E1420-R1423 IonicContact OE2-CZ 3.67Å; E1420-R1423 IonicContact OE2-NE 3.05Å; E1420-R1423 IonicContact OE2-NH1 2.78Å; E1420-R1423 PolarHBondContact OE2-NH1 2.91Å; L1421-R1423 PolarHBondContact O-N 3.44Å; R1423-A1426 PolarHBondContact O-N 3.03Å; R1423-L1427 HydrophobicContact CG-CD1 4.34Å; R1423-L1427 VanDerWaalsContact O-CG 3.28Å; R1423-L1427 WeakPolarHBondContact O-CG 3.38Å; R1423-L1427 PolarHBondContact O-N 2.89Å; R1423-E1464 IonicContact NH2-OE1 3.5Å; R1423-E1464 PolarHBondContact NH2-OE1 3.4Å; R1423-E1464 IonicContact NH2-OE2 3.48Å; R1423-V1465 HydrophobicContact CB-CG1 3.87Å; R1423-V1465 HydrophobicContact CB-CG2 3.96Å; R1423-V1465 HydrophobicContact CG-CG2 4.45Å |
| 1424 | L | 81.5 | Confident | 76.6 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 173.9 | -178.2 | 65.1 | 0 | 0 | 0 | 111.4 | L1364 L1367 Q1368 I1371 I1384 F1388 E1420 L1421 I1422 A1426 L1427 C1428 | L1364-L1424 HydrophobicContact CD2-CD2 4.09Å; L1367-L1424 HydrophobicContact CB-CD1 3.81Å; L1367-L1424 HydrophobicContact CB-CD2 3.84Å; L1367-L1424 HydrophobicContact CD1-CD2 3.86Å; Q1368-L1424 HydrophobicContact CB-CD1 4.49Å; Q1368-L1424 HydrophobicContact CG-CB 4.09Å; Q1368-L1424 HydrophobicContact CG-CD1 3.91Å; I1371-L1424 HydrophobicContact CD1-CD1 4.04Å; I1384-L1424 HydrophobicContact CG2-CD1 4.21Å; I1384-L1424 HydrophobicContact CG2-CD2 4.02Å; I1384-L1424 HydrophobicContact CG2-CG 4.25Å; F1388-L1424 HydrophobicContact CE2-CD2 4.18Å; F1388-L1424 HydrophobicContact CZ-CD2 4.38Å; E1420-L1424 WeakPolarHBondContact O-CB 3.32Å; E1420-L1424 PolarHBondContact O-N 3.43Å; L1421-L1424 WeakPolarHBondContact O-CB 3.44Å; L1421-L1424 PolarHBondContact O-N 2.75Å; L1421-L1424 VanDerWaalsContact O-N 3.15Å; I1422-L1424 VanDerWaalsContact C-N 3.34Å; I1422-L1424 PolarHBondContact O-N 2.81Å; L1424-A1426 VanDerWaalsContact C-N 3.33Å; L1424-A1426 PolarHBondContact O-N 2.96Å; L1424-L1427 WeakPolarHBondContact O-CB 3.35Å; L1424-L1427 PolarHBondContact O-N 3.3Å; L1424-L1427 VanDerWaalsContact O-N 3.15Å; L1424-C1428 PolarHBondContact O-N 2.87Å; L1424-C1428 PolarHBondContact O-SG 2.82Å; L1424-C1428 VanDerWaalsContact O-SG 3.36Å |
| 1425 | L | 80.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 177 | -67.6 | 172.9 | 0 | 0 | 0 | 111.8 | L1421 I1422 L1427 C1428 T1429 V1444 F1469 | L1421-L1425 HydrophobicContact CG-CD1 4.5Å; L1421-L1425 WeakPolarHBondContact O-CG 3.35Å; L1421-L1425 PolarHBondContact O-N 3.15Å; I1422-L1425 PolarHBondContact O-N 3.33Å; L1425-L1427 VanDerWaalsContact C-N 3.35Å; L1425-L1427 PolarHBondContact O-N 3.04Å; L1425-C1428 WeakPolarHBondContact O-CB 3.16Å; L1425-C1428 PolarHBondContact O-N 3.37Å; L1425-T1429 PolarHBondContact O-N 2.85Å; L1425-V1444 HydrophobicContact CD1-CG2 4.43Å; L1425-F1469 HydrophobicContact CB-CD2 4.12Å; L1425-F1469 HydrophobicContact CB-CE2 3.83Å |
| 1426 | A | 77.2 | Confident | 76.1 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1422 R1423 L1424 C1428 T1429 V1430 K1468 F1469 | I1422-A1426 WeakPolarHBondContact O-CB 3.46Å; I1422-A1426 PolarHBondContact O-N 3.46Å; R1423-A1426 PolarHBondContact O-N 3.03Å; L1424-A1426 VanDerWaalsContact C-N 3.33Å; L1424-A1426 PolarHBondContact O-N 2.96Å; A1426-C1428 VanDerWaalsContact C-N 3.32Å; A1426-C1428 PolarHBondContact O-N 2.83Å; A1426-T1429 PolarHBondContact O-N 3.11Å; A1426-T1429 VanDerWaalsContact O-N 3.13Å; A1426-T1429 PolarHBondContact O-OG1 3.43Å; A1426-V1430 WeakPolarHBondContact O-CG2 3.47Å; A1426-V1430 PolarHBondContact O-N 3.43Å; A1426-K1468 HydrophobicContact CB-CB 4.25Å; A1426-F1469 HydrophobicContact CB-CB 4.04Å; A1426-F1469 HydrophobicContact CB-CD2 4.08Å |
| 1427 | L | 78 | Confident | 75.9 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -34.4 | 176.2 | -72.5 | 168.2 | 0 | 0 | 0 | 112.9 | Q1368 I1371 E1373 Q1381 R1423 L1424 L1425 T1429 V1430 | Q1368-L1427 HydrophobicContact CB-CD1 3.95Å; Q1368-L1427 HydrophobicContact CG-CD1 3.92Å; I1371-L1427 HydrophobicContact CB-CB 4.42Å; I1371-L1427 HydrophobicContact CD1-CB 4.12Å; I1371-L1427 HydrophobicContact CG2-CB 4.16Å; E1373-L1427 HydrophobicContact CG-CD2 4.03Å; Q1381-L1427 PolarHBondContact NE2-O 3.3Å; R1423-L1427 HydrophobicContact CG-CD1 4.34Å; R1423-L1427 VanDerWaalsContact O-CG 3.28Å; R1423-L1427 WeakPolarHBondContact O-CG 3.38Å; R1423-L1427 PolarHBondContact O-N 2.89Å; L1424-L1427 WeakPolarHBondContact O-CB 3.35Å; L1424-L1427 PolarHBondContact O-N 3.3Å; L1424-L1427 VanDerWaalsContact O-N 3.15Å; L1425-L1427 VanDerWaalsContact C-N 3.35Å; L1425-L1427 PolarHBondContact O-N 3.04Å; L1427-T1429 PolarHBondContact O-N 3.02Å; L1427-V1430 HydrophobicContact CD2-CG2 4.34Å; L1427-V1430 PolarHBondContact O-N 3.02Å |
| 1428 | C | 75.7 | Confident | 75.6 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -31.2 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | Q1381 L1424 L1425 A1426 T1436 | Q1381-C1428 VanDerWaalsContact CD-O 3.31Å; Q1381-C1428 PolarHBondContact NE2-O 3.21Å; L1424-C1428 PolarHBondContact O-N 2.87Å; L1424-C1428 PolarHBondContact O-SG 2.82Å; L1424-C1428 VanDerWaalsContact O-SG 3.36Å; L1425-C1428 WeakPolarHBondContact O-CB 3.16Å; L1425-C1428 PolarHBondContact O-N 3.37Å; A1426-C1428 VanDerWaalsContact C-N 3.32Å; A1426-C1428 PolarHBondContact O-N 2.83Å; C1428-T1436 PolarHBondContact O-OG1 2.73Å; C1428-T1436 VanDerWaalsContact O-OG1 3.08Å |
| 1429 | T | 76.2 | Confident | 75.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -90.1 | -9.6 | -180 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | L1425 A1426 L1427 G1431 R1432 C1440 H1472 C1473 | L1425-T1429 PolarHBondContact O-N 2.85Å; A1426-T1429 PolarHBondContact O-N 3.11Å; A1426-T1429 VanDerWaalsContact O-N 3.13Å; A1426-T1429 PolarHBondContact O-OG1 3.43Å; L1427-T1429 PolarHBondContact O-N 3.02Å; T1429-G1431 PolarHBondContact O-N 3.25Å; T1429-R1432 PolarHBondContact O-N 3.35Å; T1429-C1440 HydrophobicContact CG2-CB 3.9Å; T1429-H1472 WeakPolarHBondContact OG1-CB 3.44Å; T1429-C1473 HydrophobicContact CG2-CB 3.97Å |
| 1430 | V | 74.7 | Confident | 75 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 131.2 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | P1376 Q1381 A1426 L1427 H1472 | P1376-V1430 HydrophobicContact CB-CG1 4.45Å; P1376-V1430 HydrophobicContact CG-CG1 4.08Å; P1376-V1430 WeakPolarHBondContact CG-O 3.3Å; Q1381-V1430 PolarHBondContact NE2-O 3.01Å; A1426-V1430 WeakPolarHBondContact O-CG2 3.47Å; A1426-V1430 PolarHBondContact O-N 3.43Å; L1427-V1430 HydrophobicContact CD2-CG2 4.34Å; L1427-V1430 PolarHBondContact O-N 3.02Å; V1430-H1472 HydrophobicContact CG2-CB 4.26Å; V1430-H1472 VanDerWaalsContact CG2-CD2 3.49Å; V1430-H1472 WeakPolarHBondContact CG2-CD2 3.31Å |
| 1431 | G | 67.9 | Low | 74.8 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 55% | 0.546 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 12.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1429 | T1429-G1431 PolarHBondContact O-N 3.25Š|
| 1432 | R | 68.8 | Low | 74.6 | Confident | 156 Ų | 156 | 38.7 Ų | 38.7 | 59% | 0.589 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 51 | 177.8 | -54.6 | 178.7 | 175.3 | 166.1 | 3.4 | 113.6 | T1429 V1434 D1476 | T1429-R1432 PolarHBondContact O-N 3.35Å; R1432-V1434 PolarHBondContact O-N 3.3Å; R1432-D1476 PolarHBondContact NE-O 3.32Å |
| 1433 | N | 70 | Confident | 74.2 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | trans | -86.8 | 96 | 176.8 | -170.1 | 8 | 0 | 0 | 0 | 112.2 | D1382 T1435 T1436 E1437 | D1382-N1433 PolarHBondContact OD1-ND2 3.24Å; N1433-T1435 VanDerWaalsContact C-N 3.27Å; N1433-T1435 PolarHBondContact O-N 3.39Å; N1433-T1435 PolarHBondContact OD1-OG1 3.25Å; N1433-T1436 WeakPolarHBondContact CB-OG1 3.33Å; N1433-T1436 WeakPolarHBondContact ND2-CG2 3.09Å; N1433-T1436 PolarHBondContact O-N 3.29Å; N1433-T1436 PolarHBondContact O-OG1 3.01Å; N1433-E1437 WeakPolarHBondContact O-CB 3.38Å; N1433-E1437 PolarHBondContact O-N 3.33Å | ||
| 1434 | V | 67.7 | Low | 74 | Confident | 75 Ų | 75 | 39.7 Ų | 39.7 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.2 | -31.6 | -174.1 | -174.7 | 0 | 0 | 0 | 0 | 113.4 | R1432 E1437 | R1432-V1434 PolarHBondContact O-N 3.3Å; V1434-E1437 WeakPolarHBondContact O-CB 3.34Å |
| 1435 | T | 68.2 | Low | 74 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68 | -46.8 | -179.9 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | D1382 N1433 E1437 | D1382-T1435 PolarHBondContact OD1-OG1 2.86Å; N1433-T1435 VanDerWaalsContact C-N 3.27Å; N1433-T1435 PolarHBondContact O-N 3.39Å; N1433-T1435 PolarHBondContact OD1-OG1 3.25Å; T1435-E1437 VanDerWaalsContact C-N 3.33Å |
| 1436 | T | 71.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.6 | -26.8 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 112 | Q1381 D1382 C1428 N1433 Q1439 C1440 | Q1381-T1436 HydrophobicContact CB-CG2 4.38Å; D1382-T1436 WeakPolarHBondContact OD1-CG2 3.43Å; C1428-T1436 PolarHBondContact O-OG1 2.73Å; C1428-T1436 VanDerWaalsContact O-OG1 3.08Å; N1433-T1436 WeakPolarHBondContact CB-OG1 3.33Å; N1433-T1436 WeakPolarHBondContact ND2-CG2 3.09Å; N1433-T1436 PolarHBondContact O-N 3.29Å; N1433-T1436 PolarHBondContact O-OG1 3.01Å; T1436-Q1439 PolarHBondContact O-N 3.3Å; T1436-C1440 WeakPolarHBondContact O-CB 3.3Å; T1436-C1440 PolarHBondContact O-N 3.01Å; T1436-C1440 PolarHBondContact O-SG 2.85Å |
| 1437 | E | 71.5 | Confident | 74 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -59.1 | 179.5 | 178.9 | -159.6 | 133.2 | 0 | 0 | 111.6 | N1433 V1434 T1435 Q1439 C1440 A1441 T1477 A1479 | N1433-E1437 WeakPolarHBondContact O-CB 3.38Å; N1433-E1437 PolarHBondContact O-N 3.33Å; V1434-E1437 WeakPolarHBondContact O-CB 3.34Å; T1435-E1437 VanDerWaalsContact C-N 3.33Å; E1437-Q1439 PolarHBondContact O-N 3.45Å; E1437-C1440 PolarHBondContact O-N 2.95Å; E1437-A1441 WeakPolarHBondContact O-CB 3.44Å; E1437-A1441 PolarHBondContact O-N 3.46Å; E1437-T1477 HydrophobicContact CG-CG2 4.09Å; E1437-T1477 WeakPolarHBondContact OE2-CB 3.37Å; E1437-T1477 VanDerWaalsContact OE2-CG2 3.3Å; E1437-T1477 WeakPolarHBondContact OE2-CG2 3.49Å; E1437-A1479 HydrophobicContact CG-CB 4.5Å; E1437-A1479 WeakPolarHBondContact OE1-CB 3.48Å |
| 1438 | L | 71.6 | Confident | 74.2 | Confident | 123 Ų | 123 | 49.1 Ų | 49.1 | 64% | 0.644 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -56.2 | -38.8 | -179.6 | -85.6 | 155.2 | 0 | 0 | 0 | 112.2 | S1442 | L1438-S1442 WeakPolarHBondContact O-CB 2.96Å; L1438-S1442 PolarHBondContact O-N 3.21Å |
| 1439 | Q | 72.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 49 Ų | 49 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -53 | 177.3 | -65.5 | -171.9 | -29.5 | 0 | 0 | 111.2 | S1385 T1436 E1437 A1441 S1442 H1443 | S1385-Q1439 PolarHBondContact OG-OE1 3.23Å; T1436-Q1439 PolarHBondContact O-N 3.3Å; E1437-Q1439 PolarHBondContact O-N 3.45Å; Q1439-A1441 PolarHBondContact O-N 3.28Å; Q1439-S1442 PolarHBondContact O-N 2.94Å; Q1439-S1442 PolarHBondContact O-OG 2.95Å; Q1439-H1443 PolarHBondContact O-CD2 2.96Å; Q1439-H1443 PolarHBondContact O-N 3.44Å |
| 1440 | C | 74.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | -178.4 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | T1429 T1436 E1437 S1442 H1443 V1444 F1469 | T1429-C1440 HydrophobicContact CG2-CB 3.9Å; T1436-C1440 WeakPolarHBondContact O-CB 3.3Å; T1436-C1440 PolarHBondContact O-N 3.01Å; T1436-C1440 PolarHBondContact O-SG 2.85Å; E1437-C1440 PolarHBondContact O-N 2.95Å; C1440-S1442 VanDerWaalsContact C-N 3.3Å; C1440-S1442 PolarHBondContact O-N 3.43Å; C1440-H1443 PolarHBondContact O-N 3.4Å; C1440-H1443 VanDerWaalsContact O-N 3.12Å; C1440-V1444 PolarHBondContact O-N 3.35Å; C1440-V1444 VanDerWaalsContact O-N 3.09Å; C1440-F1469 HydrophobicContact CB-CE2 3.91Å; C1440-F1469 HydrophobicContact CB-CZ 3.9Å |
| 1441 | A | 75.7 | Confident | 75.2 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1437 Q1439 H1443 V1444 | E1437-A1441 WeakPolarHBondContact O-CB 3.44Å; E1437-A1441 PolarHBondContact O-N 3.46Å; Q1439-A1441 PolarHBondContact O-N 3.28Å; A1441-H1443 PolarHBondContact O-N 3.31Å; A1441-V1444 CarbonylContact O-C 3.56Å; A1441-V1444 VanDerWaalsContact O-C 3.3Å; A1441-V1444 PolarHBondContact O-N 3.01Å |
| 1442 | S | 76.5 | Confident | 75.9 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.4 | -27.8 | 175.2 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | L1438 Q1439 C1440 | L1438-S1442 WeakPolarHBondContact O-CB 2.96Å; L1438-S1442 PolarHBondContact O-N 3.21Å; Q1439-S1442 PolarHBondContact O-N 2.94Å; Q1439-S1442 PolarHBondContact O-OG 2.95Å; C1440-S1442 VanDerWaalsContact C-N 3.3Å; C1440-S1442 PolarHBondContact O-N 3.43Å |
| 1443 | H | 74.6 | Confident | 76.6 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83 | -33.3 | 177.9 | -71.3 | -61.4 | 0 | 0 | 0 | 113 | T1390 Q1439 C1440 A1441 | T1390-H1443 PolarHBondContact OG1-CE1 2.89Å; T1390-H1443 PolarHBondContact OG1-ND1 3.19Å; Q1439-H1443 PolarHBondContact O-CD2 2.96Å; Q1439-H1443 PolarHBondContact O-N 3.44Å; C1440-H1443 PolarHBondContact O-N 3.4Å; C1440-H1443 VanDerWaalsContact O-N 3.12Å; A1441-H1443 PolarHBondContact O-N 3.31Å |
| 1444 | V | 78.9 | Confident | 77.2 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -128.5 | 83.5 | -179.5 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | L1425 C1440 A1441 I1449 Y1466 F1469 Y1474 | L1425-V1444 HydrophobicContact CD1-CG2 4.43Å; C1440-V1444 PolarHBondContact O-N 3.35Å; C1440-V1444 VanDerWaalsContact O-N 3.09Å; A1441-V1444 CarbonylContact O-C 3.56Å; A1441-V1444 VanDerWaalsContact O-C 3.3Å; A1441-V1444 PolarHBondContact O-N 3.01Å; V1444-I1449 HydrophobicContact CG1-CD1 4.1Å; V1444-I1449 HydrophobicContact CG1-CG1 3.67Å; V1444-Y1466 HydrophobicContact CG1-CD1 4.39Å; V1444-Y1466 HydrophobicContact CG1-CE1 3.81Å; V1444-F1469 HydrophobicContact CB-CD1 4.33Å; V1444-F1469 HydrophobicContact CB-CE1 3.69Å; V1444-F1469 HydrophobicContact CB-CZ 3.99Å; V1444-F1469 HydrophobicContact CG1-CD1 4.26Å; V1444-F1469 HydrophobicContact CG1-CE1 4.08Å; V1444-F1469 HydrophobicContact CG2-CE1 4.48Å; V1444-F1469 HydrophobicContact CG2-CZ 4.4Å; V1444-Y1474 PolarHBondContact O-OH 2.91Å |
| 1445 | P | 81.6 | Confident | 77.9 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 31% | 0.305 | 23% | 0.234 | S | C | . | . | trans | -67.9 | 150.6 | -179.4 | 26.2 | -32.4 | 0 | 0 | 0 | 111.5 | E1447 H1448 I1449 Y1474 | P1445-E1447 VanDerWaalsContact C-N 3.29Å; P1445-E1447 HydrophobicContact CB-CG 4.23Å; P1445-E1447 HydrophobicContact CG-CG 4.34Å; P1445-E1447 PolarHBondContact O-N 2.88Å; P1445-H1448 HydrophobicContact CG-CB 4.1Å; P1445-H1448 WeakPolarHBondContact O-CB 3.45Å; P1445-H1448 PolarHBondContact O-N 3.33Å; P1445-I1449 PolarHBondContact O-N 2.91Å; P1445-Y1474 WeakPolarHBondContact CA-OH 3.48Å | ||
| 1446 | L | 78.7 | Confident | 78.2 | Confident | 20 Ų | 20 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.6 | -43.4 | -176 | -179 | 74.9 | 0 | 0 | 0 | 113.3 | H1448 I1449 V1450 L1470 Y1474 M1484 C1489 | L1446-H1448 PolarHBondContact O-N 3.27Å; L1446-I1449 WeakPolarHBondContact O-CB 3.5Å; L1446-I1449 PolarHBondContact O-N 2.96Å; L1446-I1449 VanDerWaalsContact O-N 3.12Å; L1446-V1450 WeakPolarHBondContact O-CG2 3.45Å; L1446-V1450 PolarHBondContact O-N 3.13Å; L1446-V1450 VanDerWaalsContact O-N 3.11Å; L1446-L1470 HydrophobicContact CD1-CD1 3.67Å; L1446-Y1474 HydrophobicContact CB-CE1 4.21Å; L1446-Y1474 PolarHBondContact N-OH 3.24Å; L1446-Y1474 VanDerWaalsContact N-OH 3.16Å; L1446-M1484 HydrophobicContact CD1-CE 4.21Å; L1446-M1484 HydrophobicContact CD1-CG 3.9Å; L1446-M1484 HydrophobicContact CD1-SD 4.06Å; L1446-M1484 HydrophobicContact CD2-CB 4.3Å; L1446-M1484 HydrophobicContact CD2-CG 3.32Å; L1446-M1484 HydrophobicContact CD2-SD 4.49Å; L1446-M1484 HydrophobicContact CG-CG 4.24Å; L1446-C1489 HydrophobicContact CD2-CB 4.32Å |
| 1447 | E | 79.8 | Confident | 78.4 | Confident | 133 Ų | 133 | 47.8 Ų | 47.8 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -56.2 | -37.5 | 178.5 | 63.9 | -167.3 | 171.8 | 0 | 0 | 112.6 | P1445 H1451 | P1445-E1447 VanDerWaalsContact C-N 3.29Å; P1445-E1447 HydrophobicContact CB-CG 4.23Å; P1445-E1447 HydrophobicContact CG-CG 4.34Å; P1445-E1447 PolarHBondContact O-N 2.88Å; E1447-H1451 PolarHBondContact O-N 3.06Å; E1447-H1451 PolarHBondContact O-ND1 3.2Å |
| 1448 | H | 82.5 | Confident | 78.9 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 178.1 | -179.7 | -141 | 0 | 0 | 0 | 111.1 | F1395 P1445 L1446 V1450 H1451 V1452 | F1395-H1448 AromaticContact CD2-CD2 3.59Å; F1395-H1448 AromaticContact CD2-NE2 3.76Å; P1445-H1448 HydrophobicContact CG-CB 4.1Å; P1445-H1448 WeakPolarHBondContact O-CB 3.45Å; P1445-H1448 PolarHBondContact O-N 3.33Å; L1446-H1448 PolarHBondContact O-N 3.27Å; H1448-V1450 VanDerWaalsContact C-N 3.33Å; H1448-V1450 PolarHBondContact O-N 3.07Å; H1448-H1451 PolarHBondContact O-N 3.3Å; H1448-V1452 WeakPolarHBondContact O-CG2 3.37Å; H1448-V1452 PolarHBondContact O-N 3.25Å |
| 1449 | I | 81.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 177 | -57.7 | 177.7 | 0 | 0 | 0 | 110.5 | V1444 P1445 L1446 H1451 V1452 I1453 Y1466 F1469 Y1474 | V1444-I1449 HydrophobicContact CG1-CD1 4.1Å; V1444-I1449 HydrophobicContact CG1-CG1 3.67Å; P1445-I1449 PolarHBondContact O-N 2.91Å; L1446-I1449 WeakPolarHBondContact O-CB 3.5Å; L1446-I1449 PolarHBondContact O-N 2.96Å; L1446-I1449 VanDerWaalsContact O-N 3.12Å; I1449-H1451 PolarHBondContact O-N 3.05Å; I1449-V1452 PolarHBondContact O-N 3.07Å; I1449-I1453 HydrophobicContact CG2-CD1 3.6Å; I1449-I1453 HydrophobicContact CG2-CG1 4.38Å; I1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; I1449-I1453 PolarHBondContact O-N 3.04Å; I1449-Y1466 HydrophobicContact CB-CD1 4.33Å; I1449-Y1466 HydrophobicContact CG1-CD1 4.01Å; I1449-Y1466 HydrophobicContact CG1-CE1 4.35Å; I1449-Y1466 HydrophobicContact CG2-CD1 4.12Å; I1449-F1469 HydrophobicContact CD1-CD1 3.75Å; I1449-F1469 HydrophobicContact CD1-CE1 4.17Å; I1449-Y1474 HydrophobicContact CD1-CD2 4.21Å; I1449-Y1474 HydrophobicContact CD1-CE2 3.66Å |
| 1450 | V | 82.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | L1446 H1448 S1454 C1489 R1492 V1493 | L1446-V1450 WeakPolarHBondContact O-CG2 3.45Å; L1446-V1450 PolarHBondContact O-N 3.13Å; L1446-V1450 VanDerWaalsContact O-N 3.11Å; H1448-V1450 VanDerWaalsContact C-N 3.33Å; H1448-V1450 PolarHBondContact O-N 3.07Å; V1450-S1454 WeakPolarHBondContact O-CB 3.45Å; V1450-S1454 PolarHBondContact O-N 2.74Å; V1450-S1454 PolarHBondContact O-OG 3.19Å; V1450-C1489 HydrophobicContact CG2-CB 3.94Å; V1450-R1492 HydrophobicContact CG1-CB 4.11Å; V1450-V1493 HydrophobicContact CG2-CG2 4.03Å |
| 1451 | H | 82.9 | Confident | 80.1 | Confident | 103 Ų | 103 | 44.8 Ų | 44.8 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 178 | -81.6 | 80.7 | 0 | 0 | 0 | 112.8 | F1395 E1447 H1448 I1449 N1455 | F1395-H1451 HydrophobicContact CD2-CB 4.17Å; F1395-H1451 HydrophobicContact CE1-CB 4.42Å; F1395-H1451 HydrophobicContact CE2-CB 3.65Å; F1395-H1451 HydrophobicContact CZ-CB 3.79Å; E1447-H1451 PolarHBondContact O-N 3.06Å; E1447-H1451 PolarHBondContact O-ND1 3.2Å; H1448-H1451 PolarHBondContact O-N 3.3Å; I1449-H1451 PolarHBondContact O-N 3.05Å; H1451-N1455 PolarHBondContact O-N 3.5Å |
| 1452 | V | 82.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -49 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | F1395 L1398 H1448 I1449 S1454 N1455 C1458 L1462 Y1466 | F1395-V1452 HydrophobicContact CD2-CG2 3.66Å; F1395-V1452 HydrophobicContact CE2-CB 4.43Å; F1395-V1452 HydrophobicContact CE2-CG2 3.64Å; L1398-V1452 HydrophobicContact CD2-CG1 4.08Å; L1398-V1452 HydrophobicContact CD2-CG2 3.69Å; H1448-V1452 WeakPolarHBondContact O-CG2 3.37Å; H1448-V1452 PolarHBondContact O-N 3.25Å; I1449-V1452 PolarHBondContact O-N 3.07Å; V1452-S1454 VanDerWaalsContact C-N 3.29Å; V1452-S1454 PolarHBondContact O-N 3.13Å; V1452-N1455 WeakPolarHBondContact O-CB 3.35Å; V1452-N1455 PolarHBondContact O-N 3.46Å; V1452-C1458 WeakPolarHBondContact O-CB 3.49Å; V1452-L1462 HydrophobicContact CG1-CD2 3.85Å; V1452-L1462 HydrophobicContact CG1-CG 4.43Å; V1452-Y1466 HydrophobicContact CB-CE2 4.35Å; V1452-Y1466 HydrophobicContact CG1-CD2 4.02Å; V1452-Y1466 HydrophobicContact CG1-CE2 3.68Å |
| 1453 | I | 83.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | -179.3 | -66.5 | 173 | 0 | 0 | 0 | 111.2 | I1449 N1455 K1463 I1467 N1496 | I1449-I1453 HydrophobicContact CG2-CD1 3.6Å; I1449-I1453 HydrophobicContact CG2-CG1 4.38Å; I1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; I1449-I1453 PolarHBondContact O-N 3.04Å; I1453-N1455 VanDerWaalsContact C-N 3.29Å; I1453-N1455 PolarHBondContact O-N 3.05Å; I1453-K1463 WeakPolarHBondContact O-CE 3.43Å; I1453-I1467 HydrophobicContact CD1-CD1 4.15Å; I1453-I1467 HydrophobicContact CD1-CG1 3.98Å; I1453-N1496 HydrophobicContact CG2-CB 4.33Å; I1453-N1496 WeakPolarHBondContact CG2-OD1 3.43Å; I1453-N1496 PolarHBondContact O-ND2 2.81Å; I1453-N1496 PolarHBondContact O-OD1 2.7Å |
| 1454 | S | 81.9 | Confident | 81.6 | Confident | 49 Ų | 49 | 37.4 Ų | 37.4 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -76.2 | -13.5 | -177.5 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | V1450 V1452 | V1450-S1454 WeakPolarHBondContact O-CB 3.45Å; V1450-S1454 PolarHBondContact O-N 2.74Å; V1450-S1454 PolarHBondContact O-OG 3.19Å; V1452-S1454 VanDerWaalsContact C-N 3.29Å; V1452-S1454 PolarHBondContact O-N 3.13Å |
| 1455 | N | 82.9 | Confident | 81.9 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | trans | -68.5 | 133.9 | 179.5 | -169.2 | -34.6 | 0 | 0 | 0 | 111 | H1451 V1452 I1453 N1457 C1458 | H1451-N1455 PolarHBondContact O-N 3.5Å; V1452-N1455 WeakPolarHBondContact O-CB 3.35Å; V1452-N1455 PolarHBondContact O-N 3.46Å; I1453-N1455 VanDerWaalsContact C-N 3.29Å; I1453-N1455 PolarHBondContact O-N 3.05Å; N1455-N1457 PolarHBondContact O-N 2.79Å; N1455-N1457 PolarHBondContact OD1-N 3.39Å; N1455-C1458 WeakPolarHBondContact O-CB 3.26Å; N1455-C1458 PolarHBondContact O-N 2.95Å | ||
| 1456 | S | 75.2 | Confident | 82.2 | Confident | 96 Ų | 96 | 35 Ų | 35 | 67% | 0.671 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.4 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | C1458 | S1456-C1458 VanDerWaalsContact C-N 3.34Š|
| 1457 | N | 74.6 | Confident | 82.6 | Confident | 80 Ų | 80 | 34 Ų | 34 | 43% | 0.428 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.8 | -175.9 | -61.8 | -7.1 | 0 | 0 | 0 | 112.9 | M1402 N1455 F1459 | M1402-N1457 HydrophobicContact CE-CB 4.43Å; M1402-N1457 WeakPolarHBondContact CE-O 3.43Å; N1455-N1457 PolarHBondContact O-N 2.79Å; N1455-N1457 PolarHBondContact OD1-N 3.39Å; N1457-F1459 PolarHBondContact O-N 2.8Å |
| 1458 | C | 82.5 | Confident | 82.9 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 10% | 0.101 | 16% | 0.155 | C | C | . | . | trans | -75.5 | 122.2 | -177.3 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | M1402 V1452 N1455 S1456 K1463 | M1402-C1458 HydrophobicContact CE-CB 3.89Å; V1452-C1458 WeakPolarHBondContact O-CB 3.49Å; N1455-C1458 WeakPolarHBondContact O-CB 3.26Å; N1455-C1458 PolarHBondContact O-N 2.95Å; S1456-C1458 VanDerWaalsContact C-N 3.34Å; C1458-K1463 HydrophobicContact CB-CG 4.37Å; C1458-K1463 VanDerWaalsContact SG-CG 3.5Å | ||
| 1459 | F | 81.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 27.5 Ų | 27.5 | 25% | 0.254 | 15% | 0.148 | S | C | . | . | trans | -65.1 | 146.4 | 173.1 | -62.5 | -79.4 | 0 | 0 | 0 | 112.4 | M1402 S1405 L1408 L1415 N1457 E1461 L1462 K1463 | M1402-F1459 HydrophobicContact CB-CE2 4.49Å; S1405-F1459 WeakPolarHBondContact O-CZ 3.47Å; L1408-F1459 HydrophobicContact CD1-CB 4.13Å; L1408-F1459 HydrophobicContact CD1-CD1 3.94Å; L1408-F1459 HydrophobicContact CD1-CG 3.97Å; L1415-F1459 HydrophobicContact CD2-CD2 3.65Å; L1415-F1459 HydrophobicContact CD2-CE2 3.64Å; N1457-F1459 PolarHBondContact O-N 2.8Å; F1459-E1461 VanDerWaalsContact C-N 3.31Å; F1459-E1461 PolarHBondContact O-N 3.05Å; F1459-L1462 HydrophobicContact CB-CB 4.45Å; F1459-L1462 WeakPolarHBondContact O-CB 3.33Å; F1459-L1462 PolarHBondContact O-N 3.1Å; F1459-L1462 VanDerWaalsContact O-N 3.13Å; F1459-K1463 PolarHBondContact O-N 3.04Å | ||
| 1460 | F | 81.3 | Confident | 83.4 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 20% | 0.197 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 179.7 | -67.8 | -69 | 0 | 0 | 0 | 112.9 | L1462 K1463 E1464 D1500 I1511 A1515 Y1518 | F1460-L1462 VanDerWaalsContact C-N 3.28Å; F1460-L1462 PolarHBondContact O-N 3.43Å; F1460-K1463 PolarHBondContact O-N 3.5Å; F1460-E1464 WeakPolarHBondContact O-CB 3.38Å; F1460-E1464 PolarHBondContact O-N 3.41Å; F1460-D1500 HydrophobicContact CE1-CB 4.38Å; F1460-I1511 HydrophobicContact CE2-CG2 4.16Å; F1460-A1515 HydrophobicContact CB-CB 4.17Å; F1460-A1515 HydrophobicContact CD1-CB 3.91Å; F1460-A1515 HydrophobicContact CD2-CB 3.8Å; F1460-A1515 HydrophobicContact CE1-CB 4.21Å; F1460-A1515 HydrophobicContact CE2-CB 4.1Å; F1460-A1515 HydrophobicContact CG-CB 3.69Å; F1460-A1515 HydrophobicContact CZ-CB 4.3Å; F1460-Y1518 AromaticContact CD1-CD1 3.91Å; F1460-Y1518 HydrophobicContact CD1-CD1 3.91Å; F1460-Y1518 HydrophobicContact CD1-CE1 4.3Å |
| 1461 | E | 80.9 | Confident | 83.5 | Confident | 50 Ų | 50 | 27.7 Ų | 27.7 | 23% | 0.234 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 174 | -66.4 | 78.1 | -177.9 | 0 | 0 | 111.5 | L1408 I1419 F1459 V1465 A1514 | L1408-E1461 HydrophobicContact CD1-CB 4.37Å; L1408-E1461 HydrophobicContact CD1-CG 4.22Å; I1419-E1461 HydrophobicContact CD1-CB 4.26Å; F1459-E1461 VanDerWaalsContact C-N 3.31Å; F1459-E1461 PolarHBondContact O-N 3.05Å; E1461-V1465 WeakPolarHBondContact O-CG2 3.29Å; E1461-A1514 VanDerWaalsContact CD-CB 3.48Å; E1461-A1514 HydrophobicContact CG-CB 3.75Å; E1461-A1514 WeakPolarHBondContact OE1-CB 3.47Å |
| 1462 | L | 85.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.5 | -44 | 176.2 | -165.9 | 69.3 | 0 | 0 | 0 | 110.4 | L1398 M1402 I1419 I1422 V1452 F1459 F1460 E1464 V1465 Y1466 | L1398-L1462 HydrophobicContact CD2-CD2 4.5Å; M1402-L1462 HydrophobicContact CG-CD2 4.24Å; M1402-L1462 HydrophobicContact SD-CD2 3.68Å; I1419-L1462 HydrophobicContact CD1-CD1 4.43Å; I1419-L1462 HydrophobicContact CG1-CB 4.35Å; I1419-L1462 HydrophobicContact CG1-CD1 3.51Å; I1422-L1462 HydrophobicContact CD1-CD1 4.39Å; V1452-L1462 HydrophobicContact CG1-CD2 3.85Å; V1452-L1462 HydrophobicContact CG1-CG 4.43Å; F1459-L1462 HydrophobicContact CB-CB 4.45Å; F1459-L1462 WeakPolarHBondContact O-CB 3.33Å; F1459-L1462 PolarHBondContact O-N 3.1Å; F1459-L1462 VanDerWaalsContact O-N 3.13Å; F1460-L1462 VanDerWaalsContact C-N 3.28Å; F1460-L1462 PolarHBondContact O-N 3.43Å; L1462-E1464 PolarHBondContact O-N 3.45Å; L1462-V1465 PolarHBondContact O-N 3.21Å; L1462-Y1466 HydrophobicContact CD1-CD2 4.15Å; L1462-Y1466 HydrophobicContact CD1-CE2 3.78Å; L1462-Y1466 HydrophobicContact CD2-CE2 4.3Å; L1462-Y1466 HydrophobicContact CG-CD2 3.88Å; L1462-Y1466 HydrophobicContact CG-CE2 3.79Å; L1462-Y1466 WeakPolarHBondContact O-CD2 3.18Å; L1462-Y1466 PolarHBondContact O-N 3.3Å |
| 1463 | K | 86.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.9 | -68.3 | -165.8 | -176.8 | -169.9 | 0 | 112.5 | I1453 C1458 F1459 F1460 V1465 Y1466 I1467 N1496 D1500 Y1518 | I1453-K1463 WeakPolarHBondContact O-CE 3.43Å; C1458-K1463 HydrophobicContact CB-CG 4.37Å; C1458-K1463 VanDerWaalsContact SG-CG 3.5Å; F1459-K1463 PolarHBondContact O-N 3.04Å; F1460-K1463 PolarHBondContact O-N 3.5Å; K1463-V1465 PolarHBondContact O-N 3.48Å; K1463-Y1466 PolarHBondContact O-N 3.29Å; K1463-I1467 VanDerWaalsContact O-CB 3.25Å; K1463-I1467 WeakPolarHBondContact O-CB 3.45Å; K1463-I1467 WeakPolarHBondContact O-CG1 3.45Å; K1463-I1467 PolarHBondContact O-N 3.22Å; K1463-N1496 PolarHBondContact NZ-OD1 3.36Å; K1463-D1500 VanDerWaalsContact CD-OD2 3.29Å; K1463-D1500 WeakPolarHBondContact CD-OD2 3.45Å; K1463-D1500 VanDerWaalsContact NZ-CG 3.29Å; K1463-D1500 IonicContact NZ-OD1 3.4Å; K1463-D1500 PolarHBondContact NZ-OD1 3.13Å; K1463-D1500 IonicContact NZ-OD2 3.71Å; K1463-D1500 PolarHBondContact NZ-OD2 3.3Å; K1463-Y1518 HydrophobicContact CB-CD2 4.38Å; K1463-Y1518 HydrophobicContact CB-CE1 4.25Å; K1463-Y1518 HydrophobicContact CB-CE2 4.13Å; K1463-Y1518 HydrophobicContact CD-CE1 4.18Å |
| 1464 | E | 86.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.2 | -46.7 | 177.2 | -171.3 | -160.6 | 141.9 | 0 | 0 | 111.1 | R1423 F1460 L1462 K1468 R1517 Y1518 | R1423-E1464 IonicContact NH2-OE1 3.5Å; R1423-E1464 PolarHBondContact NH2-OE1 3.4Å; R1423-E1464 IonicContact NH2-OE2 3.48Å; F1460-E1464 WeakPolarHBondContact O-CB 3.38Å; F1460-E1464 PolarHBondContact O-N 3.41Å; L1462-E1464 PolarHBondContact O-N 3.45Å; E1464-K1468 WeakPolarHBondContact O-CG 3.45Å; E1464-K1468 PolarHBondContact O-N 3.36Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.27Å; E1464-K1468 IonicContact OE1-NZ 2.74Å; E1464-K1468 PolarHBondContact OE1-NZ 3.31Å; E1464-R1517 IonicContact OE1-NH1 2.78Å; E1464-R1517 IonicContact OE2-CZ 2.99Å; E1464-R1517 IonicContact OE2-NH1 2.67Å; E1464-R1517 PolarHBondContact OE2-NH1 2.74Å; E1464-Y1518 HydrophobicContact CB-CD2 4.38Å |
| 1465 | V | 84.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.3 | -43 | -173.5 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | I1419 I1422 R1423 E1461 L1462 K1463 I1467 K1468 F1469 | I1419-V1465 HydrophobicContact CG2-CG2 3.92Å; I1422-V1465 HydrophobicContact CB-CG1 3.46Å; I1422-V1465 VanDerWaalsContact CB-CG1 3.46Å; I1422-V1465 HydrophobicContact CG2-CG1 3.47Å; I1422-V1465 VanDerWaalsContact CG2-CG1 3.47Å; R1423-V1465 HydrophobicContact CB-CG1 3.87Å; R1423-V1465 HydrophobicContact CB-CG2 3.96Å; R1423-V1465 HydrophobicContact CG-CG2 4.45Å; E1461-V1465 WeakPolarHBondContact O-CG2 3.29Å; L1462-V1465 PolarHBondContact O-N 3.21Å; K1463-V1465 PolarHBondContact O-N 3.48Å; V1465-I1467 VanDerWaalsContact C-N 3.31Å; V1465-I1467 PolarHBondContact O-N 3.49Å; V1465-K1468 PolarHBondContact O-N 3.29Å; V1465-F1469 PolarHBondContact O-N 3.08Å |
| 1466 | Y | 88 | Confident | 82.9 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.8 | -34.9 | 174.9 | -87.3 | -78.6 | 0 | 0 | 0 | 112.7 | L1398 I1422 V1444 I1449 V1452 L1462 K1463 F1469 L1470 | L1398-Y1466 HydrophobicContact CD2-CE2 4.44Å; L1398-Y1466 WeakPolarHBondContact CD2-OH 3.02Å; I1422-Y1466 HydrophobicContact CD1-CD2 4.19Å; I1422-Y1466 HydrophobicContact CD1-CE1 4.14Å; I1422-Y1466 HydrophobicContact CD1-CE2 3.41Å; I1422-Y1466 VanDerWaalsContact CD1-CE2 3.41Å; I1422-Y1466 WeakPolarHBondContact CD1-OH 3.35Å; V1444-Y1466 HydrophobicContact CG1-CD1 4.39Å; V1444-Y1466 HydrophobicContact CG1-CE1 3.81Å; I1449-Y1466 HydrophobicContact CB-CD1 4.33Å; I1449-Y1466 HydrophobicContact CG1-CD1 4.01Å; I1449-Y1466 HydrophobicContact CG1-CE1 4.35Å; I1449-Y1466 HydrophobicContact CG2-CD1 4.12Å; V1452-Y1466 HydrophobicContact CB-CE2 4.35Å; V1452-Y1466 HydrophobicContact CG1-CD2 4.02Å; V1452-Y1466 HydrophobicContact CG1-CE2 3.68Å; L1462-Y1466 HydrophobicContact CD1-CD2 4.15Å; L1462-Y1466 HydrophobicContact CD1-CE2 3.78Å; L1462-Y1466 HydrophobicContact CD2-CE2 4.3Å; L1462-Y1466 HydrophobicContact CG-CD2 3.88Å; L1462-Y1466 HydrophobicContact CG-CE2 3.79Å; L1462-Y1466 WeakPolarHBondContact O-CD2 3.18Å; L1462-Y1466 PolarHBondContact O-N 3.3Å; K1463-Y1466 PolarHBondContact O-N 3.29Å; Y1466-F1469 PolarHBondContact O-N 3.45Å; Y1466-L1470 WeakPolarHBondContact O-CB 3.47Å; Y1466-L1470 PolarHBondContact O-N 2.92Å |
| 1467 | I | 88.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 175.8 | -74.2 | -96.9 | 0 | 0 | 0 | 111.1 | I1453 K1463 V1465 F1469 L1470 L1471 V1493 I1497 Y1518 L1526 | I1453-I1467 HydrophobicContact CD1-CD1 4.15Å; I1453-I1467 HydrophobicContact CD1-CG1 3.98Å; K1463-I1467 VanDerWaalsContact O-CB 3.25Å; K1463-I1467 WeakPolarHBondContact O-CB 3.45Å; K1463-I1467 WeakPolarHBondContact O-CG1 3.45Å; K1463-I1467 PolarHBondContact O-N 3.22Å; V1465-I1467 VanDerWaalsContact C-N 3.31Å; V1465-I1467 PolarHBondContact O-N 3.49Å; I1467-F1469 VanDerWaalsContact C-N 3.33Å; I1467-L1470 PolarHBondContact O-N 3.28Å; I1467-L1471 VanDerWaalsContact O-CB 3.31Å; I1467-L1471 WeakPolarHBondContact O-CB 3.35Å; I1467-L1471 PolarHBondContact O-N 3.02Å; I1467-V1493 HydrophobicContact CD1-CG1 4.07Å; I1467-I1497 HydrophobicContact CD1-CD1 3.82Å; I1467-I1497 HydrophobicContact CD1-CG1 4.27Å; I1467-Y1518 HydrophobicContact CB-CE2 4.14Å; I1467-Y1518 HydrophobicContact CD1-CE2 4.26Å; I1467-Y1518 HydrophobicContact CG1-CE2 3.73Å; I1467-Y1518 HydrophobicContact CG2-CE2 4.29Å; I1467-L1526 HydrophobicContact CD1-CD1 4.28Å; I1467-L1526 HydrophobicContact CG2-CB 4.14Å; I1467-L1526 HydrophobicContact CG2-CD1 4.02Å |
| 1468 | K | 85.6 | Confident | 82.5 | Confident | 29 Ų | 29 | 19.6 Ų | 19.6 | 13% | 0.126 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 170.3 | -78.2 | 174.8 | 170.9 | 177.5 | 0 | 111.7 | A1426 E1464 V1465 L1471 H1472 S1522 | A1426-K1468 HydrophobicContact CB-CB 4.25Å; E1464-K1468 WeakPolarHBondContact O-CG 3.45Å; E1464-K1468 PolarHBondContact O-N 3.36Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.27Å; E1464-K1468 IonicContact OE1-NZ 2.74Å; E1464-K1468 PolarHBondContact OE1-NZ 3.31Å; V1465-K1468 PolarHBondContact O-N 3.29Å; K1468-L1471 PolarHBondContact O-N 3.42Å; K1468-H1472 WeakPolarHBondContact O-CB 3.48Å; K1468-H1472 PolarHBondContact O-CD2 2.94Å; K1468-H1472 PolarHBondContact O-N 2.95Å; K1468-S1522 VanDerWaalsContact CE-OG 3.28Å; K1468-S1522 WeakPolarHBondContact CE-OG 3.39Å |
| 1469 | F | 86.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 176.2 | -170.3 | -94 | 0 | 0 | 0 | 111.7 | I1422 L1425 A1426 C1440 V1444 I1449 V1465 Y1466 I1467 L1471 H1472 C1473 Y1474 | I1422-F1469 HydrophobicContact CG2-CB 4.22Å; I1422-F1469 HydrophobicContact CG2-CG 4.46Å; L1425-F1469 HydrophobicContact CB-CD2 4.12Å; L1425-F1469 HydrophobicContact CB-CE2 3.83Å; A1426-F1469 HydrophobicContact CB-CB 4.04Å; A1426-F1469 HydrophobicContact CB-CD2 4.08Å; C1440-F1469 HydrophobicContact CB-CE2 3.91Å; C1440-F1469 HydrophobicContact CB-CZ 3.9Å; V1444-F1469 HydrophobicContact CB-CD1 4.33Å; V1444-F1469 HydrophobicContact CB-CE1 3.69Å; V1444-F1469 HydrophobicContact CB-CZ 3.99Å; V1444-F1469 HydrophobicContact CG1-CD1 4.26Å; V1444-F1469 HydrophobicContact CG1-CE1 4.08Å; V1444-F1469 HydrophobicContact CG2-CE1 4.48Å; V1444-F1469 HydrophobicContact CG2-CZ 4.4Å; I1449-F1469 HydrophobicContact CD1-CD1 3.75Å; I1449-F1469 HydrophobicContact CD1-CE1 4.17Å; V1465-F1469 PolarHBondContact O-N 3.08Å; Y1466-F1469 PolarHBondContact O-N 3.45Å; I1467-F1469 VanDerWaalsContact C-N 3.33Å; F1469-L1471 VanDerWaalsContact C-N 3.32Å; F1469-L1471 PolarHBondContact O-N 3.48Å; F1469-H1472 PolarHBondContact O-N 3.38Å; F1469-C1473 HydrophobicContact CD1-CB 4.2Å; F1469-C1473 HydrophobicContact CD2-CB 4.46Å; F1469-C1473 HydrophobicContact CE1-CB 3.91Å; F1469-C1473 HydrophobicContact CE2-CB 4.16Å; F1469-C1473 HydrophobicContact CG-CB 4.47Å; F1469-C1473 HydrophobicContact CZ-CB 3.88Å; F1469-C1473 WeakPolarHBondContact O-CB 3.33Å; F1469-C1473 PolarHBondContact O-N 3Å; F1469-Y1474 HydrophobicContact CD1-CE2 4.36Å; F1469-Y1474 AromaticContact CE1-CE2 3.92Å; F1469-Y1474 HydrophobicContact CE1-CE2 3.92Å |
| 1470 | L | 87 | Confident | 80.9 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.1 | -176.5 | 64 | 0 | 0 | 0 | 111.7 | L1446 Y1466 I1467 Y1474 I1475 M1484 M1490 V1493 L1526 | L1446-L1470 HydrophobicContact CD1-CD1 3.67Å; Y1466-L1470 WeakPolarHBondContact O-CB 3.47Å; Y1466-L1470 PolarHBondContact O-N 2.92Å; I1467-L1470 PolarHBondContact O-N 3.28Å; L1470-Y1474 HydrophobicContact CD1-CD2 4.06Å; L1470-Y1474 HydrophobicContact CD1-CG 4.29Å; L1470-Y1474 PolarHBondContact O-N 3.42Å; L1470-I1475 HydrophobicContact CG-CD1 4.4Å; L1470-I1475 PolarHBondContact O-N 3.48Å; L1470-I1475 VanDerWaalsContact O-N 3.09Å; L1470-M1484 HydrophobicContact CD1-CE 4.01Å; L1470-M1490 HydrophobicContact CD2-SD 4.27Å; L1470-V1493 HydrophobicContact CD2-CG1 4.29Å; L1470-L1526 HydrophobicContact CB-CD1 4.12Å; L1470-L1526 HydrophobicContact CD2-CD1 3.83Å; L1470-L1526 HydrophobicContact CG-CD1 3.99Å |
| 1471 | L | 85.4 | Confident | 80 | Confident | 8 Ų | 8 | 19.2 Ų | 19.2 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -60.4 | -55.5 | 176.1 | 176 | 55.3 | 0 | 0 | 0 | 111.6 | I1467 K1468 F1469 I1475 D1476 K1525 L1526 A1529 | I1467-L1471 VanDerWaalsContact O-CB 3.31Å; I1467-L1471 WeakPolarHBondContact O-CB 3.35Å; I1467-L1471 PolarHBondContact O-N 3.02Å; K1468-L1471 PolarHBondContact O-N 3.42Å; F1469-L1471 VanDerWaalsContact C-N 3.32Å; F1469-L1471 PolarHBondContact O-N 3.48Å; L1471-I1475 HydrophobicContact CD1-CB 4.35Å; L1471-I1475 HydrophobicContact CD1-CG2 4.36Å; L1471-I1475 PolarHBondContact O-N 3.41Å; L1471-D1476 WeakPolarHBondContact O-CB 3.44Å; L1471-D1476 PolarHBondContact O-N 3.39Å; L1471-K1525 HydrophobicContact CD2-CB 3.87Å; L1471-L1526 HydrophobicContact CB-CD1 4.2Å; L1471-A1529 HydrophobicContact CD1-CB 3.42Å; L1471-A1529 VanDerWaalsContact CD1-CB 3.42Å |
| 1472 | H | 81.3 | Confident | 79.3 | Confident | 37 Ų | 37 | 24.8 Ų | 24.8 | 17% | 0.171 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -81.8 | -32.3 | -169.8 | -65.3 | -47.9 | 0 | 0 | 0 | 114.1 | T1429 V1430 K1468 F1469 D1476 | T1429-H1472 WeakPolarHBondContact OG1-CB 3.44Å; V1430-H1472 HydrophobicContact CG2-CB 4.26Å; V1430-H1472 VanDerWaalsContact CG2-CD2 3.49Å; V1430-H1472 WeakPolarHBondContact CG2-CD2 3.31Å; K1468-H1472 WeakPolarHBondContact O-CB 3.48Å; K1468-H1472 PolarHBondContact O-CD2 2.94Å; K1468-H1472 PolarHBondContact O-N 2.95Å; F1469-H1472 PolarHBondContact O-N 3.38Å; H1472-D1476 IonicContact CE1-OD2 3.71Å; H1472-D1476 IonicContact CG-OD2 3.51Å; H1472-D1476 IonicContact ND1-OD2 3.94Å; H1472-D1476 PolarHBondContact ND1-OD2 2.97Å |
| 1473 | C | 83.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -92.2 | -29.2 | -175.7 | -168.5 | 0 | 0 | 0 | 0 | 114.1 | T1429 F1469 T1477 | T1429-C1473 HydrophobicContact CG2-CB 3.97Å; F1469-C1473 HydrophobicContact CD1-CB 4.2Å; F1469-C1473 HydrophobicContact CD2-CB 4.46Å; F1469-C1473 HydrophobicContact CE1-CB 3.91Å; F1469-C1473 HydrophobicContact CE2-CB 4.16Å; F1469-C1473 HydrophobicContact CG-CB 4.47Å; F1469-C1473 HydrophobicContact CZ-CB 3.88Å; F1469-C1473 WeakPolarHBondContact O-CB 3.33Å; F1469-C1473 PolarHBondContact O-N 3Å; C1473-T1477 VanDerWaalsContact C-OG1 3.23Å; C1473-T1477 PolarHBondContact O-OG1 2.79Å |
| 1474 | Y | 83 | Confident | 77.1 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -114.3 | -47.9 | -177.4 | -68.3 | -88.3 | 0 | 0 | 0 | 112.7 | V1444 P1445 L1446 I1449 F1469 L1470 T1477 D1478 A1479 D1480 | V1444-Y1474 PolarHBondContact O-OH 2.91Å; P1445-Y1474 WeakPolarHBondContact CA-OH 3.48Å; L1446-Y1474 HydrophobicContact CB-CE1 4.21Å; L1446-Y1474 PolarHBondContact N-OH 3.24Å; L1446-Y1474 VanDerWaalsContact N-OH 3.16Å; I1449-Y1474 HydrophobicContact CD1-CD2 4.21Å; I1449-Y1474 HydrophobicContact CD1-CE2 3.66Å; F1469-Y1474 HydrophobicContact CD1-CE2 4.36Å; F1469-Y1474 AromaticContact CE1-CE2 3.92Å; F1469-Y1474 HydrophobicContact CE1-CE2 3.92Å; L1470-Y1474 HydrophobicContact CD1-CD2 4.06Å; L1470-Y1474 HydrophobicContact CD1-CG 4.29Å; L1470-Y1474 PolarHBondContact O-N 3.42Å; Y1474-T1477 PolarHBondContact O-OG1 3.05Å; Y1474-D1478 WeakPolarHBondContact O-CA 3.4Å; Y1474-D1478 PolarHBondContact O-N 2.91Å; Y1474-D1478 VanDerWaalsContact O-N 3.09Å; Y1474-A1479 PolarHBondContact O-N 2.99Å; Y1474-D1480 HydrophobicContact CD1-CB 4.22Å; Y1474-D1480 HydrophobicContact CE1-CB 4.27Å |
| 1475 | I | 78.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -78.2 | -47 | -174.8 | -61.1 | 173.6 | 0 | 0 | 0 | 112 | L1470 L1471 T1477 L1526 A1529 F1530 K1533 | L1470-I1475 HydrophobicContact CG-CD1 4.4Å; L1470-I1475 PolarHBondContact O-N 3.48Å; L1470-I1475 VanDerWaalsContact O-N 3.09Å; L1471-I1475 HydrophobicContact CD1-CB 4.35Å; L1471-I1475 HydrophobicContact CD1-CG2 4.36Å; L1471-I1475 PolarHBondContact O-N 3.41Å; I1475-T1477 VanDerWaalsContact C-N 3.25Å; I1475-T1477 PolarHBondContact O-N 2.9Å; I1475-L1526 HydrophobicContact CD1-CD1 3.65Å; I1475-L1526 HydrophobicContact CD1-CD2 4.48Å; I1475-L1526 HydrophobicContact CD1-CG 3.71Å; I1475-A1529 HydrophobicContact CG2-CB 3.87Å; I1475-F1530 HydrophobicContact CD1-CB 4.32Å; I1475-F1530 HydrophobicContact CD1-CD2 4.44Å; I1475-K1533 WeakPolarHBondContact O-CE 3.34Å; I1475-K1533 PolarHBondContact O-NZ 3.08Å |
| 1476 | D | 75.5 | Confident | 75 | Confident | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30 | -177.6 | -79.6 | -20.9 | 0 | 0 | 0 | 112.1 | R1432 L1471 H1472 | R1432-D1476 PolarHBondContact NE-O 3.32Å; L1471-D1476 WeakPolarHBondContact O-CB 3.44Å; L1471-D1476 PolarHBondContact O-N 3.39Å; H1472-D1476 IonicContact CE1-OD2 3.71Å; H1472-D1476 IonicContact CG-OD2 3.51Å; H1472-D1476 IonicContact ND1-OD2 3.94Å; H1472-D1476 PolarHBondContact ND1-OD2 2.97Å |
| 1477 | T | 72.1 | Confident | 73.6 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -16.2 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | E1437 C1473 Y1474 I1475 A1479 | E1437-T1477 HydrophobicContact CG-CG2 4.09Å; E1437-T1477 WeakPolarHBondContact OE2-CB 3.37Å; E1437-T1477 VanDerWaalsContact OE2-CG2 3.3Å; E1437-T1477 WeakPolarHBondContact OE2-CG2 3.49Å; C1473-T1477 VanDerWaalsContact C-OG1 3.23Å; C1473-T1477 PolarHBondContact O-OG1 2.79Å; Y1474-T1477 PolarHBondContact O-OG1 3.05Å; I1475-T1477 VanDerWaalsContact C-N 3.25Å; I1475-T1477 PolarHBondContact O-N 2.9Å; T1477-A1479 PolarHBondContact O-N 3.04Å |
| 1478 | D | 70 | Confident | 72.8 | Confident | 88 Ų | 88 | 44.7 Ų | 44.7 | 47% | 0.471 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18.7 | -171.7 | -68 | -47.5 | 0 | 0 | 0 | 115.1 | Y1474 M1481 K1533 | Y1474-D1478 WeakPolarHBondContact O-CA 3.4Å; Y1474-D1478 PolarHBondContact O-N 2.91Å; Y1474-D1478 VanDerWaalsContact O-N 3.09Å; D1478-M1481 HydrophobicContact CB-CG 4.38Å; D1478-K1533 WeakPolarHBondContact OD1-CD 3.42Å; D1478-K1533 WeakPolarHBondContact OD1-CE 3.23Å; D1478-K1533 IonicContact OD1-NZ 3.99Å; D1478-K1533 PolarHBondContact OD1-NZ 2.85Å; D1478-K1533 IonicContact OD2-NZ 3.88Å; D1478-K1533 PolarHBondContact OD2-NZ 2.96Å |
| 1479 | A | 66.1 | Low | 72.4 | Confident | 15 Ų | 15 | 44 Ų | 44 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 135.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1437 Y1474 T1477 M1481 | E1437-A1479 HydrophobicContact CG-CB 4.5Å; E1437-A1479 WeakPolarHBondContact OE1-CB 3.48Å; Y1474-A1479 PolarHBondContact O-N 2.99Å; T1477-A1479 PolarHBondContact O-N 3.04Å; A1479-M1481 PolarHBondContact O-N 3.35Å |
| 1480 | D | 63.7 | Low | 72 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 16.5 | -179.6 | -59.6 | -24.6 | 0 | 0 | 0 | 116 | Y1474 K1482 D1483 M1484 | Y1474-D1480 HydrophobicContact CD1-CB 4.22Å; Y1474-D1480 HydrophobicContact CE1-CB 4.27Å; D1480-K1482 PolarHBondContact O-N 3.23Å; D1480-K1482 VanDerWaalsContact O-N 3.11Å; D1480-D1483 PolarHBondContact O-N 3.49Å; D1480-M1484 PolarHBondContact O-N 3.42Å; D1480-M1484 VanDerWaalsContact O-N 3.09Å |
| 1481 | M | 63.1 | Low | 71.6 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -33.5 | 178.8 | -76.9 | -69 | -78.8 | 0 | 0 | 111.4 | D1478 A1479 D1483 M1484 Y1485 F1530 K1533 | D1478-M1481 HydrophobicContact CB-CG 4.38Å; A1479-M1481 PolarHBondContact O-N 3.35Å; M1481-D1483 PolarHBondContact O-N 3.11Å; M1481-M1484 PolarHBondContact O-N 3.07Å; M1481-M1484 HydrophobicContact SD-CE 4.4Å; M1481-M1484 HydrophobicContact SD-SD 3.76Å; M1481-Y1485 HydrophobicContact CB-CE2 4.25Å; M1481-Y1485 HydrophobicContact CE-CE2 3.87Å; M1481-Y1485 WeakPolarHBondContact CE-OH 3.43Å; M1481-Y1485 WeakPolarHBondContact O-CD2 2.83Å; M1481-Y1485 VanDerWaalsContact O-CE2 3.26Å; M1481-Y1485 WeakPolarHBondContact O-CE2 3.31Å; M1481-Y1485 PolarHBondContact O-N 2.86Å; M1481-F1530 HydrophobicContact CE-CD2 4.46Å; M1481-F1530 HydrophobicContact CE-CE2 4.35Å; M1481-K1533 HydrophobicContact CE-CB 4.25Å; M1481-K1533 HydrophobicContact CE-CG 4.14Å |
| 1482 | K | 65.3 | Low | 71.5 | Confident | 166 Ų | 166 | 52 Ų | 52 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 175.6 | -74.8 | -175.8 | 178.8 | 176.7 | 0 | 113.3 | D1480 C1486 | D1480-K1482 PolarHBondContact O-N 3.23Å; D1480-K1482 VanDerWaalsContact O-N 3.11Å; K1482-C1486 PolarHBondContact O-N 3.18Å; K1482-C1486 PolarHBondContact O-SG 3.07Å |
| 1483 | D | 62.9 | Low | 71.6 | Confident | 90 Ų | 90 | 50.3 Ų | 50.3 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76 | -34.2 | -178.1 | -65.7 | -16.6 | 0 | 0 | 0 | 110.6 | D1480 M1481 Y1485 C1486 D1487 | D1480-D1483 PolarHBondContact O-N 3.49Å; M1481-D1483 PolarHBondContact O-N 3.11Å; D1483-Y1485 PolarHBondContact O-N 3.41Å; D1483-C1486 PolarHBondContact O-N 3.25Å; D1483-C1486 VanDerWaalsContact O-N 3.11Å; D1483-D1487 PolarHBondContact O-N 3.45Å; D1483-D1487 VanDerWaalsContact O-N 3.14Å |
| 1484 | M | 64.3 | Low | 71.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.1 | -34.5 | 173.6 | -72 | 179.9 | 67.5 | 0 | 0 | 113.8 | L1446 L1470 D1480 M1481 M1490 | L1446-M1484 HydrophobicContact CD1-CE 4.21Å; L1446-M1484 HydrophobicContact CD1-CG 3.9Å; L1446-M1484 HydrophobicContact CD1-SD 4.06Å; L1446-M1484 HydrophobicContact CD2-CB 4.3Å; L1446-M1484 HydrophobicContact CD2-CG 3.32Å; L1446-M1484 HydrophobicContact CD2-SD 4.49Å; L1446-M1484 HydrophobicContact CG-CG 4.24Å; L1470-M1484 HydrophobicContact CD1-CE 4.01Å; D1480-M1484 PolarHBondContact O-N 3.42Å; D1480-M1484 VanDerWaalsContact O-N 3.09Å; M1481-M1484 PolarHBondContact O-N 3.07Å; M1481-M1484 HydrophobicContact SD-CE 4.4Å; M1481-M1484 HydrophobicContact SD-SD 3.76Å; M1484-M1490 HydrophobicContact CB-CG 4.32Å; M1484-M1490 HydrophobicContact CE-CG 3.32Å; M1484-M1490 HydrophobicContact CE-SD 3.21Å; M1484-M1490 WeakPolarHBondContact CE-SD 3.41Å |
| 1485 | Y | 64.2 | Low | 71.7 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 11% | 0.114 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.7 | -28.8 | 177.1 | -63.5 | -72.3 | 0 | 0 | 0 | 112.9 | M1481 D1483 F1530 L1535 I1539 | M1481-Y1485 HydrophobicContact CB-CE2 4.25Å; M1481-Y1485 HydrophobicContact CE-CE2 3.87Å; M1481-Y1485 WeakPolarHBondContact CE-OH 3.43Å; M1481-Y1485 WeakPolarHBondContact O-CD2 2.83Å; M1481-Y1485 VanDerWaalsContact O-CE2 3.26Å; M1481-Y1485 WeakPolarHBondContact O-CE2 3.31Å; M1481-Y1485 PolarHBondContact O-N 2.86Å; D1483-Y1485 PolarHBondContact O-N 3.41Å; Y1485-F1530 HydrophobicContact CE1-CE2 4.01Å; Y1485-F1530 AromaticContact CE1-CZ 3.73Å; Y1485-F1530 HydrophobicContact CE1-CZ 3.73Å; Y1485-F1530 AromaticContact CZ-CE2 3.96Å; Y1485-F1530 WeakPolarHBondContact OH-CE2 3.19Å; Y1485-L1535 HydrophobicContact CD2-CB 4Å; Y1485-L1535 HydrophobicContact CD2-CD2 4.17Å; Y1485-L1535 HydrophobicContact CE1-CB 4.19Å; Y1485-L1535 WeakPolarHBondContact CE1-O 3.37Å; Y1485-L1535 HydrophobicContact CE2-CB 3.36Å; Y1485-L1535 HydrophobicContact CE2-CD1 4.47Å; Y1485-L1535 HydrophobicContact CE2-CD2 4.32Å; Y1485-L1535 HydrophobicContact CE2-CG 4.25Å; Y1485-L1535 VanDerWaalsContact CZ-CB 3.47Å; Y1485-I1539 HydrophobicContact CD1-CD1 4.18Å; Y1485-I1539 HydrophobicContact CD1-CG1 4.28Å; Y1485-I1539 HydrophobicContact CE1-CD1 4.13Å; Y1485-I1539 HydrophobicContact CE1-CG1 4.4Å |
| 1486 | C | 61.9 | Low | 72.2 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 69% | 0.689 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -73.8 | -36.6 | 179.9 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | K1482 D1483 | K1482-C1486 PolarHBondContact O-N 3.18Å; K1482-C1486 PolarHBondContact O-SG 3.07Å; D1483-C1486 PolarHBondContact O-N 3.25Å; D1483-C1486 VanDerWaalsContact O-N 3.11Å |
| 1487 | D | 57.5 | Low | 72.9 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -98.1 | 12.8 | -169.6 | -80.2 | -17.1 | 0 | 0 | 0 | 115.4 | D1483 C1489 | D1483-D1487 PolarHBondContact O-N 3.45Å; D1483-D1487 VanDerWaalsContact O-N 3.14Å; D1487-C1489 PolarHBondContact O-N 2.98Å |
| 1488 | D | 71.8 | Confident | 73.5 | Confident | 94 Ų | 94 | 54 Ų | 54 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 59.6 | 12.6 | -179 | -120.1 | -5.5 | 0 | 0 | 0 | 114 | M1490 V1491 R1492 | D1488-M1490 PolarHBondContact O-N 3.26Å; D1488-V1491 WeakPolarHBondContact O-CB 3.3Å; D1488-V1491 PolarHBondContact O-N 2.85Å; D1488-V1491 WeakPolarHBondContact OD1-CG2 3.29Å; D1488-R1492 PolarHBondContact O-N 3.24Å |
| 1489 | C | 77.4 | Confident | 74.3 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | -174.2 | -78.8 | 0 | 0 | 0 | 0 | 112.5 | L1446 V1450 D1487 V1491 R1492 V1493 | L1446-C1489 HydrophobicContact CD2-CB 4.32Å; V1450-C1489 HydrophobicContact CG2-CB 3.94Å; D1487-C1489 PolarHBondContact O-N 2.98Å; C1489-V1491 VanDerWaalsContact C-N 3.32Å; C1489-V1491 PolarHBondContact O-N 3.02Å; C1489-R1492 PolarHBondContact O-N 2.96Å; C1489-V1493 PolarHBondContact O-N 2.99Å |
| 1490 | M | 78.6 | Confident | 75.2 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -31.2 | 179 | -81.9 | -60 | -63.8 | 0 | 0 | 113.2 | L1470 M1484 D1488 R1492 V1493 L1494 F1530 I1539 | L1470-M1490 HydrophobicContact CD2-SD 4.27Å; M1484-M1490 HydrophobicContact CB-CG 4.32Å; M1484-M1490 HydrophobicContact CE-CG 3.32Å; M1484-M1490 HydrophobicContact CE-SD 3.21Å; M1484-M1490 WeakPolarHBondContact CE-SD 3.41Å; D1488-M1490 PolarHBondContact O-N 3.26Å; M1490-R1492 VanDerWaalsContact C-N 3.32Å; M1490-R1492 PolarHBondContact O-N 3.01Å; M1490-V1493 PolarHBondContact O-N 3.47Å; M1490-L1494 HydrophobicContact CE-CD1 4.45Å; M1490-L1494 HydrophobicContact CE-CG 4.26Å; M1490-L1494 WeakPolarHBondContact O-CB 3.42Å; M1490-L1494 VanDerWaalsContact O-CG 3.31Å; M1490-L1494 WeakPolarHBondContact O-CG 3.4Å; M1490-L1494 PolarHBondContact O-N 2.96Å; M1490-F1530 HydrophobicContact CB-CZ 4.3Å; M1490-F1530 HydrophobicContact CE-CD1 4.11Å; M1490-F1530 HydrophobicContact CE-CD2 3.57Å; M1490-F1530 HydrophobicContact CE-CE1 4.19Å; M1490-F1530 HydrophobicContact CE-CE2 3.67Å; M1490-F1530 HydrophobicContact CE-CG 3.8Å; M1490-F1530 HydrophobicContact CE-CZ 3.98Å; M1490-F1530 HydrophobicContact CG-CE2 3.92Å; M1490-F1530 HydrophobicContact CG-CZ 4.22Å; M1490-F1530 HydrophobicContact SD-CE2 4.39Å; M1490-I1539 HydrophobicContact CB-CD1 4.01Å |
| 1491 | V | 78.7 | Confident | 76.2 | Confident | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 110 | D1488 C1489 K1495 I1539 L1548 | D1488-V1491 WeakPolarHBondContact O-CB 3.3Å; D1488-V1491 PolarHBondContact O-N 2.85Å; D1488-V1491 WeakPolarHBondContact OD1-CG2 3.29Å; C1489-V1491 VanDerWaalsContact C-N 3.32Å; C1489-V1491 PolarHBondContact O-N 3.02Å; V1491-K1495 VanDerWaalsContact O-CB 3.28Å; V1491-K1495 WeakPolarHBondContact O-CB 3.22Å; V1491-K1495 PolarHBondContact O-N 3.42Å; V1491-I1539 HydrophobicContact CG2-CD1 4.44Å; V1491-I1539 HydrophobicContact CG2-CG2 4.45Å; V1491-L1548 HydrophobicContact CG1-CD2 4.27Å |
| 1492 | R | 82.8 | Confident | 77.2 | Confident | 147 Ų | 147 | 50.1 Ų | 50.1 | 56% | 0.555 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.3 | -45.2 | 174.4 | -70.5 | -177.1 | 179.3 | 168.5 | 2.7 | 112.8 | V1450 D1488 C1489 M1490 K1495 N1496 | V1450-R1492 HydrophobicContact CG1-CB 4.11Å; D1488-R1492 PolarHBondContact O-N 3.24Å; C1489-R1492 PolarHBondContact O-N 2.96Å; M1490-R1492 VanDerWaalsContact C-N 3.32Å; M1490-R1492 PolarHBondContact O-N 3.01Å; R1492-K1495 PolarHBondContact O-N 2.64Å; R1492-N1496 WeakPolarHBondContact O-CB 3.24Å; R1492-N1496 PolarHBondContact O-N 3.33Å |
| 1493 | V | 84.1 | Confident | 78 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 179.2 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V1450 I1467 L1470 C1489 M1490 K1495 N1496 I1497 | V1450-V1493 HydrophobicContact CG2-CG2 4.03Å; I1467-V1493 HydrophobicContact CD1-CG1 4.07Å; L1470-V1493 HydrophobicContact CD2-CG1 4.29Å; C1489-V1493 PolarHBondContact O-N 2.99Å; M1490-V1493 PolarHBondContact O-N 3.47Å; V1493-K1495 VanDerWaalsContact C-N 3.34Å; V1493-K1495 PolarHBondContact O-N 3.46Å; V1493-N1496 PolarHBondContact O-N 3.3Å; V1493-I1497 HydrophobicContact CG1-CD1 3.91Å; V1493-I1497 HydrophobicContact CG1-CG1 4.5Å; V1493-I1497 WeakPolarHBondContact O-CG1 3.43Å; V1493-I1497 PolarHBondContact O-N 3.01Å |
| 1494 | L | 84.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.4 | -72 | 173.3 | 0 | 0 | 0 | 111.9 | M1490 I1497 I1498 I1527 F1530 L1548 L1552 | M1490-L1494 HydrophobicContact CE-CD1 4.45Å; M1490-L1494 HydrophobicContact CE-CG 4.26Å; M1490-L1494 WeakPolarHBondContact O-CB 3.42Å; M1490-L1494 VanDerWaalsContact O-CG 3.31Å; M1490-L1494 WeakPolarHBondContact O-CG 3.4Å; M1490-L1494 PolarHBondContact O-N 2.96Å; L1494-I1497 HydrophobicContact CD2-CD1 4.43Å; L1494-I1497 PolarHBondContact O-N 2.81Å; L1494-I1498 VanDerWaalsContact O-CG1 3.27Å; L1494-I1498 WeakPolarHBondContact O-CG1 3.36Å; L1494-I1498 PolarHBondContact O-N 3.34Å; L1494-I1527 HydrophobicContact CD2-CG1 4.49Å; L1494-F1530 HydrophobicContact CD1-CE1 4.26Å; L1494-L1548 HydrophobicContact CB-CD2 3.95Å; L1494-L1548 HydrophobicContact CD1-CD2 4.06Å; L1494-L1552 HydrophobicContact CD2-CD2 4.24Å |
| 1495 | K | 84.1 | Confident | 79.4 | Confident | 124 Ų | 124 | 48 Ų | 48 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.9 | -173 | 176.7 | -179.4 | 177.3 | 0 | 111.7 | V1491 R1492 V1493 I1497 I1498 D1499 L1548 | V1491-K1495 VanDerWaalsContact O-CB 3.28Å; V1491-K1495 WeakPolarHBondContact O-CB 3.22Å; V1491-K1495 PolarHBondContact O-N 3.42Å; R1492-K1495 PolarHBondContact O-N 2.64Å; V1493-K1495 VanDerWaalsContact C-N 3.34Å; V1493-K1495 PolarHBondContact O-N 3.46Å; K1495-I1497 PolarHBondContact O-N 3.26Å; K1495-I1498 WeakPolarHBondContact O-CB 3.38Å; K1495-I1498 PolarHBondContact O-N 3.16Å; K1495-D1499 VanDerWaalsContact O-CG 3.3Å; K1495-D1499 PolarHBondContact O-N 2.98Å; K1495-L1548 HydrophobicContact CB-CD1 4.47Å |
| 1496 | N | 88.3 | Confident | 80 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 176.4 | -169.9 | -93 | 0 | 0 | 0 | 112.4 | I1453 K1463 R1492 V1493 I1498 D1499 D1500 | I1453-N1496 HydrophobicContact CG2-CB 4.33Å; I1453-N1496 WeakPolarHBondContact CG2-OD1 3.43Å; I1453-N1496 PolarHBondContact O-ND2 2.81Å; I1453-N1496 PolarHBondContact O-OD1 2.7Å; K1463-N1496 PolarHBondContact NZ-OD1 3.36Å; R1492-N1496 WeakPolarHBondContact O-CB 3.24Å; R1492-N1496 PolarHBondContact O-N 3.33Å; V1493-N1496 PolarHBondContact O-N 3.3Å; N1496-I1498 VanDerWaalsContact C-N 3.35Å; N1496-D1499 PolarHBondContact O-N 3.49Å; N1496-D1500 WeakPolarHBondContact O-CB 3.18Å; N1496-D1500 PolarHBondContact O-N 2.94Å |
| 1497 | I | 88.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 173 | -68.8 | 165.6 | 0 | 0 | 0 | 110.8 | I1467 V1493 L1494 K1495 D1500 I1501 Y1518 A1523 L1526 I1527 | I1467-I1497 HydrophobicContact CD1-CD1 3.82Å; I1467-I1497 HydrophobicContact CD1-CG1 4.27Å; V1493-I1497 HydrophobicContact CG1-CD1 3.91Å; V1493-I1497 HydrophobicContact CG1-CG1 4.5Å; V1493-I1497 WeakPolarHBondContact O-CG1 3.43Å; V1493-I1497 PolarHBondContact O-N 3.01Å; L1494-I1497 HydrophobicContact CD2-CD1 4.43Å; L1494-I1497 PolarHBondContact O-N 2.81Å; K1495-I1497 PolarHBondContact O-N 3.26Å; I1497-D1500 PolarHBondContact O-N 3.17Å; I1497-I1501 HydrophobicContact CG2-CD1 3.69Å; I1497-I1501 HydrophobicContact CG2-CG1 4.26Å; I1497-I1501 WeakPolarHBondContact O-CG1 3.3Å; I1497-I1501 PolarHBondContact O-N 3.5Å; I1497-Y1518 WeakPolarHBondContact CG1-OH 3.44Å; I1497-A1523 HydrophobicContact CG2-CB 4.22Å; I1497-L1526 HydrophobicContact CD1-CD2 4.12Å; I1497-I1527 HydrophobicContact CG2-CD1 4.31Å |
| 1498 | I | 86.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 175.5 | -67.8 | 164.8 | 0 | 0 | 0 | 110.2 | L1494 K1495 N1496 D1500 I1501 E1502 L1548 R1551 L1552 | L1494-I1498 VanDerWaalsContact O-CG1 3.27Å; L1494-I1498 WeakPolarHBondContact O-CG1 3.36Å; L1494-I1498 PolarHBondContact O-N 3.34Å; K1495-I1498 WeakPolarHBondContact O-CB 3.38Å; K1495-I1498 PolarHBondContact O-N 3.16Å; N1496-I1498 VanDerWaalsContact C-N 3.35Å; I1498-D1500 PolarHBondContact O-N 2.91Å; I1498-I1501 PolarHBondContact O-N 2.88Å; I1498-I1501 VanDerWaalsContact O-N 3.15Å; I1498-E1502 HydrophobicContact CG2-CG 4.3Å; I1498-E1502 WeakPolarHBondContact O-CB 3.27Å; I1498-E1502 WeakPolarHBondContact O-CG 3.5Å; I1498-E1502 PolarHBondContact O-N 3.28Å; I1498-L1548 HydrophobicContact CD1-CD1 3.73Å; I1498-L1548 HydrophobicContact CD1-CG 4.19Å; I1498-R1551 HydrophobicContact CD1-CB 4.34Å; I1498-L1552 HydrophobicContact CD1-CB 4.03Å; I1498-L1552 HydrophobicContact CD1-CD1 4.34Å; I1498-L1552 HydrophobicContact CG1-CB 4.17Å; I1498-L1552 HydrophobicContact CG1-CD1 3.65Å |
| 1499 | D | 85.7 | Confident | 80.1 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -38.1 | 178 | -65 | -19.9 | 0 | 0 | 0 | 111.1 | K1495 N1496 R1503 | K1495-D1499 VanDerWaalsContact O-CG 3.3Å; K1495-D1499 PolarHBondContact O-N 2.98Å; N1496-D1499 PolarHBondContact O-N 3.49Å; D1499-R1503 WeakPolarHBondContact O-CB 3.31Å; D1499-R1503 VanDerWaalsContact O-CG 3.22Å; D1499-R1503 WeakPolarHBondContact O-CG 3.26Å; D1499-R1503 PolarHBondContact O-N 3.29Å |
| 1500 | D | 86.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.3 | -36.6 | 176.7 | -75.5 | -14.3 | 0 | 0 | 0 | 113.4 | F1460 K1463 N1496 I1497 I1498 R1503 L1504 Y1518 I1519 | F1460-D1500 HydrophobicContact CE1-CB 4.38Å; K1463-D1500 VanDerWaalsContact CD-OD2 3.29Å; K1463-D1500 WeakPolarHBondContact CD-OD2 3.45Å; K1463-D1500 VanDerWaalsContact NZ-CG 3.29Å; K1463-D1500 IonicContact NZ-OD1 3.4Å; K1463-D1500 PolarHBondContact NZ-OD1 3.13Å; K1463-D1500 IonicContact NZ-OD2 3.71Å; K1463-D1500 PolarHBondContact NZ-OD2 3.3Å; N1496-D1500 WeakPolarHBondContact O-CB 3.18Å; N1496-D1500 PolarHBondContact O-N 2.94Å; I1497-D1500 PolarHBondContact O-N 3.17Å; I1498-D1500 PolarHBondContact O-N 2.91Å; D1500-R1503 PolarHBondContact O-N 3.47Å; D1500-R1503 IonicContact OD1-CZ 2.74Å; D1500-R1503 IonicContact OD1-NH1 3.57Å; D1500-R1503 PolarHBondContact OD1-NH1 3.36Å; D1500-L1504 WeakPolarHBondContact O-CB 3.39Å; D1500-L1504 PolarHBondContact O-N 2.95Å; D1500-Y1518 HydrophobicContact CB-CE1 4.27Å; D1500-I1519 HydrophobicContact CB-CD1 4.4Å; D1500-I1519 WeakPolarHBondContact O-CD1 3.44Å |
| 1501 | I | 84.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 172.2 | -69.8 | 164.8 | 0 | 0 | 0 | 109.9 | I1497 I1498 L1504 Y1505 I1519 L1552 L1556 L1559 | I1497-I1501 HydrophobicContact CG2-CD1 3.69Å; I1497-I1501 HydrophobicContact CG2-CG1 4.26Å; I1497-I1501 WeakPolarHBondContact O-CG1 3.3Å; I1497-I1501 PolarHBondContact O-N 3.5Å; I1498-I1501 PolarHBondContact O-N 2.88Å; I1498-I1501 VanDerWaalsContact O-N 3.15Å; I1501-L1504 PolarHBondContact O-N 3.42Å; I1501-Y1505 WeakPolarHBondContact O-CB 3.3Å; I1501-Y1505 PolarHBondContact O-N 2.96Å; I1501-I1519 HydrophobicContact CG1-CG2 3.8Å; I1501-L1552 HydrophobicContact CD1-CD1 4.19Å; I1501-L1556 HydrophobicContact CD1-CD2 3.87Å; I1501-L1556 HydrophobicContact CD1-CG 4.28Å; I1501-L1559 HydrophobicContact CG2-CB 4.34Å; I1501-L1559 HydrophobicContact CG2-CD1 4.38Å; I1501-L1559 HydrophobicContact CG2-CD2 4.5Å |
| 1502 | E | 84.6 | Confident | 77.5 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.4 | -72.1 | -178.6 | 172.5 | 0 | 0 | 110.7 | I1498 L1504 Y1505 E1506 | I1498-E1502 HydrophobicContact CG2-CG 4.3Å; I1498-E1502 WeakPolarHBondContact O-CB 3.27Å; I1498-E1502 WeakPolarHBondContact O-CG 3.5Å; I1498-E1502 PolarHBondContact O-N 3.28Å; E1502-L1504 PolarHBondContact O-N 3.37Å; E1502-Y1505 WeakPolarHBondContact O-CB 3.25Å; E1502-Y1505 PolarHBondContact O-N 3.06Å; E1502-E1506 WeakPolarHBondContact O-CB 3.45Å; E1502-E1506 WeakPolarHBondContact O-CG 3.44Å; E1502-E1506 PolarHBondContact O-N 2.62Å |
| 1503 | R | 80.9 | Confident | 76.9 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 171.5 | -76.1 | 170.5 | -171.7 | 165.2 | -3.3 | 113.1 | D1499 D1500 Y1505 E1506 C1507 I1511 | D1499-R1503 WeakPolarHBondContact O-CB 3.31Å; D1499-R1503 VanDerWaalsContact O-CG 3.22Å; D1499-R1503 WeakPolarHBondContact O-CG 3.26Å; D1499-R1503 PolarHBondContact O-N 3.29Å; D1500-R1503 PolarHBondContact O-N 3.47Å; D1500-R1503 IonicContact OD1-CZ 2.74Å; D1500-R1503 IonicContact OD1-NH1 3.57Å; D1500-R1503 PolarHBondContact OD1-NH1 3.36Å; R1503-Y1505 VanDerWaalsContact C-N 3.26Å; R1503-Y1505 PolarHBondContact O-N 3.43Å; R1503-E1506 PolarHBondContact O-N 2.79Å; R1503-C1507 WeakPolarHBondContact O-CB 3.44Å; R1503-C1507 PolarHBondContact O-N 3.18Å; R1503-C1507 PolarHBondContact O-SG 3.47Å; R1503-C1507 VanDerWaalsContact O-SG 3.4Å; R1503-I1511 WeakPolarHBondContact O-CD1 3.46Å |
| 1504 | L | 78.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.4 | -173.9 | 67.2 | 0 | 0 | 0 | 111.4 | D1500 I1501 E1502 G1508 I1511 A1515 I1519 L1559 W1564 | D1500-L1504 WeakPolarHBondContact O-CB 3.39Å; D1500-L1504 PolarHBondContact O-N 2.95Å; I1501-L1504 PolarHBondContact O-N 3.42Å; E1502-L1504 PolarHBondContact O-N 3.37Å; L1504-G1508 PolarHBondContact O-N 3.2Å; L1504-I1511 HydrophobicContact CB-CD1 4.45Å; L1504-I1511 HydrophobicContact CD1-CB 4.19Å; L1504-I1511 HydrophobicContact CD1-CD1 3.94Å; L1504-I1511 HydrophobicContact CD1-CG2 4.29Å; L1504-A1515 HydrophobicContact CD1-CB 4.5Å; L1504-I1519 HydrophobicContact CB-CD1 3.65Å; L1504-I1519 HydrophobicContact CD2-CB 4.14Å; L1504-I1519 HydrophobicContact CD2-CD1 3.58Å; L1504-I1519 HydrophobicContact CD2-CG1 4.44Å; L1504-I1519 HydrophobicContact CD2-CG2 4.11Å; L1504-I1519 HydrophobicContact CG-CD1 4.12Å; L1504-L1559 HydrophobicContact CB-CD1 4.31Å; L1504-L1559 HydrophobicContact CD2-CD1 3.87Å; L1504-L1559 HydrophobicContact CD2-CD2 4.2Å; L1504-L1559 HydrophobicContact CG-CD1 4.12Å; L1504-W1564 HydrophobicContact CD1-CH2 3.95Å; L1504-W1564 HydrophobicContact CD1-CZ2 4.44Å; L1504-W1564 HydrophobicContact CD2-CH2 4.46Å; L1504-W1564 HydrophobicContact CG-CH2 4.13Å; L1504-W1564 HydrophobicContact CG-CZ2 4.38Å |
| 1505 | Y | 77.8 | Confident | 76.1 | Confident | 108 Ų | 108 | 48.5 Ų | 48.5 | 42% | 0.424 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 175.2 | -178.7 | -97 | 0 | 0 | 0 | 112.3 | I1501 E1502 R1503 R1558 V1562 | I1501-Y1505 WeakPolarHBondContact O-CB 3.3Å; I1501-Y1505 PolarHBondContact O-N 2.96Å; E1502-Y1505 WeakPolarHBondContact O-CB 3.25Å; E1502-Y1505 PolarHBondContact O-N 3.06Å; R1503-Y1505 VanDerWaalsContact C-N 3.26Å; R1503-Y1505 PolarHBondContact O-N 3.43Å; Y1505-R1558 HydrophobicContact CD2-CB 4.23Å; Y1505-R1558 HydrophobicContact CE2-CB 4.07Å; Y1505-V1562 HydrophobicContact CD2-CG2 3.54Å; Y1505-V1562 HydrophobicContact CE2-CG2 3.66Å |
| 1506 | E | 77 | Confident | 75.7 | Confident | 152 Ų | 152 | 43.4 Ų | 43.4 | 71% | 0.71 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71.5 | -44.7 | -177.1 | -73.9 | 178.5 | 175.2 | 0 | 0 | 113.6 | E1502 R1503 | E1502-E1506 WeakPolarHBondContact O-CB 3.45Å; E1502-E1506 WeakPolarHBondContact O-CG 3.44Å; E1502-E1506 PolarHBondContact O-N 2.62Å; R1503-E1506 PolarHBondContact O-N 2.79Å |
| 1507 | C | 66.7 | Low | 75.2 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 45% | 0.446 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -83.3 | -14.8 | -175.4 | -60.3 | 0 | 0 | 0 | 0 | 113 | R1503 S1510 I1511 | R1503-C1507 WeakPolarHBondContact O-CB 3.44Å; R1503-C1507 PolarHBondContact O-N 3.18Å; R1503-C1507 PolarHBondContact O-SG 3.47Å; R1503-C1507 VanDerWaalsContact O-SG 3.4Å; C1507-S1510 WeakPolarHBondContact O-CB 3.34Å; C1507-S1510 PolarHBondContact O-OG 3.02Å; C1507-I1511 HydrophobicContact CB-CD1 3.43Å; C1507-I1511 VanDerWaalsContact CB-CD1 3.43Å; C1507-I1511 HydrophobicContact CB-CG1 3.7Å |
| 1508 | G | 66.8 | Low | 75.1 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | 63.1 | -154.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1504 S1510 I1511 | L1504-G1508 PolarHBondContact O-N 3.2Å; G1508-S1510 PolarHBondContact O-N 3.41Å; G1508-I1511 PolarHBondContact O-N 3.35Å |
| 1509 | P | 60.5 | Low | 75 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 53% | 0.532 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -69.3 | 2.8 | -175.6 | 29.1 | -34 | 0 | 0 | 0 | 114.2 | I1511 W1564 | P1509-I1511 PolarHBondContact O-N 3.01Å; P1509-W1564 HydrophobicContact CB-CD2 4.14Å; P1509-W1564 HydrophobicContact CB-CE3 4.16Å; P1509-W1564 HydrophobicContact CB-CG 4.42Å; P1509-W1564 HydrophobicContact CG-CD2 4.47Å; P1509-W1564 HydrophobicContact CG-CG 4.32Å |
| 1510 | S | 56.5 | Low | 74.9 | Confident | 108 Ų | 108 | 43.3 Ų | 43.3 | 76% | 0.755 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -66 | -19.5 | 172.9 | -28.5 | 0 | 0 | 0 | 0 | 112.9 | C1507 G1508 | C1507-S1510 WeakPolarHBondContact O-CB 3.34Å; C1507-S1510 PolarHBondContact O-OG 3.02Å; G1508-S1510 PolarHBondContact O-N 3.41Å |
| 1511 | I | 60.1 | Low | 74.7 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -81 | 149.4 | -179.4 | -66.7 | 166.5 | 0 | 0 | 0 | 110.6 | F1460 R1503 L1504 C1507 G1508 P1509 A1515 | F1460-I1511 HydrophobicContact CE2-CG2 4.16Å; R1503-I1511 WeakPolarHBondContact O-CD1 3.46Å; L1504-I1511 HydrophobicContact CB-CD1 4.45Å; L1504-I1511 HydrophobicContact CD1-CB 4.19Å; L1504-I1511 HydrophobicContact CD1-CD1 3.94Å; L1504-I1511 HydrophobicContact CD1-CG2 4.29Å; C1507-I1511 HydrophobicContact CB-CD1 3.43Å; C1507-I1511 VanDerWaalsContact CB-CD1 3.43Å; C1507-I1511 HydrophobicContact CB-CG1 3.7Å; G1508-I1511 PolarHBondContact O-N 3.35Å; P1509-I1511 PolarHBondContact O-N 3.01Å; I1511-A1515 HydrophobicContact CG2-CB 3.21Å |
| 1512 | S | 63.2 | Low | 74.7 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -55.7 | 144.2 | 177.6 | 76.6 | 0 | 0 | 0 | 0 | 112.8 | A1514 A1515 | S1512-A1514 PolarHBondContact O-N 3.38Å; S1512-A1515 PolarHBondContact O-N 3Å | ||
| 1513 | G | 69.5 | Low | 74.8 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.5 | -8.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1517 | G1513-R1517 PolarHBondContact O-N 3.42Å |
| 1514 | A | 73.3 | Confident | 75 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.9 | -40.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1461 S1512 E1516 R1517 Y1518 | E1461-A1514 VanDerWaalsContact CD-CB 3.48Å; E1461-A1514 HydrophobicContact CG-CB 3.75Å; E1461-A1514 WeakPolarHBondContact OE1-CB 3.47Å; S1512-A1514 PolarHBondContact O-N 3.38Å; A1514-E1516 VanDerWaalsContact C-N 3.3Å; A1514-E1516 PolarHBondContact O-N 3.47Å; A1514-R1517 PolarHBondContact O-N 2.91Å; A1514-Y1518 VanDerWaalsContact O-CB 3.29Å; A1514-Y1518 WeakPolarHBondContact O-CB 3.41Å; A1514-Y1518 PolarHBondContact O-N 3.39Å |
| 1515 | A | 78.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1460 L1504 I1511 S1512 Y1518 I1519 | F1460-A1515 HydrophobicContact CB-CB 4.17Å; F1460-A1515 HydrophobicContact CD1-CB 3.91Å; F1460-A1515 HydrophobicContact CD2-CB 3.8Å; F1460-A1515 HydrophobicContact CE1-CB 4.21Å; F1460-A1515 HydrophobicContact CE2-CB 4.1Å; F1460-A1515 HydrophobicContact CG-CB 3.69Å; F1460-A1515 HydrophobicContact CZ-CB 4.3Å; L1504-A1515 HydrophobicContact CD1-CB 4.5Å; I1511-A1515 HydrophobicContact CG2-CB 3.21Å; S1512-A1515 PolarHBondContact O-N 3Å; A1515-Y1518 PolarHBondContact O-N 3.46Å; A1515-I1519 WeakPolarHBondContact O-CB 3.46Å; A1515-I1519 WeakPolarHBondContact O-CG1 3.47Å; A1515-I1519 PolarHBondContact O-N 2.83Å |
| 1516 | E | 76.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.3 | -64.7 | -178.6 | -179.9 | 0 | 0 | 111.9 | A1514 C1520 W1564 Y1572 | A1514-E1516 VanDerWaalsContact C-N 3.3Å; A1514-E1516 PolarHBondContact O-N 3.47Å; E1516-C1520 WeakPolarHBondContact O-CB 3.36Å; E1516-C1520 PolarHBondContact O-N 2.76Å; E1516-C1520 PolarHBondContact O-SG 3.37Å; E1516-W1564 HydrophobicContact CG-CH2 4.43Å; E1516-W1564 HydrophobicContact CG-CZ3 4.21Å; E1516-W1564 VanDerWaalsContact OE1-CZ3 3.25Å; E1516-W1564 WeakPolarHBondContact OE1-CZ3 3.26Å; E1516-Y1572 HydrophobicContact CB-CE2 4.3Å |
| 1517 | R | 78.4 | Confident | 76.2 | Confident | 78 Ų | 78 | 29.9 Ų | 29.9 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 175.7 | -83.1 | -172.6 | -67.5 | 108.1 | 3.1 | 111.9 | E1464 G1513 A1514 M1521 S1522 Y1572 | E1464-R1517 IonicContact OE1-NH1 2.78Å; E1464-R1517 IonicContact OE2-CZ 2.99Å; E1464-R1517 IonicContact OE2-NH1 2.67Å; E1464-R1517 PolarHBondContact OE2-NH1 2.74Å; G1513-R1517 PolarHBondContact O-N 3.42Å; A1514-R1517 PolarHBondContact O-N 2.91Å; R1517-M1521 VanDerWaalsContact O-CB 3.24Å; R1517-M1521 WeakPolarHBondContact O-CB 3.43Å; R1517-M1521 PolarHBondContact O-N 2.69Å; R1517-S1522 PolarHBondContact O-N 3.02Å; R1517-Y1572 HydrophobicContact CG-CE1 4.02Å; R1517-Y1572 WeakPolarHBondContact CG-OH 3.44Å |
| 1518 | Y | 86.1 | Confident | 77 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -54.4 | -55.8 | 177.4 | 162.6 | -126.1 | 0 | 0 | 0 | 110.9 | F1460 K1463 E1464 I1467 I1497 D1500 A1514 A1515 S1522 A1523 | F1460-Y1518 AromaticContact CD1-CD1 3.91Å; F1460-Y1518 HydrophobicContact CD1-CD1 3.91Å; F1460-Y1518 HydrophobicContact CD1-CE1 4.3Å; K1463-Y1518 HydrophobicContact CB-CD2 4.38Å; K1463-Y1518 HydrophobicContact CB-CE1 4.25Å; K1463-Y1518 HydrophobicContact CB-CE2 4.13Å; K1463-Y1518 HydrophobicContact CD-CE1 4.18Å; E1464-Y1518 HydrophobicContact CB-CD2 4.38Å; I1467-Y1518 HydrophobicContact CB-CE2 4.14Å; I1467-Y1518 HydrophobicContact CD1-CE2 4.26Å; I1467-Y1518 HydrophobicContact CG1-CE2 3.73Å; I1467-Y1518 HydrophobicContact CG2-CE2 4.29Å; I1497-Y1518 WeakPolarHBondContact CG1-OH 3.44Å; D1500-Y1518 HydrophobicContact CB-CE1 4.27Å; A1514-Y1518 VanDerWaalsContact O-CB 3.29Å; A1514-Y1518 WeakPolarHBondContact O-CB 3.41Å; A1514-Y1518 PolarHBondContact O-N 3.39Å; A1515-Y1518 PolarHBondContact O-N 3.46Å; Y1518-S1522 CarbonylContact O-C 3.51Å; Y1518-S1522 WeakPolarHBondContact O-CA 3.4Å; Y1518-S1522 WeakPolarHBondContact O-CB 3.31Å; Y1518-S1522 PolarHBondContact O-N 3.32Å; Y1518-S1522 VanDerWaalsContact O-N 3.11Å; Y1518-A1523 HydrophobicContact CE2-CB 4.19Å; Y1518-A1523 PolarHBondContact O-N 2.9Å |
| 1519 | I | 84 | Confident | 77.6 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -72.3 | -53.7 | -174.8 | -69 | 165.8 | 0 | 0 | 0 | 111 | D1500 I1501 L1504 A1515 M1521 T1524 L1559 | D1500-I1519 HydrophobicContact CB-CD1 4.4Å; D1500-I1519 WeakPolarHBondContact O-CD1 3.44Å; I1501-I1519 HydrophobicContact CG1-CG2 3.8Å; L1504-I1519 HydrophobicContact CB-CD1 3.65Å; L1504-I1519 HydrophobicContact CD2-CB 4.14Å; L1504-I1519 HydrophobicContact CD2-CD1 3.58Å; L1504-I1519 HydrophobicContact CD2-CG1 4.44Å; L1504-I1519 HydrophobicContact CD2-CG2 4.11Å; L1504-I1519 HydrophobicContact CG-CD1 4.12Å; A1515-I1519 WeakPolarHBondContact O-CB 3.46Å; A1515-I1519 WeakPolarHBondContact O-CG1 3.47Å; A1515-I1519 PolarHBondContact O-N 2.83Å; I1519-M1521 VanDerWaalsContact C-N 3.33Å; I1519-M1521 PolarHBondContact O-N 3.27Å; I1519-T1524 PolarHBondContact O-N 3.31Å; I1519-L1559 HydrophobicContact CG2-CD2 3.8Å |
| 1520 | C | 82.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -75.6 | -19.7 | -170.2 | -64 | 0 | 0 | 0 | 0 | 113.9 | E1516 T1524 L1565 Y1572 Y1575 | E1516-C1520 WeakPolarHBondContact O-CB 3.36Å; E1516-C1520 PolarHBondContact O-N 2.76Å; E1516-C1520 PolarHBondContact O-SG 3.37Å; C1520-T1524 PolarHBondContact O-OG1 2.99Å; C1520-L1565 VanDerWaalsContact SG-CD2 3.55Å; C1520-Y1572 HydrophobicContact CB-CD1 4.02Å; C1520-Y1572 HydrophobicContact CB-CD2 4.47Å; C1520-Y1572 HydrophobicContact CB-CG 3.76Å; C1520-Y1575 WeakPolarHBondContact O-CB 3.41Å |
| 1521 | M | 82 | Confident | 79.9 | Confident | 39 Ų | 39 | 19.5 Ų | 19.5 | 19% | 0.192 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -120.4 | -47.7 | -175.9 | -165.3 | 168.3 | 69 | 0 | 0 | 113.6 | R1517 I1519 T1524 K1525 Y1575 | R1517-M1521 VanDerWaalsContact O-CB 3.24Å; R1517-M1521 WeakPolarHBondContact O-CB 3.43Å; R1517-M1521 PolarHBondContact O-N 2.69Å; I1519-M1521 VanDerWaalsContact C-N 3.33Å; I1519-M1521 PolarHBondContact O-N 3.27Å; M1521-T1524 WeakPolarHBondContact CA-OG1 3.48Å; M1521-T1524 PolarHBondContact N-OG1 3.26Å; M1521-T1524 PolarHBondContact O-OG1 2.99Å; M1521-K1525 WeakPolarHBondContact O-CB 3.47Å; M1521-K1525 WeakPolarHBondContact O-CD 3.43Å; M1521-K1525 WeakPolarHBondContact O-CG 3.28Å; M1521-K1525 PolarHBondContact O-N 3.2Å; M1521-Y1575 HydrophobicContact CB-CD2 4.23Å; M1521-Y1575 HydrophobicContact CG-CD2 3.75Å; M1521-Y1575 HydrophobicContact CG-CE2 3.65Å; M1521-Y1575 HydrophobicContact CG-CG 4.35Å; M1521-Y1575 HydrophobicContact SD-CD2 4.28Å; M1521-Y1575 HydrophobicContact SD-CE2 3.71Å |
| 1522 | S | 85.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -83.8 | -50 | -175.5 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | K1468 R1517 Y1518 K1525 L1526 | K1468-S1522 VanDerWaalsContact CE-OG 3.28Å; K1468-S1522 WeakPolarHBondContact CE-OG 3.39Å; R1517-S1522 PolarHBondContact O-N 3.02Å; Y1518-S1522 CarbonylContact O-C 3.51Å; Y1518-S1522 WeakPolarHBondContact O-CA 3.4Å; Y1518-S1522 WeakPolarHBondContact O-CB 3.31Å; Y1518-S1522 PolarHBondContact O-N 3.32Å; Y1518-S1522 VanDerWaalsContact O-N 3.11Å; S1522-K1525 PolarHBondContact O-N 3.2Å; S1522-L1526 PolarHBondContact O-N 3Å |
| 1523 | A | 87.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -66.1 | -43.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1497 Y1518 K1525 L1526 I1527 | I1497-A1523 HydrophobicContact CG2-CB 4.22Å; Y1518-A1523 HydrophobicContact CE2-CB 4.19Å; Y1518-A1523 PolarHBondContact O-N 2.9Å; A1523-K1525 PolarHBondContact O-N 3.24Å; A1523-L1526 PolarHBondContact O-N 3.08Å; A1523-I1527 WeakPolarHBondContact O-CB 3.48Å; A1523-I1527 WeakPolarHBondContact O-CD1 3.36Å; A1523-I1527 WeakPolarHBondContact O-CG1 3.48Å; A1523-I1527 PolarHBondContact O-N 2.74Å |
| 1524 | T | 85.2 | Confident | 81.1 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 174.6 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | I1519 C1520 M1521 I1527 V1528 L1556 L1576 C1579 | I1519-T1524 PolarHBondContact O-N 3.31Å; C1520-T1524 PolarHBondContact O-OG1 2.99Å; M1521-T1524 WeakPolarHBondContact CA-OG1 3.48Å; M1521-T1524 PolarHBondContact N-OG1 3.26Å; M1521-T1524 PolarHBondContact O-OG1 2.99Å; T1524-I1527 PolarHBondContact O-N 3.27Å; T1524-V1528 VanDerWaalsContact O-CG2 3.3Å; T1524-V1528 WeakPolarHBondContact O-CG2 3.39Å; T1524-V1528 PolarHBondContact O-N 3.18Å; T1524-L1556 HydrophobicContact CG2-CD2 4.49Å; T1524-L1576 HydrophobicContact CG2-CD1 3.82Å; T1524-C1579 HydrophobicContact CG2-CB 3.78Å; T1524-C1579 PolarHBondContact O-SG 3.24Å |
| 1525 | K | 84.8 | Confident | 80.5 | Confident | 93 Ų | 93 | 29.2 Ų | 29.2 | 40% | 0.404 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 174 | -79.1 | -179.7 | -173.5 | -174.1 | 0 | 111.7 | L1471 M1521 S1522 A1523 V1528 A1529 | L1471-K1525 HydrophobicContact CD2-CB 3.87Å; M1521-K1525 WeakPolarHBondContact O-CB 3.47Å; M1521-K1525 WeakPolarHBondContact O-CD 3.43Å; M1521-K1525 WeakPolarHBondContact O-CG 3.28Å; M1521-K1525 PolarHBondContact O-N 3.2Å; S1522-K1525 PolarHBondContact O-N 3.2Å; A1523-K1525 PolarHBondContact O-N 3.24Å; K1525-V1528 PolarHBondContact O-N 3.01Å; K1525-A1529 WeakPolarHBondContact O-CB 3.47Å; K1525-A1529 PolarHBondContact O-N 3.42Å |
| 1526 | L | 87.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.9 | 179.1 | 134.7 | 0 | 0 | 0 | 112 | I1467 L1470 L1471 I1475 I1497 S1522 A1523 V1528 A1529 F1530 | I1467-L1526 HydrophobicContact CD1-CD1 4.28Å; I1467-L1526 HydrophobicContact CG2-CB 4.14Å; I1467-L1526 HydrophobicContact CG2-CD1 4.02Å; L1470-L1526 HydrophobicContact CB-CD1 4.12Å; L1470-L1526 HydrophobicContact CD2-CD1 3.83Å; L1470-L1526 HydrophobicContact CG-CD1 3.99Å; L1471-L1526 HydrophobicContact CB-CD1 4.2Å; I1475-L1526 HydrophobicContact CD1-CD1 3.65Å; I1475-L1526 HydrophobicContact CD1-CD2 4.48Å; I1475-L1526 HydrophobicContact CD1-CG 3.71Å; I1497-L1526 HydrophobicContact CD1-CD2 4.12Å; S1522-L1526 PolarHBondContact O-N 3Å; A1523-L1526 PolarHBondContact O-N 3.08Å; L1526-V1528 PolarHBondContact O-N 3.33Å; L1526-A1529 PolarHBondContact O-N 2.86Å; L1526-F1530 VanDerWaalsContact O-CB 3.23Å; L1526-F1530 WeakPolarHBondContact O-CB 3.41Å; L1526-F1530 PolarHBondContact O-N 2.92Å |
| 1527 | I | 85.4 | Confident | 79 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 177.6 | -68.7 | 163.5 | 0 | 0 | 0 | 110.7 | L1494 I1497 A1523 T1524 F1530 F1531 L1552 L1556 M1583 | L1494-I1527 HydrophobicContact CD2-CG1 4.49Å; I1497-I1527 HydrophobicContact CG2-CD1 4.31Å; A1523-I1527 WeakPolarHBondContact O-CB 3.48Å; A1523-I1527 WeakPolarHBondContact O-CD1 3.36Å; A1523-I1527 WeakPolarHBondContact O-CG1 3.48Å; A1523-I1527 PolarHBondContact O-N 2.74Å; T1524-I1527 PolarHBondContact O-N 3.27Å; I1527-F1530 PolarHBondContact O-N 3.41Å; I1527-F1531 HydrophobicContact CG2-CD2 3.82Å; I1527-F1531 HydrophobicContact CG2-CE2 4.07Å; I1527-F1531 VanDerWaalsContact O-CD2 3.31Å; I1527-F1531 WeakPolarHBondContact O-CD2 3.4Å; I1527-F1531 PolarHBondContact O-N 2.92Å; I1527-L1552 HydrophobicContact CD1-CD1 3.98Å; I1527-L1552 HydrophobicContact CD1-CD2 4.24Å; I1527-L1552 HydrophobicContact CD1-CG 4.48Å; I1527-L1552 HydrophobicContact CG1-CD2 4.27Å; I1527-L1552 HydrophobicContact CG2-CD2 4.01Å; I1527-L1556 HydrophobicContact CD1-CD1 4.28Å; I1527-M1583 HydrophobicContact CG2-CE 4.29Å; I1527-M1583 HydrophobicContact CG2-CG 4.02Å; I1527-M1583 HydrophobicContact CG2-SD 3.49Å; I1527-M1583 WeakPolarHBondContact CG2-SD 3.45Å |
| 1528 | V | 83.2 | Confident | 78.3 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -53.1 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | T1524 K1525 L1526 F1530 F1531 E1532 C1579 | T1524-V1528 VanDerWaalsContact O-CG2 3.3Å; T1524-V1528 WeakPolarHBondContact O-CG2 3.39Å; T1524-V1528 PolarHBondContact O-N 3.18Å; K1525-V1528 PolarHBondContact O-N 3.01Å; L1526-V1528 PolarHBondContact O-N 3.33Å; V1528-F1530 VanDerWaalsContact C-N 3.29Å; V1528-F1530 PolarHBondContact O-N 3.45Å; V1528-F1531 PolarHBondContact O-N 3.19Å; V1528-E1532 HydrophobicContact CG1-CG 4.34Å; V1528-E1532 WeakPolarHBondContact CG1-OE1 3.36Å; V1528-E1532 WeakPolarHBondContact O-CB 3.36Å; V1528-E1532 VanDerWaalsContact O-CG 3.3Å; V1528-E1532 WeakPolarHBondContact O-CG 3.5Å; V1528-E1532 PolarHBondContact O-N 2.87Å; V1528-C1579 VanDerWaalsContact CG2-CA 3.45Å; V1528-C1579 HydrophobicContact CG2-CB 3.8Å |
| 1529 | A | 81.2 | Confident | 77.2 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1471 I1475 K1525 L1526 K1533 | L1471-A1529 HydrophobicContact CD1-CB 3.42Å; L1471-A1529 VanDerWaalsContact CD1-CB 3.42Å; I1475-A1529 HydrophobicContact CG2-CB 3.87Å; K1525-A1529 WeakPolarHBondContact O-CB 3.47Å; K1525-A1529 PolarHBondContact O-N 3.42Å; L1526-A1529 PolarHBondContact O-N 2.86Å; A1529-K1533 WeakPolarHBondContact O-CG 3.39Å |
| 1530 | F | 83.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -50.8 | 178.8 | -178.1 | -105.2 | 0 | 0 | 0 | 112.8 | I1475 M1481 Y1485 M1490 L1494 L1526 I1527 V1528 E1532 K1533 A1536 I1539 | I1475-F1530 HydrophobicContact CD1-CB 4.32Å; I1475-F1530 HydrophobicContact CD1-CD2 4.44Å; M1481-F1530 HydrophobicContact CE-CD2 4.46Å; M1481-F1530 HydrophobicContact CE-CE2 4.35Å; Y1485-F1530 HydrophobicContact CE1-CE2 4.01Å; Y1485-F1530 AromaticContact CE1-CZ 3.73Å; Y1485-F1530 HydrophobicContact CE1-CZ 3.73Å; Y1485-F1530 AromaticContact CZ-CE2 3.96Å; Y1485-F1530 WeakPolarHBondContact OH-CE2 3.19Å; M1490-F1530 HydrophobicContact CB-CZ 4.3Å; M1490-F1530 HydrophobicContact CE-CD1 4.11Å; M1490-F1530 HydrophobicContact CE-CD2 3.57Å; M1490-F1530 HydrophobicContact CE-CE1 4.19Å; M1490-F1530 HydrophobicContact CE-CE2 3.67Å; M1490-F1530 HydrophobicContact CE-CG 3.8Å; M1490-F1530 HydrophobicContact CE-CZ 3.98Å; M1490-F1530 HydrophobicContact CG-CE2 3.92Å; M1490-F1530 HydrophobicContact CG-CZ 4.22Å; M1490-F1530 HydrophobicContact SD-CE2 4.39Å; L1494-F1530 HydrophobicContact CD1-CE1 4.26Å; L1526-F1530 VanDerWaalsContact O-CB 3.23Å; L1526-F1530 WeakPolarHBondContact O-CB 3.41Å; L1526-F1530 PolarHBondContact O-N 2.92Å; I1527-F1530 PolarHBondContact O-N 3.41Å; V1528-F1530 VanDerWaalsContact C-N 3.29Å; V1528-F1530 PolarHBondContact O-N 3.45Å; F1530-E1532 VanDerWaalsContact C-N 3.26Å; F1530-E1532 PolarHBondContact O-N 3.43Å; F1530-K1533 WeakPolarHBondContact O-CB 3.29Å; F1530-K1533 PolarHBondContact O-N 3.28Å; F1530-K1533 VanDerWaalsContact O-N 3.08Å; F1530-A1536 HydrophobicContact CE1-CB 4.24Å; F1530-I1539 HydrophobicContact CE1-CD1 3.88Å; F1530-I1539 HydrophobicContact CZ-CD1 3.51Å |
| 1531 | F | 80.6 | Confident | 74.7 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.4 | -14.2 | -179.2 | -76.3 | -71 | 0 | 0 | 0 | 113.6 | I1527 V1528 A1536 F1549 L1552 M1583 F1586 | I1527-F1531 HydrophobicContact CG2-CD2 3.82Å; I1527-F1531 HydrophobicContact CG2-CE2 4.07Å; I1527-F1531 VanDerWaalsContact O-CD2 3.31Å; I1527-F1531 WeakPolarHBondContact O-CD2 3.4Å; I1527-F1531 PolarHBondContact O-N 2.92Å; V1528-F1531 PolarHBondContact O-N 3.19Å; F1531-A1536 HydrophobicContact CD1-CB 3.99Å; F1531-F1549 HydrophobicContact CD1-CD2 4.15Å; F1531-F1549 HydrophobicContact CD1-CE2 4.13Å; F1531-F1549 AromaticContact CE1-CD2 3.56Å; F1531-F1549 HydrophobicContact CE1-CD2 3.56Å; F1531-F1549 AromaticContact CE1-CE2 4Å; F1531-F1549 HydrophobicContact CE1-CE2 4Å; F1531-F1549 HydrophobicContact CE2-CD2 4.38Å; F1531-F1549 AromaticContact CZ-CD2 3.69Å; F1531-F1549 HydrophobicContact CZ-CD2 3.69Å; F1531-F1549 HydrophobicContact CZ-CE2 4.27Å; F1531-L1552 HydrophobicContact CE2-CD2 3.77Å; F1531-L1552 HydrophobicContact CZ-CD2 4.38Å; F1531-M1583 HydrophobicContact CD2-CE 4.49Å; F1531-M1583 HydrophobicContact CE2-CE 4.28Å; F1531-F1586 HydrophobicContact CB-CD2 4.48Å; F1531-F1586 HydrophobicContact CB-CG 4.36Å; F1531-F1586 HydrophobicContact CD1-CD1 4.11Å; F1531-F1586 AromaticContact CD1-CE1 3.8Å; F1531-F1586 HydrophobicContact CD1-CE1 3.8Å; F1531-F1586 HydrophobicContact CD1-CZ 4.14Å; F1531-F1586 HydrophobicContact CE1-CE1 4.45Å; F1531-F1586 WeakPolarHBondContact O-CD2 3.33Å; F1531-F1586 WeakPolarHBondContact O-CE2 3.2Å |
| 1532 | E | 77.2 | Confident | 73.4 | Confident | 129 Ų | 129 | 44.8 Ų | 44.8 | 60% | 0.603 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14 | 168.2 | -76.9 | 179.8 | 176.2 | 0 | 0 | 112.6 | V1528 F1530 | V1528-E1532 HydrophobicContact CG1-CG 4.34Å; V1528-E1532 WeakPolarHBondContact CG1-OE1 3.36Å; V1528-E1532 WeakPolarHBondContact O-CB 3.36Å; V1528-E1532 VanDerWaalsContact O-CG 3.3Å; V1528-E1532 WeakPolarHBondContact O-CG 3.5Å; V1528-E1532 PolarHBondContact O-N 2.87Å; F1530-E1532 VanDerWaalsContact C-N 3.26Å; F1530-E1532 PolarHBondContact O-N 3.43Å |
| 1533 | K | 75.8 | Confident | 71.8 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -81.7 | 140.4 | 177.1 | -59.3 | -65.8 | -177.4 | 148.2 | 0 | 111.9 | I1475 D1478 M1481 A1529 F1530 L1535 A1536 | I1475-K1533 WeakPolarHBondContact O-CE 3.34Å; I1475-K1533 PolarHBondContact O-NZ 3.08Å; D1478-K1533 WeakPolarHBondContact OD1-CD 3.42Å; D1478-K1533 WeakPolarHBondContact OD1-CE 3.23Å; D1478-K1533 IonicContact OD1-NZ 3.99Å; D1478-K1533 PolarHBondContact OD1-NZ 2.85Å; D1478-K1533 IonicContact OD2-NZ 3.88Å; D1478-K1533 PolarHBondContact OD2-NZ 2.96Å; M1481-K1533 HydrophobicContact CE-CB 4.25Å; M1481-K1533 HydrophobicContact CE-CG 4.14Å; A1529-K1533 WeakPolarHBondContact O-CG 3.39Å; F1530-K1533 WeakPolarHBondContact O-CB 3.29Å; F1530-K1533 PolarHBondContact O-N 3.28Å; F1530-K1533 VanDerWaalsContact O-N 3.08Å; K1533-L1535 VanDerWaalsContact C-N 3.31Å; K1533-L1535 PolarHBondContact O-N 2.86Å; K1533-A1536 WeakPolarHBondContact O-CB 3.26Å; K1533-A1536 PolarHBondContact O-N 3.29Å |
| 1534 | P | 66 | Low | 70.1 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -66.2 | -24.6 | -173.4 | 24 | -32.9 | 0 | 0 | 0 | 114.5 | A1536 H1537 | P1534-A1536 VanDerWaalsContact C-N 3.29Å; P1534-A1536 PolarHBondContact O-N 3.36Å; P1534-H1537 PolarHBondContact O-CD2 3.41Å; P1534-H1537 PolarHBondContact O-NE2 3.11Å |
| 1535 | L | 59.9 | Low | 68.4 | Low | 80 Ų | 80 | 65.5 Ų | 65.5 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -79 | -6.1 | 178.5 | -81.9 | 125.1 | 0 | 0 | 0 | 114.1 | Y1485 K1533 H1537 E1538 | Y1485-L1535 HydrophobicContact CD2-CB 4Å; Y1485-L1535 HydrophobicContact CD2-CD2 4.17Å; Y1485-L1535 HydrophobicContact CE1-CB 4.19Å; Y1485-L1535 WeakPolarHBondContact CE1-O 3.37Å; Y1485-L1535 HydrophobicContact CE2-CB 3.36Å; Y1485-L1535 HydrophobicContact CE2-CD1 4.47Å; Y1485-L1535 HydrophobicContact CE2-CD2 4.32Å; Y1485-L1535 HydrophobicContact CE2-CG 4.25Å; Y1485-L1535 VanDerWaalsContact CZ-CB 3.47Å; K1533-L1535 VanDerWaalsContact C-N 3.31Å; K1533-L1535 PolarHBondContact O-N 2.86Å; L1535-H1537 PolarHBondContact O-N 3.41Å; L1535-E1538 PolarHBondContact O-N 2.92Å |
| 1536 | A | 59.9 | Low | 67 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -64.3 | -5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1530 F1531 K1533 P1534 S1540 F1586 | F1530-A1536 HydrophobicContact CE1-CB 4.24Å; F1531-A1536 HydrophobicContact CD1-CB 3.99Å; K1533-A1536 WeakPolarHBondContact O-CB 3.26Å; K1533-A1536 PolarHBondContact O-N 3.29Å; P1534-A1536 VanDerWaalsContact C-N 3.29Å; P1534-A1536 PolarHBondContact O-N 3.36Å; A1536-S1540 PolarHBondContact O-N 3.01Å; A1536-S1540 PolarHBondContact O-OG 3.15Å; A1536-F1586 HydrophobicContact CB-CZ 4.23Å |
| 1537 | H | 63.5 | Low | 66.2 | Low | 77 Ų | 77 | 72 Ų | 72 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 175.9 | -65.7 | -35.4 | 0 | 0 | 0 | 113.4 | P1534 L1535 I1539 S1540 D1541 F1586 Q1590 | P1534-H1537 PolarHBondContact O-CD2 3.41Å; P1534-H1537 PolarHBondContact O-NE2 3.11Å; L1535-H1537 PolarHBondContact O-N 3.41Å; H1537-I1539 VanDerWaalsContact C-N 3.32Å; H1537-I1539 PolarHBondContact O-N 3.13Å; H1537-S1540 WeakPolarHBondContact O-CB 3.19Å; H1537-S1540 PolarHBondContact O-N 3.44Å; H1537-S1540 VanDerWaalsContact O-N 3.1Å; H1537-D1541 PolarHBondContact O-N 2.88Å; H1537-F1586 AromaticContact CE1-CE2 3.94Å; H1537-F1586 AromaticContact ND1-CZ 3.88Å; H1537-Q1590 PolarHBondContact CE1-NE2 3.47Å; H1537-Q1590 PolarHBondContact CE1-OE1 3.05Å; H1537-Q1590 VanDerWaalsContact CE1-OE1 3.3Å; H1537-Q1590 PolarHBondContact ND1-OE1 2.97Å |
| 1538 | E | 64.2 | Low | 65.6 | Low | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | -176.5 | -67.7 | -176.3 | 166.7 | 0 | 0 | 111.7 | L1535 S1540 D1541 I1544 | L1535-E1538 PolarHBondContact O-N 2.92Å; E1538-S1540 VanDerWaalsContact C-N 3.3Å; E1538-S1540 PolarHBondContact O-N 3.49Å; E1538-D1541 WeakPolarHBondContact O-CB 3.4Å; E1538-D1541 PolarHBondContact O-N 2.94Å; E1538-I1544 WeakPolarHBondContact O-CD1 3.18Å |
| 1539 | I | 62.1 | Low | 65.4 | Low | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.6 | -24 | 177.7 | -55.2 | -172 | 0 | 0 | 0 | 112.4 | Y1485 M1490 V1491 F1530 H1537 D1541 L1548 | Y1485-I1539 HydrophobicContact CD1-CD1 4.18Å; Y1485-I1539 HydrophobicContact CD1-CG1 4.28Å; Y1485-I1539 HydrophobicContact CE1-CD1 4.13Å; Y1485-I1539 HydrophobicContact CE1-CG1 4.4Å; M1490-I1539 HydrophobicContact CB-CD1 4.01Å; V1491-I1539 HydrophobicContact CG2-CD1 4.44Å; V1491-I1539 HydrophobicContact CG2-CG2 4.45Å; F1530-I1539 HydrophobicContact CE1-CD1 3.88Å; F1530-I1539 HydrophobicContact CZ-CD1 3.51Å; H1537-I1539 VanDerWaalsContact C-N 3.32Å; H1537-I1539 PolarHBondContact O-N 3.13Å; I1539-D1541 VanDerWaalsContact C-N 3.27Å; I1539-L1548 HydrophobicContact CG2-CD2 4.11Å |
| 1540 | S | 57.6 | Low | 65.1 | Low | 15 Ų | 15 | 72.6 Ų | 72.6 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -80.9 | -10.8 | -178.7 | -55 | 0 | 0 | 0 | 0 | 112.8 | A1536 H1537 E1538 | A1536-S1540 PolarHBondContact O-N 3.01Å; A1536-S1540 PolarHBondContact O-OG 3.15Å; H1537-S1540 WeakPolarHBondContact O-CB 3.19Å; H1537-S1540 PolarHBondContact O-N 3.44Å; H1537-S1540 VanDerWaalsContact O-N 3.1Å; E1538-S1540 VanDerWaalsContact C-N 3.3Å; E1538-S1540 PolarHBondContact O-N 3.49Å |
| 1541 | D | 57.5 | Low | 65 | Low | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -68.9 | 130.8 | -175.8 | -149 | -8.9 | 0 | 0 | 0 | 110.7 | H1537 E1538 I1539 K1543 I1544 | H1537-D1541 PolarHBondContact O-N 2.88Å; E1538-D1541 WeakPolarHBondContact O-CB 3.4Å; E1538-D1541 PolarHBondContact O-N 2.94Å; I1539-D1541 VanDerWaalsContact C-N 3.27Å; D1541-K1543 PolarHBondContact O-N 3.04Å; D1541-I1544 PolarHBondContact O-N 2.88Å; D1541-I1544 VanDerWaalsContact O-N 3.17Å |
| 1542 | Q | 53 | Low | 65.2 | Low | 137 Ų | 137 | 78.7 Ų | 78.7 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16 | -171.1 | -75.6 | -176.6 | -11.1 | 0 | 0 | 113.7 | ||
| 1543 | K | 52.6 | Low | 65.3 | Low | 192 Ų | 192 | 72.6 Ų | 72.6 | 84% | 0.835 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19.2 | -178.2 | -72.5 | -177.4 | 178.4 | 176.5 | 0 | 114.3 | D1541 E1545 | D1541-K1543 PolarHBondContact O-N 3.04Å; K1543-E1545 PolarHBondContact O-N 2.92Å |
| 1544 | I | 52.4 | Low | 65.6 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 122.3 | 171.5 | -61.8 | 178.5 | 0 | 0 | 0 | 107.5 | E1538 D1541 N1546 | E1538-I1544 WeakPolarHBondContact O-CD1 3.18Å; D1541-I1544 PolarHBondContact O-N 2.88Å; D1541-I1544 VanDerWaalsContact O-N 3.17Å; I1544-N1546 VanDerWaalsContact C-N 3.27Å; I1544-N1546 PolarHBondContact O-N 3.32Å |
| 1545 | E | 48.9 | Very low | 66.3 | Low | 186 Ų | 186 | 68.3 Ų | 68.3 | 87% | 0.869 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -23.8 | 80 | -168.5 | -69.1 | -171.8 | 153 | 0 | 0 | 115.3 | K1543 | K1543-E1545 PolarHBondContact O-N 2.92Š|
| 1546 | N | 55.1 | Low | 67.5 | Low | 137 Ų | 137 | 64.5 Ų | 64.5 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 63.2 | 158.4 | -57.8 | -31.4 | 0 | 0 | 0 | 118.4 | I1544 | I1544-N1546 VanDerWaalsContact C-N 3.27Å; I1544-N1546 PolarHBondContact O-N 3.32Å |
| 1547 | N | 70.5 | Confident | 68.3 | Low | 92 Ų | 92 | 65.1 Ų | 65.1 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | 76.6 | 44.4 | 152.6 | -153.4 | 16 | 0 | 0 | 0 | 115 | F1549 G1550 R1551 | N1547-F1549 VanDerWaalsContact C-N 3.33Å; N1547-F1549 PolarHBondContact O-N 3.44Å; N1547-G1550 PolarHBondContact O-N 2.89Å; N1547-G1550 VanDerWaalsContact O-N 3.08Å; N1547-R1551 PolarHBondContact O-N 3.46Å | ||
| 1548 | L | 73.5 | Confident | 69.1 | Low | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.5 | -46.4 | 177.1 | -169.4 | 80.5 | 0 | 0 | 0 | 112.6 | V1491 L1494 K1495 I1498 I1539 G1550 R1551 L1552 | V1491-L1548 HydrophobicContact CG1-CD2 4.27Å; L1494-L1548 HydrophobicContact CB-CD2 3.95Å; L1494-L1548 HydrophobicContact CD1-CD2 4.06Å; K1495-L1548 HydrophobicContact CB-CD1 4.47Å; I1498-L1548 HydrophobicContact CD1-CD1 3.73Å; I1498-L1548 HydrophobicContact CD1-CG 4.19Å; I1539-L1548 HydrophobicContact CG2-CD2 4.11Å; L1548-G1550 VanDerWaalsContact C-N 3.33Å; L1548-G1550 PolarHBondContact O-N 2.92Å; L1548-R1551 PolarHBondContact O-N 3.17Å; L1548-L1552 WeakPolarHBondContact O-CB 3.39Å; L1548-L1552 PolarHBondContact O-N 2.95Å |
| 1549 | F | 78.8 | Confident | 69.6 | Low | 16 Ų | 16 | 61.4 Ų | 61.4 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 175.9 | 178.4 | -95.3 | 0 | 0 | 0 | 111.8 | F1531 N1547 L1552 L1553 M1583 F1586 A1587 L1592 | F1531-F1549 HydrophobicContact CD1-CD2 4.15Å; F1531-F1549 HydrophobicContact CD1-CE2 4.13Å; F1531-F1549 AromaticContact CE1-CD2 3.56Å; F1531-F1549 HydrophobicContact CE1-CD2 3.56Å; F1531-F1549 AromaticContact CE1-CE2 4Å; F1531-F1549 HydrophobicContact CE1-CE2 4Å; F1531-F1549 HydrophobicContact CE2-CD2 4.38Å; F1531-F1549 AromaticContact CZ-CD2 3.69Å; F1531-F1549 HydrophobicContact CZ-CD2 3.69Å; F1531-F1549 HydrophobicContact CZ-CE2 4.27Å; N1547-F1549 VanDerWaalsContact C-N 3.33Å; N1547-F1549 PolarHBondContact O-N 3.44Å; F1549-L1552 PolarHBondContact O-N 3.32Å; F1549-L1553 HydrophobicContact CE1-CD2 4.4Å; F1549-L1553 WeakPolarHBondContact O-CB 3.42Å; F1549-L1553 PolarHBondContact O-N 3.08Å; F1549-M1583 HydrophobicContact CD2-CE 4.12Å; F1549-M1583 HydrophobicContact CE2-CE 3.75Å; F1549-M1583 HydrophobicContact CZ-CE 4.28Å; F1549-F1586 AromaticContact CE2-CD1 3.83Å; F1549-F1586 HydrophobicContact CE2-CD1 3.83Å; F1549-F1586 HydrophobicContact CE2-CE1 4.26Å; F1549-F1586 HydrophobicContact CZ-CD1 4.07Å; F1549-A1587 HydrophobicContact CE1-CB 3.88Å; F1549-A1587 HydrophobicContact CZ-CB 3.9Å; F1549-L1592 HydrophobicContact CD1-CD1 4.07Å; F1549-L1592 HydrophobicContact CE1-CD1 3.97Å; F1549-L1592 HydrophobicContact CZ-CD1 4.39Å |
| 1550 | G | 75.3 | Confident | 70.2 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1547 L1548 L1553 D1554 | N1547-G1550 PolarHBondContact O-N 2.89Å; N1547-G1550 VanDerWaalsContact O-N 3.08Å; L1548-G1550 VanDerWaalsContact C-N 3.33Å; L1548-G1550 PolarHBondContact O-N 2.92Å; G1550-L1553 PolarHBondContact O-N 3.36Å; G1550-D1554 WeakPolarHBondContact O-CB 3.24Å; G1550-D1554 PolarHBondContact O-N 2.85Å |
| 1551 | R | 81.6 | Confident | 70.8 | Confident | 133 Ų | 133 | 65.9 Ų | 65.9 | 50% | 0.502 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.8 | -69.4 | -175.2 | 75.6 | 174.8 | -0 | 112.1 | I1498 N1547 L1548 L1553 D1554 S1555 | I1498-R1551 HydrophobicContact CD1-CB 4.34Å; N1547-R1551 PolarHBondContact O-N 3.46Å; L1548-R1551 PolarHBondContact O-N 3.17Å; R1551-L1553 VanDerWaalsContact C-N 3.34Å; R1551-L1553 PolarHBondContact O-N 3.47Å; R1551-D1554 PolarHBondContact O-N 3.4Å; R1551-S1555 VanDerWaalsContact O-CB 3.32Å; R1551-S1555 WeakPolarHBondContact O-CB 3.47Å; R1551-S1555 PolarHBondContact O-N 3.02Å; R1551-S1555 PolarHBondContact O-OG 3.37Å |
| 1552 | L | 83.2 | Confident | 71.5 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.8 | -175.9 | 66 | 0 | 0 | 0 | 110.8 | L1494 I1498 I1501 I1527 F1531 L1548 F1549 S1555 L1556 M1583 | L1494-L1552 HydrophobicContact CD2-CD2 4.24Å; I1498-L1552 HydrophobicContact CD1-CB 4.03Å; I1498-L1552 HydrophobicContact CD1-CD1 4.34Å; I1498-L1552 HydrophobicContact CG1-CB 4.17Å; I1498-L1552 HydrophobicContact CG1-CD1 3.65Å; I1501-L1552 HydrophobicContact CD1-CD1 4.19Å; I1527-L1552 HydrophobicContact CD1-CD1 3.98Å; I1527-L1552 HydrophobicContact CD1-CD2 4.24Å; I1527-L1552 HydrophobicContact CD1-CG 4.48Å; I1527-L1552 HydrophobicContact CG1-CD2 4.27Å; I1527-L1552 HydrophobicContact CG2-CD2 4.01Å; F1531-L1552 HydrophobicContact CE2-CD2 3.77Å; F1531-L1552 HydrophobicContact CZ-CD2 4.38Å; L1548-L1552 WeakPolarHBondContact O-CB 3.39Å; L1548-L1552 PolarHBondContact O-N 2.95Å; F1549-L1552 PolarHBondContact O-N 3.32Å; L1552-S1555 PolarHBondContact O-N 3.26Å; L1552-S1555 PolarHBondContact O-OG 2.87Å; L1552-L1556 HydrophobicContact CD1-CD1 4.45Å; L1552-L1556 HydrophobicContact CG-CD1 4.18Å; L1552-L1556 WeakPolarHBondContact O-CB 3.19Å; L1552-L1556 WeakPolarHBondContact O-CG 3.45Å; L1552-L1556 PolarHBondContact O-N 2.73Å; L1552-M1583 HydrophobicContact CB-CE 4.39Å; L1552-M1583 HydrophobicContact CD2-CE 3.73Å; L1552-M1583 HydrophobicContact CD2-SD 4.44Å; L1552-M1583 HydrophobicContact CG-CE 4Å |
| 1553 | L | 79.1 | Confident | 72.1 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 179.5 | -166.3 | 69.5 | 0 | 0 | 0 | 112.3 | F1549 G1550 R1551 G1557 M1583 L1594 V1598 | F1549-L1553 HydrophobicContact CE1-CD2 4.4Å; F1549-L1553 WeakPolarHBondContact O-CB 3.42Å; F1549-L1553 PolarHBondContact O-N 3.08Å; G1550-L1553 PolarHBondContact O-N 3.36Å; R1551-L1553 VanDerWaalsContact C-N 3.34Å; R1551-L1553 PolarHBondContact O-N 3.47Å; L1553-G1557 PolarHBondContact O-N 3.35Å; L1553-M1583 HydrophobicContact CB-CE 4.19Å; L1553-M1583 HydrophobicContact CD1-CB 3.68Å; L1553-M1583 HydrophobicContact CD1-CE 3.95Å; L1553-M1583 HydrophobicContact CD1-SD 4.03Å; L1553-L1594 HydrophobicContact CD2-CD2 4.33Å; L1553-L1594 HydrophobicContact CD2-CG 4.17Å; L1553-V1598 HydrophobicContact CD1-CG1 4.17Å; L1553-V1598 HydrophobicContact CD2-CG1 4.33Å; L1553-V1598 HydrophobicContact CG-CB 4.41Å; L1553-V1598 HydrophobicContact CG-CG1 3.95Å; L1553-V1598 HydrophobicContact CG-CG2 4.2Å |
| 1554 | D | 82 | Confident | 72.9 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.3 | -169.6 | 57.6 | 0 | 0 | 0 | 111.4 | G1550 R1551 G1557 R1558 N1597 | G1550-D1554 WeakPolarHBondContact O-CB 3.24Å; G1550-D1554 PolarHBondContact O-N 2.85Å; R1551-D1554 PolarHBondContact O-N 3.4Å; D1554-G1557 PolarHBondContact O-N 3.05Å; D1554-R1558 WeakPolarHBondContact O-CG 3.39Å; D1554-R1558 PolarHBondContact O-N 3.27Å; D1554-R1558 IonicContact OD2-CZ 3.75Å; D1554-R1558 IonicContact OD2-NE 2.81Å; D1554-R1558 PolarHBondContact OD2-NE 3.12Å; D1554-R1558 IonicContact OD2-NH2 2.91Å; D1554-R1558 PolarHBondContact OD2-NH2 3.46Å; D1554-N1597 PolarHBondContact OD1-ND2 3.13Å |
| 1555 | S | 82.3 | Confident | 73.3 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 178.6 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | R1551 L1552 R1558 L1559 | R1551-S1555 VanDerWaalsContact O-CB 3.32Å; R1551-S1555 WeakPolarHBondContact O-CB 3.47Å; R1551-S1555 PolarHBondContact O-N 3.02Å; R1551-S1555 PolarHBondContact O-OG 3.37Å; L1552-S1555 PolarHBondContact O-N 3.26Å; L1552-S1555 PolarHBondContact O-OG 2.87Å; S1555-R1558 PolarHBondContact O-N 3.24Å; S1555-L1559 PolarHBondContact O-N 2.9Å |
| 1556 | L | 83.8 | Confident | 73.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 173 | -71.8 | 169.4 | 0 | 0 | 0 | 112.3 | I1501 T1524 I1527 L1552 L1559 Q1560 L1576 I1580 M1583 | I1501-L1556 HydrophobicContact CD1-CD2 3.87Å; I1501-L1556 HydrophobicContact CD1-CG 4.28Å; T1524-L1556 HydrophobicContact CG2-CD2 4.49Å; I1527-L1556 HydrophobicContact CD1-CD1 4.28Å; L1552-L1556 HydrophobicContact CD1-CD1 4.45Å; L1552-L1556 HydrophobicContact CG-CD1 4.18Å; L1552-L1556 WeakPolarHBondContact O-CB 3.19Å; L1552-L1556 WeakPolarHBondContact O-CG 3.45Å; L1552-L1556 PolarHBondContact O-N 2.73Å; L1556-L1559 PolarHBondContact O-N 3.48Å; L1556-Q1560 WeakPolarHBondContact O-CB 3.31Å; L1556-Q1560 PolarHBondContact O-N 3.14Å; L1556-L1576 HydrophobicContact CD2-CD1 3.87Å; L1556-I1580 HydrophobicContact CB-CD1 4.4Å; L1556-I1580 HydrophobicContact CB-CG1 4.13Å; L1556-M1583 HydrophobicContact CD1-CE 4.48Å; L1556-M1583 HydrophobicContact CD1-SD 3.47Å; L1556-M1583 WeakPolarHBondContact CD1-SD 3.37Å |
| 1557 | G | 76.5 | Confident | 73.6 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1553 D1554 Q1560 S1561 | L1553-G1557 PolarHBondContact O-N 3.35Å; D1554-G1557 PolarHBondContact O-N 3.05Å; G1557-Q1560 WeakPolarHBondContact O-CB 3.25Å; G1557-Q1560 PolarHBondContact O-N 2.77Å; G1557-S1561 PolarHBondContact O-N 3.35Å |
| 1558 | R | 80.2 | Confident | 72.9 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -46.6 | 172.4 | -72 | 177.1 | -166.6 | -165.5 | 5.1 | 111.1 | Y1505 D1554 S1555 Q1560 S1561 | Y1505-R1558 HydrophobicContact CD2-CB 4.23Å; Y1505-R1558 HydrophobicContact CE2-CB 4.07Å; D1554-R1558 WeakPolarHBondContact O-CG 3.39Å; D1554-R1558 PolarHBondContact O-N 3.27Å; D1554-R1558 IonicContact OD2-CZ 3.75Å; D1554-R1558 IonicContact OD2-NE 2.81Å; D1554-R1558 PolarHBondContact OD2-NE 3.12Å; D1554-R1558 IonicContact OD2-NH2 2.91Å; D1554-R1558 PolarHBondContact OD2-NH2 3.46Å; S1555-R1558 PolarHBondContact O-N 3.24Å; R1558-Q1560 VanDerWaalsContact C-N 3.28Å; R1558-Q1560 PolarHBondContact O-N 3.46Å; R1558-S1561 WeakPolarHBondContact O-CB 3.48Å; R1558-S1561 PolarHBondContact O-N 3.13Å; R1558-S1561 PolarHBondContact O-OG 3.24Å |
| 1559 | L | 76.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 178.1 | -159 | 80.4 | 0 | 0 | 0 | 112 | I1501 L1504 I1519 S1555 L1556 S1561 V1562 L1565 L1576 | I1501-L1559 HydrophobicContact CG2-CB 4.34Å; I1501-L1559 HydrophobicContact CG2-CD1 4.38Å; I1501-L1559 HydrophobicContact CG2-CD2 4.5Å; L1504-L1559 HydrophobicContact CB-CD1 4.31Å; L1504-L1559 HydrophobicContact CD2-CD1 3.87Å; L1504-L1559 HydrophobicContact CD2-CD2 4.2Å; L1504-L1559 HydrophobicContact CG-CD1 4.12Å; I1519-L1559 HydrophobicContact CG2-CD2 3.8Å; S1555-L1559 PolarHBondContact O-N 2.9Å; L1556-L1559 PolarHBondContact O-N 3.48Å; L1559-S1561 VanDerWaalsContact C-N 3.27Å; L1559-S1561 PolarHBondContact O-N 3.15Å; L1559-V1562 VanDerWaalsContact O-CB 3.29Å; L1559-V1562 WeakPolarHBondContact O-CB 3.32Å; L1559-V1562 WeakPolarHBondContact O-CG2 3.37Å; L1559-V1562 PolarHBondContact O-N 2.87Å; L1559-L1565 HydrophobicContact CD1-CD1 4.13Å; L1559-L1565 HydrophobicContact CD2-CD1 4.37Å; L1559-L1565 HydrophobicContact CG-CD1 3.86Å; L1559-L1576 HydrophobicContact CD2-CD1 3.93Å; L1559-L1576 HydrophobicContact CD2-CD2 4.48Å |
| 1560 | Q | 74.2 | Confident | 71.8 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 174.7 | -175 | -163.9 | 10.1 | 0 | 0 | 112.9 | L1556 G1557 R1558 V1562 L1576 M1577 I1580 | L1556-Q1560 WeakPolarHBondContact O-CB 3.31Å; L1556-Q1560 PolarHBondContact O-N 3.14Å; G1557-Q1560 WeakPolarHBondContact O-CB 3.25Å; G1557-Q1560 PolarHBondContact O-N 2.77Å; R1558-Q1560 VanDerWaalsContact C-N 3.28Å; R1558-Q1560 PolarHBondContact O-N 3.46Å; Q1560-V1562 PolarHBondContact O-N 3.38Å; Q1560-L1576 HydrophobicContact CB-CD2 3.9Å; Q1560-L1576 HydrophobicContact CG-CD2 4.48Å; Q1560-M1577 HydrophobicContact CG-SD 4.32Å; Q1560-M1577 PolarHBondContact NE2-SD 3.12Å; Q1560-I1580 HydrophobicContact CB-CD1 3.79Å; Q1560-I1580 HydrophobicContact CG-CD1 4.08Å |
| 1561 | S | 70 | Confident | 71.5 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.9 | -17.4 | -179.4 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | G1557 R1558 L1559 V1563 | G1557-S1561 PolarHBondContact O-N 3.35Å; R1558-S1561 WeakPolarHBondContact O-CB 3.48Å; R1558-S1561 PolarHBondContact O-N 3.13Å; R1558-S1561 PolarHBondContact O-OG 3.24Å; L1559-S1561 VanDerWaalsContact C-N 3.27Å; L1559-S1561 PolarHBondContact O-N 3.15Å; S1561-V1563 PolarHBondContact O-N 2.9Å |
| 1562 | V | 71.4 | Confident | 71.2 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | trans | -67.6 | 128.9 | -174.5 | 179.4 | 0 | 0 | 0 | 0 | 112 | Y1505 L1559 Q1560 W1564 L1565 | Y1505-V1562 HydrophobicContact CD2-CG2 3.54Å; Y1505-V1562 HydrophobicContact CE2-CG2 3.66Å; L1559-V1562 VanDerWaalsContact O-CB 3.29Å; L1559-V1562 WeakPolarHBondContact O-CB 3.32Å; L1559-V1562 WeakPolarHBondContact O-CG2 3.37Å; L1559-V1562 PolarHBondContact O-N 2.87Å; Q1560-V1562 PolarHBondContact O-N 3.38Å; V1562-W1564 HydrophobicContact CG1-CD2 3.93Å; V1562-W1564 VanDerWaalsContact CG1-CE2 3.46Å; V1562-W1564 HydrophobicContact CG1-CG 3.77Å; V1562-W1564 HydrophobicContact CG1-CZ2 4.17Å; V1562-L1565 HydrophobicContact CB-CD1 4.21Å; V1562-L1565 HydrophobicContact CG1-CD1 4.28Å | ||
| 1563 | V | 66.3 | Low | 70.6 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -76.1 | -37.2 | -172.8 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | S1561 L1565 K1566 | S1561-V1563 PolarHBondContact O-N 2.9Å; V1563-L1565 PolarHBondContact O-N 3.16Å; V1563-K1566 WeakPolarHBondContact O-CB 3.32Å; V1563-K1566 WeakPolarHBondContact O-CG 3.31Å; V1563-K1566 PolarHBondContact O-N 3.46Å |
| 1564 | W | 68.4 | Low | 70.3 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.7 | -174.9 | 59.8 | -102.5 | 0 | 0 | 0 | 112.8 | L1504 P1509 E1516 V1562 K1566 N1567 I1568 | L1504-W1564 HydrophobicContact CD1-CH2 3.95Å; L1504-W1564 HydrophobicContact CD1-CZ2 4.44Å; L1504-W1564 HydrophobicContact CD2-CH2 4.46Å; L1504-W1564 HydrophobicContact CG-CH2 4.13Å; L1504-W1564 HydrophobicContact CG-CZ2 4.38Å; P1509-W1564 HydrophobicContact CB-CD2 4.14Å; P1509-W1564 HydrophobicContact CB-CE3 4.16Å; P1509-W1564 HydrophobicContact CB-CG 4.42Å; P1509-W1564 HydrophobicContact CG-CD2 4.47Å; P1509-W1564 HydrophobicContact CG-CG 4.32Å; E1516-W1564 HydrophobicContact CG-CH2 4.43Å; E1516-W1564 HydrophobicContact CG-CZ3 4.21Å; E1516-W1564 VanDerWaalsContact OE1-CZ3 3.25Å; E1516-W1564 WeakPolarHBondContact OE1-CZ3 3.26Å; V1562-W1564 HydrophobicContact CG1-CD2 3.93Å; V1562-W1564 VanDerWaalsContact CG1-CE2 3.46Å; V1562-W1564 HydrophobicContact CG1-CG 3.77Å; V1562-W1564 HydrophobicContact CG1-CZ2 4.17Å; W1564-K1566 PolarHBondContact O-N 3.26Å; W1564-K1566 VanDerWaalsContact O-N 3.12Å; W1564-N1567 PolarHBondContact O-N 3.17Å; W1564-N1567 VanDerWaalsContact O-N 3.09Å; W1564-I1568 HydrophobicContact CE3-CD1 4.11Å |
| 1565 | L | 62.3 | Low | 70 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.8 | -23.1 | 169.9 | -93.9 | 148.4 | 0 | 0 | 0 | 113 | C1520 L1559 V1562 V1563 N1567 | C1520-L1565 VanDerWaalsContact SG-CD2 3.55Å; L1559-L1565 HydrophobicContact CD1-CD1 4.13Å; L1559-L1565 HydrophobicContact CD2-CD1 4.37Å; L1559-L1565 HydrophobicContact CG-CD1 3.86Å; V1562-L1565 HydrophobicContact CB-CD1 4.21Å; V1562-L1565 HydrophobicContact CG1-CD1 4.28Å; V1563-L1565 PolarHBondContact O-N 3.16Å; L1565-N1567 VanDerWaalsContact C-N 3.34Å |
| 1566 | K | 53.8 | Low | 69.9 | Low | 93 Ų | 93 | 60.7 Ų | 60.7 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.5 | -28.5 | 177.6 | -59.9 | 177.3 | -179.1 | 170.3 | 0 | 113 | V1563 W1564 | V1563-K1566 WeakPolarHBondContact O-CB 3.32Å; V1563-K1566 WeakPolarHBondContact O-CG 3.31Å; V1563-K1566 PolarHBondContact O-N 3.46Å; W1564-K1566 PolarHBondContact O-N 3.26Å; W1564-K1566 VanDerWaalsContact O-N 3.12Å |
| 1567 | N | 56 | Low | 69.5 | Low | 141 Ų | 141 | 61.6 Ų | 61.6 | 75% | 0.754 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -91.5 | -26.2 | -170.7 | -72 | -6.6 | 0 | 0 | 0 | 113.3 | W1564 L1565 | W1564-N1567 PolarHBondContact O-N 3.17Å; W1564-N1567 VanDerWaalsContact O-N 3.09Å; L1565-N1567 VanDerWaalsContact C-N 3.34Å |
| 1568 | I | 55 | Low | 69.3 | Low | 95 Ų | 95 | 63 Ų | 63 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -89.2 | -44.7 | -165.7 | -58.2 | 173.9 | 0 | 0 | 0 | 112.6 | W1564 | W1564-I1568 HydrophobicContact CE3-CD1 4.11Å |
| 1569 | N | 63.4 | Low | 69.5 | Low | 52 Ų | 52 | 57.4 Ų | 57.4 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | trans | -152.5 | 111.2 | -175.6 | -141.4 | -30.7 | 0 | 0 | 0 | 113.9 | N1571 Y1572 | N1569-N1571 PolarHBondContact O-N 3.12Å; N1569-N1571 VanDerWaalsContact O-N 3.12Å; N1569-Y1572 HydrophobicContact CB-CD2 3.45Å; N1569-Y1572 VanDerWaalsContact CB-CD2 3.45Å; N1569-Y1572 HydrophobicContact CB-CE2 3.66Å; N1569-Y1572 HydrophobicContact CB-CG 3.9Å; N1569-Y1572 PolarHBondContact ND2-OH 2.9Å; N1569-Y1572 PolarHBondContact O-N 2.68Å | ||
| 1570 | V | 66.8 | Low | 69.7 | Low | 99 Ų | 99 | 57.4 Ų | 57.4 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.8 | -29.9 | 177.7 | 180 | 0 | 0 | 0 | 0 | 111.8 | F1574 | V1570-F1574 PolarHBondContact O-N 3.41Å |
| 1571 | N | 68.8 | Low | 69.8 | Low | 96 Ų | 96 | 57.9 Ų | 57.9 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 179.4 | -68.7 | -28.5 | 0 | 0 | 0 | 113.2 | N1569 K1573 F1574 Y1575 | N1569-N1571 PolarHBondContact O-N 3.12Å; N1569-N1571 VanDerWaalsContact O-N 3.12Å; N1571-K1573 VanDerWaalsContact C-N 3.27Å; N1571-K1573 PolarHBondContact O-N 2.85Å; N1571-F1574 WeakPolarHBondContact O-CA 3.38Å; N1571-F1574 VanDerWaalsContact O-CB 3.3Å; N1571-F1574 WeakPolarHBondContact O-CB 3.37Å; N1571-F1574 PolarHBondContact O-N 3.33Å; N1571-Y1575 HydrophobicContact CB-CE2 4.4Å; N1571-Y1575 WeakPolarHBondContact O-CD2 3.45Å; N1571-Y1575 PolarHBondContact O-N 3.37Å |
| 1572 | Y | 74.5 | Confident | 70.2 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 177.4 | -65.7 | -19.5 | 0 | 0 | 0 | 111.1 | E1516 R1517 C1520 N1569 F1574 Y1575 L1576 | E1516-Y1572 HydrophobicContact CB-CE2 4.3Å; R1517-Y1572 HydrophobicContact CG-CE1 4.02Å; R1517-Y1572 WeakPolarHBondContact CG-OH 3.44Å; C1520-Y1572 HydrophobicContact CB-CD1 4.02Å; C1520-Y1572 HydrophobicContact CB-CD2 4.47Å; C1520-Y1572 HydrophobicContact CB-CG 3.76Å; N1569-Y1572 HydrophobicContact CB-CD2 3.45Å; N1569-Y1572 VanDerWaalsContact CB-CD2 3.45Å; N1569-Y1572 HydrophobicContact CB-CE2 3.66Å; N1569-Y1572 HydrophobicContact CB-CG 3.9Å; N1569-Y1572 PolarHBondContact ND2-OH 2.9Å; N1569-Y1572 PolarHBondContact O-N 2.68Å; Y1572-F1574 VanDerWaalsContact C-N 3.32Å; Y1572-F1574 PolarHBondContact O-N 3.11Å; Y1572-Y1575 PolarHBondContact O-N 3.14Å; Y1572-L1576 WeakPolarHBondContact O-CB 3.32Å; Y1572-L1576 PolarHBondContact O-N 3.25Å |
| 1573 | K | 72.4 | Confident | 70.8 | Confident | 80 Ų | 80 | 54.5 Ų | 54.5 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 171 | -173.5 | 178 | -178.1 | 176.1 | 0 | 112.2 | N1571 M1577 | N1571-K1573 VanDerWaalsContact C-N 3.27Å; N1571-K1573 PolarHBondContact O-N 2.85Å; K1573-M1577 HydrophobicContact CG-CG 4.13Å; K1573-M1577 WeakPolarHBondContact O-CB 3.36Å; K1573-M1577 WeakPolarHBondContact O-CG 3.27Å; K1573-M1577 PolarHBondContact O-N 3.42Å |
| 1574 | F | 71 | Confident | 71.3 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 39% | 0.386 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 176.9 | 178.4 | -79 | 0 | 0 | 0 | 111.4 | V1570 N1571 Y1572 S1578 W1608 | V1570-F1574 PolarHBondContact O-N 3.41Å; N1571-F1574 WeakPolarHBondContact O-CA 3.38Å; N1571-F1574 VanDerWaalsContact O-CB 3.3Å; N1571-F1574 WeakPolarHBondContact O-CB 3.37Å; N1571-F1574 PolarHBondContact O-N 3.33Å; Y1572-F1574 VanDerWaalsContact C-N 3.32Å; Y1572-F1574 PolarHBondContact O-N 3.11Å; F1574-S1578 WeakPolarHBondContact O-CB 3.43Å; F1574-S1578 PolarHBondContact O-N 2.97Å; F1574-W1608 HydrophobicContact CB-CH2 3.96Å; F1574-W1608 HydrophobicContact CB-CZ3 4.21Å; F1574-W1608 HydrophobicContact CD1-CH2 4.23Å; F1574-W1608 AromaticContact CD2-CH2 2.89Å; F1574-W1608 HydrophobicContact CD2-CH2 2.89Å; F1574-W1608 AromaticContact CD2-CZ2 3.66Å; F1574-W1608 HydrophobicContact CD2-CZ2 3.66Å; F1574-W1608 AromaticContact CD2-CZ3 3.4Å; F1574-W1608 HydrophobicContact CD2-CZ3 3.4Å; F1574-W1608 HydrophobicContact CE1-CH2 4.46Å; F1574-W1608 AromaticContact CE2-CH2 3.18Å; F1574-W1608 HydrophobicContact CE2-CH2 3.18Å; F1574-W1608 AromaticContact CE2-CZ2 3.39Å; F1574-W1608 HydrophobicContact CE2-CZ2 3.39Å; F1574-W1608 AromaticContact CE2-CZ3 3.97Å; F1574-W1608 HydrophobicContact CE2-CZ3 3.97Å; F1574-W1608 AromaticContact CG-CH2 3.45Å; F1574-W1608 HydrophobicContact CG-CH2 3.45Å; F1574-W1608 VanDerWaalsContact CG-CH2 3.45Å; F1574-W1608 HydrophobicContact CG-CZ2 4.37Å; F1574-W1608 HydrophobicContact CG-CZ3 4.07Å; F1574-W1608 AromaticContact CZ-CH2 3.98Å; F1574-W1608 HydrophobicContact CZ-CH2 3.98Å; F1574-W1608 AromaticContact CZ-CZ2 3.96Å; F1574-W1608 HydrophobicContact CZ-CZ2 3.96Å |
| 1575 | Y | 75.6 | Confident | 71.7 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 27% | 0.271 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | -179.8 | -69.4 | -61.7 | 0 | 0 | 0 | 112.7 | C1520 M1521 N1571 Y1572 S1578 C1579 | C1520-Y1575 WeakPolarHBondContact O-CB 3.41Å; M1521-Y1575 HydrophobicContact CB-CD2 4.23Å; M1521-Y1575 HydrophobicContact CG-CD2 3.75Å; M1521-Y1575 HydrophobicContact CG-CE2 3.65Å; M1521-Y1575 HydrophobicContact CG-CG 4.35Å; M1521-Y1575 HydrophobicContact SD-CD2 4.28Å; M1521-Y1575 HydrophobicContact SD-CE2 3.71Å; N1571-Y1575 HydrophobicContact CB-CE2 4.4Å; N1571-Y1575 WeakPolarHBondContact O-CD2 3.45Å; N1571-Y1575 PolarHBondContact O-N 3.37Å; Y1572-Y1575 PolarHBondContact O-N 3.14Å; Y1575-S1578 PolarHBondContact O-N 2.9Å; Y1575-C1579 WeakPolarHBondContact O-CB 3.49Å; Y1575-C1579 PolarHBondContact O-N 2.91Å |
| 1576 | L | 80.7 | Confident | 72.5 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 177.3 | -163.4 | 81 | 0 | 0 | 0 | 111.7 | T1524 L1556 L1559 Q1560 Y1572 C1579 I1580 | T1524-L1576 HydrophobicContact CG2-CD1 3.82Å; L1556-L1576 HydrophobicContact CD2-CD1 3.87Å; L1559-L1576 HydrophobicContact CD2-CD1 3.93Å; L1559-L1576 HydrophobicContact CD2-CD2 4.48Å; Q1560-L1576 HydrophobicContact CB-CD2 3.9Å; Q1560-L1576 HydrophobicContact CG-CD2 4.48Å; Y1572-L1576 WeakPolarHBondContact O-CB 3.32Å; Y1572-L1576 PolarHBondContact O-N 3.25Å; L1576-C1579 WeakPolarHBondContact O-CB 3.33Å; L1576-C1579 PolarHBondContact O-N 2.83Å; L1576-I1580 HydrophobicContact CG-CD1 4.31Å; L1576-I1580 WeakPolarHBondContact O-CG1 3.46Å; L1576-I1580 PolarHBondContact O-N 3.42Å |
| 1577 | M | 74.9 | Confident | 73.5 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.7 | -72.5 | -75.2 | -54.6 | 0 | 0 | 111.9 | Q1560 K1573 C1579 I1580 E1581 M1600 W1608 | Q1560-M1577 HydrophobicContact CG-SD 4.32Å; Q1560-M1577 PolarHBondContact NE2-SD 3.12Å; K1573-M1577 HydrophobicContact CG-CG 4.13Å; K1573-M1577 WeakPolarHBondContact O-CB 3.36Å; K1573-M1577 WeakPolarHBondContact O-CG 3.27Å; K1573-M1577 PolarHBondContact O-N 3.42Å; M1577-C1579 VanDerWaalsContact C-N 3.27Å; M1577-C1579 PolarHBondContact O-N 3.2Å; M1577-I1580 PolarHBondContact O-N 3.13Å; M1577-E1581 VanDerWaalsContact O-CB 3.32Å; M1577-E1581 WeakPolarHBondContact O-CB 3.26Å; M1577-E1581 PolarHBondContact O-N 3.42Å; M1577-M1600 HydrophobicContact CE-CE 3.82Å; M1577-M1600 HydrophobicContact CE-SD 3.25Å; M1577-M1600 WeakPolarHBondContact CE-SD 3.42Å; M1577-M1600 HydrophobicContact SD-CE 4.2Å; M1577-M1600 HydrophobicContact SD-SD 4Å; M1577-W1608 HydrophobicContact CB-CH2 4.42Å |
| 1578 | S | 73 | Confident | 74.3 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 176.2 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | F1574 Y1575 S1582 | F1574-S1578 WeakPolarHBondContact O-CB 3.43Å; F1574-S1578 PolarHBondContact O-N 2.97Å; Y1575-S1578 PolarHBondContact O-N 2.9Å; S1578-S1582 WeakPolarHBondContact O-CB 3.42Å; S1578-S1582 PolarHBondContact O-N 3.16Å; S1578-S1582 PolarHBondContact O-OG 3.31Å |
| 1579 | C | 83.6 | Confident | 75 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -50.6 | 178 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | T1524 V1528 Y1575 L1576 M1577 E1581 S1582 M1583 | T1524-C1579 HydrophobicContact CG2-CB 3.78Å; T1524-C1579 PolarHBondContact O-SG 3.24Å; V1528-C1579 VanDerWaalsContact CG2-CA 3.45Å; V1528-C1579 HydrophobicContact CG2-CB 3.8Å; Y1575-C1579 WeakPolarHBondContact O-CB 3.49Å; Y1575-C1579 PolarHBondContact O-N 2.91Å; L1576-C1579 WeakPolarHBondContact O-CB 3.33Å; L1576-C1579 PolarHBondContact O-N 2.83Å; M1577-C1579 VanDerWaalsContact C-N 3.27Å; M1577-C1579 PolarHBondContact O-N 3.2Å; C1579-E1581 VanDerWaalsContact C-N 3.29Å; C1579-E1581 PolarHBondContact O-N 3.32Å; C1579-S1582 PolarHBondContact O-N 2.86Å; C1579-M1583 WeakPolarHBondContact O-CG 3.29Å; C1579-M1583 PolarHBondContact O-N 3.12Å |
| 1580 | I | 80.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 176.2 | -64.9 | 168.6 | 0 | 0 | 0 | 110.6 | L1556 Q1560 L1576 M1577 M1583 C1584 V1598 | L1556-I1580 HydrophobicContact CB-CD1 4.4Å; L1556-I1580 HydrophobicContact CB-CG1 4.13Å; Q1560-I1580 HydrophobicContact CB-CD1 3.79Å; Q1560-I1580 HydrophobicContact CG-CD1 4.08Å; L1576-I1580 HydrophobicContact CG-CD1 4.31Å; L1576-I1580 WeakPolarHBondContact O-CG1 3.46Å; L1576-I1580 PolarHBondContact O-N 3.42Å; M1577-I1580 PolarHBondContact O-N 3.13Å; I1580-M1583 PolarHBondContact O-N 2.91Å; I1580-C1584 VanDerWaalsContact O-CB 3.25Å; I1580-C1584 WeakPolarHBondContact O-CB 3.32Å; I1580-C1584 PolarHBondContact O-N 3.38Å; I1580-C1584 PolarHBondContact O-SG 3.15Å; I1580-V1598 HydrophobicContact CG2-CG1 3.86Å |
| 1581 | E | 78.1 | Confident | 75.1 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 176.8 | -171.3 | -179.5 | 176.6 | 0 | 0 | 112.1 | M1577 C1579 C1584 R1585 | M1577-E1581 VanDerWaalsContact O-CB 3.32Å; M1577-E1581 WeakPolarHBondContact O-CB 3.26Å; M1577-E1581 PolarHBondContact O-N 3.42Å; C1579-E1581 VanDerWaalsContact C-N 3.29Å; C1579-E1581 PolarHBondContact O-N 3.32Å; E1581-C1584 PolarHBondContact O-N 3.42Å; E1581-R1585 VanDerWaalsContact CD-NH2 3.25Å; E1581-R1585 WeakPolarHBondContact O-CG 3.38Å; E1581-R1585 PolarHBondContact O-N 2.7Å; E1581-R1585 IonicContact OE1-CZ 3.11Å; E1581-R1585 IonicContact OE1-NE 2.7Å; E1581-R1585 IonicContact OE1-NH2 3.28Å; E1581-R1585 PolarHBondContact OE1-NH2 3.06Å; E1581-R1585 IonicContact OE2-NH2 2.72Å |
| 1582 | S | 78.2 | Confident | 75.1 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.9 | -74.9 | 0 | 0 | 0 | 0 | 112 | S1578 C1579 R1585 F1586 | S1578-S1582 WeakPolarHBondContact O-CB 3.42Å; S1578-S1582 PolarHBondContact O-N 3.16Å; S1578-S1582 PolarHBondContact O-OG 3.31Å; C1579-S1582 PolarHBondContact O-N 2.86Å; S1582-R1585 WeakPolarHBondContact O-CB 3.31Å; S1582-R1585 PolarHBondContact O-N 2.95Å; S1582-F1586 PolarHBondContact O-N 3.39Å |
| 1583 | M | 82.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.4 | -69.8 | -175.9 | 73.8 | 0 | 0 | 112.6 | I1527 F1531 F1549 L1552 L1553 L1556 C1579 I1580 R1585 F1586 A1587 | I1527-M1583 HydrophobicContact CG2-CE 4.29Å; I1527-M1583 HydrophobicContact CG2-CG 4.02Å; I1527-M1583 HydrophobicContact CG2-SD 3.49Å; I1527-M1583 WeakPolarHBondContact CG2-SD 3.45Å; F1531-M1583 HydrophobicContact CD2-CE 4.49Å; F1531-M1583 HydrophobicContact CE2-CE 4.28Å; F1549-M1583 HydrophobicContact CD2-CE 4.12Å; F1549-M1583 HydrophobicContact CE2-CE 3.75Å; F1549-M1583 HydrophobicContact CZ-CE 4.28Å; L1552-M1583 HydrophobicContact CB-CE 4.39Å; L1552-M1583 HydrophobicContact CD2-CE 3.73Å; L1552-M1583 HydrophobicContact CD2-SD 4.44Å; L1552-M1583 HydrophobicContact CG-CE 4Å; L1553-M1583 HydrophobicContact CB-CE 4.19Å; L1553-M1583 HydrophobicContact CD1-CB 3.68Å; L1553-M1583 HydrophobicContact CD1-CE 3.95Å; L1553-M1583 HydrophobicContact CD1-SD 4.03Å; L1556-M1583 HydrophobicContact CD1-CE 4.48Å; L1556-M1583 HydrophobicContact CD1-SD 3.47Å; L1556-M1583 WeakPolarHBondContact CD1-SD 3.37Å; C1579-M1583 WeakPolarHBondContact O-CG 3.29Å; C1579-M1583 PolarHBondContact O-N 3.12Å; I1580-M1583 PolarHBondContact O-N 2.91Å; M1583-R1585 VanDerWaalsContact C-N 3.33Å; M1583-R1585 PolarHBondContact O-N 3.48Å; M1583-F1586 WeakPolarHBondContact O-CB 3.39Å; M1583-F1586 PolarHBondContact O-N 2.89Å; M1583-A1587 WeakPolarHBondContact O-CB 3.49Å; M1583-A1587 PolarHBondContact O-N 2.93Å |
| 1584 | C | 77.7 | Confident | 74 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 173.6 | -74.6 | 0 | 0 | 0 | 0 | 111.5 | I1580 E1581 N1588 L1594 | I1580-C1584 VanDerWaalsContact O-CB 3.25Å; I1580-C1584 WeakPolarHBondContact O-CB 3.32Å; I1580-C1584 PolarHBondContact O-N 3.38Å; I1580-C1584 PolarHBondContact O-SG 3.15Å; E1581-C1584 PolarHBondContact O-N 3.42Å; C1584-N1588 WeakPolarHBondContact O-CB 3.32Å; C1584-N1588 PolarHBondContact O-N 2.93Å; C1584-N1588 PolarHBondContact O-ND2 3.11Å; C1584-N1588 VanDerWaalsContact O-ND2 3.11Å; C1584-L1594 HydrophobicContact CB-CD2 4.24Å; C1584-L1594 VanDerWaalsContact SG-CD2 3.57Å |
| 1585 | R | 77.4 | Confident | 73.4 | Confident | 136 Ų | 136 | 57.9 Ų | 57.9 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 171.6 | -78.8 | -170.7 | -149.5 | 143.1 | 4.9 | 111.5 | E1581 S1582 M1583 N1588 L1589 | E1581-R1585 VanDerWaalsContact CD-NH2 3.25Å; E1581-R1585 WeakPolarHBondContact O-CG 3.38Å; E1581-R1585 PolarHBondContact O-N 2.7Å; E1581-R1585 IonicContact OE1-CZ 3.11Å; E1581-R1585 IonicContact OE1-NE 2.7Å; E1581-R1585 IonicContact OE1-NH2 3.28Å; E1581-R1585 PolarHBondContact OE1-NH2 3.06Å; E1581-R1585 IonicContact OE2-NH2 2.72Å; S1582-R1585 WeakPolarHBondContact O-CB 3.31Å; S1582-R1585 PolarHBondContact O-N 2.95Å; M1583-R1585 VanDerWaalsContact C-N 3.33Å; M1583-R1585 PolarHBondContact O-N 3.48Å; R1585-N1588 PolarHBondContact O-N 3.41Å; R1585-L1589 WeakPolarHBondContact O-CB 3.39Å; R1585-L1589 WeakPolarHBondContact O-CG 3.24Å; R1585-L1589 PolarHBondContact O-N 3.35Å |
| 1586 | F | 78.2 | Confident | 72.4 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 176.7 | 179.6 | -97.3 | 0 | 0 | 0 | 111.5 | F1531 A1536 H1537 F1549 S1582 M1583 N1588 L1589 Q1590 L1592 | F1531-F1586 HydrophobicContact CB-CD2 4.48Å; F1531-F1586 HydrophobicContact CB-CG 4.36Å; F1531-F1586 HydrophobicContact CD1-CD1 4.11Å; F1531-F1586 AromaticContact CD1-CE1 3.8Å; F1531-F1586 HydrophobicContact CD1-CE1 3.8Å; F1531-F1586 HydrophobicContact CD1-CZ 4.14Å; F1531-F1586 HydrophobicContact CE1-CE1 4.45Å; F1531-F1586 WeakPolarHBondContact O-CD2 3.33Å; F1531-F1586 WeakPolarHBondContact O-CE2 3.2Å; A1536-F1586 HydrophobicContact CB-CZ 4.23Å; H1537-F1586 AromaticContact CE1-CE2 3.94Å; H1537-F1586 AromaticContact ND1-CZ 3.88Å; F1549-F1586 AromaticContact CE2-CD1 3.83Å; F1549-F1586 HydrophobicContact CE2-CD1 3.83Å; F1549-F1586 HydrophobicContact CE2-CE1 4.26Å; F1549-F1586 HydrophobicContact CZ-CD1 4.07Å; S1582-F1586 PolarHBondContact O-N 3.39Å; M1583-F1586 WeakPolarHBondContact O-CB 3.39Å; M1583-F1586 PolarHBondContact O-N 2.89Å; F1586-N1588 VanDerWaalsContact C-N 3.31Å; F1586-N1588 PolarHBondContact O-N 3.4Å; F1586-L1589 PolarHBondContact O-N 3.01Å; F1586-Q1590 HydrophobicContact CD2-CG 4.41Å; F1586-Q1590 HydrophobicContact CE1-CG 4.2Å; F1586-Q1590 HydrophobicContact CE2-CG 4.09Å; F1586-Q1590 HydrophobicContact CZ-CG 3.98Å; F1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; F1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; F1586-Q1590 PolarHBondContact O-N 2.85Å; F1586-L1592 HydrophobicContact CE1-CD1 4.31Å |
| 1587 | A | 75.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1549 M1583 Q1590 R1591 L1592 L1594 | F1549-A1587 HydrophobicContact CE1-CB 3.88Å; F1549-A1587 HydrophobicContact CZ-CB 3.9Å; M1583-A1587 WeakPolarHBondContact O-CB 3.49Å; M1583-A1587 PolarHBondContact O-N 2.93Å; A1587-Q1590 CarbonylContact O-C 3.54Å; A1587-Q1590 PolarHBondContact O-N 3.29Å; A1587-R1591 PolarHBondContact O-N 2.87Å; A1587-L1592 HydrophobicContact CB-CB 4.21Å; A1587-L1592 PolarHBondContact O-N 3.07Å; A1587-L1594 HydrophobicContact CB-CD1 3.51Å; A1587-L1594 HydrophobicContact CB-CG 4.23Å |
| 1588 | N | 72 | Confident | 70.2 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 60% | 0.599 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 175.9 | -73.6 | -28.8 | 0 | 0 | 0 | 112.6 | C1584 R1585 F1586 Q1590 R1591 | C1584-N1588 WeakPolarHBondContact O-CB 3.32Å; C1584-N1588 PolarHBondContact O-N 2.93Å; C1584-N1588 PolarHBondContact O-ND2 3.11Å; C1584-N1588 VanDerWaalsContact O-ND2 3.11Å; R1585-N1588 PolarHBondContact O-N 3.41Å; F1586-N1588 VanDerWaalsContact C-N 3.31Å; F1586-N1588 PolarHBondContact O-N 3.4Å; N1588-Q1590 VanDerWaalsContact C-N 3.27Å; N1588-Q1590 PolarHBondContact O-N 3.44Å; N1588-R1591 PolarHBondContact O-N 3.22Å |
| 1589 | L | 69.5 | Low | 69.1 | Low | 138 Ų | 138 | 65.2 Ų | 65.2 | 72% | 0.723 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.2 | -35.5 | 176.3 | -75.4 | 169.4 | 0 | 0 | 0 | 111.5 | R1585 F1586 | R1585-L1589 WeakPolarHBondContact O-CB 3.39Å; R1585-L1589 WeakPolarHBondContact O-CG 3.24Å; R1585-L1589 PolarHBondContact O-N 3.35Å; F1586-L1589 PolarHBondContact O-N 3.01Å |
| 1590 | Q | 65.9 | Low | 67.6 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3.7 | -178.2 | -61.4 | -53.8 | -41.5 | 0 | 0 | 114.7 | H1537 F1586 A1587 N1588 L1592 | H1537-Q1590 PolarHBondContact CE1-NE2 3.47Å; H1537-Q1590 PolarHBondContact CE1-OE1 3.05Å; H1537-Q1590 VanDerWaalsContact CE1-OE1 3.3Å; H1537-Q1590 PolarHBondContact ND1-OE1 2.97Å; F1586-Q1590 HydrophobicContact CD2-CG 4.41Å; F1586-Q1590 HydrophobicContact CE1-CG 4.2Å; F1586-Q1590 HydrophobicContact CE2-CG 4.09Å; F1586-Q1590 HydrophobicContact CZ-CG 3.98Å; F1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; F1586-Q1590 WeakPolarHBondContact O-CG 3.4Å; F1586-Q1590 PolarHBondContact O-N 2.85Å; A1587-Q1590 CarbonylContact O-C 3.54Å; A1587-Q1590 PolarHBondContact O-N 3.29Å; N1588-Q1590 VanDerWaalsContact C-N 3.27Å; N1588-Q1590 PolarHBondContact O-N 3.44Å; Q1590-L1592 HydrophobicContact CB-CD1 4.19Å; Q1590-L1592 HydrophobicContact CB-CG 4.1Å; Q1590-L1592 PolarHBondContact O-N 3.33Å |
| 1591 | R | 67.3 | Low | 66.3 | Low | 235 Ų | 235 | 71.3 Ų | 71.3 | 89% | 0.887 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 31.6 | -177.8 | -55.4 | 179.1 | 177.5 | 171.6 | -0.5 | 114.2 | A1587 N1588 | A1587-R1591 PolarHBondContact O-N 2.87Å; N1588-R1591 PolarHBondContact O-N 3.22Å |
| 1592 | L | 68.5 | Low | 64.9 | Low | 42 Ų | 42 | 73.9 Ų | 73.9 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | trans | -75.3 | 139.8 | 173.5 | -64.1 | 168.5 | 0 | 0 | 0 | 110 | F1549 F1586 A1587 Q1590 L1594 | F1549-L1592 HydrophobicContact CD1-CD1 4.07Å; F1549-L1592 HydrophobicContact CE1-CD1 3.97Å; F1549-L1592 HydrophobicContact CZ-CD1 4.39Å; F1586-L1592 HydrophobicContact CE1-CD1 4.31Å; A1587-L1592 HydrophobicContact CB-CB 4.21Å; A1587-L1592 PolarHBondContact O-N 3.07Å; Q1590-L1592 HydrophobicContact CB-CD1 4.19Å; Q1590-L1592 HydrophobicContact CB-CG 4.1Å; Q1590-L1592 PolarHBondContact O-N 3.33Å; L1592-L1594 PolarHBondContact O-N 3.37Å | ||
| 1593 | T | 64.9 | Low | 63.6 | Low | 118 Ų | 118 | 80.4 Ų | 80.4 | 72% | 0.724 | 43% | 0.432 | S | S | * | . | trans | -69.7 | 112.5 | 176.1 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1594 | L | 60.2 | Low | 62.1 | Low | 60 Ų | 60 | 84.4 Ų | 84.4 | 31% | 0.314 | 45% | 0.448 | S | S | . | . | trans | -72.4 | 136.5 | 172.8 | -85.6 | 85.6 | 0 | 0 | 0 | 111.1 | L1553 C1584 A1587 L1592 | L1553-L1594 HydrophobicContact CD2-CD2 4.33Å; L1553-L1594 HydrophobicContact CD2-CG 4.17Å; C1584-L1594 HydrophobicContact CB-CD2 4.24Å; C1584-L1594 VanDerWaalsContact SG-CD2 3.57Å; A1587-L1594 HydrophobicContact CB-CD1 3.51Å; A1587-L1594 HydrophobicContact CB-CG 4.23Å; L1592-L1594 PolarHBondContact O-N 3.37Å | ||
| 1595 | P | 57.1 | Low | 60.7 | Low | 38 Ų | 38 | 90.6 Ų | 90.6 | 25% | 0.247 | 47% | 0.473 | C | S | . | . | trans | -58 | 135.8 | 165.3 | -18.4 | 30.1 | 0 | 0 | 0 | 110.7 | N1597 V1598 | P1595-N1597 PolarHBondContact O-N 3.03Å; P1595-V1598 PolarHBondContact O-N 3.45Å | ||
| 1596 | A | 54.3 | Low | 59.7 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 75% | 0.752 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -56 | -24.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1598 | A1596-V1598 VanDerWaalsContact C-N 3.31Å; A1596-V1598 PolarHBondContact O-N 3.45Å |
| 1597 | N | 55.7 | Low | 58.3 | Low | 123 Ų | 123 | 93.4 Ų | 93.4 | 66% | 0.658 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -71.5 | -20.4 | -175.2 | -42.3 | -13.3 | 0 | 0 | 0 | 113.4 | D1554 P1595 | D1554-N1597 PolarHBondContact OD1-ND2 3.13Å; P1595-N1597 PolarHBondContact O-N 3.03Å |
| 1598 | V | 55.1 | Low | 57 | Low | 3 Ų | 3 | 96 Ų | 96 | 2% | 0.018 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -101.7 | 1.5 | -170.2 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | L1553 I1580 P1595 A1596 M1600 | L1553-V1598 HydrophobicContact CD1-CG1 4.17Å; L1553-V1598 HydrophobicContact CD2-CG1 4.33Å; L1553-V1598 HydrophobicContact CG-CB 4.41Å; L1553-V1598 HydrophobicContact CG-CG1 3.95Å; L1553-V1598 HydrophobicContact CG-CG2 4.2Å; I1580-V1598 HydrophobicContact CG2-CG1 3.86Å; P1595-V1598 PolarHBondContact O-N 3.45Å; A1596-V1598 VanDerWaalsContact C-N 3.31Å; A1596-V1598 PolarHBondContact O-N 3.45Å; V1598-M1600 PolarHBondContact O-N 3.08Å |
| 1599 | A | 48.9 | Very low | 56.1 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | trans | -63.2 | 101.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1601 | A1599-P1601 VanDerWaalsContact O-CD 3.27Å; A1599-P1601 WeakPolarHBondContact O-CD 3.4Å | ||
| 1600 | M | 51.9 | Low | 55.4 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 30% | 0.296 | 50% | 0.496 | S | S | . | . | trans | -53.7 | 118.2 | 176.5 | -85.4 | -101.6 | 63.1 | 0 | 0 | 111 | M1577 V1598 Y1604 | M1577-M1600 HydrophobicContact CE-CE 3.82Å; M1577-M1600 HydrophobicContact CE-SD 3.25Å; M1577-M1600 WeakPolarHBondContact CE-SD 3.42Å; M1577-M1600 HydrophobicContact SD-CE 4.2Å; M1577-M1600 HydrophobicContact SD-SD 4Å; V1598-M1600 PolarHBondContact O-N 3.08Å; M1600-Y1604 HydrophobicContact CE-CG 4.46Å | ||
| 1601 | P | 53.2 | Low | 54.4 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | trans | -59.1 | 135 | 175.5 | -24 | 33.3 | 0 | 0 | 0 | 111 | A1599 E1603 Y1604 | A1599-P1601 VanDerWaalsContact O-CD 3.27Å; A1599-P1601 WeakPolarHBondContact O-CD 3.4Å; P1601-E1603 PolarHBondContact O-N 2.93Å; P1601-E1603 VanDerWaalsContact O-N 3.09Å; P1601-Y1604 PolarHBondContact O-N 3.36Å; P1601-Y1604 VanDerWaalsContact O-N 3.08Å | ||
| 1602 | P | 50.3 | Low | 53.1 | Low | 112 Ų | 112 | 91.2 Ų | 91.2 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -26.3 | -176 | 19.8 | -30.9 | 0 | 0 | 0 | 113.8 | Y1604 K1605 | P1602-Y1604 PolarHBondContact O-N 3.3Å; P1602-K1605 PolarHBondContact O-N 3.49Å |
| 1603 | E | 50.5 | Low | 52.1 | Low | 155 Ų | 155 | 98.6 Ų | 98.6 | 72% | 0.724 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60 | -31.2 | 176.9 | -66.3 | -176.4 | 158.6 | 0 | 0 | 113.5 | P1601 | P1601-E1603 PolarHBondContact O-N 2.93Å; P1601-E1603 VanDerWaalsContact O-N 3.09Å |
| 1604 | Y | 50.6 | Low | 51 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 33% | 0.333 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -76.6 | -33.5 | -179.6 | -96.5 | -84.7 | 0 | 0 | 0 | 113.1 | M1600 P1601 P1602 S1606 K1607 W1608 | M1600-Y1604 HydrophobicContact CE-CG 4.46Å; P1601-Y1604 PolarHBondContact O-N 3.36Å; P1601-Y1604 VanDerWaalsContact O-N 3.08Å; P1602-Y1604 PolarHBondContact O-N 3.3Å; Y1604-S1606 PolarHBondContact O-N 2.97Å; Y1604-K1607 PolarHBondContact O-N 3.02Å; Y1604-W1608 WeakPolarHBondContact O-CB 3.35Å; Y1604-W1608 PolarHBondContact O-N 3.1Å; Y1604-W1608 VanDerWaalsContact O-N 3.12Å |
| 1605 | K | 48.7 | Very low | 49.8 | Very low | 148 Ų | 148 | 100.5 Ų | 100.5 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55.9 | -38.5 | 174.3 | -114 | 179 | 178.9 | 176.5 | 0 | 111.5 | P1602 C1609 | P1602-K1605 PolarHBondContact O-N 3.49Å; K1605-C1609 PolarHBondContact O-N 3.11Å |
| 1606 | S | 56.3 | Low | 49 | Very low | 62 Ų | 62 | 103.7 Ų | 103.7 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -50.2 | 177.6 | 165.4 | 0 | 0 | 0 | 0 | 113.4 | Y1604 W1608 C1609 K1610 | Y1604-S1606 PolarHBondContact O-N 2.97Å; S1606-W1608 VanDerWaalsContact C-N 3.25Å; S1606-W1608 PolarHBondContact O-N 3.09Å; S1606-C1609 PolarHBondContact O-N 2.64Å; S1606-K1610 PolarHBondContact O-N 3.41Å |
| 1607 | K | 49.4 | Very low | 48.1 | Very low | 151 Ų | 151 | 106.7 Ų | 106.7 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -34.7 | 178.8 | -79.7 | 180 | 176.5 | 172 | 0 | 112.1 | Y1604 K1610 L1611 | Y1604-K1607 PolarHBondContact O-N 3.02Å; K1607-K1610 PolarHBondContact O-N 3.23Å; K1607-L1611 PolarHBondContact O-N 3.42Å; K1607-L1611 VanDerWaalsContact O-N 3.16Å |
| 1608 | W | 47.1 | Very low | 47.1 | Very low | 56 Ų | 56 | 105.2 Ų | 105.2 | 21% | 0.212 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -64.7 | -49 | 177.5 | -177.1 | -116.8 | 0 | 0 | 0 | 113.7 | F1574 M1577 Y1604 S1606 K1610 L1611 K1612 | F1574-W1608 HydrophobicContact CB-CH2 3.96Å; F1574-W1608 HydrophobicContact CB-CZ3 4.21Å; F1574-W1608 HydrophobicContact CD1-CH2 4.23Å; F1574-W1608 AromaticContact CD2-CH2 2.89Å; F1574-W1608 HydrophobicContact CD2-CH2 2.89Å; F1574-W1608 AromaticContact CD2-CZ2 3.66Å; F1574-W1608 HydrophobicContact CD2-CZ2 3.66Å; F1574-W1608 AromaticContact CD2-CZ3 3.4Å; F1574-W1608 HydrophobicContact CD2-CZ3 3.4Å; F1574-W1608 HydrophobicContact CE1-CH2 4.46Å; F1574-W1608 AromaticContact CE2-CH2 3.18Å; F1574-W1608 HydrophobicContact CE2-CH2 3.18Å; F1574-W1608 AromaticContact CE2-CZ2 3.39Å; F1574-W1608 HydrophobicContact CE2-CZ2 3.39Å; F1574-W1608 AromaticContact CE2-CZ3 3.97Å; F1574-W1608 HydrophobicContact CE2-CZ3 3.97Å; F1574-W1608 AromaticContact CG-CH2 3.45Å; F1574-W1608 HydrophobicContact CG-CH2 3.45Å; F1574-W1608 VanDerWaalsContact CG-CH2 3.45Å; F1574-W1608 HydrophobicContact CG-CZ2 4.37Å; F1574-W1608 HydrophobicContact CG-CZ3 4.07Å; F1574-W1608 AromaticContact CZ-CH2 3.98Å; F1574-W1608 HydrophobicContact CZ-CH2 3.98Å; F1574-W1608 AromaticContact CZ-CZ2 3.96Å; F1574-W1608 HydrophobicContact CZ-CZ2 3.96Å; M1577-W1608 HydrophobicContact CB-CH2 4.42Å; Y1604-W1608 WeakPolarHBondContact O-CB 3.35Å; Y1604-W1608 PolarHBondContact O-N 3.1Å; Y1604-W1608 VanDerWaalsContact O-N 3.12Å; S1606-W1608 VanDerWaalsContact C-N 3.25Å; S1606-W1608 PolarHBondContact O-N 3.09Å; W1608-K1610 PolarHBondContact O-N 3.08Å; W1608-L1611 PolarHBondContact O-N 3.21Å; W1608-K1612 PolarHBondContact O-N 3.45Å; W1608-K1612 VanDerWaalsContact O-N 3.16Å |
| 1609 | C | 52.1 | Low | 46.1 | Very low | 73 Ų | 73 | 109.2 Ų | 109.2 | 49% | 0.493 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.4 | -33.6 | 176.6 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | K1605 S1606 R1613 | K1605-C1609 PolarHBondContact O-N 3.11Å; S1606-C1609 PolarHBondContact O-N 2.64Å; C1609-R1613 WeakPolarHBondContact O-CG 3.48Å; C1609-R1613 PolarHBondContact O-N 3.08Å |
| 1610 | K | 56.4 | Low | 45.4 | Very low | 144 Ų | 144 | 112.8 Ų | 112.8 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.9 | -43.7 | 175.6 | -70.8 | -178.5 | 179 | -176.3 | 0 | 112.3 | S1606 K1607 W1608 K1612 R1613 A1614 | S1606-K1610 PolarHBondContact O-N 3.41Å; K1607-K1610 PolarHBondContact O-N 3.23Å; W1608-K1610 PolarHBondContact O-N 3.08Å; K1610-K1612 VanDerWaalsContact C-N 3.35Å; K1610-K1612 PolarHBondContact O-N 2.96Å; K1610-R1613 PolarHBondContact O-N 2.83Å; K1610-A1614 WeakPolarHBondContact O-CB 3.36Å; K1610-A1614 PolarHBondContact O-N 3.36Å |
| 1611 | L | 44.3 | Very low | 44.3 | Very low | 106 Ų | 106 | 112 Ų | 112 | 56% | 0.555 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.5 | -41.2 | 178.6 | -144.1 | 85.5 | 0 | 0 | 0 | 111.9 | K1607 W1608 A1614 K1615 | K1607-L1611 PolarHBondContact O-N 3.42Å; K1607-L1611 VanDerWaalsContact O-N 3.16Å; W1608-L1611 PolarHBondContact O-N 3.21Å; L1611-A1614 PolarHBondContact O-N 3Å; L1611-K1615 PolarHBondContact O-N 2.9Å |
| 1612 | K | 40 | Very low | 43.3 | Very low | 144 Ų | 144 | 113.5 Ų | 113.5 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -38 | 177.5 | -158.6 | 175.2 | -174.5 | 177.1 | 0 | 112.3 | W1608 K1610 | W1608-K1612 PolarHBondContact O-N 3.45Å; W1608-K1612 VanDerWaalsContact O-N 3.16Å; K1610-K1612 VanDerWaalsContact C-N 3.35Å; K1610-K1612 PolarHBondContact O-N 2.96Å |
| 1613 | R | 46.4 | Very low | 42.5 | Very low | 197 Ų | 197 | 115.9 Ų | 115.9 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.9 | -40.4 | 175.4 | -76.8 | -179.6 | 177.7 | 172.7 | 0.1 | 112.8 | C1609 K1610 K1615 N1616 F1617 | C1609-R1613 WeakPolarHBondContact O-CG 3.48Å; C1609-R1613 PolarHBondContact O-N 3.08Å; K1610-R1613 PolarHBondContact O-N 2.83Å; R1613-K1615 PolarHBondContact O-N 3.2Å; R1613-N1616 PolarHBondContact O-N 3.49Å; R1613-F1617 WeakPolarHBondContact O-CB 3.13Å; R1613-F1617 PolarHBondContact O-N 2.94Å |
| 1614 | A | 42 | Very low | 41.4 | Very low | 53 Ų | 53 | 115.3 Ų | 115.3 | 44% | 0.438 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -42.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1610 L1611 N1616 F1617 V1618 | K1610-A1614 WeakPolarHBondContact O-CB 3.36Å; K1610-A1614 PolarHBondContact O-N 3.36Å; L1611-A1614 PolarHBondContact O-N 3Å; A1614-N1616 VanDerWaalsContact C-N 3.3Å; A1614-N1616 PolarHBondContact O-N 2.94Å; A1614-F1617 PolarHBondContact O-N 3.28Å; A1614-V1618 WeakPolarHBondContact O-CG2 2.84Å; A1614-V1618 PolarHBondContact O-N 3.38Å |
| 1615 | K | 35.3 | Very low | 40.5 | Very low | 166 Ų | 166 | 115.3 Ų | 115.3 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -41 | 177.3 | -158.9 | 178.8 | -177.2 | -177.5 | 0 | 112.1 | L1611 R1613 T1619 | L1611-K1615 PolarHBondContact O-N 2.9Å; R1613-K1615 PolarHBondContact O-N 3.2Å; K1615-T1619 PolarHBondContact O-OG1 3.14Å; K1615-T1619 VanDerWaalsContact O-OG1 3.08Å |
| 1616 | N | 39.9 | Very low | 39.7 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.4 | -33.2 | 178.7 | -70.7 | -3.8 | 0 | 0 | 0 | 113.3 | R1613 A1614 T1619 K1620 | R1613-N1616 PolarHBondContact O-N 3.49Å; A1614-N1616 VanDerWaalsContact C-N 3.3Å; A1614-N1616 PolarHBondContact O-N 2.94Å; N1616-T1619 PolarHBondContact O-OG1 3.42Å; N1616-K1620 PolarHBondContact O-N 2.98Å |
| 1617 | F | 35.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 127 Ų | 127 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.9 | -43.5 | 179.1 | -174.6 | -96.7 | 0 | 0 | 0 | 111.7 | R1613 A1614 T1619 K1620 A1621 | R1613-F1617 WeakPolarHBondContact O-CB 3.13Å; R1613-F1617 PolarHBondContact O-N 2.94Å; A1614-F1617 PolarHBondContact O-N 3.28Å; F1617-T1619 PolarHBondContact O-N 3.26Å; F1617-K1620 PolarHBondContact O-N 2.87Å; F1617-A1621 HydrophobicContact CD1-CB 4.44Å; F1617-A1621 HydrophobicContact CE1-CB 4.22Å; F1617-A1621 VanDerWaalsContact O-CB 3.31Å; F1617-A1621 WeakPolarHBondContact O-CB 3.42Å; F1617-A1621 PolarHBondContact O-N 3.31Å |
| 1618 | V | 34.9 | Very low | 37.4 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61.1 | -42 | -179.8 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | A1614 K1620 T1622 | A1614-V1618 WeakPolarHBondContact O-CG2 2.84Å; A1614-V1618 PolarHBondContact O-N 3.38Å; V1618-K1620 VanDerWaalsContact C-N 3.34Å; V1618-K1620 PolarHBondContact O-N 2.96Å; V1618-T1622 PolarHBondContact O-N 3.02Å; V1618-T1622 PolarHBondContact O-OG1 3.43Å; V1618-T1622 VanDerWaalsContact O-OG1 3.07Å |
| 1619 | T | 35.6 | Very low | 37 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65 | -32.4 | 176.4 | 32.2 | 0 | 0 | 0 | 0 | 114.2 | K1615 N1616 F1617 T1622 | K1615-T1619 PolarHBondContact O-OG1 3.14Å; K1615-T1619 VanDerWaalsContact O-OG1 3.08Å; N1616-T1619 PolarHBondContact O-OG1 3.42Å; F1617-T1619 PolarHBondContact O-N 3.26Å; T1619-T1622 PolarHBondContact O-OG1 3.35Å; T1619-T1622 VanDerWaalsContact O-OG1 3.11Å |
| 1620 | K | 32.5 | Very low | 36.2 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.9 | -33.5 | 179.7 | -77.3 | -174 | 174.4 | -174.5 | 0 | 112.7 | N1616 F1617 V1618 T1622 Q1623 | N1616-K1620 PolarHBondContact O-N 2.98Å; F1617-K1620 PolarHBondContact O-N 2.87Å; V1618-K1620 VanDerWaalsContact C-N 3.34Å; V1618-K1620 PolarHBondContact O-N 2.96Å; K1620-T1622 VanDerWaalsContact C-N 3.34Å; K1620-T1622 PolarHBondContact O-N 3.5Å; K1620-Q1623 PolarHBondContact O-N 2.94Å |
| 1621 | A | 29.2 | Very low | 35.7 | Very low | 44 Ų | 44 | 130.9 Ų | 130.9 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.7 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1617 Q1623 L1624 | F1617-A1621 HydrophobicContact CD1-CB 4.44Å; F1617-A1621 HydrophobicContact CE1-CB 4.22Å; F1617-A1621 VanDerWaalsContact O-CB 3.31Å; F1617-A1621 WeakPolarHBondContact O-CB 3.42Å; F1617-A1621 PolarHBondContact O-N 3.31Å; A1621-Q1623 VanDerWaalsContact C-N 3.27Å; A1621-Q1623 PolarHBondContact O-N 3.08Å; A1621-L1624 PolarHBondContact O-N 3.35Å |
| 1622 | T | 32.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66 | -24.3 | 175.4 | 38.8 | 0 | 0 | 0 | 0 | 114.2 | V1618 T1619 K1620 | V1618-T1622 PolarHBondContact O-N 3.02Å; V1618-T1622 PolarHBondContact O-OG1 3.43Å; V1618-T1622 VanDerWaalsContact O-OG1 3.07Å; T1619-T1622 PolarHBondContact O-OG1 3.35Å; T1619-T1622 VanDerWaalsContact O-OG1 3.11Å; K1620-T1622 VanDerWaalsContact C-N 3.34Å; K1620-T1622 PolarHBondContact O-N 3.5Å |
| 1623 | Q | 33.4 | Very low | 37.2 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87.3 | -24.4 | 179.2 | -77.4 | -176.7 | -19.4 | 0 | 0 | 113.9 | K1620 A1621 | K1620-Q1623 PolarHBondContact O-N 2.94Å; A1621-Q1623 VanDerWaalsContact C-N 3.27Å; A1621-Q1623 PolarHBondContact O-N 3.08Å |
| 1624 | L | 28 | Very low | 38.3 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -89.6 | -19.3 | -175.2 | -76.1 | 167.1 | 0 | 0 | 0 | 114.2 | A1621 R1626 | A1621-L1624 PolarHBondContact O-N 3.35Å; L1624-R1626 VanDerWaalsContact C-N 3.27Å; L1624-R1626 PolarHBondContact O-N 2.97Å |
| 1625 | S | 30.5 | Very low | 39.6 | Very low | 86 Ų | 86 | 117.6 Ų | 117.6 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 2.2 | -173 | -131.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1626 | R | 32.5 | Very low | 41.3 | Very low | 218 Ų | 218 | 113.2 Ų | 113.2 | 82% | 0.823 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 7.2 | -175.7 | -86 | -174.1 | 171.6 | -177.2 | -3.5 | 115.9 | L1624 | L1624-R1626 VanDerWaalsContact C-N 3.27Å; L1624-R1626 PolarHBondContact O-N 2.97Å |
| 1627 | R | 29.3 | Very low | 42.8 | Very low | 238 Ų | 238 | 108.4 Ų | 108.4 | 90% | 0.898 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -105.9 | -3.2 | -168.8 | -116.3 | -178.7 | -171.3 | 179.9 | -0.3 | 117 | ||
| 1628 | M | 27.9 | Very low | 45 | Very low | 184 Ų | 184 | 101.5 Ų | 101.5 | 91% | 0.906 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -141 | 72.4 | 176.9 | -79.5 | -160.8 | 123.5 | 0 | 0 | 109.3 | ||
| 1629 | Q | 39.1 | Very low | 47.1 | Very low | 111 Ų | 111 | 103.1 Ų | 103.1 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | trans | -142 | 115.9 | 174 | -70 | -170.8 | -31.6 | 0 | 0 | 109.8 | Y1631 | Q1629-Y1631 PolarHBondContact O-N 3.07Š| ||
| 1630 | E | 36.3 | Very low | 49.1 | Very low | 136 Ų | 136 | 101.6 Ų | 101.6 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | trans | -35 | 127.3 | 145.1 | -64.8 | 161.3 | -176.5 | 0 | 0 | 108.7 | N1632 | E1630-N1632 PolarHBondContact O-N 3.5Š| ||
| 1631 | Y | 45.8 | Very low | 51.3 | Low | 73 Ų | 73 | 94.5 Ų | 94.5 | 29% | 0.286 | 46% | 0.46 | S | S | . | . | trans | -66.1 | 109.2 | -174.1 | -59.2 | -76.4 | 0 | 0 | 0 | 109.4 | F1031 L1034 Q1629 S1633 E1636 C1637 E1640 | F1031-Y1631 WeakPolarHBondContact CD2-O 3.44Å; L1034-Y1631 HydrophobicContact CD1-CD2 3.94Å; L1034-Y1631 HydrophobicContact CD1-CE2 3.53Å; Q1629-Y1631 PolarHBondContact O-N 3.07Å; Y1631-S1633 PolarHBondContact O-N 3.41Å; Y1631-E1636 HydrophobicContact CD1-CB 4.15Å; Y1631-C1637 HydrophobicContact CG-CB 4.48Å; Y1631-E1640 HydrophobicContact CE1-CB 4.29Å | ||
| 1632 | N | 51.3 | Low | 53.8 | Low | 94 Ų | 94 | 92.7 Ų | 92.7 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | trans | -78.9 | -8.6 | -177.4 | -67.2 | -53.5 | 0 | 0 | 0 | 112.3 | M1028 E1630 | M1028-N1632 WeakPolarHBondContact CE-O 3.29Å; E1630-N1632 PolarHBondContact O-N 3.5Å | ||
| 1633 | S | 64.3 | Low | 56.1 | Low | 37 Ų | 37 | 89.6 Ų | 89.6 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -143.5 | 147.5 | -178.3 | 73.8 | 0 | 0 | 0 | 0 | 113 | Y1631 I1635 E1636 C1637 | Y1631-S1633 PolarHBondContact O-N 3.41Å; S1633-I1635 PolarHBondContact O-N 3.44Å; S1633-I1635 VanDerWaalsContact O-N 3.17Å; S1633-E1636 PolarHBondContact O-N 2.91Å; S1633-E1636 WeakPolarHBondContact OG-CG 3.17Å; S1633-E1636 PolarHBondContact OG-N 3.45Å; S1633-C1637 PolarHBondContact O-N 3.26Å |
| 1634 | V | 68.3 | Low | 58.4 | Low | 28 Ų | 28 | 86.2 Ų | 86.2 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55.3 | -30.7 | 171.7 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | W850 F1031 L1121 F1638 | W850-V1634 HydrophobicContact CD2-CG1 4.17Å; W850-V1634 HydrophobicContact CE3-CG1 4.09Å; W850-V1634 HydrophobicContact CH2-CG1 3.51Å; W850-V1634 HydrophobicContact CZ2-CG1 3.63Å; W850-V1634 HydrophobicContact CZ3-CG1 3.76Å; F1031-V1634 HydrophobicContact CZ-CG2 4.03Å; L1121-V1634 HydrophobicContact CD2-CG1 3.71Å; V1634-F1638 WeakPolarHBondContact O-CB 3.41Å; V1634-F1638 PolarHBondContact O-N 3.09Å |
| 1635 | I | 70.1 | Confident | 60.9 | Low | 63 Ų | 63 | 79.4 Ų | 79.4 | 32% | 0.323 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -44.4 | -177.2 | -59.1 | 173.4 | 0 | 0 | 0 | 111.3 | V1123 S1633 C1637 F1638 Q1639 | V1123-I1635 HydrophobicContact CG2-CG1 4.3Å; S1633-I1635 PolarHBondContact O-N 3.44Å; S1633-I1635 VanDerWaalsContact O-N 3.17Å; I1635-C1637 VanDerWaalsContact C-N 3.35Å; I1635-F1638 PolarHBondContact O-N 3Å; I1635-Q1639 WeakPolarHBondContact O-CG 3.43Å; I1635-Q1639 PolarHBondContact O-N 3.13Å |
| 1636 | E | 70.3 | Confident | 63.5 | Low | 74 Ų | 74 | 76.8 Ų | 76.8 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 177 | -71.5 | 172.3 | 157.6 | 0 | 0 | 110.8 | Y1631 S1633 F1638 Q1639 E1640 | Y1631-E1636 HydrophobicContact CD1-CB 4.15Å; S1633-E1636 PolarHBondContact O-N 2.91Å; S1633-E1636 WeakPolarHBondContact OG-CG 3.17Å; S1633-E1636 PolarHBondContact OG-N 3.45Å; E1636-F1638 PolarHBondContact O-N 3.2Å; E1636-Q1639 PolarHBondContact O-N 3.12Å; E1636-E1640 PolarHBondContact O-N 3.33Å |
| 1637 | C | 73.2 | Confident | 65.7 | Low | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | Y1631 S1633 I1635 Q1639 E1640 I1641 | Y1631-C1637 HydrophobicContact CG-CB 4.48Å; S1633-C1637 PolarHBondContact O-N 3.26Å; I1635-C1637 VanDerWaalsContact C-N 3.35Å; C1637-Q1639 PolarHBondContact O-N 2.86Å; C1637-E1640 PolarHBondContact O-N 2.85Å; C1637-I1641 VanDerWaalsContact O-CG1 3.27Å; C1637-I1641 WeakPolarHBondContact O-CG1 3.41Å; C1637-I1641 PolarHBondContact O-N 2.69Å |
| 1638 | F | 81.3 | Confident | 68.2 | Low | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.1 | 173.9 | -102.6 | 0 | 0 | 0 | 112.8 | L1013 I1016 L1116 V1119 V1634 I1635 E1636 E1640 I1641 V1642 | L1013-F1638 HydrophobicContact CD2-CD2 4Å; L1013-F1638 HydrophobicContact CD2-CE2 3.51Å; L1013-F1638 HydrophobicContact CD2-CZ 4.23Å; I1016-F1638 HydrophobicContact CD1-CD2 3.92Å; I1016-F1638 HydrophobicContact CD1-CE2 4.27Å; L1116-F1638 HydrophobicContact CD2-CE2 4.26Å; L1116-F1638 HydrophobicContact CD2-CZ 4.14Å; V1119-F1638 HydrophobicContact CB-CE1 4.24Å; V1119-F1638 HydrophobicContact CB-CZ 4.04Å; V1119-F1638 HydrophobicContact CG1-CE1 4.38Å; V1119-F1638 HydrophobicContact CG1-CZ 4.14Å; V1634-F1638 WeakPolarHBondContact O-CB 3.41Å; V1634-F1638 PolarHBondContact O-N 3.09Å; I1635-F1638 PolarHBondContact O-N 3Å; E1636-F1638 PolarHBondContact O-N 3.2Å; F1638-E1640 VanDerWaalsContact C-N 3.34Å; F1638-E1640 PolarHBondContact O-N 3.24Å; F1638-I1641 PolarHBondContact O-N 3.43Å; F1638-V1642 HydrophobicContact CD1-CG2 4.34Å; F1638-V1642 HydrophobicContact CD2-CG2 4.23Å; F1638-V1642 HydrophobicContact CE1-CG2 3.91Å; F1638-V1642 HydrophobicContact CE2-CG2 3.77Å; F1638-V1642 HydrophobicContact CG-CG2 4.5Å; F1638-V1642 HydrophobicContact CZ-CG2 3.59Å; F1638-V1642 WeakPolarHBondContact O-CG2 3.46Å; F1638-V1642 PolarHBondContact O-N 3.22Å |
| 1639 | Q | 78.6 | Confident | 70.8 | Confident | 127 Ų | 127 | 52.4 Ų | 52.4 | 59% | 0.593 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | -180 | -73.3 | 179.4 | -5.7 | 0 | 0 | 112.3 | I1635 E1636 C1637 V1642 S1643 | I1635-Q1639 WeakPolarHBondContact O-CG 3.43Å; I1635-Q1639 PolarHBondContact O-N 3.13Å; E1636-Q1639 PolarHBondContact O-N 3.12Å; C1637-Q1639 PolarHBondContact O-N 2.86Å; Q1639-V1642 PolarHBondContact O-N 3.46Å; Q1639-S1643 PolarHBondContact O-N 3.49Å |
| 1640 | E | 77.4 | Confident | 72.9 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 174.6 | -175.5 | 66.1 | -165.4 | 0 | 0 | 111.1 | Y1631 E1636 C1637 F1638 V1642 S1643 R1644 | Y1631-E1640 HydrophobicContact CE1-CB 4.29Å; E1636-E1640 PolarHBondContact O-N 3.33Å; C1637-E1640 PolarHBondContact O-N 2.85Å; F1638-E1640 VanDerWaalsContact C-N 3.34Å; F1638-E1640 PolarHBondContact O-N 3.24Å; E1640-V1642 VanDerWaalsContact C-N 3.31Å; E1640-V1642 PolarHBondContact O-N 2.93Å; E1640-S1643 WeakPolarHBondContact O-CB 3.32Å; E1640-S1643 PolarHBondContact O-N 2.97Å; E1640-S1643 VanDerWaalsContact O-N 3.08Å; E1640-R1644 WeakPolarHBondContact O-CG 3.35Å; E1640-R1644 PolarHBondContact O-N 3.06Å; E1640-R1644 IonicContact OE1-CZ 2.72Å; E1640-R1644 IonicContact OE1-NE 2.96Å; E1640-R1644 PolarHBondContact OE1-NE 3.15Å; E1640-R1644 IonicContact OE1-NH2 3.9Å; E1640-R1644 PolarHBondContact OE1-NH2 2.98Å |
| 1641 | I | 79.2 | Confident | 74.9 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 175.6 | -68 | 167 | 0 | 0 | 0 | 110.9 | I1016 Y1020 L1034 C1637 F1638 S1643 R1644 L1645 | I1016-I1641 HydrophobicContact CD1-CD1 4.3Å; I1016-I1641 HydrophobicContact CD1-CG2 4.09Å; I1016-I1641 HydrophobicContact CG1-CD1 4.24Å; I1016-I1641 HydrophobicContact CG2-CD1 4.13Å; Y1020-I1641 HydrophobicContact CD2-CD1 4.39Å; Y1020-I1641 HydrophobicContact CE2-CD1 3.97Å; L1034-I1641 HydrophobicContact CD2-CD1 4.08Å; L1034-I1641 HydrophobicContact CD2-CG1 3.41Å; L1034-I1641 VanDerWaalsContact CD2-CG1 3.41Å; C1637-I1641 VanDerWaalsContact O-CG1 3.27Å; C1637-I1641 WeakPolarHBondContact O-CG1 3.41Å; C1637-I1641 PolarHBondContact O-N 2.69Å; F1638-I1641 PolarHBondContact O-N 3.43Å; I1641-S1643 VanDerWaalsContact C-N 3.32Å; I1641-S1643 PolarHBondContact O-N 2.74Å; I1641-R1644 PolarHBondContact O-N 2.84Å; I1641-L1645 HydrophobicContact CG2-CD1 3.89Å; I1641-L1645 HydrophobicContact CG2-CG 4.23Å; I1641-L1645 WeakPolarHBondContact O-CB 3.3Å; I1641-L1645 WeakPolarHBondContact O-CG 3.45Å; I1641-L1645 PolarHBondContact O-N 3.38Å |
| 1642 | V | 81.3 | Confident | 76.5 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 177 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L1116 K1117 F1638 Q1639 E1640 R1644 L1645 D1646 | L1116-V1642 HydrophobicContact CB-CG1 3.97Å; L1116-V1642 HydrophobicContact CB-CG2 3.91Å; L1116-V1642 HydrophobicContact CD1-CG2 4.47Å; K1117-V1642 HydrophobicContact CG-CG1 3.77Å; F1638-V1642 HydrophobicContact CD1-CG2 4.34Å; F1638-V1642 HydrophobicContact CD2-CG2 4.23Å; F1638-V1642 HydrophobicContact CE1-CG2 3.91Å; F1638-V1642 HydrophobicContact CE2-CG2 3.77Å; F1638-V1642 HydrophobicContact CG-CG2 4.5Å; F1638-V1642 HydrophobicContact CZ-CG2 3.59Å; F1638-V1642 WeakPolarHBondContact O-CG2 3.46Å; F1638-V1642 PolarHBondContact O-N 3.22Å; Q1639-V1642 PolarHBondContact O-N 3.46Å; E1640-V1642 VanDerWaalsContact C-N 3.31Å; E1640-V1642 PolarHBondContact O-N 2.93Å; V1642-R1644 VanDerWaalsContact C-N 3.35Å; V1642-L1645 PolarHBondContact O-N 2.92Å; V1642-D1646 WeakPolarHBondContact O-CB 3.38Å; V1642-D1646 PolarHBondContact O-N 3.36Å |
| 1643 | S | 80 | Confident | 77.8 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.4 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | Q1639 E1640 I1641 D1646 D1647 | Q1639-S1643 PolarHBondContact O-N 3.49Å; E1640-S1643 WeakPolarHBondContact O-CB 3.32Å; E1640-S1643 PolarHBondContact O-N 2.97Å; E1640-S1643 VanDerWaalsContact O-N 3.08Å; I1641-S1643 VanDerWaalsContact C-N 3.32Å; I1641-S1643 PolarHBondContact O-N 2.74Å; S1643-D1646 WeakPolarHBondContact O-CB 3.45Å; S1643-D1646 PolarHBondContact O-N 2.9Å; S1643-D1647 PolarHBondContact O-N 2.88Å |
| 1644 | R | 81 | Confident | 78.6 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.2 | -39.4 | 177.3 | -64.4 | -63.7 | 176.2 | 111.9 | 2.8 | 112.5 | D1036 I1039 E1640 I1641 V1642 D1646 D1647 L1648 | D1036-R1644 IonicContact OD1-NH1 2.76Å; D1036-R1644 PolarHBondContact OD1-NH1 3.3Å; I1039-R1644 HydrophobicContact CD1-CB 3.96Å; I1039-R1644 HydrophobicContact CD1-CG 4.14Å; I1039-R1644 HydrophobicContact CG2-CB 4.38Å; E1640-R1644 WeakPolarHBondContact O-CG 3.35Å; E1640-R1644 PolarHBondContact O-N 3.06Å; E1640-R1644 IonicContact OE1-CZ 2.72Å; E1640-R1644 IonicContact OE1-NE 2.96Å; E1640-R1644 PolarHBondContact OE1-NE 3.15Å; E1640-R1644 IonicContact OE1-NH2 3.9Å; E1640-R1644 PolarHBondContact OE1-NH2 2.98Å; I1641-R1644 PolarHBondContact O-N 2.84Å; V1642-R1644 VanDerWaalsContact C-N 3.35Å; R1644-D1646 VanDerWaalsContact C-N 3.31Å; R1644-D1646 PolarHBondContact O-N 3.25Å; R1644-D1647 PolarHBondContact O-N 3.41Å; R1644-L1648 WeakPolarHBondContact O-CG 3.44Å; R1644-L1648 PolarHBondContact O-N 3.27Å |
| 1645 | L | 81.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 173.4 | -74.5 | 173.4 | 0 | 0 | 0 | 111.8 | V1012 I1039 L1042 A1043 I1113 L1116 I1641 V1642 L1648 F1649 | V1012-L1645 HydrophobicContact CG1-CD1 4.45Å; I1039-L1645 HydrophobicContact CG2-CD2 3.82Å; I1039-L1645 HydrophobicContact CG2-CG 4.15Å; L1042-L1645 HydrophobicContact CD2-CD1 4.21Å; L1042-L1645 HydrophobicContact CD2-CD2 4.13Å; A1043-L1645 HydrophobicContact CB-CD2 4Å; I1113-L1645 HydrophobicContact CD1-CB 3.84Å; L1116-L1645 HydrophobicContact CD1-CD1 4.45Å; I1641-L1645 HydrophobicContact CG2-CD1 3.89Å; I1641-L1645 HydrophobicContact CG2-CG 4.23Å; I1641-L1645 WeakPolarHBondContact O-CB 3.3Å; I1641-L1645 WeakPolarHBondContact O-CG 3.45Å; I1641-L1645 PolarHBondContact O-N 3.38Å; V1642-L1645 PolarHBondContact O-N 2.92Å; L1645-L1648 PolarHBondContact O-N 3.21Å; L1645-F1649 HydrophobicContact CB-CD2 4.47Å; L1645-F1649 HydrophobicContact CB-CE2 4.4Å; L1645-F1649 HydrophobicContact CD2-CE2 4.25Å; L1645-F1649 HydrophobicContact CD2-CZ 4.37Å; L1645-F1649 WeakPolarHBondContact O-CB 3.36Å; L1645-F1649 WeakPolarHBondContact O-CD2 3.47Å; L1645-F1649 WeakPolarHBondContact O-CG 3.35Å; L1645-F1649 PolarHBondContact O-N 3.01Å |
| 1646 | D | 84.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 173.4 | -172 | 19.5 | 0 | 0 | 0 | 110.6 | I1113 K1117 V1642 S1643 R1644 L1648 F1649 K1650 | I1113-D1646 HydrophobicContact CD1-CB 4.17Å; I1113-D1646 HydrophobicContact CG1-CB 4.48Å; I1113-D1646 HydrophobicContact CG2-CB 3.87Å; K1117-D1646 IonicContact NZ-OD2 3.64Å; K1117-D1646 PolarHBondContact NZ-OD2 3.16Å; V1642-D1646 WeakPolarHBondContact O-CB 3.38Å; V1642-D1646 PolarHBondContact O-N 3.36Å; S1643-D1646 WeakPolarHBondContact O-CB 3.45Å; S1643-D1646 PolarHBondContact O-N 2.9Å; R1644-D1646 VanDerWaalsContact C-N 3.31Å; R1644-D1646 PolarHBondContact O-N 3.25Å; D1646-L1648 VanDerWaalsContact C-N 3.33Å; D1646-L1648 PolarHBondContact O-N 3.28Å; D1646-F1649 PolarHBondContact O-N 2.96Å; D1646-K1650 VanDerWaalsContact O-CG 3.25Å; D1646-K1650 WeakPolarHBondContact O-CG 3.38Å; D1646-K1650 PolarHBondContact O-N 3.27Å; D1646-K1650 WeakPolarHBondContact OD1-CE 3.33Å |
| 1647 | D | 79 | Confident | 80.3 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 177.4 | -69.9 | -23.5 | 0 | 0 | 0 | 112.6 | S1643 R1644 K1650 R1926 | S1643-D1647 PolarHBondContact O-N 2.88Å; R1644-D1647 PolarHBondContact O-N 3.41Å; D1647-K1650 IonicContact OD1-NZ 3.72Å; D1647-K1650 PolarHBondContact OD1-NZ 3.43Å; D1647-R1926 IonicContact OD2-NH2 3.52Å; D1647-R1926 PolarHBondContact OD2-NH2 3.1Å |
| 1648 | L | 81.1 | Confident | 80.8 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.356 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -73.8 | -35.8 | 176.2 | -74.2 | 167.4 | 0 | 0 | 0 | 113.9 | I1039 R1644 L1645 D1646 | I1039-L1648 HydrophobicContact CB-CD1 4.31Å; I1039-L1648 HydrophobicContact CG2-CD1 3.61Å; R1644-L1648 WeakPolarHBondContact O-CG 3.44Å; R1644-L1648 PolarHBondContact O-N 3.27Å; L1645-L1648 PolarHBondContact O-N 3.21Å; D1646-L1648 VanDerWaalsContact C-N 3.33Å; D1646-L1648 PolarHBondContact O-N 3.28Å |
| 1649 | F | 83.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -84.6 | -19.9 | -178.3 | -73.6 | -33.8 | 0 | 0 | 0 | 113.8 | A1043 I1046 F1047 R1109 L1112 I1113 L1645 D1646 M1652 A1653 | A1043-F1649 HydrophobicContact CB-CE1 3.71Å; A1043-F1649 HydrophobicContact CB-CZ 3.86Å; I1046-F1649 HydrophobicContact CD1-CZ 4.13Å; F1047-F1649 HydrophobicContact CD2-CE1 4.08Å; F1047-F1649 HydrophobicContact CD2-CZ 4.1Å; F1047-F1649 AromaticContact CE2-CE1 3.79Å; F1047-F1649 HydrophobicContact CE2-CE1 3.79Å; F1047-F1649 HydrophobicContact CE2-CE2 4.16Å; F1047-F1649 AromaticContact CE2-CZ 3.59Å; F1047-F1649 HydrophobicContact CE2-CZ 3.59Å; R1109-F1649 HydrophobicContact CB-CB 4.33Å; R1109-F1649 HydrophobicContact CB-CG 4.47Å; L1112-F1649 HydrophobicContact CD2-CE2 4.29Å; I1113-F1649 HydrophobicContact CD1-CD2 3.83Å; I1113-F1649 HydrophobicContact CD1-CE2 4.43Å; I1113-F1649 HydrophobicContact CG1-CD2 3.95Å; L1645-F1649 HydrophobicContact CB-CD2 4.47Å; L1645-F1649 HydrophobicContact CB-CE2 4.4Å; L1645-F1649 HydrophobicContact CD2-CE2 4.25Å; L1645-F1649 HydrophobicContact CD2-CZ 4.37Å; L1645-F1649 WeakPolarHBondContact O-CB 3.36Å; L1645-F1649 WeakPolarHBondContact O-CD2 3.47Å; L1645-F1649 WeakPolarHBondContact O-CG 3.35Å; L1645-F1649 PolarHBondContact O-N 3.01Å; D1646-F1649 PolarHBondContact O-N 2.96Å; F1649-M1652 CarbonylContact O-C 3.6Å; F1649-M1652 PolarHBondContact O-N 2.92Å; F1649-M1652 VanDerWaalsContact O-N 3.16Å; F1649-A1653 WeakPolarHBondContact O-CB 3.29Å; F1649-A1653 PolarHBondContact O-N 3.05Å |
| 1650 | K | 81.5 | Confident | 81 | Confident | 93 Ų | 93 | 34.3 Ų | 34.3 | 40% | 0.404 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -49.9 | -51.4 | 178.3 | -85.9 | 167.1 | -165.6 | 168.2 | 0 | 114 | D1646 D1647 M1652 A1653 I1654 | D1646-K1650 VanDerWaalsContact O-CG 3.25Å; D1646-K1650 WeakPolarHBondContact O-CG 3.38Å; D1646-K1650 PolarHBondContact O-N 3.27Å; D1646-K1650 WeakPolarHBondContact OD1-CE 3.33Å; D1647-K1650 IonicContact OD1-NZ 3.72Å; D1647-K1650 PolarHBondContact OD1-NZ 3.43Å; K1650-M1652 VanDerWaalsContact C-N 3.34Å; K1650-M1652 PolarHBondContact O-N 3.42Å; K1650-A1653 PolarHBondContact O-N 3.34Å; K1650-I1654 WeakPolarHBondContact O-CG1 3.3Å; K1650-I1654 PolarHBondContact O-N 2.78Å |
| 1651 | P | 79.5 | Confident | 81.2 | Confident | 26 Ų | 26 | 32 Ų | 32 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 178.7 | -21.4 | 32.7 | 0 | 0 | 0 | 112.6 | I1654 A1655 L1727 I1728 | P1651-I1654 PolarHBondContact O-N 2.85Å; P1651-A1655 WeakPolarHBondContact O-CB 3.2Å; P1651-A1655 PolarHBondContact O-N 2.94Å; P1651-L1727 HydrophobicContact CB-CD2 4.24Å; P1651-L1727 HydrophobicContact CB-CG 4.39Å; P1651-L1727 HydrophobicContact CG-CD2 4.05Å; P1651-I1728 HydrophobicContact CB-CG1 4Å |
| 1652 | M | 79.2 | Confident | 81.3 | Confident | 42 Ų | 42 | 32 Ų | 32 | 21% | 0.207 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.7 | -35.9 | 177.2 | -75 | -170.9 | 180 | 0 | 0 | 112.6 | R1109 F1649 K1650 A1655 E1656 C1731 | R1109-M1652 PolarHBondContact NH2-SD 3.49Å; R1109-M1652 VanDerWaalsContact NH2-SD 3.36Å; F1649-M1652 CarbonylContact O-C 3.6Å; F1649-M1652 PolarHBondContact O-N 2.92Å; F1649-M1652 VanDerWaalsContact O-N 3.16Å; K1650-M1652 VanDerWaalsContact C-N 3.34Å; K1650-M1652 PolarHBondContact O-N 3.42Å; M1652-A1655 CarbonylContact O-C 3.52Å; M1652-A1655 WeakPolarHBondContact O-CB 3.32Å; M1652-A1655 PolarHBondContact O-N 2.93Å; M1652-E1656 WeakPolarHBondContact O-CG 3.49Å; M1652-E1656 PolarHBondContact O-N 3.29Å; M1652-C1731 HydrophobicContact CG-CB 4.3Å |
| 1653 | A | 79.3 | Confident | 81.2 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1109 T1110 F1649 K1650 A1655 E1656 T1657 | R1109-A1653 HydrophobicContact CB-CB 4.4Å; T1110-A1653 HydrophobicContact CG2-CB 3.62Å; F1649-A1653 WeakPolarHBondContact O-CB 3.29Å; F1649-A1653 PolarHBondContact O-N 3.05Å; K1650-A1653 PolarHBondContact O-N 3.34Å; A1653-A1655 VanDerWaalsContact C-N 3.32Å; A1653-E1656 WeakPolarHBondContact O-CB 3.44Å; A1653-E1656 PolarHBondContact O-N 3.15Å; A1653-T1657 PolarHBondContact O-N 3.21Å |
| 1654 | I | 80.7 | Confident | 81.3 | Confident | 83 Ų | 83 | 30 Ų | 30 | 43% | 0.426 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 172.2 | -64.4 | 165.1 | 0 | 0 | 0 | 109.4 | K1650 P1651 E1656 T1657 M1658 I1728 | K1650-I1654 WeakPolarHBondContact O-CG1 3.3Å; K1650-I1654 PolarHBondContact O-N 2.78Å; P1651-I1654 PolarHBondContact O-N 2.85Å; I1654-E1656 VanDerWaalsContact C-N 3.34Å; I1654-E1656 PolarHBondContact O-N 3.45Å; I1654-T1657 PolarHBondContact O-N 2.88Å; I1654-T1657 VanDerWaalsContact O-N 3.13Å; I1654-T1657 PolarHBondContact O-OG1 2.88Å; I1654-M1658 HydrophobicContact CG2-SD 4.31Å; I1654-M1658 WeakPolarHBondContact O-CG 3.17Å; I1654-M1658 PolarHBondContact O-N 3.34Å; I1654-I1728 HydrophobicContact CD1-CD1 4.36Å; I1654-I1728 HydrophobicContact CG2-CG2 4.19Å |
| 1655 | A | 80.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | P1651 M1652 A1653 T1657 M1658 V1659 C1731 H1732 L1735 | P1651-A1655 WeakPolarHBondContact O-CB 3.2Å; P1651-A1655 PolarHBondContact O-N 2.94Å; M1652-A1655 CarbonylContact O-C 3.52Å; M1652-A1655 WeakPolarHBondContact O-CB 3.32Å; M1652-A1655 PolarHBondContact O-N 2.93Å; A1653-A1655 VanDerWaalsContact C-N 3.32Å; A1655-T1657 VanDerWaalsContact C-N 3.33Å; A1655-T1657 PolarHBondContact O-N 2.99Å; A1655-M1658 PolarHBondContact O-N 3.16Å; A1655-V1659 WeakPolarHBondContact O-CG2 3.2Å; A1655-V1659 PolarHBondContact O-N 3.29Å; A1655-C1731 HydrophobicContact CB-CB 3.78Å; A1655-H1732 HydrophobicContact CB-CB 4.21Å; A1655-L1735 HydrophobicContact CB-CD1 3.79Å |
| 1656 | E | 82 | Confident | 80.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.7 | -73.3 | -178.5 | 142.2 | 0 | 0 | 111.8 | F1106 R1109 M1652 A1653 I1654 M1658 V1659 A1660 L1735 | F1106-E1656 WeakPolarHBondContact CD1-O 3.35Å; F1106-E1656 VanDerWaalsContact O-CB 3.26Å; F1106-E1656 WeakPolarHBondContact O-CB 3.45Å; R1109-E1656 IonicContact CZ-OE1 3.96Å; R1109-E1656 IonicContact NH1-OE1 3.6Å; R1109-E1656 PolarHBondContact NH1-OE1 2.97Å; R1109-E1656 IonicContact NH1-OE2 2.93Å; M1652-E1656 WeakPolarHBondContact O-CG 3.49Å; M1652-E1656 PolarHBondContact O-N 3.29Å; A1653-E1656 WeakPolarHBondContact O-CB 3.44Å; A1653-E1656 PolarHBondContact O-N 3.15Å; I1654-E1656 VanDerWaalsContact C-N 3.34Å; I1654-E1656 PolarHBondContact O-N 3.45Å; E1656-M1658 VanDerWaalsContact C-N 3.34Å; E1656-V1659 PolarHBondContact O-N 3.36Å; E1656-A1660 PolarHBondContact O-N 3.42Å; E1656-L1735 HydrophobicContact CB-CD1 4.49Å; E1656-L1735 HydrophobicContact CG-CD1 3.81Å |
| 1657 | T | 80.8 | Confident | 80.2 | Confident | 62 Ų | 62 | 27 Ų | 27 | 38% | 0.38 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.7 | -37 | 176.4 | 62 | 0 | 0 | 0 | 0 | 112.1 | A1653 I1654 A1655 A1660 V1661 | A1653-T1657 PolarHBondContact O-N 3.21Å; I1654-T1657 PolarHBondContact O-N 2.88Å; I1654-T1657 VanDerWaalsContact O-N 3.13Å; I1654-T1657 PolarHBondContact O-OG1 2.88Å; A1655-T1657 VanDerWaalsContact C-N 3.33Å; A1655-T1657 PolarHBondContact O-N 2.99Å; T1657-A1660 WeakPolarHBondContact O-CB 3.43Å; T1657-A1660 PolarHBondContact O-N 3.03Å; T1657-V1661 VanDerWaalsContact O-CG2 3.26Å; T1657-V1661 WeakPolarHBondContact O-CG2 3.27Å; T1657-V1661 PolarHBondContact O-N 2.66Å |
| 1658 | M | 83.8 | Confident | 79.8 | Confident | 51 Ų | 51 | 26.3 Ų | 26.3 | 25% | 0.251 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.4 | -42 | 175.3 | -65.1 | 178.3 | 77.1 | 0 | 0 | 112 | I1654 A1655 E1656 A1660 V1661 D1662 I1728 | I1654-M1658 HydrophobicContact CG2-SD 4.31Å; I1654-M1658 WeakPolarHBondContact O-CG 3.17Å; I1654-M1658 PolarHBondContact O-N 3.34Å; A1655-M1658 PolarHBondContact O-N 3.16Å; E1656-M1658 VanDerWaalsContact C-N 3.34Å; M1658-A1660 VanDerWaalsContact C-N 3.3Å; M1658-A1660 PolarHBondContact O-N 2.96Å; M1658-V1661 WeakPolarHBondContact O-CB 3.26Å; M1658-V1661 PolarHBondContact O-N 3.49Å; M1658-D1662 PolarHBondContact O-N 3.5Å; M1658-I1728 HydrophobicContact SD-CG2 3.96Å |
| 1659 | V | 81.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | F1106 A1655 E1656 V1661 D1662 I1663 L1735 L1736 Y1739 | F1106-V1659 HydrophobicContact CE1-CB 4.42Å; F1106-V1659 HydrophobicContact CE1-CG1 4Å; A1655-V1659 WeakPolarHBondContact O-CG2 3.2Å; A1655-V1659 PolarHBondContact O-N 3.29Å; E1656-V1659 PolarHBondContact O-N 3.36Å; V1659-V1661 VanDerWaalsContact C-N 3.27Å; V1659-V1661 PolarHBondContact O-N 3.09Å; V1659-D1662 PolarHBondContact O-N 3.49Å; V1659-I1663 HydrophobicContact CG1-CD1 3.81Å; V1659-I1663 HydrophobicContact CG1-CG1 4.43Å; V1659-I1663 WeakPolarHBondContact O-CG1 3.39Å; V1659-I1663 PolarHBondContact O-N 3.24Å; V1659-L1735 HydrophobicContact CG2-CB 3.7Å; V1659-L1736 HydrophobicContact CG1-CG 4.48Å; V1659-L1736 HydrophobicContact CG2-CG 4.23Å; V1659-Y1739 HydrophobicContact CG1-CD2 3.75Å; V1659-Y1739 HydrophobicContact CG1-CE2 4.26Å; V1659-Y1739 HydrophobicContact CG1-CG 4.25Å |
| 1660 | A | 82.7 | Confident | 78.6 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1102 F1106 E1656 T1657 M1658 L1664 | F1102-A1660 HydrophobicContact CE1-CB 4.16Å; F1102-A1660 HydrophobicContact CZ-CB 4.46Å; F1106-A1660 HydrophobicContact CB-CB 3.76Å; F1106-A1660 HydrophobicContact CD1-CB 3.8Å; F1106-A1660 HydrophobicContact CD2-CB 3.63Å; F1106-A1660 HydrophobicContact CE1-CB 4.33Å; F1106-A1660 HydrophobicContact CE2-CB 4.21Å; F1106-A1660 HydrophobicContact CG-CB 3.44Å; F1106-A1660 VanDerWaalsContact CG-CB 3.44Å; E1656-A1660 PolarHBondContact O-N 3.42Å; T1657-A1660 WeakPolarHBondContact O-CB 3.43Å; T1657-A1660 PolarHBondContact O-N 3.03Å; M1658-A1660 VanDerWaalsContact C-N 3.3Å; M1658-A1660 PolarHBondContact O-N 2.96Å; A1660-L1664 WeakPolarHBondContact O-CG 3.48Å; A1660-L1664 PolarHBondContact O-N 2.91Å; A1660-L1664 VanDerWaalsContact O-N 3.16Å |
| 1661 | V | 82 | Confident | 78 | Confident | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | T1657 M1658 V1659 I1663 L1664 Q1665 T1713 S1716 M1717 | T1657-V1661 VanDerWaalsContact O-CG2 3.26Å; T1657-V1661 WeakPolarHBondContact O-CG2 3.27Å; T1657-V1661 PolarHBondContact O-N 2.66Å; M1658-V1661 WeakPolarHBondContact O-CB 3.26Å; M1658-V1661 PolarHBondContact O-N 3.49Å; V1659-V1661 VanDerWaalsContact C-N 3.27Å; V1659-V1661 PolarHBondContact O-N 3.09Å; V1661-I1663 VanDerWaalsContact C-N 3.34Å; V1661-I1663 PolarHBondContact O-N 3.44Å; V1661-L1664 PolarHBondContact O-N 3.43Å; V1661-Q1665 WeakPolarHBondContact O-CB 3.43Å; V1661-Q1665 PolarHBondContact O-N 3.08Å; V1661-T1713 HydrophobicContact CG2-CG2 3.87Å; V1661-S1716 WeakPolarHBondContact CG2-OG 3.35Å; V1661-M1717 HydrophobicContact CG1-CB 4.2Å; V1661-M1717 HydrophobicContact CG1-CG 3.55Å |
| 1662 | D | 80.8 | Confident | 77 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.9 | -64.9 | -34.6 | 0 | 0 | 0 | 112.3 | M1658 V1659 L1664 Q1665 Y1666 H1732 L1736 I1780 R1783 | M1658-D1662 PolarHBondContact O-N 3.5Å; V1659-D1662 PolarHBondContact O-N 3.49Å; D1662-L1664 VanDerWaalsContact C-N 3.32Å; D1662-L1664 PolarHBondContact O-N 2.87Å; D1662-Q1665 PolarHBondContact O-N 2.82Å; D1662-Y1666 PolarHBondContact O-N 3.5Å; D1662-H1732 IonicContact OD2-CD2 2.64Å; D1662-H1732 IonicContact OD2-CE1 3.63Å; D1662-H1732 PolarHBondContact OD2-CE1 2.87Å; D1662-H1732 VanDerWaalsContact OD2-CE1 3.31Å; D1662-H1732 IonicContact OD2-NE2 3.93Å; D1662-H1732 PolarHBondContact OD2-NE2 3.42Å; D1662-L1736 HydrophobicContact CB-CD2 4.41Å; D1662-I1780 HydrophobicContact CB-CG2 3.93Å; D1662-R1783 IonicContact OD1-CZ 3.61Å; D1662-R1783 IonicContact OD1-NH2 3.69Å; D1662-R1783 PolarHBondContact OD1-NH2 3.22Å |
| 1663 | I | 79.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -34.5 | 179.4 | -71 | 166.7 | 0 | 0 | 0 | 111.6 | L1080 L1084 F1102 F1106 V1659 V1661 Y1666 P1667 V1670 Y1739 | L1080-I1663 HydrophobicContact CD1-CD1 4.16Å; L1084-I1663 HydrophobicContact CD1-CG2 4.32Å; F1102-I1663 HydrophobicContact CE2-CG2 4.24Å; F1102-I1663 HydrophobicContact CZ-CG2 4.36Å; F1106-I1663 HydrophobicContact CE1-CD1 3.81Å; F1106-I1663 HydrophobicContact CZ-CD1 3.44Å; F1106-I1663 VanDerWaalsContact CZ-CD1 3.44Å; V1659-I1663 HydrophobicContact CG1-CD1 3.81Å; V1659-I1663 HydrophobicContact CG1-CG1 4.43Å; V1659-I1663 WeakPolarHBondContact O-CG1 3.39Å; V1659-I1663 PolarHBondContact O-N 3.24Å; V1661-I1663 VanDerWaalsContact C-N 3.34Å; V1661-I1663 PolarHBondContact O-N 3.44Å; I1663-Y1666 CarbonylContact O-C 2.88Å; I1663-P1667 VanDerWaalsContact O-CA 3.22Å; I1663-P1667 WeakPolarHBondContact O-CA 3.35Å; I1663-V1670 HydrophobicContact CG2-CG2 4.04Å; I1663-Y1739 HydrophobicContact CD1-CD1 4.44Å; I1663-Y1739 HydrophobicContact CD1-CG 4.48Å |
| 1664 | L | 82.2 | Confident | 74.5 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.5 | -26.6 | 176 | -71.1 | 173.9 | 0 | 0 | 0 | 113 | L1084 F1102 A1660 V1661 D1662 F1687 T1713 M1717 | L1084-L1664 HydrophobicContact CD2-CD2 3.89Å; F1102-L1664 HydrophobicContact CD1-CD1 4.47Å; F1102-L1664 HydrophobicContact CE1-CD1 3.63Å; F1102-L1664 HydrophobicContact CE1-CD2 4.07Å; F1102-L1664 HydrophobicContact CE1-CG 3.79Å; F1102-L1664 HydrophobicContact CE2-CD2 4.24Å; F1102-L1664 HydrophobicContact CZ-CD1 4.01Å; F1102-L1664 HydrophobicContact CZ-CD2 3.79Å; F1102-L1664 HydrophobicContact CZ-CG 3.61Å; A1660-L1664 WeakPolarHBondContact O-CG 3.48Å; A1660-L1664 PolarHBondContact O-N 2.91Å; A1660-L1664 VanDerWaalsContact O-N 3.16Å; V1661-L1664 PolarHBondContact O-N 3.43Å; D1662-L1664 VanDerWaalsContact C-N 3.32Å; D1662-L1664 PolarHBondContact O-N 2.87Å; L1664-F1687 HydrophobicContact CD2-CE1 3.86Å; L1664-F1687 HydrophobicContact CD2-CZ 4.04Å; L1664-F1687 WeakPolarHBondContact O-CD1 3.42Å; L1664-F1687 WeakPolarHBondContact O-CE1 3.44Å; L1664-T1713 HydrophobicContact CD1-CG2 3.69Å; L1664-M1717 HydrophobicContact CB-CE 3.77Å |
| 1665 | Q | 75.7 | Confident | 72.9 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.6 | -39.1 | 175.7 | -173.5 | 175.3 | -1.1 | 0 | 0 | 111.7 | V1661 D1662 P1667 N1684 M1717 | V1661-Q1665 WeakPolarHBondContact O-CB 3.43Å; V1661-Q1665 PolarHBondContact O-N 3.08Å; D1662-Q1665 PolarHBondContact O-N 2.82Å; Q1665-P1667 WeakPolarHBondContact O-CD 3.03Å; Q1665-N1684 PolarHBondContact O-OD1 3.25Å; Q1665-M1717 HydrophobicContact CB-CE 4.42Å |
| 1666 | Y | 76 | Confident | 71.5 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | trans | -123.3 | 60.9 | -179.1 | -56.4 | -75.9 | 0 | 0 | 0 | 111.6 | D1662 I1663 E1668 V1669 I1780 | D1662-Y1666 PolarHBondContact O-N 3.5Å; I1663-Y1666 CarbonylContact O-C 2.88Å; Y1666-E1668 VanDerWaalsContact CA-OE2 3.25Å; Y1666-E1668 WeakPolarHBondContact CA-OE2 3.19Å; Y1666-E1668 PolarHBondContact O-N 3.19Å; Y1666-V1669 PolarHBondContact O-N 2.91Å; Y1666-I1780 HydrophobicContact CD2-CG1 4.04Å; Y1666-I1780 HydrophobicContact CD2-CG2 4.41Å; Y1666-I1780 HydrophobicContact CE2-CG1 4.4Å; Y1666-I1780 HydrophobicContact CE2-CG2 4.49Å; Y1666-I1780 HydrophobicContact CG-CG1 4.49Å | ||
| 1667 | P | 72.8 | Confident | 69.8 | Low | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.2 | -177 | 28.4 | -37.4 | 0 | 0 | 0 | 113 | L1084 I1663 Q1665 V1669 V1670 F1671 F1682 F1687 | L1084-P1667 HydrophobicContact CD1-CB 4.08Å; L1084-P1667 HydrophobicContact CD2-CB 4.49Å; I1663-P1667 VanDerWaalsContact O-CA 3.22Å; I1663-P1667 WeakPolarHBondContact O-CA 3.35Å; Q1665-P1667 WeakPolarHBondContact O-CD 3.03Å; P1667-V1669 PolarHBondContact O-N 3.11Å; P1667-V1670 WeakPolarHBondContact O-CB 3.45Å; P1667-V1670 PolarHBondContact O-N 3.08Å; P1667-V1670 VanDerWaalsContact O-N 3.11Å; P1667-F1671 VanDerWaalsContact O-CD2 3.25Å; P1667-F1671 WeakPolarHBondContact O-CD2 3.34Å; P1667-F1682 HydrophobicContact CB-CD1 4.15Å; P1667-F1682 HydrophobicContact CG-CB 4.48Å; P1667-F1682 HydrophobicContact CG-CD1 4.3Å; P1667-F1687 HydrophobicContact CB-CD1 4.27Å; P1667-F1687 HydrophobicContact CB-CE1 4.32Å; P1667-F1687 HydrophobicContact CG-CB 4.13Å; P1667-F1687 HydrophobicContact CG-CD1 3.71Å; P1667-F1687 HydrophobicContact CG-CE1 4.24Å; P1667-F1687 HydrophobicContact CG-CG 3.9Å |
| 1668 | E | 69.6 | Low | 68.2 | Low | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -32.7 | 179.1 | 66.2 | -84.7 | -159.5 | 0 | 0 | 113.1 | Y1666 V1670 F1671 D1672 N1684 | Y1666-E1668 VanDerWaalsContact CA-OE2 3.25Å; Y1666-E1668 WeakPolarHBondContact CA-OE2 3.19Å; Y1666-E1668 PolarHBondContact O-N 3.19Å; E1668-V1670 PolarHBondContact O-N 3.32Å; E1668-V1670 VanDerWaalsContact O-N 3.17Å; E1668-F1671 PolarHBondContact O-N 3.37Å; E1668-D1672 PolarHBondContact O-N 3.28Å; E1668-N1684 PolarHBondContact OE1-ND2 2.87Å; E1668-N1684 PolarHBondContact OE1-OD1 2.92Å; E1668-N1684 VanDerWaalsContact OE1-OD1 3.1Å |
| 1669 | V | 70.3 | Confident | 66.6 | Low | 27 Ų | 27 | 48.7 Ų | 48.7 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -26.9 | -179.1 | -175 | 0 | 0 | 0 | 0 | 111.4 | Y1666 P1667 F1671 F1740 I1776 | Y1666-V1669 PolarHBondContact O-N 2.91Å; P1667-V1669 PolarHBondContact O-N 3.11Å; V1669-F1671 VanDerWaalsContact C-N 3.34Å; V1669-F1740 HydrophobicContact CB-CE1 3.95Å; V1669-F1740 HydrophobicContact CB-CZ 4.13Å; V1669-F1740 HydrophobicContact CG1-CD1 3.88Å; V1669-F1740 HydrophobicContact CG1-CE1 3.41Å; V1669-F1740 VanDerWaalsContact CG1-CE1 3.41Å; V1669-F1740 HydrophobicContact CG1-CE2 4.21Å; V1669-F1740 HydrophobicContact CG1-CZ 3.6Å; V1669-I1776 HydrophobicContact CG1-CG2 3.87Å; V1669-I1776 HydrophobicContact CG2-CG2 4.21Å |
| 1670 | V | 69.3 | Low | 65.2 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75 | -27.4 | 176.6 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | K1077 L1080 R1081 L1084 I1663 P1667 E1668 F1740 | K1077-V1670 HydrophobicContact CB-CG1 4.31Å; L1080-V1670 HydrophobicContact CB-CG1 3.98Å; R1081-V1670 HydrophobicContact CG-CG1 3.84Å; R1081-V1670 VanDerWaalsContact CZ-O 3.31Å; R1081-V1670 PolarHBondContact NE-O 3.31Å; R1081-V1670 PolarHBondContact NH2-O 3.44Å; L1084-V1670 HydrophobicContact CD1-CB 4.39Å; L1084-V1670 HydrophobicContact CD1-CG2 4.18Å; I1663-V1670 HydrophobicContact CG2-CG2 4.04Å; P1667-V1670 WeakPolarHBondContact O-CB 3.45Å; P1667-V1670 PolarHBondContact O-N 3.08Å; P1667-V1670 VanDerWaalsContact O-N 3.11Å; E1668-V1670 PolarHBondContact O-N 3.32Å; E1668-V1670 VanDerWaalsContact O-N 3.17Å; V1670-F1740 HydrophobicContact CG2-CE1 4.48Å |
| 1671 | F | 68.7 | Low | 64 | Low | 18 Ų | 18 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -92.1 | -1.7 | -176.7 | -66.3 | -81.9 | 0 | 0 | 0 | 114.4 | R1081 L1084 P1667 E1668 V1669 G1673 C1674 F1682 | R1081-F1671 HydrophobicContact CB-CD1 4.36Å; R1081-F1671 HydrophobicContact CB-CE1 3.68Å; R1081-F1671 HydrophobicContact CB-CZ 4.06Å; R1081-F1671 HydrophobicContact CG-CD1 3.82Å; R1081-F1671 HydrophobicContact CG-CE1 3.62Å; R1081-F1671 HydrophobicContact CG-CG 4.47Å; R1081-F1671 HydrophobicContact CG-CZ 4.11Å; L1084-F1671 HydrophobicContact CB-CE2 4.34Å; L1084-F1671 HydrophobicContact CB-CZ 4.25Å; L1084-F1671 HydrophobicContact CD1-CE2 4.07Å; P1667-F1671 VanDerWaalsContact O-CD2 3.25Å; P1667-F1671 WeakPolarHBondContact O-CD2 3.34Å; E1668-F1671 PolarHBondContact O-N 3.37Å; V1669-F1671 VanDerWaalsContact C-N 3.34Å; F1671-G1673 PolarHBondContact O-N 2.88Å; F1671-C1674 WeakPolarHBondContact O-CB 3.36Å; F1671-C1674 PolarHBondContact O-N 3.24Å; F1671-F1682 HydrophobicContact CD2-CD1 4.3Å; F1671-F1682 HydrophobicContact CD2-CD2 4.15Å; F1671-F1682 HydrophobicContact CD2-CE2 4.38Å; F1671-F1682 HydrophobicContact CD2-CG 4.11Å; F1671-F1682 HydrophobicContact CE1-CE2 4.17Å; F1671-F1682 HydrophobicContact CE1-CZ 4.21Å; F1671-F1682 AromaticContact CE2-CD1 3.72Å; F1671-F1682 HydrophobicContact CE2-CD1 3.72Å; F1671-F1682 HydrophobicContact CE2-CD2 4.04Å; F1671-F1682 AromaticContact CE2-CE1 3.57Å; F1671-F1682 HydrophobicContact CE2-CE1 3.57Å; F1671-F1682 AromaticContact CE2-CE2 3.91Å; F1671-F1682 HydrophobicContact CE2-CE2 3.91Å; F1671-F1682 AromaticContact CE2-CG 3.95Å; F1671-F1682 HydrophobicContact CE2-CG 3.95Å; F1671-F1682 AromaticContact CE2-CZ 3.67Å; F1671-F1682 HydrophobicContact CE2-CZ 3.67Å; F1671-F1682 HydrophobicContact CZ-CD1 4.38Å; F1671-F1682 HydrophobicContact CZ-CD2 4.37Å; F1671-F1682 AromaticContact CZ-CE1 3.79Å; F1671-F1682 HydrophobicContact CZ-CE1 3.79Å; F1671-F1682 AromaticContact CZ-CE2 3.79Å; F1671-F1682 HydrophobicContact CZ-CE2 3.79Å; F1671-F1682 AromaticContact CZ-CZ 3.47Å; F1671-F1682 HydrophobicContact CZ-CZ 3.47Å; F1671-F1682 VanDerWaalsContact CZ-CZ 3.47Å |
| 1672 | D | 58.6 | Low | 62.8 | Low | 120 Ų | 120 | 56.9 Ų | 56.9 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 125.1 | -179.6 | -155.1 | 7.2 | 0 | 0 | 0 | 111.5 | E1668 | E1668-D1672 PolarHBondContact O-N 3.28Š|
| 1673 | G | 54 | Low | 61.7 | Low | 78 Ų | 78 | 64.2 Ų | 64.2 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | 1.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | F1671 | F1671-G1673 PolarHBondContact O-N 2.88Š|
| 1674 | C | 51.9 | Low | 60.7 | Low | 64 Ų | 64 | 67.4 Ų | 67.4 | 43% | 0.432 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -98.3 | 168.5 | 172.5 | -69.5 | 0 | 0 | 0 | 0 | 113.1 | F1671 | F1671-C1674 WeakPolarHBondContact O-CB 3.36Å; F1671-C1674 PolarHBondContact O-N 3.24Å |
| 1675 | D | 48.5 | Very low | 59.7 | Low | 137 Ų | 137 | 71.6 Ų | 71.6 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | trans | -52.1 | 133.7 | -173.7 | -89.9 | -37.3 | 0 | 0 | 0 | 115.2 | Q1677 M1678 | D1675-Q1677 VanDerWaalsContact C-N 3.25Å; D1675-Q1677 PolarHBondContact O-N 2.76Å; D1675-Q1677 VanDerWaalsContact O-N 3.1Å; D1675-M1678 PolarHBondContact O-N 3.41Å; D1675-M1678 VanDerWaalsContact O-N 3.09Å | ||
| 1676 | K | 49.7 | Very low | 59.5 | Low | 183 Ų | 183 | 75.2 Ų | 75.2 | 80% | 0.796 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.2 | -175.2 | -69 | -177.7 | 176.9 | 178.7 | 0 | 115.6 | M1678 | K1676-M1678 VanDerWaalsContact C-N 3.26Å; K1676-M1678 PolarHBondContact O-N 3.22Å |
| 1677 | Q | 47.1 | Very low | 59.7 | Low | 157 Ų | 157 | 73.4 Ų | 73.4 | 73% | 0.734 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19 | 179.6 | -77.2 | -176.3 | -10.1 | 0 | 0 | 112.9 | D1675 | D1675-Q1677 VanDerWaalsContact C-N 3.25Å; D1675-Q1677 PolarHBondContact O-N 2.76Å; D1675-Q1677 VanDerWaalsContact O-N 3.1Å |
| 1678 | M | 47.8 | Very low | 59.9 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -85.4 | -20.8 | -179 | -70.5 | -76.1 | -84.6 | 0 | 0 | 112.9 | D1675 K1676 D1680 N1681 F1682 | D1675-M1678 PolarHBondContact O-N 3.41Å; D1675-M1678 VanDerWaalsContact O-N 3.09Å; K1676-M1678 VanDerWaalsContact C-N 3.26Å; K1676-M1678 PolarHBondContact O-N 3.22Å; M1678-D1680 PolarHBondContact O-N 3.13Å; M1678-N1681 PolarHBondContact O-N 3.49Å; M1678-F1682 WeakPolarHBondContact O-CD2 3.42Å |
| 1679 | D | 49.4 | Very low | 60.3 | Low | 61 Ų | 61 | 73.5 Ų | 73.5 | 33% | 0.326 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.5 | -31 | 178.3 | -94.7 | -14.2 | 0 | 0 | 0 | 112.5 | N1681 F1682 R1683 | D1679-N1681 VanDerWaalsContact C-N 3.34Å; D1679-N1681 PolarHBondContact O-N 2.62Å; D1679-F1682 PolarHBondContact O-N 3.47Å; D1679-R1683 WeakPolarHBondContact O-CG 3.49Å; D1679-R1683 PolarHBondContact O-N 2.82Å |
| 1680 | D | 53.1 | Low | 60.8 | Low | 102 Ų | 102 | 74.8 Ų | 74.8 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -31.8 | -175.1 | -75.5 | -16.8 | 0 | 0 | 0 | 113.7 | M1678 | M1678-D1680 PolarHBondContact O-N 3.13Å |
| 1681 | N | 56.1 | Low | 61.3 | Low | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -78.4 | -23.8 | 178.7 | -80.9 | -43.4 | 0 | 0 | 0 | 113.5 | M1678 D1679 | M1678-N1681 PolarHBondContact O-N 3.49Å; D1679-N1681 VanDerWaalsContact C-N 3.34Å; D1679-N1681 PolarHBondContact O-N 2.62Å |
| 1682 | F | 58.2 | Low | 61.9 | Low | 5 Ų | 5 | 74 Ų | 74 | 2% | 0.022 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -103.1 | -5.7 | -177 | -64.9 | -77.2 | 0 | 0 | 0 | 113.1 | L1084 V1088 P1667 F1671 M1678 D1679 F1687 | L1084-F1682 HydrophobicContact CB-CE1 4.38Å; V1088-F1682 HydrophobicContact CG2-CE1 3.82Å; V1088-F1682 HydrophobicContact CG2-CZ 4.2Å; P1667-F1682 HydrophobicContact CB-CD1 4.15Å; P1667-F1682 HydrophobicContact CG-CB 4.48Å; P1667-F1682 HydrophobicContact CG-CD1 4.3Å; F1671-F1682 HydrophobicContact CD2-CD1 4.3Å; F1671-F1682 HydrophobicContact CD2-CD2 4.15Å; F1671-F1682 HydrophobicContact CD2-CE2 4.38Å; F1671-F1682 HydrophobicContact CD2-CG 4.11Å; F1671-F1682 HydrophobicContact CE1-CE2 4.17Å; F1671-F1682 HydrophobicContact CE1-CZ 4.21Å; F1671-F1682 AromaticContact CE2-CD1 3.72Å; F1671-F1682 HydrophobicContact CE2-CD1 3.72Å; F1671-F1682 HydrophobicContact CE2-CD2 4.04Å; F1671-F1682 AromaticContact CE2-CE1 3.57Å; F1671-F1682 HydrophobicContact CE2-CE1 3.57Å; F1671-F1682 AromaticContact CE2-CE2 3.91Å; F1671-F1682 HydrophobicContact CE2-CE2 3.91Å; F1671-F1682 AromaticContact CE2-CG 3.95Å; F1671-F1682 HydrophobicContact CE2-CG 3.95Å; F1671-F1682 AromaticContact CE2-CZ 3.67Å; F1671-F1682 HydrophobicContact CE2-CZ 3.67Å; F1671-F1682 HydrophobicContact CZ-CD1 4.38Å; F1671-F1682 HydrophobicContact CZ-CD2 4.37Å; F1671-F1682 AromaticContact CZ-CE1 3.79Å; F1671-F1682 HydrophobicContact CZ-CE1 3.79Å; F1671-F1682 AromaticContact CZ-CE2 3.79Å; F1671-F1682 HydrophobicContact CZ-CE2 3.79Å; F1671-F1682 AromaticContact CZ-CZ 3.47Å; F1671-F1682 HydrophobicContact CZ-CZ 3.47Å; F1671-F1682 VanDerWaalsContact CZ-CZ 3.47Å; M1678-F1682 WeakPolarHBondContact O-CD2 3.42Å; D1679-F1682 PolarHBondContact O-N 3.47Å; F1682-F1687 HydrophobicContact CD1-CD2 4.19Å; F1682-F1687 HydrophobicContact CE1-CD2 4.28Å; F1682-F1687 HydrophobicContact CE1-CE2 4.45Å |
| 1683 | R | 58.1 | Low | 63 | Low | 155 Ų | 155 | 72.7 Ų | 72.7 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -58.6 | 143.1 | 170.6 | -87.5 | 173.9 | 179.3 | -129.5 | -0.8 | 112.1 | D1679 D1685 L1686 | D1679-R1683 WeakPolarHBondContact O-CG 3.49Å; D1679-R1683 PolarHBondContact O-N 2.82Å; R1683-D1685 PolarHBondContact O-N 3.12Å; R1683-L1686 PolarHBondContact O-N 3.22Å |
| 1684 | N | 57.2 | Low | 64.4 | Low | 68 Ų | 68 | 69 Ų | 69 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 5.1 | -155.4 | -85.3 | -48.2 | 0 | 0 | 0 | 121.3 | Q1665 E1668 C1791 | Q1665-N1684 PolarHBondContact O-OD1 3.25Å; E1668-N1684 PolarHBondContact OE1-ND2 2.87Å; E1668-N1684 PolarHBondContact OE1-OD1 2.92Å; E1668-N1684 VanDerWaalsContact OE1-OD1 3.1Å; N1684-C1791 PolarHBondContact O-SG 2.93Å |
| 1685 | D | 61.5 | Low | 65.7 | Low | 89 Ų | 89 | 66 Ų | 66 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -29.4 | 176.8 | -60.7 | -42.6 | 0 | 0 | 0 | 113.5 | R1683 A1689 C1791 | R1683-D1685 PolarHBondContact O-N 3.12Å; D1685-A1689 VanDerWaalsContact O-CB 3.31Å; D1685-A1689 WeakPolarHBondContact O-CB 3.34Å; D1685-A1689 PolarHBondContact O-N 3.35Å; D1685-A1689 VanDerWaalsContact O-N 3.15Å; D1685-C1791 PolarHBondContact OD1-SG 2.99Å |
| 1686 | L | 71.8 | Confident | 67.2 | Low | 90 Ų | 90 | 63 Ų | 63 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -75.7 | -39.1 | -174.2 | -77.2 | 111.3 | 0 | 0 | 0 | 113.2 | R1683 A1689 K1690 | R1683-L1686 PolarHBondContact O-N 3.22Å; L1686-A1689 PolarHBondContact O-N 2.88Å; L1686-K1690 WeakPolarHBondContact O-CG 3.39Å; L1686-K1690 PolarHBondContact O-N 3.2Å |
| 1687 | F | 79.4 | Confident | 68.6 | Low | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -44.1 | -179.2 | -174.9 | -104 | 0 | 0 | 0 | 111.6 | L1084 I1087 V1088 L1664 P1667 F1682 A1689 K1690 L1691 | L1084-F1687 HydrophobicContact CD2-CE1 4.19Å; L1084-F1687 HydrophobicContact CD2-CE2 4.28Å; L1084-F1687 HydrophobicContact CD2-CZ 3.57Å; I1087-F1687 HydrophobicContact CG2-CE2 4.34Å; I1087-F1687 HydrophobicContact CG2-CZ 4.29Å; V1088-F1687 HydrophobicContact CG2-CD2 3.67Å; V1088-F1687 HydrophobicContact CG2-CE2 3.68Å; L1664-F1687 HydrophobicContact CD2-CE1 3.86Å; L1664-F1687 HydrophobicContact CD2-CZ 4.04Å; L1664-F1687 WeakPolarHBondContact O-CD1 3.42Å; L1664-F1687 WeakPolarHBondContact O-CE1 3.44Å; P1667-F1687 HydrophobicContact CB-CD1 4.27Å; P1667-F1687 HydrophobicContact CB-CE1 4.32Å; P1667-F1687 HydrophobicContact CG-CB 4.13Å; P1667-F1687 HydrophobicContact CG-CD1 3.71Å; P1667-F1687 HydrophobicContact CG-CE1 4.24Å; P1667-F1687 HydrophobicContact CG-CG 3.9Å; F1682-F1687 HydrophobicContact CD1-CD2 4.19Å; F1682-F1687 HydrophobicContact CE1-CD2 4.28Å; F1682-F1687 HydrophobicContact CE1-CE2 4.45Å; F1687-A1689 PolarHBondContact O-N 2.78Å; F1687-K1690 WeakPolarHBondContact O-CB 3.4Å; F1687-K1690 PolarHBondContact O-N 3.3Å; F1687-K1690 VanDerWaalsContact O-N 3.16Å; F1687-L1691 HydrophobicContact CD1-CD1 3.51Å; F1687-L1691 HydrophobicContact CD1-CG 4.4Å; F1687-L1691 HydrophobicContact CE1-CD1 3.29Å; F1687-L1691 HydrophobicContact CE1-CG 4.08Å; F1687-L1691 HydrophobicContact CG-CD1 4.46Å; F1687-L1691 HydrophobicContact CZ-CD1 4.07Å; F1687-L1691 HydrophobicContact CZ-CG 4.41Å; F1687-L1691 PolarHBondContact O-N 3.34Å |
| 1688 | I | 77.6 | Confident | 70.1 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.8 | -61.8 | 178.4 | 0 | 0 | 0 | 110.5 | K1690 L1691 I1692 L1792 A1795 | I1688-K1690 VanDerWaalsContact C-N 3.28Å; I1688-K1690 PolarHBondContact O-N 3.48Å; I1688-L1691 WeakPolarHBondContact O-CB 3.4Å; I1688-L1691 PolarHBondContact O-N 3.39Å; I1688-I1692 HydrophobicContact CG2-CD1 4.11Å; I1688-I1692 WeakPolarHBondContact O-CG1 3.44Å; I1688-I1692 PolarHBondContact O-N 3.49Å; I1688-L1792 HydrophobicContact CG2-CD2 3.83Å; I1688-A1795 HydrophobicContact CB-CB 4.23Å; I1688-A1795 HydrophobicContact CG2-CB 3.74Å |
| 1689 | A | 78.3 | Confident | 71.2 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1685 L1686 F1687 K1693 A1795 | D1685-A1689 VanDerWaalsContact O-CB 3.31Å; D1685-A1689 WeakPolarHBondContact O-CB 3.34Å; D1685-A1689 PolarHBondContact O-N 3.35Å; D1685-A1689 VanDerWaalsContact O-N 3.15Å; L1686-A1689 PolarHBondContact O-N 2.88Å; F1687-A1689 PolarHBondContact O-N 2.78Å; A1689-K1693 PolarHBondContact O-N 3.31Å; A1689-A1795 HydrophobicContact CB-CB 4.17Å |
| 1690 | K | 80.4 | Confident | 72.3 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.1 | -74.8 | -176.2 | 178.9 | -175.7 | 0 | 112.2 | V1088 L1686 F1687 I1688 I1692 K1693 H1694 | V1088-K1690 HydrophobicContact CG1-CD 4.02Å; V1088-K1690 VanDerWaalsContact CG1-NZ 3.25Å; L1686-K1690 WeakPolarHBondContact O-CG 3.39Å; L1686-K1690 PolarHBondContact O-N 3.2Å; F1687-K1690 WeakPolarHBondContact O-CB 3.4Å; F1687-K1690 PolarHBondContact O-N 3.3Å; F1687-K1690 VanDerWaalsContact O-N 3.16Å; I1688-K1690 VanDerWaalsContact C-N 3.28Å; I1688-K1690 PolarHBondContact O-N 3.48Å; K1690-I1692 VanDerWaalsContact C-N 3.3Å; K1690-I1692 PolarHBondContact O-N 3.04Å; K1690-K1693 CarbonylContact O-C 3.58Å; K1690-K1693 WeakPolarHBondContact O-CA 3.44Å; K1690-K1693 VanDerWaalsContact O-CB 3.32Å; K1690-K1693 WeakPolarHBondContact O-CB 3.43Å; K1690-K1693 PolarHBondContact O-N 2.66Å; K1690-H1694 VanDerWaalsContact C-CD2 3.44Å; K1690-H1694 PolarHBondContact O-CD2 2.95Å; K1690-H1694 VanDerWaalsContact O-CG 3.28Å; K1690-H1694 PolarHBondContact O-N 2.82Å; K1690-H1694 PolarHBondContact O-NE2 2.9Å |
| 1691 | L | 81 | Confident | 73 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.8 | -43.7 | 173.1 | -82.6 | 156.2 | 0 | 0 | 0 | 112.4 | F1687 I1688 H1694 C1695 L1710 | F1687-L1691 HydrophobicContact CD1-CD1 3.51Å; F1687-L1691 HydrophobicContact CD1-CG 4.4Å; F1687-L1691 HydrophobicContact CE1-CD1 3.29Å; F1687-L1691 HydrophobicContact CE1-CG 4.08Å; F1687-L1691 HydrophobicContact CG-CD1 4.46Å; F1687-L1691 HydrophobicContact CZ-CD1 4.07Å; F1687-L1691 HydrophobicContact CZ-CG 4.41Å; F1687-L1691 PolarHBondContact O-N 3.34Å; I1688-L1691 WeakPolarHBondContact O-CB 3.4Å; I1688-L1691 PolarHBondContact O-N 3.39Å; L1691-H1694 WeakPolarHBondContact O-CB 3.45Å; L1691-H1694 PolarHBondContact O-N 2.9Å; L1691-H1694 VanDerWaalsContact O-N 3.15Å; L1691-C1695 PolarHBondContact O-N 3.3Å; L1691-C1695 PolarHBondContact O-SG 2.94Å; L1691-L1710 HydrophobicContact CD2-CD1 3.77Å |
| 1692 | I | 81.1 | Confident | 73.4 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 174.7 | -73.5 | 168.2 | 0 | 0 | 0 | 111 | I1688 K1690 H1694 C1695 R1696 A1795 A1797 L1800 | I1688-I1692 HydrophobicContact CG2-CD1 4.11Å; I1688-I1692 WeakPolarHBondContact O-CG1 3.44Å; I1688-I1692 PolarHBondContact O-N 3.49Å; K1690-I1692 VanDerWaalsContact C-N 3.3Å; K1690-I1692 PolarHBondContact O-N 3.04Å; I1692-H1694 VanDerWaalsContact C-N 3.3Å; I1692-H1694 PolarHBondContact O-N 2.86Å; I1692-C1695 WeakPolarHBondContact O-CB 3.36Å; I1692-C1695 PolarHBondContact O-N 3.39Å; I1692-R1696 PolarHBondContact O-N 2.99Å; I1692-A1795 HydrophobicContact CD1-CB 3.75Å; I1692-A1797 HydrophobicContact CD1-CB 4.11Å; I1692-L1800 HydrophobicContact CG1-CD2 4.47Å; I1692-L1800 HydrophobicContact CG2-CB 3.87Å; I1692-L1800 HydrophobicContact CG2-CD2 4.08Å; I1692-L1800 HydrophobicContact CG2-CG 4.37Å |
| 1693 | K | 82 | Confident | 74.2 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 173.2 | -173.5 | -171.6 | 176.2 | -166.5 | 0 | 111.8 | D1090 A1689 K1690 R1696 L1697 | D1090-K1693 IonicContact OD1-NZ 3.18Å; D1090-K1693 PolarHBondContact OD1-NZ 2.72Å; A1689-K1693 PolarHBondContact O-N 3.31Å; K1690-K1693 CarbonylContact O-C 3.58Å; K1690-K1693 WeakPolarHBondContact O-CA 3.44Å; K1690-K1693 VanDerWaalsContact O-CB 3.32Å; K1690-K1693 WeakPolarHBondContact O-CB 3.43Å; K1690-K1693 PolarHBondContact O-N 2.66Å; K1693-R1696 WeakPolarHBondContact O-CB 3.48Å; K1693-R1696 PolarHBondContact O-N 2.78Å; K1693-L1697 PolarHBondContact O-N 2.85Å; K1693-L1697 VanDerWaalsContact O-N 3.14Å |
| 1694 | H | 81.6 | Confident | 75 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 177.4 | -62.6 | -49 | 0 | 0 | 0 | 112.8 | I1087 I1095 K1690 L1691 I1692 R1696 L1697 L1698 | I1087-H1694 PolarHBondContact O-CE1 2.83Å; I1087-H1694 PolarHBondContact O-NE2 3.2Å; I1095-H1694 VanDerWaalsContact CD1-CE1 3.41Å; I1095-H1694 WeakPolarHBondContact CD1-CE1 3.44Å; I1095-H1694 VanDerWaalsContact CD1-ND1 3.29Å; I1095-H1694 WeakPolarHBondContact CD1-ND1 3.13Å; I1095-H1694 HydrophobicContact CG2-CB 4.26Å; K1690-H1694 VanDerWaalsContact C-CD2 3.44Å; K1690-H1694 PolarHBondContact O-CD2 2.95Å; K1690-H1694 VanDerWaalsContact O-CG 3.28Å; K1690-H1694 PolarHBondContact O-N 2.82Å; K1690-H1694 PolarHBondContact O-NE2 2.9Å; L1691-H1694 WeakPolarHBondContact O-CB 3.45Å; L1691-H1694 PolarHBondContact O-N 2.9Å; L1691-H1694 VanDerWaalsContact O-N 3.15Å; I1692-H1694 VanDerWaalsContact C-N 3.3Å; I1692-H1694 PolarHBondContact O-N 2.86Å; H1694-R1696 VanDerWaalsContact C-N 3.26Å; H1694-R1696 PolarHBondContact O-N 3.13Å; H1694-L1697 PolarHBondContact O-N 3.25Å; H1694-L1697 VanDerWaalsContact O-N 3.12Å; H1694-L1698 WeakPolarHBondContact O-CG 3.26Å; H1694-L1698 PolarHBondContact O-N 3.47Å |
| 1695 | C | 80.7 | Confident | 76 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55 | -44 | 171.5 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | L1691 I1692 A1699 L1710 L1800 | L1691-C1695 PolarHBondContact O-N 3.3Å; L1691-C1695 PolarHBondContact O-SG 2.94Å; I1692-C1695 WeakPolarHBondContact O-CB 3.36Å; I1692-C1695 PolarHBondContact O-N 3.39Å; C1695-A1699 WeakPolarHBondContact O-CB 3.35Å; C1695-A1699 PolarHBondContact O-N 3.38Å; C1695-A1699 VanDerWaalsContact O-N 3.12Å; C1695-L1710 WeakPolarHBondContact SG-CD2 3.42Å; C1695-L1710 VanDerWaalsContact SG-CG 3.58Å; C1695-L1800 HydrophobicContact CB-CD1 3.95Å; C1695-L1800 HydrophobicContact CB-CD2 3.94Å |
| 1696 | R | 80.2 | Confident | 76.9 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 175.7 | -61 | -173.3 | -176.2 | 132.7 | 8.8 | 111.4 | I1692 K1693 H1694 A1699 H1700 L1800 D1803 | I1692-R1696 PolarHBondContact O-N 2.99Å; K1693-R1696 WeakPolarHBondContact O-CB 3.48Å; K1693-R1696 PolarHBondContact O-N 2.78Å; H1694-R1696 VanDerWaalsContact C-N 3.26Å; H1694-R1696 PolarHBondContact O-N 3.13Å; R1696-A1699 PolarHBondContact O-N 3.38Å; R1696-H1700 PolarHBondContact O-N 3.43Å; R1696-H1700 PolarHBondContact O-ND1 2.87Å; R1696-L1800 HydrophobicContact CG-CD1 3.47Å; R1696-L1800 VanDerWaalsContact CG-CD1 3.47Å; R1696-D1803 IonicContact CZ-OD2 3.59Å; R1696-D1803 IonicContact NE-OD2 3.58Å; R1696-D1803 PolarHBondContact NE-OD2 3Å; R1696-D1803 VanDerWaalsContact NE-OD2 3.07Å; R1696-D1803 IonicContact NH2-OD2 3.53Å |
| 1697 | L | 79.2 | Confident | 77.4 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 32% | 0.319 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | -179.4 | -69.1 | 170.7 | 0 | 0 | 0 | 112.4 | K1693 H1694 A1699 H1700 E1701 | K1693-L1697 PolarHBondContact O-N 2.85Å; K1693-L1697 VanDerWaalsContact O-N 3.14Å; H1694-L1697 PolarHBondContact O-N 3.25Å; H1694-L1697 VanDerWaalsContact O-N 3.12Å; L1697-A1699 PolarHBondContact O-N 3.07Å; L1697-H1700 PolarHBondContact O-N 3.25Å; L1697-H1700 VanDerWaalsContact O-N 3.13Å; L1697-E1701 PolarHBondContact O-N 2.96Å |
| 1698 | L | 78.4 | Confident | 77.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 179.7 | -69.9 | 171.9 | 0 | 0 | 0 | 112.5 | L1099 H1694 H1700 E1701 K1702 N1703 L1706 C1707 L1710 | L1099-L1698 HydrophobicContact CD1-CD1 4.04Å; H1694-L1698 WeakPolarHBondContact O-CG 3.26Å; H1694-L1698 PolarHBondContact O-N 3.47Å; L1698-H1700 VanDerWaalsContact C-N 3.29Å; L1698-H1700 PolarHBondContact O-N 3.14Å; L1698-E1701 PolarHBondContact O-N 3.44Å; L1698-K1702 PolarHBondContact O-N 3.02Å; L1698-N1703 HydrophobicContact CD2-CB 4.16Å; L1698-N1703 PolarHBondContact O-N 3.31Å; L1698-N1703 VanDerWaalsContact O-N 3.15Å; L1698-L1706 HydrophobicContact CD1-CB 4.45Å; L1698-C1707 HydrophobicContact CB-CB 4.17Å; L1698-L1710 HydrophobicContact CD1-CD2 4.15Å |
| 1699 | A | 71.1 | Confident | 77.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | C1695 R1696 L1697 L1804 I1813 | C1695-A1699 WeakPolarHBondContact O-CB 3.35Å; C1695-A1699 PolarHBondContact O-N 3.38Å; C1695-A1699 VanDerWaalsContact O-N 3.12Å; R1696-A1699 PolarHBondContact O-N 3.38Å; L1697-A1699 PolarHBondContact O-N 3.07Å; A1699-L1804 HydrophobicContact CB-CD2 4.1Å; A1699-I1813 HydrophobicContact CB-CD1 4.44Å |
| 1700 | H | 71.6 | Confident | 78.1 | Confident | 156 Ų | 156 | 54.7 Ų | 54.7 | 72% | 0.722 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -73.8 | -32.2 | 176 | -74 | 75.8 | 0 | 0 | 0 | 113.1 | R1696 L1697 L1698 K1702 | R1696-H1700 PolarHBondContact O-N 3.43Å; R1696-H1700 PolarHBondContact O-ND1 2.87Å; L1697-H1700 PolarHBondContact O-N 3.25Å; L1697-H1700 VanDerWaalsContact O-N 3.13Å; L1698-H1700 VanDerWaalsContact C-N 3.29Å; L1698-H1700 PolarHBondContact O-N 3.14Å; H1700-K1702 VanDerWaalsContact C-N 3.29Å; H1700-K1702 PolarHBondContact O-N 3.44Å |
| 1701 | E | 67.2 | Low | 78.3 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 43% | 0.425 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -1.4 | 178 | -69.4 | -162.8 | 152.2 | 0 | 0 | 114.6 | P1092 L1697 L1698 N1703 | P1092-E1701 VanDerWaalsContact CB-CD 3.4Å; P1092-E1701 WeakPolarHBondContact CB-OE1 3.45Å; P1092-E1701 WeakPolarHBondContact CB-OE2 3.36Å; L1697-E1701 PolarHBondContact O-N 2.96Å; L1698-E1701 PolarHBondContact O-N 3.44Å; E1701-N1703 VanDerWaalsContact C-N 3.35Å |
| 1702 | K | 65.6 | Low | 78.4 | Confident | 174 Ų | 174 | 57.6 Ų | 57.6 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 30.6 | -176.8 | -50.9 | -177.4 | 175.4 | -173.5 | 0 | 114.4 | L1698 H1700 E1704 | L1698-K1702 PolarHBondContact O-N 3.02Å; H1700-K1702 VanDerWaalsContact C-N 3.29Å; H1700-K1702 PolarHBondContact O-N 3.44Å; K1702-E1704 PolarHBondContact O-N 2.89Å |
| 1703 | N | 75.1 | Confident | 78.5 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | trans | -93.3 | 70.2 | 173.6 | -109.8 | -31.2 | 0 | 0 | 0 | 110.7 | L1698 E1701 I1705 C1707 | L1698-N1703 HydrophobicContact CD2-CB 4.16Å; L1698-N1703 PolarHBondContact O-N 3.31Å; L1698-N1703 VanDerWaalsContact O-N 3.15Å; E1701-N1703 VanDerWaalsContact C-N 3.35Å; N1703-I1705 PolarHBondContact O-N 3.42Å; N1703-C1707 WeakPolarHBondContact O-CB 3.49Å; N1703-C1707 PolarHBondContact O-N 3.03Å; N1703-C1707 VanDerWaalsContact O-N 3.16Å | ||
| 1704 | E | 73.1 | Confident | 78.5 | Confident | 85 Ų | 85 | 54 Ų | 54 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | -168.7 | -59.5 | -174 | -163.8 | 0 | 0 | 113 | K1702 L1706 C1707 V1708 S1810 I1813 | K1702-E1704 PolarHBondContact O-N 2.89Å; E1704-L1706 PolarHBondContact O-N 2.96Å; E1704-C1707 PolarHBondContact O-N 3.45Å; E1704-V1708 WeakPolarHBondContact O-CG2 3.42Å; E1704-V1708 PolarHBondContact O-N 2.87Å; E1704-S1810 WeakPolarHBondContact OE2-CB 3.39Å; E1704-S1810 PolarHBondContact OE2-OG 2.97Å; E1704-I1813 HydrophobicContact CB-CD1 4.48Å; E1704-I1813 HydrophobicContact CG-CD1 4.28Å |
| 1705 | I | 78.7 | Confident | 78.6 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 67% | 0.667 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | -176.5 | -58.5 | 170.8 | 0 | 0 | 0 | 111.6 | N1703 K1709 | N1703-I1705 PolarHBondContact O-N 3.42Å; I1705-K1709 WeakPolarHBondContact O-CG 3.28Å; I1705-K1709 PolarHBondContact O-N 2.6Å; I1705-K1709 VanDerWaalsContact O-N 3.12Å |
| 1706 | L | 80.3 | Confident | 78.6 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 178.9 | -75.5 | 170.3 | 0 | 0 | 0 | 111.4 | D1100 F1103 L1698 E1704 L1710 | D1100-L1706 HydrophobicContact CB-CD1 4.5Å; D1100-L1706 HydrophobicContact CB-CD2 4.29Å; F1103-L1706 HydrophobicContact CD2-CD2 4.3Å; L1698-L1706 HydrophobicContact CD1-CB 4.45Å; E1704-L1706 PolarHBondContact O-N 2.96Å; L1706-L1710 WeakPolarHBondContact O-CB 3.49Å; L1706-L1710 PolarHBondContact O-N 3.44Å |
| 1707 | C | 82.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | L1698 N1703 E1704 L1710 L1711 I1813 | L1698-C1707 HydrophobicContact CB-CB 4.17Å; N1703-C1707 WeakPolarHBondContact O-CB 3.49Å; N1703-C1707 PolarHBondContact O-N 3.03Å; N1703-C1707 VanDerWaalsContact O-N 3.16Å; E1704-C1707 PolarHBondContact O-N 3.45Å; C1707-L1710 PolarHBondContact O-N 3.22Å; C1707-L1711 WeakPolarHBondContact O-CG 3.41Å; C1707-L1711 PolarHBondContact O-N 2.87Å; C1707-I1813 HydrophobicContact CB-CD1 4.2Å |
| 1708 | V | 81.9 | Confident | 78.2 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | E1704 L1710 L1711 E1712 D1812 I1813 | E1704-V1708 WeakPolarHBondContact O-CG2 3.42Å; E1704-V1708 PolarHBondContact O-N 2.87Å; V1708-L1710 VanDerWaalsContact C-N 3.26Å; V1708-L1710 PolarHBondContact O-N 3.27Å; V1708-L1711 PolarHBondContact O-N 2.89Å; V1708-L1711 VanDerWaalsContact O-N 3.16Å; V1708-E1712 HydrophobicContact CG1-CG 4.48Å; V1708-E1712 WeakPolarHBondContact O-CG 3.3Å; V1708-E1712 PolarHBondContact O-N 3.31Å; V1708-D1812 HydrophobicContact CG2-CB 3.99Å; V1708-I1813 HydrophobicContact CG2-CG1 4.03Å |
| 1709 | K | 82.2 | Confident | 77.5 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57 | -40.3 | 174.7 | -75.3 | -177.6 | 177.9 | -172.8 | 0 | 112.3 | F1103 I1705 E1712 T1713 | F1103-K1709 HydrophobicContact CE2-CB 4.35Å; I1705-K1709 WeakPolarHBondContact O-CG 3.28Å; I1705-K1709 PolarHBondContact O-N 2.6Å; I1705-K1709 VanDerWaalsContact O-N 3.12Å; K1709-E1712 PolarHBondContact O-N 3.48Å; K1709-T1713 WeakPolarHBondContact O-CB 3.34Å; K1709-T1713 PolarHBondContact O-N 2.94Å; K1709-T1713 PolarHBondContact O-OG1 3.42Å |
| 1710 | L | 86.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 178.6 | -166.3 | 60.6 | 0 | 0 | 0 | 112 | L1099 F1103 L1691 C1695 L1698 L1706 C1707 V1708 T1713 I1714 | L1099-L1710 HydrophobicContact CD1-CD2 4.24Å; F1103-L1710 HydrophobicContact CZ-CD1 4.13Å; L1691-L1710 HydrophobicContact CD2-CD1 3.77Å; C1695-L1710 WeakPolarHBondContact SG-CD2 3.42Å; C1695-L1710 VanDerWaalsContact SG-CG 3.58Å; L1698-L1710 HydrophobicContact CD1-CD2 4.15Å; L1706-L1710 WeakPolarHBondContact O-CB 3.49Å; L1706-L1710 PolarHBondContact O-N 3.44Å; C1707-L1710 PolarHBondContact O-N 3.22Å; V1708-L1710 VanDerWaalsContact C-N 3.26Å; V1708-L1710 PolarHBondContact O-N 3.27Å; L1710-T1713 WeakPolarHBondContact O-CB 3.39Å; L1710-T1713 PolarHBondContact O-N 2.92Å; L1710-I1714 HydrophobicContact CG-CD1 4.41Å; L1710-I1714 VanDerWaalsContact O-CG1 3.31Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.41Å; L1710-I1714 PolarHBondContact O-N 3.38Å |
| 1711 | L | 84.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 173.6 | -72.3 | 171.3 | 0 | 0 | 0 | 112 | C1707 V1708 T1713 I1714 R1715 L1800 L1804 I1813 L1820 | C1707-L1711 WeakPolarHBondContact O-CG 3.41Å; C1707-L1711 PolarHBondContact O-N 2.87Å; V1708-L1711 PolarHBondContact O-N 2.89Å; V1708-L1711 VanDerWaalsContact O-N 3.16Å; L1711-T1713 VanDerWaalsContact C-N 3.31Å; L1711-T1713 PolarHBondContact O-N 3.35Å; L1711-I1714 PolarHBondContact O-N 2.83Å; L1711-R1715 VanDerWaalsContact O-CB 3.31Å; L1711-R1715 WeakPolarHBondContact O-CB 3.43Å; L1711-R1715 PolarHBondContact O-N 3.4Å; L1711-L1800 HydrophobicContact CD2-CD2 4.17Å; L1711-L1804 HydrophobicContact CD1-CD1 4.16Å; L1711-L1804 HydrophobicContact CD2-CD1 3.96Å; L1711-I1813 HydrophobicContact CD1-CG2 4.09Å; L1711-L1820 HydrophobicContact CD2-CD2 4.17Å |
| 1712 | E | 82.4 | Confident | 75 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 173.7 | -73.4 | 176.8 | 170.3 | 0 | 0 | 111.6 | V1708 K1709 R1715 S1716 | V1708-E1712 HydrophobicContact CG1-CG 4.48Å; V1708-E1712 WeakPolarHBondContact O-CG 3.3Å; V1708-E1712 PolarHBondContact O-N 3.31Å; K1709-E1712 PolarHBondContact O-N 3.48Å; E1712-R1715 WeakPolarHBondContact O-CB 3.47Å; E1712-R1715 PolarHBondContact O-N 3.14Å; E1712-S1716 WeakPolarHBondContact O-CB 3.24Å; E1712-S1716 PolarHBondContact O-N 3.35Å; E1712-S1716 PolarHBondContact O-OG 2.93Å |
| 1713 | T | 83.5 | Confident | 74.3 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.1 | F1103 V1661 L1664 K1709 L1710 L1711 R1715 S1716 M1717 | F1103-T1713 HydrophobicContact CE1-CG2 4.34Å; F1103-T1713 VanDerWaalsContact CE1-OG1 3.29Å; F1103-T1713 WeakPolarHBondContact CE1-OG1 3.41Å; F1103-T1713 WeakPolarHBondContact CZ-OG1 3.39Å; V1661-T1713 HydrophobicContact CG2-CG2 3.87Å; L1664-T1713 HydrophobicContact CD1-CG2 3.69Å; K1709-T1713 WeakPolarHBondContact O-CB 3.34Å; K1709-T1713 PolarHBondContact O-N 2.94Å; K1709-T1713 PolarHBondContact O-OG1 3.42Å; L1710-T1713 WeakPolarHBondContact O-CB 3.39Å; L1710-T1713 PolarHBondContact O-N 2.92Å; L1711-T1713 VanDerWaalsContact C-N 3.31Å; L1711-T1713 PolarHBondContact O-N 3.35Å; T1713-R1715 VanDerWaalsContact C-N 3.3Å; T1713-R1715 PolarHBondContact O-N 3.24Å; T1713-S1716 WeakPolarHBondContact CA-OG 3.36Å; T1713-S1716 PolarHBondContact O-N 3.24Å; T1713-S1716 PolarHBondContact O-OG 3.03Å; T1713-M1717 PolarHBondContact O-N 2.95Å |
| 1714 | I | 83.4 | Confident | 73.5 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.6 | -66.7 | 166.8 | 0 | 0 | 0 | 110.5 | L1710 L1711 S1716 M1717 L1792 L1820 | L1710-I1714 HydrophobicContact CG-CD1 4.41Å; L1710-I1714 VanDerWaalsContact O-CG1 3.31Å; L1710-I1714 WeakPolarHBondContact O-CG1 3.41Å; L1710-I1714 PolarHBondContact O-N 3.38Å; L1711-I1714 PolarHBondContact O-N 2.83Å; I1714-S1716 VanDerWaalsContact C-N 3.35Å; I1714-S1716 PolarHBondContact O-N 2.88Å; I1714-M1717 WeakPolarHBondContact O-CB 3.36Å; I1714-M1717 PolarHBondContact O-N 3.37Å; I1714-L1792 HydrophobicContact CG2-CD2 4.11Å; I1714-L1820 HydrophobicContact CG2-CD1 3.92Å; I1714-L1820 HydrophobicContact CG2-CD2 4.24Å |
| 1715 | R | 83.1 | Confident | 73.2 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 32% | 0.317 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 174.9 | 179.1 | -170.1 | 173.1 | 169.7 | 10.3 | 111.5 | L1711 E1712 T1713 M1717 V1718 E1819 L1820 T1823 | L1711-R1715 VanDerWaalsContact O-CB 3.31Å; L1711-R1715 WeakPolarHBondContact O-CB 3.43Å; L1711-R1715 PolarHBondContact O-N 3.4Å; E1712-R1715 WeakPolarHBondContact O-CB 3.47Å; E1712-R1715 PolarHBondContact O-N 3.14Å; T1713-R1715 VanDerWaalsContact C-N 3.3Å; T1713-R1715 PolarHBondContact O-N 3.24Å; R1715-M1717 PolarHBondContact O-N 3.01Å; R1715-V1718 WeakPolarHBondContact O-CB 3.43Å; R1715-V1718 PolarHBondContact O-N 2.9Å; R1715-V1718 VanDerWaalsContact O-N 3.09Å; R1715-E1819 IonicContact CZ-OE2 3.32Å; R1715-E1819 VanDerWaalsContact CZ-OE2 3.29Å; R1715-E1819 IonicContact NH1-OE2 3.8Å; R1715-E1819 PolarHBondContact NH1-OE2 2.96Å; R1715-E1819 IonicContact NH2-OE2 2.78Å; R1715-E1819 PolarHBondContact NH2-OE2 3.5Å; R1715-L1820 HydrophobicContact CB-CD1 4.1Å; R1715-T1823 HydrophobicContact CG-CG2 3.79Å |
| 1716 | S | 79.3 | Confident | 73 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.5 | -8.7 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | V1661 E1712 T1713 I1714 V1718 R1783 | V1661-S1716 WeakPolarHBondContact CG2-OG 3.35Å; E1712-S1716 WeakPolarHBondContact O-CB 3.24Å; E1712-S1716 PolarHBondContact O-N 3.35Å; E1712-S1716 PolarHBondContact O-OG 2.93Å; T1713-S1716 WeakPolarHBondContact CA-OG 3.36Å; T1713-S1716 PolarHBondContact O-N 3.24Å; T1713-S1716 PolarHBondContact O-OG 3.03Å; I1714-S1716 VanDerWaalsContact C-N 3.35Å; I1714-S1716 PolarHBondContact O-N 2.88Å; S1716-V1718 PolarHBondContact O-N 2.92Å; S1716-R1783 PolarHBondContact O-NH1 3.33Å; S1716-R1783 VanDerWaalsContact O-NH1 3.12Å |
| 1717 | M | 80.1 | Confident | 72.7 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 166.9 | -65.2 | 176 | 173 | 0 | 0 | 110.7 | V1661 L1664 Q1665 T1713 I1714 R1715 R1783 L1792 | V1661-M1717 HydrophobicContact CG1-CB 4.2Å; V1661-M1717 HydrophobicContact CG1-CG 3.55Å; L1664-M1717 HydrophobicContact CB-CE 3.77Å; Q1665-M1717 HydrophobicContact CB-CE 4.42Å; T1713-M1717 PolarHBondContact O-N 2.95Å; I1714-M1717 WeakPolarHBondContact O-CB 3.36Å; I1714-M1717 PolarHBondContact O-N 3.37Å; R1715-M1717 PolarHBondContact O-N 3.01Å; M1717-R1783 PolarHBondContact O-NH1 3.42Å; M1717-R1783 VanDerWaalsContact O-NH1 3.07Å; M1717-L1792 HydrophobicContact SD-CD2 4.33Å |
| 1718 | V | 72.2 | Confident | 72.4 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -79 | 119.7 | 172.9 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | R1715 S1716 S1720 L1785 V1788 Q1789 L1792 | R1715-V1718 WeakPolarHBondContact O-CB 3.43Å; R1715-V1718 PolarHBondContact O-N 2.9Å; R1715-V1718 VanDerWaalsContact O-N 3.09Å; S1716-V1718 PolarHBondContact O-N 2.92Å; V1718-S1720 PolarHBondContact O-N 3.43Å; V1718-L1785 HydrophobicContact CG1-CD1 3.34Å; V1718-V1788 HydrophobicContact CG2-CG1 4.43Å; V1718-Q1789 HydrophobicContact CG1-CG 4.35Å; V1718-L1792 HydrophobicContact CG2-CD1 3.62Å |
| 1719 | P | 64 | Low | 72.1 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 25% | 0.253 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 122.2 | -178.9 | 24.5 | -31.6 | 0 | 0 | 0 | 111.2 | R1783 L1785 | P1719-R1783 HydrophobicContact CB-CB 4.43Å; P1719-R1783 HydrophobicContact CG-CB 4Å; P1719-L1785 HydrophobicContact CG-CD1 4.15Å |
| 1720 | S | 55.9 | Low | 71.9 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 69% | 0.692 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 133.8 | 169.4 | 38.1 | 0 | 0 | 0 | 0 | 110.4 | V1718 G1722 | V1718-S1720 PolarHBondContact O-N 3.43Å; S1720-G1722 PolarHBondContact O-N 3.29Å |
| 1721 | T | 49.5 | Very low | 71.6 | Confident | 141 Ų | 141 | 62.7 Ų | 62.7 | 87% | 0.865 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -66 | -0.2 | -176 | 49.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1722 | G | 52.6 | Low | 71.4 | Confident | 50 Ų | 50 | 63 Ų | 63 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -72.6 | 134.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | S1720 V1724 | S1720-G1722 PolarHBondContact O-N 3.29Å; G1722-V1724 PolarHBondContact O-N 3.48Å |
| 1723 | R | 50.2 | Low | 71 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | trans | -61.7 | 106.8 | 169.3 | -71.3 | -170.1 | -164.7 | 170.4 | 7.5 | 108.9 | ||||
| 1724 | V | 58.1 | Low | 70.5 | Confident | 60 Ų | 60 | 65 Ų | 65 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -65.4 | 137.4 | 167.8 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | G1722 D1726 I1728 | G1722-V1724 PolarHBondContact O-N 3.48Å; V1724-D1726 PolarHBondContact O-N 3.37Å; V1724-I1728 HydrophobicContact CG1-CB 3.58Å; V1724-I1728 HydrophobicContact CG1-CD1 4.23Å; V1724-I1728 HydrophobicContact CG1-CG1 4.49Å; V1724-I1728 HydrophobicContact CG1-CG2 3.56Å | ||
| 1725 | S | 67.4 | Low | 70.2 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | trans | -57.8 | 138.2 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L1727 I1728 E1729 | S1725-L1727 PolarHBondContact O-N 3.31Å; S1725-L1727 PolarHBondContact OG-N 2.97Å; S1725-I1728 PolarHBondContact O-N 3.13Å; S1725-E1729 PolarHBondContact O-N 3.37Å | ||
| 1726 | D | 73.6 | Confident | 69.7 | Low | 129 Ų | 129 | 61.4 Ų | 61.4 | 69% | 0.69 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -48.5 | -33.4 | 176.2 | -63.2 | -22.3 | 0 | 0 | 0 | 112.8 | V1724 E1729 T1730 | V1724-D1726 PolarHBondContact O-N 3.37Å; D1726-E1729 PolarHBondContact O-N 2.95Å; D1726-T1730 WeakPolarHBondContact O-CB 3.37Å; D1726-T1730 PolarHBondContact O-N 3.42Å; D1726-T1730 PolarHBondContact O-OG1 3.48Å |
| 1727 | L | 75.3 | Confident | 69.3 | Low | 100 Ų | 100 | 61 Ų | 61 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 177.5 | -178.8 | 63.3 | 0 | 0 | 0 | 112.5 | P1651 S1725 T1730 C1731 | P1651-L1727 HydrophobicContact CB-CD2 4.24Å; P1651-L1727 HydrophobicContact CB-CG 4.39Å; P1651-L1727 HydrophobicContact CG-CD2 4.05Å; S1725-L1727 PolarHBondContact O-N 3.31Å; S1725-L1727 PolarHBondContact OG-N 2.97Å; L1727-T1730 PolarHBondContact O-N 2.89Å; L1727-C1731 PolarHBondContact O-N 3.47Å; L1727-C1731 PolarHBondContact O-SG 3.06Å |
| 1728 | I | 76.2 | Confident | 68.6 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 179.2 | -64.3 | 170.6 | 0 | 0 | 0 | 109.5 | P1651 I1654 M1658 V1724 S1725 T1730 C1731 H1732 | P1651-I1728 HydrophobicContact CB-CG1 4Å; I1654-I1728 HydrophobicContact CD1-CD1 4.36Å; I1654-I1728 HydrophobicContact CG2-CG2 4.19Å; M1658-I1728 HydrophobicContact SD-CG2 3.96Å; V1724-I1728 HydrophobicContact CG1-CB 3.58Å; V1724-I1728 HydrophobicContact CG1-CD1 4.23Å; V1724-I1728 HydrophobicContact CG1-CG1 4.49Å; V1724-I1728 HydrophobicContact CG1-CG2 3.56Å; S1725-I1728 PolarHBondContact O-N 3.13Å; I1728-T1730 VanDerWaalsContact C-N 3.31Å; I1728-T1730 PolarHBondContact O-N 3.46Å; I1728-C1731 PolarHBondContact O-N 2.89Å; I1728-H1732 VanDerWaalsContact O-CB 3.28Å; I1728-H1732 WeakPolarHBondContact O-CB 3.3Å; I1728-H1732 PolarHBondContact O-N 3.07Å |
| 1729 | E | 75.3 | Confident | 68.4 | Low | 76 Ų | 76 | 62.9 Ų | 62.9 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 178.7 | -152.3 | -168.3 | 139.4 | 0 | 0 | 111.9 | S1725 D1726 H1732 K1733 | S1725-E1729 PolarHBondContact O-N 3.37Å; D1726-E1729 PolarHBondContact O-N 2.95Å; E1729-H1732 PolarHBondContact O-N 3.18Å; E1729-K1733 WeakPolarHBondContact O-CG 3.38Å; E1729-K1733 PolarHBondContact O-N 3.01Å; E1729-K1733 WeakPolarHBondContact OE1-CE 3.43Å; E1729-K1733 IonicContact OE1-NZ 2.87Å; E1729-K1733 PolarHBondContact OE1-NZ 3.16Å |
| 1730 | T | 76.7 | Confident | 68.5 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 173.1 | -48.6 | 0 | 0 | 0 | 0 | 111 | D1726 L1727 I1728 H1732 K1733 E1734 | D1726-T1730 WeakPolarHBondContact O-CB 3.37Å; D1726-T1730 PolarHBondContact O-N 3.42Å; D1726-T1730 PolarHBondContact O-OG1 3.48Å; L1727-T1730 PolarHBondContact O-N 2.89Å; I1728-T1730 VanDerWaalsContact C-N 3.31Å; I1728-T1730 PolarHBondContact O-N 3.46Å; T1730-H1732 VanDerWaalsContact C-N 3.3Å; T1730-H1732 PolarHBondContact O-N 3.14Å; T1730-K1733 PolarHBondContact O-N 3.12Å; T1730-E1734 WeakPolarHBondContact O-CG 3.38Å; T1730-E1734 PolarHBondContact O-N 3.27Å |
| 1731 | C | 80.8 | Confident | 68.5 | Low | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | M1652 A1655 L1727 I1728 E1734 L1735 | M1652-C1731 HydrophobicContact CG-CB 4.3Å; A1655-C1731 HydrophobicContact CB-CB 3.78Å; L1727-C1731 PolarHBondContact O-N 3.47Å; L1727-C1731 PolarHBondContact O-SG 3.06Å; I1728-C1731 PolarHBondContact O-N 2.89Å; C1731-E1734 PolarHBondContact O-N 3.16Å; C1731-L1735 WeakPolarHBondContact O-CB 3.38Å; C1731-L1735 WeakPolarHBondContact O-CG 3.31Å; C1731-L1735 PolarHBondContact O-N 3.13Å |
| 1732 | H | 79.5 | Confident | 68.7 | Low | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 177.3 | -177 | -164.5 | 0 | 0 | 0 | 111.2 | A1655 D1662 I1728 E1729 T1730 L1735 L1736 | A1655-H1732 HydrophobicContact CB-CB 4.21Å; D1662-H1732 IonicContact OD2-CD2 2.64Å; D1662-H1732 IonicContact OD2-CE1 3.63Å; D1662-H1732 PolarHBondContact OD2-CE1 2.87Å; D1662-H1732 VanDerWaalsContact OD2-CE1 3.31Å; D1662-H1732 IonicContact OD2-NE2 3.93Å; D1662-H1732 PolarHBondContact OD2-NE2 3.42Å; I1728-H1732 VanDerWaalsContact O-CB 3.28Å; I1728-H1732 WeakPolarHBondContact O-CB 3.3Å; I1728-H1732 PolarHBondContact O-N 3.07Å; E1729-H1732 PolarHBondContact O-N 3.18Å; T1730-H1732 VanDerWaalsContact C-N 3.3Å; T1730-H1732 PolarHBondContact O-N 3.14Å; H1732-L1735 PolarHBondContact O-N 3.09Å; H1732-L1736 VanDerWaalsContact CD2-CD1 3.49Å; H1732-L1736 WeakPolarHBondContact CD2-CD1 3.45Å; H1732-L1736 VanDerWaalsContact NE2-CD1 3.34Å; H1732-L1736 WeakPolarHBondContact NE2-CD1 3.46Å; H1732-L1736 WeakPolarHBondContact O-CB 3.44Å; H1732-L1736 PolarHBondContact O-N 3.39Å |
| 1733 | K | 75.2 | Confident | 68.2 | Low | 79 Ų | 79 | 58 Ų | 58 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.4 | -74.5 | 168.1 | -175 | 158.4 | 0 | 112.2 | E1729 T1730 L1737 L1781 | E1729-K1733 WeakPolarHBondContact O-CG 3.38Å; E1729-K1733 PolarHBondContact O-N 3.01Å; E1729-K1733 WeakPolarHBondContact OE1-CE 3.43Å; E1729-K1733 IonicContact OE1-NZ 2.87Å; E1729-K1733 PolarHBondContact OE1-NZ 3.16Å; T1730-K1733 PolarHBondContact O-N 3.12Å; K1733-L1737 WeakPolarHBondContact O-CB 3.42Å; K1733-L1737 VanDerWaalsContact O-CG 3.27Å; K1733-L1737 WeakPolarHBondContact O-CG 3.48Å; K1733-L1737 PolarHBondContact O-N 3.39Å; K1733-L1781 HydrophobicContact CD-CD1 4.35Å; K1733-L1781 HydrophobicContact CG-CD1 3.98Å |
| 1734 | E | 72.9 | Confident | 67.4 | Low | 93 Ų | 93 | 57.3 Ų | 57.3 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 178.8 | -73.6 | -174.8 | 166.3 | 0 | 0 | 112.4 | T1730 C1731 A1738 | T1730-E1734 WeakPolarHBondContact O-CG 3.38Å; T1730-E1734 PolarHBondContact O-N 3.27Å; C1731-E1734 PolarHBondContact O-N 3.16Å; E1734-A1738 WeakPolarHBondContact O-CB 3.47Å; E1734-A1738 PolarHBondContact O-N 2.95Å |
| 1735 | L | 75.9 | Confident | 65.9 | Low | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 177.6 | -72 | 172.4 | 0 | 0 | 0 | 112 | L1069 A1655 E1656 V1659 C1731 H1732 L1737 A1738 Y1739 | L1069-L1735 HydrophobicContact CD2-CD2 4.06Å; A1655-L1735 HydrophobicContact CB-CD1 3.79Å; E1656-L1735 HydrophobicContact CB-CD1 4.49Å; E1656-L1735 HydrophobicContact CG-CD1 3.81Å; V1659-L1735 HydrophobicContact CG2-CB 3.7Å; C1731-L1735 WeakPolarHBondContact O-CB 3.38Å; C1731-L1735 WeakPolarHBondContact O-CG 3.31Å; C1731-L1735 PolarHBondContact O-N 3.13Å; H1732-L1735 PolarHBondContact O-N 3.09Å; L1735-L1737 VanDerWaalsContact C-N 3.33Å; L1735-L1737 PolarHBondContact O-N 3Å; L1735-A1738 WeakPolarHBondContact O-CB 3.45Å; L1735-A1738 PolarHBondContact O-N 3.3Å; L1735-A1738 VanDerWaalsContact O-N 3.09Å; L1735-Y1739 VanDerWaalsContact O-CD2 3.28Å; L1735-Y1739 WeakPolarHBondContact O-CD2 3.17Å; L1735-Y1739 PolarHBondContact O-N 3.41Å |
| 1736 | L | 73.6 | Confident | 63.9 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.4 | -49.9 | 173.9 | -95.5 | 158.6 | 0 | 0 | 0 | 111.3 | V1659 D1662 H1732 A1738 Y1739 F1740 I1780 L1781 | V1659-L1736 HydrophobicContact CG1-CG 4.48Å; V1659-L1736 HydrophobicContact CG2-CG 4.23Å; D1662-L1736 HydrophobicContact CB-CD2 4.41Å; H1732-L1736 VanDerWaalsContact CD2-CD1 3.49Å; H1732-L1736 WeakPolarHBondContact CD2-CD1 3.45Å; H1732-L1736 VanDerWaalsContact NE2-CD1 3.34Å; H1732-L1736 WeakPolarHBondContact NE2-CD1 3.46Å; H1732-L1736 WeakPolarHBondContact O-CB 3.44Å; H1732-L1736 PolarHBondContact O-N 3.39Å; L1736-A1738 VanDerWaalsContact C-N 3.28Å; L1736-A1738 PolarHBondContact O-N 3.5Å; L1736-Y1739 PolarHBondContact O-N 3.23Å; L1736-F1740 HydrophobicContact CD2-CD2 3.99Å; L1736-F1740 HydrophobicContact CD2-CE2 3.28Å; L1736-F1740 HydrophobicContact CD2-CZ 4.04Å; L1736-F1740 WeakPolarHBondContact O-CD2 3.44Å; L1736-F1740 PolarHBondContact O-N 2.98Å; L1736-I1780 HydrophobicContact CD2-CD1 4.49Å; L1736-L1781 HydrophobicContact CD1-CD2 4.47Å |
| 1737 | L | 70.6 | Confident | 61.5 | Low | 44 Ų | 44 | 60.5 Ų | 60.5 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 178.1 | -71 | 170.5 | 0 | 0 | 0 | 112.5 | K1733 L1735 G1741 I1742 Y1743 V1777 | K1733-L1737 WeakPolarHBondContact O-CB 3.42Å; K1733-L1737 VanDerWaalsContact O-CG 3.27Å; K1733-L1737 WeakPolarHBondContact O-CG 3.48Å; K1733-L1737 PolarHBondContact O-N 3.39Å; L1735-L1737 VanDerWaalsContact C-N 3.33Å; L1735-L1737 PolarHBondContact O-N 3Å; L1737-G1741 PolarHBondContact O-N 3.06Å; L1737-G1741 VanDerWaalsContact O-N 3.11Å; L1737-I1742 HydrophobicContact CD2-CB 4.16Å; L1737-I1742 HydrophobicContact CD2-CD1 4Å; L1737-I1742 HydrophobicContact CD2-CG2 4.29Å; L1737-I1742 PolarHBondContact O-N 3.05Å; L1737-I1742 VanDerWaalsContact O-N 3.14Å; L1737-Y1743 HydrophobicContact CB-CE2 4.01Å; L1737-V1777 HydrophobicContact CD2-CG2 4.22Å |
| 1738 | A | 66.5 | Low | 59.1 | Low | 44 Ų | 44 | 60.9 Ų | 60.9 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1734 L1735 L1736 G1741 | E1734-A1738 WeakPolarHBondContact O-CB 3.47Å; E1734-A1738 PolarHBondContact O-N 2.95Å; L1735-A1738 WeakPolarHBondContact O-CB 3.45Å; L1735-A1738 PolarHBondContact O-N 3.3Å; L1735-A1738 VanDerWaalsContact O-N 3.09Å; L1736-A1738 VanDerWaalsContact C-N 3.28Å; L1736-A1738 PolarHBondContact O-N 3.5Å; A1738-G1741 PolarHBondContact O-N 3.31Å |
| 1739 | Y | 67.8 | Low | 56.7 | Low | 8 Ų | 8 | 65.2 Ų | 65.2 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67 | -34.7 | 177.8 | -85.8 | -80.8 | 0 | 0 | 0 | 112.5 | I1070 L1080 N1105 F1106 V1659 I1663 L1735 L1736 | I1070-Y1739 HydrophobicContact CD1-CD1 3.22Å; I1070-Y1739 HydrophobicContact CD1-CD2 4.24Å; I1070-Y1739 HydrophobicContact CD1-CE1 3.27Å; I1070-Y1739 HydrophobicContact CD1-CE2 4.28Å; I1070-Y1739 HydrophobicContact CD1-CG 3.73Å; I1070-Y1739 HydrophobicContact CG1-CD1 4.05Å; I1070-Y1739 HydrophobicContact CG1-CE1 3.57Å; L1080-Y1739 HydrophobicContact CD1-CD1 3.97Å; L1080-Y1739 HydrophobicContact CD1-CE1 4.49Å; N1105-Y1739 PolarHBondContact O-OH 2.81Å; F1106-Y1739 HydrophobicContact CD1-CE1 4.39Å; F1106-Y1739 HydrophobicContact CD1-CE2 4.23Å; F1106-Y1739 AromaticContact CD1-CZ 3.86Å; F1106-Y1739 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1739 HydrophobicContact CE1-CD2 4.3Å; F1106-Y1739 AromaticContact CE1-CE1 3.55Å; F1106-Y1739 HydrophobicContact CE1-CE1 3.55Å; F1106-Y1739 AromaticContact CE1-CE2 3.79Å; F1106-Y1739 HydrophobicContact CE1-CE2 3.79Å; F1106-Y1739 HydrophobicContact CE1-CG 4.46Å; F1106-Y1739 AromaticContact CE1-CZ 3.39Å; F1106-Y1739 HydrophobicContact CZ-CD1 4.29Å; F1106-Y1739 AromaticContact CZ-CE1 3.84Å; F1106-Y1739 HydrophobicContact CZ-CE1 3.84Å; V1659-Y1739 HydrophobicContact CG1-CD2 3.75Å; V1659-Y1739 HydrophobicContact CG1-CE2 4.26Å; V1659-Y1739 HydrophobicContact CG1-CG 4.25Å; I1663-Y1739 HydrophobicContact CD1-CD1 4.44Å; I1663-Y1739 HydrophobicContact CD1-CG 4.48Å; L1735-Y1739 VanDerWaalsContact O-CD2 3.28Å; L1735-Y1739 WeakPolarHBondContact O-CD2 3.17Å; L1735-Y1739 PolarHBondContact O-N 3.41Å; L1736-Y1739 PolarHBondContact O-N 3.23Å |
| 1740 | F | 64.3 | Low | 54.4 | Low | 16 Ų | 16 | 66.9 Ų | 66.9 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.2 | 175.1 | -64.4 | -48.3 | 0 | 0 | 0 | 114.4 | K1077 V1669 V1670 L1736 I1742 I1780 | K1077-F1740 VanDerWaalsContact CE-C 3.47Å; K1077-F1740 WeakPolarHBondContact CE-O 3.25Å; K1077-F1740 PolarHBondContact NZ-O 3.45Å; V1669-F1740 HydrophobicContact CB-CE1 3.95Å; V1669-F1740 HydrophobicContact CB-CZ 4.13Å; V1669-F1740 HydrophobicContact CG1-CD1 3.88Å; V1669-F1740 HydrophobicContact CG1-CE1 3.41Å; V1669-F1740 VanDerWaalsContact CG1-CE1 3.41Å; V1669-F1740 HydrophobicContact CG1-CE2 4.21Å; V1669-F1740 HydrophobicContact CG1-CZ 3.6Å; V1670-F1740 HydrophobicContact CG2-CE1 4.48Å; L1736-F1740 HydrophobicContact CD2-CD2 3.99Å; L1736-F1740 HydrophobicContact CD2-CE2 3.28Å; L1736-F1740 HydrophobicContact CD2-CZ 4.04Å; L1736-F1740 WeakPolarHBondContact O-CD2 3.44Å; L1736-F1740 PolarHBondContact O-N 2.98Å; F1740-I1742 HydrophobicContact CB-CD1 3.83Å; F1740-I1742 HydrophobicContact CB-CG1 4.21Å; F1740-I1780 HydrophobicContact CE2-CD1 3.88Å; F1740-I1780 HydrophobicContact CZ-CD1 4.12Å |
| 1741 | G | 56.9 | Low | 52.1 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 28.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1737 A1738 | L1737-G1741 PolarHBondContact O-N 3.06Å; L1737-G1741 VanDerWaalsContact O-N 3.11Å; A1738-G1741 PolarHBondContact O-N 3.31Å |
| 1742 | I | 52.7 | Low | 49.7 | Very low | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.185 | 46% | 0.459 | C | S | . | . | trans | -85.7 | -5 | -170.4 | -62.3 | 160.1 | 0 | 0 | 0 | 113.4 | L1737 F1740 Q1744 L1769 | L1737-I1742 HydrophobicContact CD2-CB 4.16Å; L1737-I1742 HydrophobicContact CD2-CD1 4Å; L1737-I1742 HydrophobicContact CD2-CG2 4.29Å; L1737-I1742 PolarHBondContact O-N 3.05Å; L1737-I1742 VanDerWaalsContact O-N 3.14Å; F1740-I1742 HydrophobicContact CB-CD1 3.83Å; F1740-I1742 HydrophobicContact CB-CG1 4.21Å; I1742-Q1744 PolarHBondContact O-N 2.93Å; I1742-L1769 HydrophobicContact CG2-CD2 3.64Å | ||
| 1743 | Y | 43.8 | Very low | 47.3 | Very low | 136 Ų | 136 | 87.7 Ų | 87.7 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | trans | -67.8 | 92.7 | 176.5 | -82.4 | -85.2 | 0 | 0 | 0 | 112.3 | L1737 | L1737-Y1743 HydrophobicContact CB-CE2 4.01Š| ||
| 1744 | Q | 32.2 | Very low | 45 | Very low | 159 Ų | 159 | 91.2 Ų | 91.2 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | trans | -67.5 | 145.3 | 168.8 | -77.5 | -171.7 | -1.8 | 0 | 0 | 112 | I1742 S1746 | I1742-Q1744 PolarHBondContact O-N 2.93Å; Q1744-S1746 PolarHBondContact O-N 2.99Å | ||
| 1745 | S | 27.7 | Very low | 42.7 | Very low | 103 Ų | 103 | 91.9 Ų | 91.9 | 72% | 0.72 | 52% | 0.519 | S | S | * | . | trans | -55.3 | 121.1 | 172 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1746 | S | 24.5 | Very low | 40.5 | Very low | 115 Ų | 115 | 100.7 Ų | 100.7 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | trans | -135.6 | 103.6 | 152 | -71.8 | 0 | 0 | 0 | 0 | 108.7 | Q1744 S1748 | Q1744-S1746 PolarHBondContact O-N 2.99Å; S1746-S1748 PolarHBondContact O-N 2.94Å | ||
| 1747 | S | 24.2 | Very low | 38.3 | Very low | 106 Ų | 106 | 105 Ų | 105 | 74% | 0.741 | 58% | 0.583 | S | S | * | * | trans | -59.1 | 108.2 | 161.1 | 47.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1748 | S | 25 | Very low | 36.2 | Very low | 108 Ų | 108 | 108.3 Ų | 108.3 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | trans | 169.9 | 136.8 | 141.3 | 43.6 | 0 | 0 | 0 | 0 | 111.6 | S1746 S1750 | S1746-S1748 PolarHBondContact O-N 2.94Å; S1748-S1750 PolarHBondContact O-N 3.19Å | ||
| 1749 | S | 25.4 | Very low | 34.4 | Very low | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -58.6 | 108.5 | 173.3 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1750 | S | 26.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | trans | 164.6 | 76.9 | 149.5 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | S1748 | S1748-S1750 PolarHBondContact O-N 3.19Š| ||
| 1751 | R | 28 | Very low | 30.6 | Very low | 194 Ų | 194 | 120.3 Ų | 120.3 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | trans | -128.8 | -8.3 | 178.6 | -144.2 | 171.5 | -179.5 | 169.7 | -0.5 | 116.1 | Q1753 | R1751-Q1753 VanDerWaalsContact C-N 3.33Å; R1751-Q1753 PolarHBondContact O-N 2.91Å | ||
| 1752 | T | 30.9 | Very low | 29.1 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -17.1 | -179.4 | 36.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1753 | Q | 28 | Very low | 27.8 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -7.6 | 179.5 | -86.4 | -177.6 | -17.1 | 0 | 0 | 116.1 | R1751 | R1751-Q1753 VanDerWaalsContact C-N 3.33Å; R1751-Q1753 PolarHBondContact O-N 2.91Å |
| 1754 | K | 26.7 | Very low | 27 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -2.9 | 178.4 | -87 | -175.2 | 175.3 | -179 | 0 | 115.5 | K1756 T1757 L1758 | K1754-K1756 VanDerWaalsContact C-N 3.33Å; K1754-K1756 PolarHBondContact O-N 3.16Å; K1754-T1757 PolarHBondContact O-N 3.04Å; K1754-T1757 PolarHBondContact O-OG1 3.34Å; K1754-L1758 PolarHBondContact O-N 3.5Å |
| 1755 | L | 26 | Very low | 26.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 57% | 0.565 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -69.7 | -28.2 | 176.7 | -99.3 | 155.9 | 0 | 0 | 0 | 113.1 | T1757 | L1755-T1757 VanDerWaalsContact C-N 3.34Å |
| 1756 | K | 29 | Very low | 26.6 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -73.5 | -21.9 | 175.3 | -85 | -172.7 | 174 | -176.6 | 0 | 114.1 | K1754 | K1754-K1756 VanDerWaalsContact C-N 3.33Å; K1754-K1756 PolarHBondContact O-N 3.16Å |
| 1757 | T | 28.4 | Very low | 26.8 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 55% | 0.552 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -97.7 | -10.4 | -178.4 | 21.4 | 0 | 0 | 0 | 0 | 114.4 | K1754 L1755 | K1754-T1757 PolarHBondContact O-N 3.04Å; K1754-T1757 PolarHBondContact O-OG1 3.34Å; L1755-T1757 VanDerWaalsContact C-N 3.34Å |
| 1758 | L | 25.8 | Very low | 27.3 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 59% | 0.592 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -90.5 | -11.3 | 176.3 | -73.6 | 171.5 | 0 | 0 | 0 | 114 | K1754 | K1754-L1758 PolarHBondContact O-N 3.5Å |
| 1759 | L | 28.8 | Very low | 27.6 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -87.3 | -3.4 | -180 | -72.5 | 167 | 0 | 0 | 0 | 113.7 | ||
| 1760 | S | 26.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -113.8 | 11 | -176.3 | 66.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1761 | S | 25.3 | Very low | 29.3 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 52% | 0.517 | 70% | 0.698 | S | S | . | * | trans | -136.6 | 104.1 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 112 | E1763 | S1761-E1763 PolarHBondContact O-N 3.48Š| ||
| 1762 | S | 26.1 | Very low | 30.4 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 93% | 0.93 | 69% | 0.688 | S | S | * | * | trans | -74.2 | 28.1 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1763 | E | 25.4 | Very low | 31.3 | Very low | 165 Ų | 165 | 116.2 Ų | 116.2 | 77% | 0.771 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -118.4 | 106.5 | -177.7 | -73.8 | -173.2 | 162.2 | 0 | 0 | 111.8 | S1761 | S1761-E1763 PolarHBondContact O-N 3.48Š|
| 1764 | V | 26.1 | Very low | 32.4 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 78% | 0.782 | 64% | 0.635 | S | S | * | * | trans | 30.6 | 93 | 145.2 | -166.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1765 | V | 25.8 | Very low | 33.8 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | trans | -114.9 | 84.1 | 153.7 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | G1767 | V1765-G1767 PolarHBondContact O-N 3.03Š| ||
| 1766 | S | 26 | Very low | 35.5 | Very low | 108 Ų | 108 | 104.6 Ų | 104.6 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | trans | -69.7 | 98.5 | 163.9 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1767 | G | 29.1 | Very low | 37.1 | Very low | 52 Ų | 52 | 96.1 Ų | 96.1 | 54% | 0.536 | 58% | 0.576 | S | S | . | * | trans | -176 | 107.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1765 | V1765-G1767 PolarHBondContact O-N 3.03Š| ||
| 1768 | Q | 34.2 | Very low | 38.9 | Very low | 192 Ų | 192 | 99 Ų | 99 | 90% | 0.897 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 85.7 | 26.3 | 153.4 | -51 | -175.1 | -11.6 | 0 | 0 | 119.5 | ||
| 1769 | L | 31.5 | Very low | 40.6 | Very low | 70 Ų | 70 | 99.5 Ų | 99.5 | 37% | 0.366 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -106.7 | 139.4 | 148.5 | -83.2 | 156 | 0 | 0 | 0 | 106.6 | I1742 D1771 Q1774 | I1742-L1769 HydrophobicContact CG2-CD2 3.64Å; L1769-D1771 PolarHBondContact O-N 2.91Å; L1769-Q1774 HydrophobicContact CB-CG 3.99Å; L1769-Q1774 HydrophobicContact CD1-CG 4.26Å |
| 1770 | S | 44 | Very low | 42.4 | Very low | 65 Ų | 65 | 92.9 Ų | 92.9 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | trans | -55.2 | 126.7 | 176.8 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | S1772 S1773 | S1770-S1772 PolarHBondContact O-N 3.37Å; S1770-S1773 PolarHBondContact O-N 3.14Å; S1770-S1773 PolarHBondContact OG-OG 2.92Å | ||
| 1771 | D | 45.1 | Very low | 44.2 | Very low | 138 Ų | 138 | 90.7 Ų | 90.7 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -51.5 | -30.5 | -173.2 | -73.3 | -33.2 | 0 | 0 | 0 | 113.2 | L1769 S1773 A1775 | L1769-D1771 PolarHBondContact O-N 2.91Å; D1771-S1773 PolarHBondContact O-N 3.41Å; D1771-A1775 VanDerWaalsContact O-CB 3.29Å; D1771-A1775 WeakPolarHBondContact O-CB 3.47Å; D1771-A1775 PolarHBondContact O-N 3.48Å |
| 1772 | S | 50 | Low | 45.9 | Very low | 73 Ų | 73 | 91.2 Ų | 91.2 | 51% | 0.51 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -41 | 175.6 | 54 | 0 | 0 | 0 | 0 | 113.5 | S1770 A1775 I1776 | S1770-S1772 PolarHBondContact O-N 3.37Å; S1772-A1775 PolarHBondContact O-N 3.29Å; S1772-I1776 VanDerWaalsContact O-CG1 3.3Å; S1772-I1776 WeakPolarHBondContact O-CG1 3.46Å; S1772-I1776 PolarHBondContact O-N 3.33Å; S1772-I1776 VanDerWaalsContact O-N 3.09Å |
| 1773 | S | 49.2 | Very low | 47.6 | Very low | 24 Ų | 24 | 87.7 Ų | 87.7 | 17% | 0.168 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -78 | -36.4 | -173.9 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | S1770 D1771 A1775 V1777 | S1770-S1773 PolarHBondContact O-N 3.14Å; S1770-S1773 PolarHBondContact OG-OG 2.92Å; D1771-S1773 PolarHBondContact O-N 3.41Å; S1773-A1775 VanDerWaalsContact C-N 3.35Å; S1773-V1777 WeakPolarHBondContact O-CG2 3.4Å; S1773-V1777 PolarHBondContact O-N 3.17Å |
| 1774 | Q | 52.7 | Low | 49.5 | Very low | 93 Ų | 93 | 84.2 Ų | 84.2 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 170.7 | -75.6 | -169.2 | -8.2 | 0 | 0 | 111.2 | L1769 V1777 K1778 | L1769-Q1774 HydrophobicContact CB-CG 3.99Å; L1769-Q1774 HydrophobicContact CD1-CG 4.26Å; Q1774-V1777 PolarHBondContact O-N 3.43Å; Q1774-K1778 WeakPolarHBondContact O-CB 3.31Å; Q1774-K1778 PolarHBondContact O-N 3.09Å |
| 1775 | A | 56.5 | Low | 51.5 | Low | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1771 S1772 S1773 K1778 E1779 | D1771-A1775 VanDerWaalsContact O-CB 3.29Å; D1771-A1775 WeakPolarHBondContact O-CB 3.47Å; D1771-A1775 PolarHBondContact O-N 3.48Å; S1772-A1775 PolarHBondContact O-N 3.29Å; S1773-A1775 VanDerWaalsContact C-N 3.35Å; A1775-K1778 PolarHBondContact O-N 2.9Å; A1775-E1779 WeakPolarHBondContact O-CB 3.44Å; A1775-E1779 PolarHBondContact O-N 3.2Å |
| 1776 | I | 60.8 | Low | 53.5 | Low | 50 Ų | 50 | 76.7 Ų | 76.7 | 26% | 0.256 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 178 | -65.6 | 161.9 | 0 | 0 | 0 | 111.5 | V1669 S1772 K1778 E1779 I1780 | V1669-I1776 HydrophobicContact CG1-CG2 3.87Å; V1669-I1776 HydrophobicContact CG2-CG2 4.21Å; S1772-I1776 VanDerWaalsContact O-CG1 3.3Å; S1772-I1776 WeakPolarHBondContact O-CG1 3.46Å; S1772-I1776 PolarHBondContact O-N 3.33Å; S1772-I1776 VanDerWaalsContact O-N 3.09Å; I1776-K1778 VanDerWaalsContact C-N 3.29Å; I1776-K1778 PolarHBondContact O-N 3.32Å; I1776-E1779 PolarHBondContact O-N 3.17Å; I1776-I1780 HydrophobicContact CG2-CD1 3.88Å; I1776-I1780 WeakPolarHBondContact O-CG1 3.47Å; I1776-I1780 PolarHBondContact O-N 3.16Å |
| 1777 | V | 63.1 | Low | 55.7 | Low | 19 Ų | 19 | 78.5 Ų | 78.5 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 179 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | L1737 S1773 Q1774 E1779 L1781 | L1737-V1777 HydrophobicContact CD2-CG2 4.22Å; S1773-V1777 WeakPolarHBondContact O-CG2 3.4Å; S1773-V1777 PolarHBondContact O-N 3.17Å; Q1774-V1777 PolarHBondContact O-N 3.43Å; V1777-E1779 VanDerWaalsContact C-N 3.35Å; V1777-L1781 HydrophobicContact CG1-CD1 3.72Å; V1777-L1781 HydrophobicContact CG1-CG 4.41Å; V1777-L1781 WeakPolarHBondContact O-CB 3.44Å; V1777-L1781 WeakPolarHBondContact O-CD1 3.25Å; V1777-L1781 WeakPolarHBondContact O-CG 3.22Å; V1777-L1781 PolarHBondContact O-N 3.46Å |
| 1778 | K | 65.1 | Low | 57.7 | Low | 151 Ų | 151 | 76.6 Ų | 76.6 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.7 | -35 | 177.3 | -158.7 | 176.4 | -173.1 | -177.1 | 0 | 111.5 | Q1774 A1775 I1776 S1782 | Q1774-K1778 WeakPolarHBondContact O-CB 3.31Å; Q1774-K1778 PolarHBondContact O-N 3.09Å; A1775-K1778 PolarHBondContact O-N 2.9Å; I1776-K1778 VanDerWaalsContact C-N 3.29Å; I1776-K1778 PolarHBondContact O-N 3.32Å; K1778-S1782 WeakPolarHBondContact O-CB 3.49Å; K1778-S1782 PolarHBondContact O-N 3.11Å; K1778-S1782 PolarHBondContact O-OG 3.41Å |
| 1779 | E | 62.6 | Low | 59.7 | Low | 123 Ų | 123 | 67.7 Ų | 67.7 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 174.6 | -169.9 | 171.1 | -171.3 | 0 | 0 | 111.8 | A1775 I1776 V1777 L1781 S1782 | A1775-E1779 WeakPolarHBondContact O-CB 3.44Å; A1775-E1779 PolarHBondContact O-N 3.2Å; I1776-E1779 PolarHBondContact O-N 3.17Å; V1777-E1779 VanDerWaalsContact C-N 3.35Å; E1779-L1781 VanDerWaalsContact C-N 3.31Å; E1779-L1781 PolarHBondContact O-N 3.24Å; E1779-S1782 PolarHBondContact O-N 3.23Å |
| 1780 | I | 66.5 | Low | 61.8 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.2 | -65.8 | 167.3 | 0 | 0 | 0 | 111.4 | D1662 Y1666 L1736 F1740 I1776 | D1662-I1780 HydrophobicContact CB-CG2 3.93Å; Y1666-I1780 HydrophobicContact CD2-CG1 4.04Å; Y1666-I1780 HydrophobicContact CD2-CG2 4.41Å; Y1666-I1780 HydrophobicContact CE2-CG1 4.4Å; Y1666-I1780 HydrophobicContact CE2-CG2 4.49Å; Y1666-I1780 HydrophobicContact CG-CG1 4.49Å; L1736-I1780 HydrophobicContact CD2-CD1 4.49Å; F1740-I1780 HydrophobicContact CE2-CD1 3.88Å; F1740-I1780 HydrophobicContact CZ-CD1 4.12Å; I1776-I1780 HydrophobicContact CG2-CD1 3.88Å; I1776-I1780 WeakPolarHBondContact O-CG1 3.47Å; I1776-I1780 PolarHBondContact O-N 3.16Å |
| 1781 | L | 64.2 | Low | 63.3 | Low | 57 Ų | 57 | 71 Ų | 71 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -78.4 | -24.9 | -179.5 | -67.8 | 169.3 | 0 | 0 | 0 | 113.2 | K1733 L1736 V1777 E1779 R1783 | K1733-L1781 HydrophobicContact CD-CD1 4.35Å; K1733-L1781 HydrophobicContact CG-CD1 3.98Å; L1736-L1781 HydrophobicContact CD1-CD2 4.47Å; V1777-L1781 HydrophobicContact CG1-CD1 3.72Å; V1777-L1781 HydrophobicContact CG1-CG 4.41Å; V1777-L1781 WeakPolarHBondContact O-CB 3.44Å; V1777-L1781 WeakPolarHBondContact O-CD1 3.25Å; V1777-L1781 WeakPolarHBondContact O-CG 3.22Å; V1777-L1781 PolarHBondContact O-N 3.46Å; E1779-L1781 VanDerWaalsContact C-N 3.31Å; E1779-L1781 PolarHBondContact O-N 3.24Å; L1781-R1783 PolarHBondContact O-N 3.1Å; L1781-R1783 VanDerWaalsContact O-N 3.1Å |
| 1782 | S | 60.2 | Low | 64.8 | Low | 85 Ų | 85 | 64.5 Ų | 64.5 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | trans | -84.7 | 77.4 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | K1778 E1779 | K1778-S1782 WeakPolarHBondContact O-CB 3.49Å; K1778-S1782 PolarHBondContact O-N 3.11Å; K1778-S1782 PolarHBondContact O-OG 3.41Å; E1779-S1782 PolarHBondContact O-N 3.23Å | ||
| 1783 | R | 62 | Low | 66.1 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | trans | -87.6 | 115 | -179.2 | -64.4 | -173.1 | 179.2 | -176 | 4.8 | 112.3 | D1662 S1716 M1717 P1719 L1781 | D1662-R1783 IonicContact OD1-CZ 3.61Å; D1662-R1783 IonicContact OD1-NH2 3.69Å; D1662-R1783 PolarHBondContact OD1-NH2 3.22Å; S1716-R1783 PolarHBondContact O-NH1 3.33Å; S1716-R1783 VanDerWaalsContact O-NH1 3.12Å; M1717-R1783 PolarHBondContact O-NH1 3.42Å; M1717-R1783 VanDerWaalsContact O-NH1 3.07Å; P1719-R1783 HydrophobicContact CB-CB 4.43Å; P1719-R1783 HydrophobicContact CG-CB 4Å; L1781-R1783 PolarHBondContact O-N 3.1Å; L1781-R1783 VanDerWaalsContact O-N 3.1Å | ||
| 1784 | D | 64.3 | Low | 67.2 | Low | 91 Ų | 91 | 65 Ų | 65 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | trans | -86.4 | 115.1 | 163.7 | -175.8 | -15 | 0 | 0 | 0 | 109.2 | T1786 K1787 V1788 | D1784-T1786 PolarHBondContact O-N 3.37Å; D1784-T1786 PolarHBondContact OD1-N 3.13Å; D1784-T1786 VanDerWaalsContact OD1-N 3.1Å; D1784-T1786 PolarHBondContact OD1-OG1 3.31Å; D1784-K1787 HydrophobicContact CB-CB 4.06Å; D1784-K1787 PolarHBondContact O-N 3.43Å; D1784-V1788 PolarHBondContact O-N 3.18Å | ||
| 1785 | L | 68.6 | Low | 68.2 | Low | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50.3 | -45.1 | -179.1 | 178.5 | 66.7 | 0 | 0 | 0 | 111.8 | V1718 P1719 K1787 V1788 Q1789 | V1718-L1785 HydrophobicContact CG1-CD1 3.34Å; P1719-L1785 HydrophobicContact CG-CD1 4.15Å; L1785-K1787 PolarHBondContact O-N 2.65Å; L1785-V1788 PolarHBondContact O-N 3.03Å; L1785-Q1789 WeakPolarHBondContact O-CG 3.47Å; L1785-Q1789 PolarHBondContact O-N 3.03Å; L1785-Q1789 VanDerWaalsContact O-N 3.15Å |
| 1786 | T | 67.8 | Low | 69.2 | Low | 53 Ų | 53 | 59.1 Ų | 59.1 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | -173.7 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | D1784 R1790 | D1784-T1786 PolarHBondContact O-N 3.37Å; D1784-T1786 PolarHBondContact OD1-N 3.13Å; D1784-T1786 VanDerWaalsContact OD1-N 3.1Å; D1784-T1786 PolarHBondContact OD1-OG1 3.31Å; T1786-R1790 WeakPolarHBondContact O-CG 3.38Å; T1786-R1790 PolarHBondContact O-N 3.42Å |
| 1787 | K | 71.8 | Confident | 70.2 | Confident | 147 Ų | 147 | 56.8 Ų | 56.8 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.4 | -42 | 178.1 | -168.2 | -179.9 | 177.6 | -173.2 | 0 | 111.2 | D1784 L1785 C1791 | D1784-K1787 HydrophobicContact CB-CB 4.06Å; D1784-K1787 PolarHBondContact O-N 3.43Å; L1785-K1787 PolarHBondContact O-N 2.65Å; K1787-C1791 PolarHBondContact O-N 2.94Å |
| 1788 | V | 72.1 | Confident | 71 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | V1718 D1784 L1785 R1790 C1791 L1792 | V1718-V1788 HydrophobicContact CG2-CG1 4.43Å; D1784-V1788 PolarHBondContact O-N 3.18Å; L1785-V1788 PolarHBondContact O-N 3.03Å; V1788-R1790 VanDerWaalsContact C-N 3.31Å; V1788-R1790 PolarHBondContact O-N 3.39Å; V1788-C1791 PolarHBondContact O-N 2.8Å; V1788-L1792 HydrophobicContact CG1-CD1 4.22Å; V1788-L1792 HydrophobicContact CG1-CG 4.46Å; V1788-L1792 PolarHBondContact O-N 3.41Å |
| 1789 | Q | 76 | Confident | 71.8 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.3 | -72.9 | 174.4 | -29 | 0 | 0 | 112.6 | V1718 L1785 N1793 T1823 L1824 E1826 | V1718-Q1789 HydrophobicContact CG1-CG 4.35Å; L1785-Q1789 WeakPolarHBondContact O-CG 3.47Å; L1785-Q1789 PolarHBondContact O-N 3.03Å; L1785-Q1789 VanDerWaalsContact O-N 3.15Å; Q1789-N1793 WeakPolarHBondContact O-CB 3.43Å; Q1789-N1793 PolarHBondContact O-N 3.41Å; Q1789-T1823 PolarHBondContact NE2-O 3.16Å; Q1789-L1824 HydrophobicContact CG-CD2 4.47Å; Q1789-L1824 PolarHBondContact NE2-O 2.98Å; Q1789-E1826 PolarHBondContact NE2-O 3.19Å |
| 1790 | R | 75 | Confident | 72.8 | Confident | 174 Ų | 174 | 45.4 Ų | 45.4 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.9 | -41.1 | 174.4 | -73.5 | 179.8 | -164.1 | 160 | 7.3 | 112.4 | T1786 V1788 N1793 A1794 | T1786-R1790 WeakPolarHBondContact O-CG 3.38Å; T1786-R1790 PolarHBondContact O-N 3.42Å; V1788-R1790 VanDerWaalsContact C-N 3.31Å; V1788-R1790 PolarHBondContact O-N 3.39Å; R1790-N1793 PolarHBondContact O-N 3.02Å; R1790-A1794 WeakPolarHBondContact O-CB 3.44Å; R1790-A1794 PolarHBondContact O-N 2.78Å |
| 1791 | C | 75.4 | Confident | 73.6 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -47 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | N1684 D1685 K1787 V1788 N1793 A1794 A1795 | N1684-C1791 PolarHBondContact O-SG 2.93Å; D1685-C1791 PolarHBondContact OD1-SG 2.99Å; K1787-C1791 PolarHBondContact O-N 2.94Å; V1788-C1791 PolarHBondContact O-N 2.8Å; C1791-N1793 VanDerWaalsContact C-N 3.31Å; C1791-N1793 PolarHBondContact O-N 3.25Å; C1791-A1794 PolarHBondContact O-N 3.31Å; C1791-A1795 WeakPolarHBondContact O-CB 3.39Å; C1791-A1795 PolarHBondContact O-N 2.83Å |
| 1792 | L | 77.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 175.6 | -70.7 | 175.9 | 0 | 0 | 0 | 112.2 | I1688 I1714 M1717 V1718 V1788 A1795 G1796 A1797 L1824 | I1688-L1792 HydrophobicContact CG2-CD2 3.83Å; I1714-L1792 HydrophobicContact CG2-CD2 4.11Å; M1717-L1792 HydrophobicContact SD-CD2 4.33Å; V1718-L1792 HydrophobicContact CG2-CD1 3.62Å; V1788-L1792 HydrophobicContact CG1-CD1 4.22Å; V1788-L1792 HydrophobicContact CG1-CG 4.46Å; V1788-L1792 PolarHBondContact O-N 3.41Å; L1792-A1795 PolarHBondContact O-N 2.73Å; L1792-G1796 PolarHBondContact O-N 3.36Å; L1792-A1797 HydrophobicContact CB-CB 4.06Å; L1792-A1797 WeakPolarHBondContact O-CB 3.37Å; L1792-A1797 PolarHBondContact O-N 3.26Å; L1792-L1824 HydrophobicContact CB-CD2 3.92Å; L1792-L1824 HydrophobicContact CD1-CD2 3.85Å |
| 1793 | N | 76 | Confident | 75.5 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.7 | -76.6 | 1.4 | 0 | 0 | 0 | 112.4 | Q1789 R1790 C1791 A1795 G1796 S1798 N1829 T1832 | Q1789-N1793 WeakPolarHBondContact O-CB 3.43Å; Q1789-N1793 PolarHBondContact O-N 3.41Å; R1790-N1793 PolarHBondContact O-N 3.02Å; C1791-N1793 VanDerWaalsContact C-N 3.31Å; C1791-N1793 PolarHBondContact O-N 3.25Å; N1793-A1795 PolarHBondContact O-N 2.95Å; N1793-G1796 PolarHBondContact O-N 3.16Å; N1793-S1798 PolarHBondContact OD1-OG 2.79Å; N1793-N1829 PolarHBondContact ND2-ND2 3.49Å; N1793-N1829 PolarHBondContact ND2-OD1 3.25Å; N1793-T1832 PolarHBondContact ND2-OG1 2.91Å |
| 1794 | A | 73.4 | Confident | 76.6 | Confident | 81 Ų | 81 | 38.8 Ų | 38.8 | 67% | 0.669 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.2 | -34.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1790 C1791 G1796 | R1790-A1794 WeakPolarHBondContact O-CB 3.44Å; R1790-A1794 PolarHBondContact O-N 2.78Å; C1791-A1794 PolarHBondContact O-N 3.31Å; A1794-G1796 VanDerWaalsContact C-N 3.26Å; A1794-G1796 PolarHBondContact O-N 2.86Å |
| 1795 | A | 74.3 | Confident | 77.6 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1688 A1689 I1692 C1791 L1792 N1793 | I1688-A1795 HydrophobicContact CB-CB 4.23Å; I1688-A1795 HydrophobicContact CG2-CB 3.74Å; A1689-A1795 HydrophobicContact CB-CB 4.17Å; I1692-A1795 HydrophobicContact CD1-CB 3.75Å; C1791-A1795 WeakPolarHBondContact O-CB 3.39Å; C1791-A1795 PolarHBondContact O-N 2.83Å; L1792-A1795 PolarHBondContact O-N 2.73Å; N1793-A1795 PolarHBondContact O-N 2.95Å |
| 1796 | G | 76.7 | Confident | 78.2 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 26.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1792 N1793 A1794 D1799 L1800 | L1792-G1796 PolarHBondContact O-N 3.36Å; N1793-G1796 PolarHBondContact O-N 3.16Å; A1794-G1796 VanDerWaalsContact C-N 3.26Å; A1794-G1796 PolarHBondContact O-N 2.86Å; G1796-D1799 WeakPolarHBondContact O-CB 3.37Å; G1796-D1799 PolarHBondContact O-N 2.99Å; G1796-L1800 PolarHBondContact O-N 3.46Å |
| 1797 | A | 81.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I1692 L1792 D1799 L1800 I1801 L1824 | I1692-A1797 HydrophobicContact CD1-CB 4.11Å; L1792-A1797 HydrophobicContact CB-CB 4.06Å; L1792-A1797 WeakPolarHBondContact O-CB 3.37Å; L1792-A1797 PolarHBondContact O-N 3.26Å; A1797-D1799 VanDerWaalsContact C-N 3.3Å; A1797-D1799 PolarHBondContact O-N 3.37Å; A1797-L1800 WeakPolarHBondContact O-CB 3.25Å; A1797-L1800 PolarHBondContact O-N 3.34Å; A1797-L1800 VanDerWaalsContact O-N 3.13Å; A1797-I1801 WeakPolarHBondContact O-CG1 3.48Å; A1797-I1801 PolarHBondContact O-N 2.95Å; A1797-L1824 HydrophobicContact CB-CD1 3.72Å |
| 1798 | S | 80.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 174.4 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | N1793 I1801 V1802 | N1793-S1798 PolarHBondContact OD1-OG 2.79Å; S1798-I1801 PolarHBondContact O-N 3.26Å; S1798-V1802 WeakPolarHBondContact O-CG2 3.42Å; S1798-V1802 PolarHBondContact O-N 3.4Å; S1798-V1802 VanDerWaalsContact O-N 3.16Å |
| 1799 | D | 81.2 | Confident | 78.3 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 175 | -82.9 | -24.1 | 0 | 0 | 0 | 111.7 | G1796 A1797 V1802 D1803 K1840 | G1796-D1799 WeakPolarHBondContact O-CB 3.37Å; G1796-D1799 PolarHBondContact O-N 2.99Å; A1797-D1799 VanDerWaalsContact C-N 3.3Å; A1797-D1799 PolarHBondContact O-N 3.37Å; D1799-V1802 PolarHBondContact O-N 2.96Å; D1799-D1803 WeakPolarHBondContact O-CB 3.28Å; D1799-D1803 PolarHBondContact O-N 2.69Å; D1799-K1840 IonicContact OD1-NZ 2.8Å; D1799-K1840 PolarHBondContact OD1-NZ 3.42Å; D1799-K1840 IonicContact OD2-NZ 3.24Å; D1799-K1840 PolarHBondContact OD2-NZ 3.36Å; D1799-K1840 VanDerWaalsContact OD2-NZ 3.09Å |
| 1800 | L | 83.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.6 | 177.6 | 67.9 | 0 | 0 | 0 | 112 | I1692 C1695 R1696 L1711 G1796 A1797 D1803 L1804 | I1692-L1800 HydrophobicContact CG1-CD2 4.47Å; I1692-L1800 HydrophobicContact CG2-CB 3.87Å; I1692-L1800 HydrophobicContact CG2-CD2 4.08Å; I1692-L1800 HydrophobicContact CG2-CG 4.37Å; C1695-L1800 HydrophobicContact CB-CD1 3.95Å; C1695-L1800 HydrophobicContact CB-CD2 3.94Å; R1696-L1800 HydrophobicContact CG-CD1 3.47Å; R1696-L1800 VanDerWaalsContact CG-CD1 3.47Å; L1711-L1800 HydrophobicContact CD2-CD2 4.17Å; G1796-L1800 PolarHBondContact O-N 3.46Å; A1797-L1800 WeakPolarHBondContact O-CB 3.25Å; A1797-L1800 PolarHBondContact O-N 3.34Å; A1797-L1800 VanDerWaalsContact O-N 3.13Å; L1800-D1803 PolarHBondContact O-N 3.1Å; L1800-L1804 HydrophobicContact CD1-CD1 3.86Å; L1800-L1804 HydrophobicContact CD1-CG 3.94Å; L1800-L1804 HydrophobicContact CD2-CD1 4.44Å; L1800-L1804 HydrophobicContact CG-CD1 3.87Å; L1800-L1804 HydrophobicContact CG-CG 4.28Å; L1800-L1804 WeakPolarHBondContact O-CB 3.49Å; L1800-L1804 VanDerWaalsContact O-CG 3.3Å; L1800-L1804 WeakPolarHBondContact O-CG 3.35Å; L1800-L1804 PolarHBondContact O-N 3.11Å |
| 1801 | I | 84.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 179.9 | -69.2 | 158.4 | 0 | 0 | 0 | 110.6 | A1797 S1798 L1804 I1805 L1820 L1824 | A1797-I1801 WeakPolarHBondContact O-CG1 3.48Å; A1797-I1801 PolarHBondContact O-N 2.95Å; S1798-I1801 PolarHBondContact O-N 3.26Å; I1801-L1804 PolarHBondContact O-N 3.24Å; I1801-I1805 HydrophobicContact CG2-CD1 3.64Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CB 3.03Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.34Å; I1801-I1805 PolarHBondContact O-N 3.33Å; I1801-L1820 HydrophobicContact CD1-CD2 4.44Å; I1801-L1820 HydrophobicContact CD1-CG 4.19Å; I1801-L1820 HydrophobicContact CG1-CD2 4.21Å; I1801-L1820 HydrophobicContact CG1-CG 4.37Å; I1801-L1824 HydrophobicContact CD1-CD1 3.45Å; I1801-L1824 VanDerWaalsContact CD1-CD1 3.45Å |
| 1802 | V | 82.2 | Confident | 78.6 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 178.1 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | S1798 D1799 L1804 I1805 V1806 L1833 L1837 | S1798-V1802 WeakPolarHBondContact O-CG2 3.42Å; S1798-V1802 PolarHBondContact O-N 3.4Å; S1798-V1802 VanDerWaalsContact O-N 3.16Å; D1799-V1802 PolarHBondContact O-N 2.96Å; V1802-L1804 PolarHBondContact O-N 3.11Å; V1802-I1805 PolarHBondContact O-N 2.98Å; V1802-V1806 HydrophobicContact CG1-CG2 4.32Å; V1802-V1806 WeakPolarHBondContact O-CB 3.44Å; V1802-V1806 VanDerWaalsContact O-CG2 3.24Å; V1802-V1806 WeakPolarHBondContact O-CG2 3.41Å; V1802-V1806 PolarHBondContact O-N 3.18Å; V1802-L1833 HydrophobicContact CG2-CD1 4.03Å; V1802-L1837 HydrophobicContact CG1-CD2 4.36Å; V1802-L1837 HydrophobicContact CG2-CD2 4.03Å |
| 1803 | D | 81.6 | Confident | 78.9 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 179.3 | -74.3 | -19.1 | 0 | 0 | 0 | 112.2 | R1696 D1799 L1800 H1807 | R1696-D1803 IonicContact CZ-OD2 3.59Å; R1696-D1803 IonicContact NE-OD2 3.58Å; R1696-D1803 PolarHBondContact NE-OD2 3Å; R1696-D1803 VanDerWaalsContact NE-OD2 3.07Å; R1696-D1803 IonicContact NH2-OD2 3.53Å; D1799-D1803 WeakPolarHBondContact O-CB 3.28Å; D1799-D1803 PolarHBondContact O-N 2.69Å; L1800-D1803 PolarHBondContact O-N 3.1Å; D1803-H1807 WeakPolarHBondContact O-CB 3.46Å; D1803-H1807 PolarHBondContact O-N 3.31Å; D1803-H1807 PolarHBondContact O-ND1 2.81Å |
| 1804 | L | 84.6 | Confident | 79.4 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 178.4 | -71 | 178.5 | 0 | 0 | 0 | 111.3 | A1699 L1711 L1800 I1801 V1802 V1806 C1808 I1813 A1817 | A1699-L1804 HydrophobicContact CB-CD2 4.1Å; L1711-L1804 HydrophobicContact CD1-CD1 4.16Å; L1711-L1804 HydrophobicContact CD2-CD1 3.96Å; L1800-L1804 HydrophobicContact CD1-CD1 3.86Å; L1800-L1804 HydrophobicContact CD1-CG 3.94Å; L1800-L1804 HydrophobicContact CD2-CD1 4.44Å; L1800-L1804 HydrophobicContact CG-CD1 3.87Å; L1800-L1804 HydrophobicContact CG-CG 4.28Å; L1800-L1804 WeakPolarHBondContact O-CB 3.49Å; L1800-L1804 VanDerWaalsContact O-CG 3.3Å; L1800-L1804 WeakPolarHBondContact O-CG 3.35Å; L1800-L1804 PolarHBondContact O-N 3.11Å; I1801-L1804 PolarHBondContact O-N 3.24Å; V1802-L1804 PolarHBondContact O-N 3.11Å; L1804-V1806 VanDerWaalsContact C-N 3.29Å; L1804-V1806 PolarHBondContact O-N 2.94Å; L1804-C1808 WeakPolarHBondContact O-CA 3.38Å; L1804-C1808 WeakPolarHBondContact O-CB 3.21Å; L1804-C1808 PolarHBondContact O-N 3.48Å; L1804-I1813 HydrophobicContact CD1-CG2 4.28Å; L1804-I1813 HydrophobicContact CD2-CG2 4.02Å; L1804-A1817 HydrophobicContact CB-CB 3.97Å; L1804-A1817 HydrophobicContact CD1-CB 4.14Å |
| 1805 | I | 84.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 178.4 | -73.8 | 171.4 | 0 | 0 | 0 | 111.1 | I1801 V1802 F1814 A1817 V1818 F1846 V1849 L1850 | I1801-I1805 HydrophobicContact CG2-CD1 3.64Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CB 3.03Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.34Å; I1801-I1805 PolarHBondContact O-N 3.33Å; V1802-I1805 PolarHBondContact O-N 2.98Å; I1805-F1814 HydrophobicContact CG1-CD2 4.35Å; I1805-F1814 HydrophobicContact CG1-CE2 4.24Å; I1805-F1814 HydrophobicContact CG2-CE2 4.13Å; I1805-A1817 HydrophobicContact CG1-CB 4.28Å; I1805-V1818 HydrophobicContact CD1-CG2 4.16Å; I1805-F1846 HydrophobicContact CB-CD2 4.22Å; I1805-F1846 HydrophobicContact CB-CE2 4.19Å; I1805-F1846 HydrophobicContact CD1-CE2 3.67Å; I1805-F1846 HydrophobicContact CD1-CZ 4.4Å; I1805-F1846 HydrophobicContact CG2-CD2 3.68Å; I1805-F1846 HydrophobicContact CG2-CE2 3.79Å; I1805-V1849 HydrophobicContact CG2-CG1 4.4Å; I1805-L1850 HydrophobicContact CG2-CD2 4.48Å |
| 1806 | V | 82.6 | Confident | 80.2 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.6 | -38.9 | -178.8 | 173.3 | 0 | 0 | 0 | 0 | 113 | V1802 L1804 H1845 F1846 | V1802-V1806 HydrophobicContact CG1-CG2 4.32Å; V1802-V1806 WeakPolarHBondContact O-CB 3.44Å; V1802-V1806 VanDerWaalsContact O-CG2 3.24Å; V1802-V1806 WeakPolarHBondContact O-CG2 3.41Å; V1802-V1806 PolarHBondContact O-N 3.18Å; L1804-V1806 VanDerWaalsContact C-N 3.29Å; L1804-V1806 PolarHBondContact O-N 2.94Å; V1806-H1845 HydrophobicContact CG1-CB 3.9Å; V1806-H1845 HydrophobicContact CG2-CB 4.2Å; V1806-F1846 HydrophobicContact CG2-CB 4.27Å |
| 1807 | H | 77.5 | Confident | 80.6 | Confident | 135 Ų | 135 | 39.1 Ų | 39.1 | 63% | 0.625 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -108.2 | -9 | -170.5 | -59.5 | 92.4 | 0 | 0 | 0 | 115.2 | D1803 | D1803-H1807 WeakPolarHBondContact O-CB 3.46Å; D1803-H1807 PolarHBondContact O-N 3.31Å; D1803-H1807 PolarHBondContact O-ND1 2.81Å |
| 1808 | C | 72.5 | Confident | 80.8 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | trans | -74.7 | 134.9 | -171.6 | -170.2 | 0 | 0 | 0 | 0 | 113 | L1804 S1810 I1813 | L1804-C1808 WeakPolarHBondContact O-CA 3.38Å; L1804-C1808 WeakPolarHBondContact O-CB 3.21Å; L1804-C1808 PolarHBondContact O-N 3.48Å; C1808-S1810 PolarHBondContact SG-N 3.06Å; C1808-S1810 PolarHBondContact SG-O 3.24Å; C1808-I1813 HydrophobicContact CB-CG2 4.47Å; C1808-I1813 VanDerWaalsContact SG-CB 3.52Å; C1808-I1813 VanDerWaalsContact SG-CG2 3.51Å | ||
| 1809 | M | 64.5 | Low | 80.9 | Confident | 188 Ų | 188 | 39.8 Ų | 39.8 | 93% | 0.926 | 21% | 0.21 | S | C | * | . | trans | -94.2 | -21.6 | 175.4 | -61.5 | -174.8 | 68.7 | 0 | 0 | 113.3 | ||||
| 1810 | S | 76 | Confident | 81 | Confident | 18 Ų | 18 | 37.7 Ų | 37.7 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | trans | -94.9 | 136.6 | -175.9 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | E1704 C1808 F1814 | E1704-S1810 WeakPolarHBondContact OE2-CB 3.39Å; E1704-S1810 PolarHBondContact OE2-OG 2.97Å; C1808-S1810 PolarHBondContact SG-N 3.06Å; C1808-S1810 PolarHBondContact SG-O 3.24Å; S1810-F1814 PolarHBondContact O-N 3.09Å | ||
| 1811 | E | 78.1 | Confident | 80.9 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 48% | 0.477 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.6 | -35.2 | -179.7 | -62.2 | -153.2 | 136.5 | 0 | 0 | 112.6 | F1814 V1815 K1853 | E1811-F1814 WeakPolarHBondContact O-CB 3.4Å; E1811-F1814 PolarHBondContact O-N 3.39Å; E1811-V1815 WeakPolarHBondContact O-CG2 3.45Å; E1811-V1815 PolarHBondContact O-N 2.76Å; E1811-K1853 IonicContact OE1-NZ 3.64Å; E1811-K1853 PolarHBondContact OE1-NZ 2.99Å |
| 1812 | D | 77.8 | Confident | 80.8 | Confident | 108 Ų | 108 | 39.3 Ų | 39.3 | 58% | 0.578 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67.4 | -41.3 | -179.4 | -66.1 | -26.8 | 0 | 0 | 0 | 111.8 | V1708 F1814 V1815 G1816 | V1708-D1812 HydrophobicContact CG2-CB 3.99Å; D1812-F1814 VanDerWaalsContact C-N 3.33Å; D1812-V1815 PolarHBondContact O-N 3.04Å; D1812-G1816 PolarHBondContact O-N 3.46Å |
| 1813 | I | 83.8 | Confident | 80.7 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 175.3 | -63.2 | 175.7 | 0 | 0 | 0 | 110.5 | A1699 E1704 C1707 V1708 L1711 L1804 C1808 G1816 A1817 | A1699-I1813 HydrophobicContact CB-CD1 4.44Å; E1704-I1813 HydrophobicContact CB-CD1 4.48Å; E1704-I1813 HydrophobicContact CG-CD1 4.28Å; C1707-I1813 HydrophobicContact CB-CD1 4.2Å; V1708-I1813 HydrophobicContact CG2-CG1 4.03Å; L1711-I1813 HydrophobicContact CD1-CG2 4.09Å; L1804-I1813 HydrophobicContact CD1-CG2 4.28Å; L1804-I1813 HydrophobicContact CD2-CG2 4.02Å; C1808-I1813 HydrophobicContact CB-CG2 4.47Å; C1808-I1813 VanDerWaalsContact SG-CB 3.52Å; C1808-I1813 VanDerWaalsContact SG-CG2 3.51Å; I1813-G1816 PolarHBondContact O-N 3.26Å; I1813-A1817 WeakPolarHBondContact O-CB 3.36Å; I1813-A1817 PolarHBondContact O-N 3.47Å |
| 1814 | F | 86.8 | Confident | 80.5 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 175.3 | 174.7 | -88.5 | 0 | 0 | 0 | 111.4 | I1805 S1810 E1811 D1812 G1816 A1817 V1818 V1849 L1850 K1853 V1946 I1950 | I1805-F1814 HydrophobicContact CG1-CD2 4.35Å; I1805-F1814 HydrophobicContact CG1-CE2 4.24Å; I1805-F1814 HydrophobicContact CG2-CE2 4.13Å; S1810-F1814 PolarHBondContact O-N 3.09Å; E1811-F1814 WeakPolarHBondContact O-CB 3.4Å; E1811-F1814 PolarHBondContact O-N 3.39Å; D1812-F1814 VanDerWaalsContact C-N 3.33Å; F1814-G1816 VanDerWaalsContact C-N 3.35Å; F1814-G1816 PolarHBondContact O-N 3.42Å; F1814-A1817 PolarHBondContact O-N 3.05Å; F1814-V1818 HydrophobicContact CD1-CG2 4.21Å; F1814-V1818 HydrophobicContact CE1-CG2 3.78Å; F1814-V1818 HydrophobicContact CE2-CG2 4.33Å; F1814-V1818 HydrophobicContact CZ-CG2 3.85Å; F1814-V1818 WeakPolarHBondContact O-CG2 2.95Å; F1814-V1818 PolarHBondContact O-N 3.09Å; F1814-V1849 HydrophobicContact CE2-CG1 4.1Å; F1814-L1850 HydrophobicContact CE2-CD2 4.38Å; F1814-L1850 HydrophobicContact CZ-CD2 4Å; F1814-K1853 HydrophobicContact CZ-CG 4.29Å; F1814-V1946 HydrophobicContact CD1-CG1 4.35Å; F1814-V1946 HydrophobicContact CE1-CG1 3.88Å; F1814-I1950 HydrophobicContact CE1-CD1 4.02Å; F1814-I1950 HydrophobicContact CE1-CG1 4.35Å; F1814-I1950 HydrophobicContact CZ-CD1 4.02Å; F1814-I1950 HydrophobicContact CZ-CG1 4.39Å |
| 1815 | V | 83.2 | Confident | 80.1 | Confident | 51 Ų | 51 | 37.5 Ų | 37.5 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | E1811 D1812 A1817 V1818 E1819 V1946 | E1811-V1815 WeakPolarHBondContact O-CG2 3.45Å; E1811-V1815 PolarHBondContact O-N 2.76Å; D1812-V1815 PolarHBondContact O-N 3.04Å; V1815-A1817 VanDerWaalsContact C-N 3.32Å; V1815-A1817 PolarHBondContact O-N 2.78Å; V1815-V1818 PolarHBondContact O-N 3.06Å; V1815-E1819 HydrophobicContact CG1-CG 4.46Å; V1815-E1819 WeakPolarHBondContact O-CB 2.89Å; V1815-E1819 WeakPolarHBondContact O-CG 3.48Å; V1815-E1819 PolarHBondContact O-N 3.15Å; V1815-V1946 HydrophobicContact CG2-CG1 4.35Å; V1815-V1946 HydrophobicContact CG2-CG2 3.77Å |
| 1816 | G | 80.1 | Confident | 79.5 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1812 I1813 F1814 L1820 | D1812-G1816 PolarHBondContact O-N 3.46Å; I1813-G1816 PolarHBondContact O-N 3.26Å; F1814-G1816 VanDerWaalsContact C-N 3.35Å; F1814-G1816 PolarHBondContact O-N 3.42Å; G1816-L1820 WeakPolarHBondContact O-CB 3.49Å; G1816-L1820 PolarHBondContact O-N 3.17Å |
| 1817 | A | 85.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1804 I1805 I1813 F1814 V1815 L1820 G1821 | L1804-A1817 HydrophobicContact CB-CB 3.97Å; L1804-A1817 HydrophobicContact CD1-CB 4.14Å; I1805-A1817 HydrophobicContact CG1-CB 4.28Å; I1813-A1817 WeakPolarHBondContact O-CB 3.36Å; I1813-A1817 PolarHBondContact O-N 3.47Å; F1814-A1817 PolarHBondContact O-N 3.05Å; V1815-A1817 VanDerWaalsContact C-N 3.32Å; V1815-A1817 PolarHBondContact O-N 2.78Å; A1817-L1820 PolarHBondContact O-N 3.4Å; A1817-G1821 PolarHBondContact O-N 3.09Å |
| 1818 | V | 86 | Confident | 77.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I1805 F1814 V1815 G1821 K1822 I1950 L1953 | I1805-V1818 HydrophobicContact CD1-CG2 4.16Å; F1814-V1818 HydrophobicContact CD1-CG2 4.21Å; F1814-V1818 HydrophobicContact CE1-CG2 3.78Å; F1814-V1818 HydrophobicContact CE2-CG2 4.33Å; F1814-V1818 HydrophobicContact CZ-CG2 3.85Å; F1814-V1818 WeakPolarHBondContact O-CG2 2.95Å; F1814-V1818 PolarHBondContact O-N 3.09Å; V1815-V1818 PolarHBondContact O-N 3.06Å; V1818-G1821 PolarHBondContact O-N 3.46Å; V1818-K1822 PolarHBondContact O-N 2.91Å; V1818-I1950 HydrophobicContact CG1-CG1 4.38Å; V1818-I1950 HydrophobicContact CG2-CG1 4.48Å; V1818-L1953 HydrophobicContact CG1-CB 4.43Å; V1818-L1953 HydrophobicContact CG1-CD2 4.37Å |
| 1819 | E | 82.5 | Confident | 77.3 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 176.9 | -75.1 | -64.1 | 135.2 | 0 | 0 | 112.7 | R1715 V1815 K1822 T1823 S1949 | R1715-E1819 IonicContact CZ-OE2 3.32Å; R1715-E1819 VanDerWaalsContact CZ-OE2 3.29Å; R1715-E1819 IonicContact NH1-OE2 3.8Å; R1715-E1819 PolarHBondContact NH1-OE2 2.96Å; R1715-E1819 IonicContact NH2-OE2 2.78Å; R1715-E1819 PolarHBondContact NH2-OE2 3.5Å; V1815-E1819 HydrophobicContact CG1-CG 4.46Å; V1815-E1819 WeakPolarHBondContact O-CB 2.89Å; V1815-E1819 WeakPolarHBondContact O-CG 3.48Å; V1815-E1819 PolarHBondContact O-N 3.15Å; E1819-K1822 WeakPolarHBondContact O-CB 3.46Å; E1819-K1822 PolarHBondContact O-N 3.27Å; E1819-K1822 IonicContact OE1-NZ 3.87Å; E1819-K1822 IonicContact OE2-NZ 3.34Å; E1819-K1822 PolarHBondContact OE2-NZ 3.31Å; E1819-T1823 PolarHBondContact O-N 3.19Å; E1819-T1823 VanDerWaalsContact O-N 3.14Å; E1819-T1823 PolarHBondContact O-OG1 2.9Å; E1819-S1949 VanDerWaalsContact OE1-CB 3.27Å; E1819-S1949 WeakPolarHBondContact OE1-CB 3.46Å; E1819-S1949 PolarHBondContact OE1-OG 3.32Å |
| 1820 | L | 83.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 172.1 | -180 | 62.4 | 0 | 0 | 0 | 111.2 | L1711 I1714 R1715 I1801 G1816 A1817 K1822 T1823 L1824 | L1711-L1820 HydrophobicContact CD2-CD2 4.17Å; I1714-L1820 HydrophobicContact CG2-CD1 3.92Å; I1714-L1820 HydrophobicContact CG2-CD2 4.24Å; R1715-L1820 HydrophobicContact CB-CD1 4.1Å; I1801-L1820 HydrophobicContact CD1-CD2 4.44Å; I1801-L1820 HydrophobicContact CD1-CG 4.19Å; I1801-L1820 HydrophobicContact CG1-CD2 4.21Å; I1801-L1820 HydrophobicContact CG1-CG 4.37Å; G1816-L1820 WeakPolarHBondContact O-CB 3.49Å; G1816-L1820 PolarHBondContact O-N 3.17Å; A1817-L1820 PolarHBondContact O-N 3.4Å; L1820-K1822 VanDerWaalsContact C-N 3.32Å; L1820-K1822 PolarHBondContact O-N 3.41Å; L1820-T1823 WeakPolarHBondContact CA-OG1 3.39Å; L1820-T1823 PolarHBondContact O-N 3.3Å; L1820-T1823 PolarHBondContact O-OG1 2.92Å; L1820-L1824 HydrophobicContact CG-CD1 4.43Å; L1820-L1824 PolarHBondContact O-N 3.49Å |
| 1821 | G | 81.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1817 V1818 T1823 L1824 L1825 | A1817-G1821 PolarHBondContact O-N 3.09Å; V1818-G1821 PolarHBondContact O-N 3.46Å; G1821-T1823 PolarHBondContact O-N 2.82Å; G1821-L1824 PolarHBondContact O-N 2.82Å; G1821-L1825 WeakPolarHBondContact O-CG 3.44Å; G1821-L1825 PolarHBondContact O-N 3.2Å |
| 1822 | K | 82.9 | Confident | 75.8 | Confident | 40 Ų | 40 | 32.2 Ų | 32.2 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.6 | -50.9 | 173.9 | -168.5 | -172.5 | 82.6 | -164.2 | 0 | 111.1 | V1818 E1819 L1820 L1824 L1825 E1826 R1952 L1956 | V1818-K1822 PolarHBondContact O-N 2.91Å; E1819-K1822 WeakPolarHBondContact O-CB 3.46Å; E1819-K1822 PolarHBondContact O-N 3.27Å; E1819-K1822 IonicContact OE1-NZ 3.87Å; E1819-K1822 IonicContact OE2-NZ 3.34Å; E1819-K1822 PolarHBondContact OE2-NZ 3.31Å; L1820-K1822 VanDerWaalsContact C-N 3.32Å; L1820-K1822 PolarHBondContact O-N 3.41Å; K1822-L1824 VanDerWaalsContact C-N 3.31Å; K1822-L1824 PolarHBondContact O-N 3.38Å; K1822-L1825 PolarHBondContact O-N 3.37Å; K1822-E1826 WeakPolarHBondContact CE-OE1 3.16Å; K1822-E1826 WeakPolarHBondContact O-CG 3.39Å; K1822-E1826 PolarHBondContact O-N 3.2Å; K1822-E1826 VanDerWaalsContact O-N 3.14Å; K1822-R1952 HydrophobicContact CD-CB 4.47Å; K1822-R1952 HydrophobicContact CD-CG 3.85Å; K1822-R1952 HydrophobicContact CG-CG 3.96Å; K1822-L1956 HydrophobicContact CB-CD1 4.49Å; K1822-L1956 HydrophobicContact CG-CD1 3.73Å |
| 1823 | T | 78.7 | Confident | 75.4 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -25.5 | -178.3 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | R1715 Q1789 E1819 L1820 G1821 | R1715-T1823 HydrophobicContact CG-CG2 3.79Å; Q1789-T1823 PolarHBondContact NE2-O 3.16Å; E1819-T1823 PolarHBondContact O-N 3.19Å; E1819-T1823 VanDerWaalsContact O-N 3.14Å; E1819-T1823 PolarHBondContact O-OG1 2.9Å; L1820-T1823 WeakPolarHBondContact CA-OG1 3.39Å; L1820-T1823 PolarHBondContact O-N 3.3Å; L1820-T1823 PolarHBondContact O-OG1 2.92Å; G1821-T1823 PolarHBondContact O-N 2.82Å |
| 1824 | L | 78 | Confident | 74.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -78.3 | -26.7 | 176.4 | -76 | 176.4 | 0 | 0 | 0 | 113.3 | Q1789 L1792 A1797 I1801 L1820 G1821 K1822 N1829 | Q1789-L1824 HydrophobicContact CG-CD2 4.47Å; Q1789-L1824 PolarHBondContact NE2-O 2.98Å; L1792-L1824 HydrophobicContact CB-CD2 3.92Å; L1792-L1824 HydrophobicContact CD1-CD2 3.85Å; A1797-L1824 HydrophobicContact CB-CD1 3.72Å; I1801-L1824 HydrophobicContact CD1-CD1 3.45Å; I1801-L1824 VanDerWaalsContact CD1-CD1 3.45Å; L1820-L1824 HydrophobicContact CG-CD1 4.43Å; L1820-L1824 PolarHBondContact O-N 3.49Å; G1821-L1824 PolarHBondContact O-N 2.82Å; K1822-L1824 VanDerWaalsContact C-N 3.31Å; K1822-L1824 PolarHBondContact O-N 3.38Å; L1824-N1829 WeakPolarHBondContact O-CB 3.43Å |
| 1825 | L | 75.6 | Confident | 73.7 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -90.9 | -22.9 | -179.8 | -64.8 | 176.3 | 0 | 0 | 0 | 113.1 | G1821 K1822 G1827 G1828 N1829 L1833 L1953 L1956 M1957 | G1821-L1825 WeakPolarHBondContact O-CG 3.44Å; G1821-L1825 PolarHBondContact O-N 3.2Å; K1822-L1825 PolarHBondContact O-N 3.37Å; L1825-G1827 PolarHBondContact O-N 3.29Å; L1825-G1828 PolarHBondContact O-N 3.39Å; L1825-G1828 VanDerWaalsContact O-N 3.13Å; L1825-N1829 WeakPolarHBondContact CD2-O 3.36Å; L1825-L1833 HydrophobicContact CD1-CD2 4.12Å; L1825-L1833 HydrophobicContact CD2-CD2 4.38Å; L1825-L1953 HydrophobicContact CD1-CD1 3.79Å; L1825-L1956 HydrophobicContact CB-CB 3.84Å; L1825-L1956 HydrophobicContact CB-CD1 4.18Å; L1825-L1956 HydrophobicContact CD1-CB 4.01Å; L1825-M1957 HydrophobicContact CD1-CG 3.54Å |
| 1826 | E | 71.9 | Confident | 73 | Confident | 64 Ų | 64 | 32.2 Ų | 32.2 | 30% | 0.299 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 109.8 | 174.5 | -81.9 | 171.6 | -176 | 0 | 0 | 110.9 | Q1789 K1822 L1956 | Q1789-E1826 PolarHBondContact NE2-O 3.19Å; K1822-E1826 WeakPolarHBondContact CE-OE1 3.16Å; K1822-E1826 WeakPolarHBondContact O-CG 3.39Å; K1822-E1826 PolarHBondContact O-N 3.2Å; K1822-E1826 VanDerWaalsContact O-N 3.14Å; E1826-L1956 HydrophobicContact CG-CD1 4.24Å |
| 1827 | G | 63.5 | Low | 72.6 | Confident | 64 Ų | 64 | 31.6 Ų | 31.6 | 66% | 0.66 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 107.8 | 6.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1825 | L1825-G1827 PolarHBondContact O-N 3.29Š|
| 1828 | G | 61.1 | Low | 71.8 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100 | 28.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1825 E1830 | L1825-G1828 PolarHBondContact O-N 3.39Å; L1825-G1828 VanDerWaalsContact O-N 3.13Å; G1828-E1830 VanDerWaalsContact C-N 3.34Å; G1828-E1830 PolarHBondContact O-N 3.44Å |
| 1829 | N | 62.9 | Low | 70.8 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | trans | -92.7 | 49.9 | -179.1 | -165.7 | -1.8 | 0 | 0 | 0 | 113.2 | N1793 L1824 L1825 T1832 | N1793-N1829 PolarHBondContact ND2-ND2 3.49Å; N1793-N1829 PolarHBondContact ND2-OD1 3.25Å; L1824-N1829 WeakPolarHBondContact O-CB 3.43Å; L1825-N1829 WeakPolarHBondContact CD2-O 3.36Å; N1829-T1832 PolarHBondContact O-OG1 3.36Å; N1829-T1832 PolarHBondContact OD1-OG1 2.81Å | ||
| 1830 | E | 59.6 | Low | 69.8 | Low | 21 Ų | 21 | 45.1 Ų | 45.1 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.1 | -38.1 | -166.7 | -63.9 | 165.4 | -152.1 | 0 | 0 | 114.4 | G1828 T1832 E1959 N1960 | G1828-E1830 VanDerWaalsContact C-N 3.34Å; G1828-E1830 PolarHBondContact O-N 3.44Å; E1830-T1832 VanDerWaalsContact C-N 3.26Å; E1830-T1832 PolarHBondContact O-N 3.19Å; E1830-E1959 VanDerWaalsContact OE2-O 3.04Å; E1830-N1960 PolarHBondContact OE1-ND2 2.75Å |
| 1831 | E | 60.2 | Low | 69 | Low | 130 Ų | 130 | 50.9 Ų | 50.9 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.9 | -29.1 | -170.5 | -72.4 | -166.5 | -175.8 | 0 | 0 | 114.2 | K1835 | E1831-K1835 WeakPolarHBondContact O-CG 3.48Å; E1831-K1835 PolarHBondContact O-N 3.44Å; E1831-K1835 IonicContact OE2-NZ 3.31Å; E1831-K1835 PolarHBondContact OE2-NZ 3.29Å |
| 1832 | T | 65.6 | Low | 68.5 | Low | 49 Ų | 49 | 51.6 Ų | 51.6 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74 | -39.8 | -172.1 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | N1793 N1829 E1830 K1835 C1836 | N1793-T1832 PolarHBondContact ND2-OG1 2.91Å; N1829-T1832 PolarHBondContact O-OG1 3.36Å; N1829-T1832 PolarHBondContact OD1-OG1 2.81Å; E1830-T1832 VanDerWaalsContact C-N 3.26Å; E1830-T1832 PolarHBondContact O-N 3.19Å; T1832-K1835 PolarHBondContact O-N 3.49Å; T1832-C1836 PolarHBondContact O-N 2.97Å; T1832-C1836 VanDerWaalsContact O-N 3.1Å |
| 1833 | L | 69.3 | Low | 68 | Low | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 179.5 | -171.2 | 62.8 | 0 | 0 | 0 | 111.5 | V1802 L1825 C1836 L1837 M1957 | V1802-L1833 HydrophobicContact CG2-CD1 4.03Å; L1825-L1833 HydrophobicContact CD1-CD2 4.12Å; L1825-L1833 HydrophobicContact CD2-CD2 4.38Å; L1833-C1836 WeakPolarHBondContact O-CB 3.44Å; L1833-C1836 PolarHBondContact O-N 3.26Å; L1833-L1837 HydrophobicContact CG-CD1 4.49Å; L1833-L1837 WeakPolarHBondContact O-CG 3.45Å; L1833-L1837 PolarHBondContact O-N 3.28Å; L1833-M1957 HydrophobicContact CD2-CE 3.61Å; L1833-M1957 HydrophobicContact CD2-CG 4.08Å; L1833-M1957 HydrophobicContact CD2-SD 3.8Å; L1833-M1957 HydrophobicContact CG-CE 4.06Å |
| 1834 | L | 66 | Low | 67.9 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.3 | -179.3 | 65 | 0 | 0 | 0 | 111.5 | C1836 L1837 Q1838 D1964 M1965 | L1834-C1836 VanDerWaalsContact C-N 3.29Å; L1834-C1836 PolarHBondContact O-N 2.95Å; L1834-L1837 PolarHBondContact O-N 2.98Å; L1834-Q1838 HydrophobicContact CD1-CG 4.3Å; L1834-Q1838 WeakPolarHBondContact O-CG 3.31Å; L1834-Q1838 PolarHBondContact O-N 3.44Å; L1834-D1964 HydrophobicContact CD2-CB 4Å; L1834-M1965 HydrophobicContact CD1-SD 3.69Å |
| 1835 | K | 70 | Confident | 68.1 | Low | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 175.2 | -73.3 | 168.8 | -177.6 | 157.4 | 0 | 111.6 | E1831 T1832 A1839 | E1831-K1835 WeakPolarHBondContact O-CG 3.48Å; E1831-K1835 PolarHBondContact O-N 3.44Å; E1831-K1835 IonicContact OE2-NZ 3.31Å; E1831-K1835 PolarHBondContact OE2-NZ 3.29Å; T1832-K1835 PolarHBondContact O-N 3.49Å; K1835-A1839 WeakPolarHBondContact O-CB 3.42Å; K1835-A1839 PolarHBondContact O-N 2.96Å |
| 1836 | C | 68.9 | Low | 68.6 | Low | 26 Ų | 26 | 53.8 Ų | 53.8 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.8 | -76.5 | 0 | 0 | 0 | 0 | 113.2 | T1832 L1833 L1834 | T1832-C1836 PolarHBondContact O-N 2.97Å; T1832-C1836 VanDerWaalsContact O-N 3.1Å; L1833-C1836 WeakPolarHBondContact O-CB 3.44Å; L1833-C1836 PolarHBondContact O-N 3.26Å; L1834-C1836 VanDerWaalsContact C-N 3.29Å; L1834-C1836 PolarHBondContact O-N 2.95Å |
| 1837 | L | 70.9 | Confident | 69.3 | Low | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 180 | -69.5 | 168.5 | 0 | 0 | 0 | 112.4 | V1802 L1833 L1834 G1843 F1846 M1957 F1968 | V1802-L1837 HydrophobicContact CG1-CD2 4.36Å; V1802-L1837 HydrophobicContact CG2-CD2 4.03Å; L1833-L1837 HydrophobicContact CG-CD1 4.49Å; L1833-L1837 WeakPolarHBondContact O-CG 3.45Å; L1833-L1837 PolarHBondContact O-N 3.28Å; L1834-L1837 PolarHBondContact O-N 2.98Å; L1837-G1843 PolarHBondContact O-N 3.02Å; L1837-F1846 HydrophobicContact CD2-CB 3.87Å; L1837-F1846 HydrophobicContact CD2-CD1 4.04Å; L1837-F1846 HydrophobicContact CD2-CD2 4.17Å; L1837-F1846 HydrophobicContact CD2-CG 3.77Å; L1837-M1957 HydrophobicContact CD1-CE 3.71Å; L1837-F1968 HydrophobicContact CB-CZ 4.45Å; L1837-F1968 HydrophobicContact CD1-CE1 4.28Å |
| 1838 | Q | 69.2 | Low | 70.5 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -78.1 | -36.7 | 178.7 | -70 | 179.2 | -9.7 | 0 | 0 | 113.1 | L1834 K1840 | L1834-Q1838 HydrophobicContact CD1-CG 4.3Å; L1834-Q1838 WeakPolarHBondContact O-CG 3.31Å; L1834-Q1838 PolarHBondContact O-N 3.44Å; Q1838-K1840 PolarHBondContact O-N 3.24Å |
| 1839 | A | 65.4 | Low | 71.6 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.2 | -22.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1835 | K1835-A1839 WeakPolarHBondContact O-CB 3.42Å; K1835-A1839 PolarHBondContact O-N 2.96Å |
| 1840 | K | 61.7 | Low | 72.9 | Confident | 111 Ų | 111 | 49 Ų | 49 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 7.8 | -169.4 | -78 | -179.5 | 179.7 | 161.8 | 0 | 115.4 | D1799 Q1838 S1842 | D1799-K1840 IonicContact OD1-NZ 2.8Å; D1799-K1840 PolarHBondContact OD1-NZ 3.42Å; D1799-K1840 IonicContact OD2-NZ 3.24Å; D1799-K1840 PolarHBondContact OD2-NZ 3.36Å; D1799-K1840 VanDerWaalsContact OD2-NZ 3.09Å; Q1838-K1840 PolarHBondContact O-N 3.24Å; K1840-S1842 PolarHBondContact O-N 3Å |
| 1841 | D | 66 | Low | 74.3 | Confident | 123 Ų | 123 | 49.7 Ų | 49.7 | 66% | 0.658 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 52.3 | 14.1 | -169.1 | -75.5 | -29.5 | 0 | 0 | 0 | 114 | G1843 | D1841-G1843 VanDerWaalsContact C-N 3.31Š|
| 1842 | S | 71.7 | Confident | 75.6 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | trans | -81.5 | -14.1 | -178.5 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | K1840 E1844 H1845 F1846 | K1840-S1842 PolarHBondContact O-N 3Å; S1842-E1844 PolarHBondContact O-N 2.94Å; S1842-H1845 PolarHBondContact O-N 2.76Å; S1842-H1845 VanDerWaalsContact O-N 3.14Å; S1842-F1846 PolarHBondContact O-N 3.37Å | ||
| 1843 | G | 72 | Confident | 76.7 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.5 | -40.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1837 D1841 F1846 C1847 | L1837-G1843 PolarHBondContact O-N 3.02Å; D1841-G1843 VanDerWaalsContact C-N 3.31Å; G1843-F1846 PolarHBondContact O-N 3.23Å; G1843-C1847 PolarHBondContact O-N 3.11Å; G1843-C1847 VanDerWaalsContact O-N 3.09Å; G1843-C1847 PolarHBondContact O-SG 2.74Å |
| 1844 | E | 77.4 | Confident | 77.7 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.3 | -176.9 | -174.1 | 156 | 0 | 0 | 111.3 | S1842 C1847 R1848 N1974 T1976 Y1978 | S1842-E1844 PolarHBondContact O-N 2.94Å; E1844-C1847 PolarHBondContact O-N 3.01Å; E1844-R1848 WeakPolarHBondContact O-CB 3.45Å; E1844-R1848 PolarHBondContact O-N 3.32Å; E1844-N1974 WeakPolarHBondContact OE2-CB 3.27Å; E1844-N1974 PolarHBondContact OE2-ND2 2.63Å; E1844-T1976 PolarHBondContact OE1-OG1 3.3Å; E1844-Y1978 HydrophobicContact CG-CD2 4.22Å; E1844-Y1978 HydrophobicContact CG-CE2 4.04Å |
| 1845 | H | 81.6 | Confident | 78.6 | Confident | 73 Ų | 73 | 50 Ų | 50 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 179.4 | -67.2 | -39.3 | 0 | 0 | 0 | 112.3 | V1806 S1842 R1848 V1849 | V1806-H1845 HydrophobicContact CG1-CB 3.9Å; V1806-H1845 HydrophobicContact CG2-CB 4.2Å; S1842-H1845 PolarHBondContact O-N 2.76Å; S1842-H1845 VanDerWaalsContact O-N 3.14Å; H1845-R1848 PolarHBondContact ND1-NH2 3.15Å; H1845-R1848 PolarHBondContact O-N 2.78Å; H1845-V1849 WeakPolarHBondContact O-CG2 3.45Å; H1845-V1849 PolarHBondContact O-N 3.23Å; H1845-V1849 VanDerWaalsContact O-N 3.13Å |
| 1846 | F | 86.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -51.2 | 173.5 | 179.3 | -91.4 | 0 | 0 | 0 | 111.2 | I1805 V1806 L1837 S1842 G1843 R1848 V1849 L1850 | I1805-F1846 HydrophobicContact CB-CD2 4.22Å; I1805-F1846 HydrophobicContact CB-CE2 4.19Å; I1805-F1846 HydrophobicContact CD1-CE2 3.67Å; I1805-F1846 HydrophobicContact CD1-CZ 4.4Å; I1805-F1846 HydrophobicContact CG2-CD2 3.68Å; I1805-F1846 HydrophobicContact CG2-CE2 3.79Å; V1806-F1846 HydrophobicContact CG2-CB 4.27Å; L1837-F1846 HydrophobicContact CD2-CB 3.87Å; L1837-F1846 HydrophobicContact CD2-CD1 4.04Å; L1837-F1846 HydrophobicContact CD2-CD2 4.17Å; L1837-F1846 HydrophobicContact CD2-CG 3.77Å; S1842-F1846 PolarHBondContact O-N 3.37Å; G1843-F1846 PolarHBondContact O-N 3.23Å; F1846-R1848 VanDerWaalsContact C-N 3.34Å; F1846-R1848 PolarHBondContact O-N 3.34Å; F1846-V1849 PolarHBondContact O-N 2.75Å; F1846-L1850 HydrophobicContact CD1-CD1 4.1Å; F1846-L1850 HydrophobicContact CE1-CD1 3.47Å; F1846-L1850 VanDerWaalsContact CE1-CD1 3.47Å; F1846-L1850 HydrophobicContact CE1-CG 4.43Å; F1846-L1850 HydrophobicContact CZ-CD1 3.77Å; F1846-L1850 PolarHBondContact O-N 3.23Å |
| 1847 | C | 86 | Confident | 80.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | G1843 E1844 V1849 L1850 H1851 L1980 | G1843-C1847 PolarHBondContact O-N 3.11Å; G1843-C1847 VanDerWaalsContact O-N 3.09Å; G1843-C1847 PolarHBondContact O-SG 2.74Å; E1844-C1847 PolarHBondContact O-N 3.01Å; C1847-V1849 PolarHBondContact O-N 3.27Å; C1847-L1850 PolarHBondContact O-N 3.21Å; C1847-H1851 VanDerWaalsContact O-CB 3.28Å; C1847-H1851 WeakPolarHBondContact O-CB 3.4Å; C1847-H1851 PolarHBondContact O-N 3.46Å; C1847-L1980 HydrophobicContact CB-CD1 4.19Å |
| 1848 | R | 87.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 174.9 | -179.2 | -177.5 | 64.3 | -172.7 | -1.6 | 112.1 | E1844 H1845 F1846 L1850 H1851 E1852 Y1978 | E1844-R1848 WeakPolarHBondContact O-CB 3.45Å; E1844-R1848 PolarHBondContact O-N 3.32Å; H1845-R1848 PolarHBondContact ND1-NH2 3.15Å; H1845-R1848 PolarHBondContact O-N 2.78Å; F1846-R1848 VanDerWaalsContact C-N 3.34Å; F1846-R1848 PolarHBondContact O-N 3.34Å; R1848-L1850 PolarHBondContact O-N 3.04Å; R1848-H1851 PolarHBondContact O-N 3.24Å; R1848-E1852 HydrophobicContact CG-CG 4.45Å; R1848-E1852 WeakPolarHBondContact CG-OE1 3.24Å; R1848-E1852 WeakPolarHBondContact O-CB 3.17Å; R1848-E1852 WeakPolarHBondContact O-CG 3.45Å; R1848-E1852 PolarHBondContact O-N 3.14Å; R1848-Y1978 HydrophobicContact CB-CD1 4.35Å; R1848-Y1978 HydrophobicContact CB-CD2 4.03Å; R1848-Y1978 HydrophobicContact CB-CE1 4.08Å; R1848-Y1978 HydrophobicContact CB-CE2 3.76Å; R1848-Y1978 HydrophobicContact CB-CG 4.32Å; R1848-Y1978 WeakPolarHBondContact CD-OH 3.42Å; R1848-Y1978 HydrophobicContact CG-CD1 4.46Å; R1848-Y1978 HydrophobicContact CG-CE1 3.8Å; R1848-Y1978 HydrophobicContact CG-CE2 4.11Å |
| 1849 | V | 85.7 | Confident | 81.5 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | -177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I1805 F1814 H1845 F1846 C1847 E1852 K1853 | I1805-V1849 HydrophobicContact CG2-CG1 4.4Å; F1814-V1849 HydrophobicContact CE2-CG1 4.1Å; H1845-V1849 WeakPolarHBondContact O-CG2 3.45Å; H1845-V1849 PolarHBondContact O-N 3.23Å; H1845-V1849 VanDerWaalsContact O-N 3.13Å; F1846-V1849 PolarHBondContact O-N 2.75Å; C1847-V1849 PolarHBondContact O-N 3.27Å; V1849-E1852 PolarHBondContact O-N 3.17Å; V1849-K1853 WeakPolarHBondContact O-CG 3.31Å; V1849-K1853 PolarHBondContact O-N 3.42Å |
| 1850 | L | 89.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.3 | -63.2 | -175.4 | 0 | 0 | 0 | 111.9 | I1805 F1814 F1846 C1847 R1848 K1853 M1854 I1950 L1954 L1980 | I1805-L1850 HydrophobicContact CG2-CD2 4.48Å; F1814-L1850 HydrophobicContact CE2-CD2 4.38Å; F1814-L1850 HydrophobicContact CZ-CD2 4Å; F1846-L1850 HydrophobicContact CD1-CD1 4.1Å; F1846-L1850 HydrophobicContact CE1-CD1 3.47Å; F1846-L1850 VanDerWaalsContact CE1-CD1 3.47Å; F1846-L1850 HydrophobicContact CE1-CG 4.43Å; F1846-L1850 HydrophobicContact CZ-CD1 3.77Å; F1846-L1850 PolarHBondContact O-N 3.23Å; C1847-L1850 PolarHBondContact O-N 3.21Å; R1848-L1850 PolarHBondContact O-N 3.04Å; L1850-K1853 PolarHBondContact O-N 2.74Å; L1850-M1854 WeakPolarHBondContact O-CB 3.34Å; L1850-M1854 PolarHBondContact O-N 3.25Å; L1850-I1950 HydrophobicContact CD1-CG2 4.48Å; L1850-I1950 HydrophobicContact CD2-CD1 4.35Å; L1850-I1950 HydrophobicContact CD2-CG1 4.38Å; L1850-I1950 HydrophobicContact CD2-CG2 4.01Å; L1850-L1954 HydrophobicContact CD1-CD2 3.89Å; L1850-L1954 HydrophobicContact CD1-CG 4.46Å; L1850-L1980 HydrophobicContact CB-CD2 4.21Å |
| 1851 | H | 88.4 | Confident | 83.1 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.3 | -169.8 | 85.5 | 0 | 0 | 0 | 111.8 | C1847 R1848 M1854 Q1855 Y1978 L1980 | C1847-H1851 VanDerWaalsContact O-CB 3.28Å; C1847-H1851 WeakPolarHBondContact O-CB 3.4Å; C1847-H1851 PolarHBondContact O-N 3.46Å; R1848-H1851 PolarHBondContact O-N 3.24Å; H1851-M1854 PolarHBondContact O-N 3.26Å; H1851-Q1855 PolarHBondContact CD2-NE2 2.94Å; H1851-Q1855 VanDerWaalsContact CD2-NE2 3.27Å; H1851-Q1855 PolarHBondContact NE2-NE2 3.3Å; H1851-Q1855 WeakPolarHBondContact O-CG 3Å; H1851-Q1855 PolarHBondContact O-N 3.03Å; H1851-Y1978 HydrophobicContact CB-CD1 4.31Å; H1851-L1980 HydrophobicContact CB-CD2 3.89Å |
| 1852 | E | 88.1 | Confident | 83.6 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.7 | -75.8 | -179.3 | -164.2 | 0 | 0 | 112.4 | R1848 V1849 Q1855 R1856 | R1848-E1852 HydrophobicContact CG-CG 4.45Å; R1848-E1852 WeakPolarHBondContact CG-OE1 3.24Å; R1848-E1852 WeakPolarHBondContact O-CB 3.17Å; R1848-E1852 WeakPolarHBondContact O-CG 3.45Å; R1848-E1852 PolarHBondContact O-N 3.14Å; V1849-E1852 PolarHBondContact O-N 3.17Å; E1852-Q1855 PolarHBondContact O-N 3.09Å; E1852-R1856 WeakPolarHBondContact O-CG 3.26Å; E1852-R1856 PolarHBondContact O-N 3.22Å; E1852-R1856 IonicContact OE2-NH2 2.9Å |
| 1853 | K | 88.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 18% | 0.183 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.7 | -77.2 | -75.9 | -177.3 | 165.6 | 0 | 111.5 | E1811 F1814 V1849 L1850 R1856 A1857 I1950 | E1811-K1853 IonicContact OE1-NZ 3.64Å; E1811-K1853 PolarHBondContact OE1-NZ 2.99Å; F1814-K1853 HydrophobicContact CZ-CG 4.29Å; V1849-K1853 WeakPolarHBondContact O-CG 3.31Å; V1849-K1853 PolarHBondContact O-N 3.42Å; L1850-K1853 PolarHBondContact O-N 2.74Å; K1853-R1856 PolarHBondContact O-N 2.88Å; K1853-A1857 PolarHBondContact O-N 2.98Å; K1853-I1950 HydrophobicContact CB-CD1 4.34Å |
| 1854 | M | 90 | Very high | 83.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 174.5 | -169.8 | -173.7 | -71.9 | 0 | 0 | 111.7 | L1850 H1851 R1856 A1857 Q1858 M1947 T1984 F1987 | L1850-M1854 WeakPolarHBondContact O-CB 3.34Å; L1850-M1854 PolarHBondContact O-N 3.25Å; H1851-M1854 PolarHBondContact O-N 3.26Å; M1854-R1856 VanDerWaalsContact C-N 3.34Å; M1854-R1856 PolarHBondContact O-N 3.28Å; M1854-A1857 WeakPolarHBondContact O-CB 3.44Å; M1854-A1857 PolarHBondContact O-N 3.12Å; M1854-Q1858 WeakPolarHBondContact O-CG 3.42Å; M1854-Q1858 PolarHBondContact O-N 3.27Å; M1854-M1947 HydrophobicContact CB-CE 4.46Å; M1854-M1947 HydrophobicContact CB-SD 3.98Å; M1854-M1947 HydrophobicContact CE-CE 3.46Å; M1854-M1947 VanDerWaalsContact CE-CE 3.46Å; M1854-M1947 HydrophobicContact CE-SD 4.39Å; M1854-M1947 HydrophobicContact CG-CE 4.33Å; M1854-M1947 HydrophobicContact CG-SD 4.04Å; M1854-T1984 WeakPolarHBondContact CE-OG1 3.33Å; M1854-F1987 HydrophobicContact CG-CB 4.09Å; M1854-F1987 HydrophobicContact CG-CD2 4.29Å; M1854-F1987 HydrophobicContact CG-CG 4.35Å; M1854-F1987 HydrophobicContact SD-CB 4.17Å |
| 1855 | Q | 85.6 | Confident | 82.7 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 174.8 | -75.1 | -173.2 | 2 | 0 | 0 | 112.5 | H1851 E1852 Q1858 N1859 | H1851-Q1855 PolarHBondContact CD2-NE2 2.94Å; H1851-Q1855 VanDerWaalsContact CD2-NE2 3.27Å; H1851-Q1855 PolarHBondContact NE2-NE2 3.3Å; H1851-Q1855 WeakPolarHBondContact O-CG 3Å; H1851-Q1855 PolarHBondContact O-N 3.03Å; E1852-Q1855 PolarHBondContact O-N 3.09Å; Q1855-Q1858 PolarHBondContact O-N 3.42Å; Q1855-N1859 WeakPolarHBondContact O-CB 3.38Å; Q1855-N1859 PolarHBondContact O-N 3.31Å; Q1855-N1859 PolarHBondContact O-ND2 3.15Å |
| 1856 | R | 85.8 | Confident | 81.6 | Confident | 134 Ų | 134 | 46.3 Ų | 46.3 | 51% | 0.506 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -44.8 | 174.3 | -72.2 | -179.5 | -162.6 | 170.6 | 9.6 | 111.5 | E1852 K1853 M1854 Q1858 N1859 K1860 | E1852-R1856 WeakPolarHBondContact O-CG 3.26Å; E1852-R1856 PolarHBondContact O-N 3.22Å; E1852-R1856 IonicContact OE2-NH2 2.9Å; K1853-R1856 PolarHBondContact O-N 2.88Å; M1854-R1856 VanDerWaalsContact C-N 3.34Å; M1854-R1856 PolarHBondContact O-N 3.28Å; R1856-Q1858 PolarHBondContact O-N 3.01Å; R1856-N1859 PolarHBondContact O-N 3.17Å; R1856-K1860 WeakPolarHBondContact O-CB 3.25Å; R1856-K1860 PolarHBondContact O-N 3.21Å |
| 1857 | A | 85.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1853 M1854 K1860 L1861 E1943 V1944 F1987 | K1853-A1857 PolarHBondContact O-N 2.98Å; M1854-A1857 WeakPolarHBondContact O-CB 3.44Å; M1854-A1857 PolarHBondContact O-N 3.12Å; A1857-K1860 PolarHBondContact O-N 3.37Å; A1857-L1861 WeakPolarHBondContact O-CG 3.49Å; A1857-L1861 PolarHBondContact O-N 2.98Å; A1857-E1943 WeakPolarHBondContact CB-O 3.38Å; A1857-V1944 HydrophobicContact CB-CG2 4.4Å; A1857-F1987 HydrophobicContact CB-CE2 3.99Å |
| 1858 | Q | 84.8 | Confident | 78.6 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 174.6 | -70.7 | -178.7 | 3.3 | 0 | 0 | 111.9 | M1854 Q1855 R1856 K1860 L1861 R1862 G1983 T1986 F1987 T1990 | M1854-Q1858 WeakPolarHBondContact O-CG 3.42Å; M1854-Q1858 PolarHBondContact O-N 3.27Å; Q1855-Q1858 PolarHBondContact O-N 3.42Å; R1856-Q1858 PolarHBondContact O-N 3.01Å; Q1858-K1860 VanDerWaalsContact C-N 3.28Å; Q1858-K1860 PolarHBondContact O-N 2.64Å; Q1858-L1861 PolarHBondContact O-N 2.96Å; Q1858-R1862 VanDerWaalsContact O-CG 3.3Å; Q1858-R1862 WeakPolarHBondContact O-CG 3.22Å; Q1858-R1862 PolarHBondContact O-N 3.2Å; Q1858-G1983 PolarHBondContact NE2-O 3Å; Q1858-T1986 PolarHBondContact NE2-OG1 3.14Å; Q1858-F1987 HydrophobicContact CG-CB 4.17Å; Q1858-F1987 HydrophobicContact CG-CD2 3.72Å; Q1858-F1987 HydrophobicContact CG-CG 4.44Å; Q1858-F1987 VanDerWaalsContact NE2-CA 3.34Å; Q1858-T1990 HydrophobicContact CB-CG2 4.29Å |
| 1859 | N | 83.7 | Confident | 76.6 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | -179.3 | -69.7 | -21.1 | 0 | 0 | 0 | 111.6 | Q1855 R1856 R1862 S1863 | Q1855-N1859 WeakPolarHBondContact O-CB 3.38Å; Q1855-N1859 PolarHBondContact O-N 3.31Å; Q1855-N1859 PolarHBondContact O-ND2 3.15Å; R1856-N1859 PolarHBondContact O-N 3.17Å; N1859-R1862 PolarHBondContact O-N 3.34Å; N1859-R1862 PolarHBondContact OD1-NH1 3.01Å; N1859-S1863 PolarHBondContact O-N 3.24Å; N1859-S1863 PolarHBondContact O-OG 3.28Å |
| 1860 | K | 82.3 | Confident | 74.5 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 173.8 | -169.9 | 63.5 | 169.6 | -177.3 | 0 | 111.6 | R1856 A1857 Q1858 R1862 S1863 N1864 P1941 | R1856-K1860 WeakPolarHBondContact O-CB 3.25Å; R1856-K1860 PolarHBondContact O-N 3.21Å; A1857-K1860 PolarHBondContact O-N 3.37Å; Q1858-K1860 VanDerWaalsContact C-N 3.28Å; Q1858-K1860 PolarHBondContact O-N 2.64Å; K1860-R1862 PolarHBondContact O-N 3.44Å; K1860-S1863 PolarHBondContact O-N 2.81Å; K1860-S1863 PolarHBondContact O-OG 3.4Å; K1860-N1864 PolarHBondContact O-N 2.97Å; K1860-P1941 HydrophobicContact CG-CB 4.09Å; K1860-P1941 HydrophobicContact CG-CG 4.06Å |
| 1861 | L | 78.3 | Confident | 72 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 174 | -75.3 | 172.5 | 0 | 0 | 0 | 112 | A1857 Q1858 S1863 N1864 M1865 L1940 V1944 F1987 T1990 I1991 | A1857-L1861 WeakPolarHBondContact O-CG 3.49Å; A1857-L1861 PolarHBondContact O-N 2.98Å; Q1858-L1861 PolarHBondContact O-N 2.96Å; L1861-S1863 VanDerWaalsContact C-N 3.34Å; L1861-S1863 PolarHBondContact O-N 2.93Å; L1861-N1864 PolarHBondContact O-N 3.36Å; L1861-M1865 WeakPolarHBondContact O-CB 3.34Å; L1861-M1865 WeakPolarHBondContact O-CG 3.43Å; L1861-M1865 PolarHBondContact O-N 3.31Å; L1861-L1940 HydrophobicContact CD2-CD2 4.41Å; L1861-V1944 HydrophobicContact CD1-CG1 4.03Å; L1861-V1944 HydrophobicContact CD1-CG2 4.33Å; L1861-V1944 HydrophobicContact CD2-CG1 4.15Å; L1861-V1944 HydrophobicContact CD2-CG2 3.96Å; L1861-V1944 HydrophobicContact CG-CG1 4.23Å; L1861-V1944 HydrophobicContact CG-CG2 3.76Å; L1861-F1987 HydrophobicContact CD1-CD2 4.48Å; L1861-F1987 HydrophobicContact CD1-CE2 3.7Å; L1861-F1987 HydrophobicContact CD1-CZ 4.1Å; L1861-T1990 HydrophobicContact CB-CG2 3.93Å; L1861-I1991 HydrophobicContact CD1-CB 4.04Å; L1861-I1991 HydrophobicContact CD1-CG1 4.18Å |
| 1862 | R | 76.8 | Confident | 69.4 | Low | 77 Ų | 77 | 72.3 Ų | 72.3 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 175.3 | -70 | 178.4 | -169.3 | 124.1 | 7.1 | 111.7 | Q1858 N1859 K1860 M1865 L1866 T1990 T1995 | Q1858-R1862 VanDerWaalsContact O-CG 3.3Å; Q1858-R1862 WeakPolarHBondContact O-CG 3.22Å; Q1858-R1862 PolarHBondContact O-N 3.2Å; N1859-R1862 PolarHBondContact O-N 3.34Å; N1859-R1862 PolarHBondContact OD1-NH1 3.01Å; K1860-R1862 PolarHBondContact O-N 3.44Å; R1862-M1865 PolarHBondContact O-N 2.75Å; R1862-L1866 WeakPolarHBondContact O-CB 3.23Å; R1862-L1866 VanDerWaalsContact O-CG 3.24Å; R1862-L1866 WeakPolarHBondContact O-CG 3.22Å; R1862-L1866 PolarHBondContact O-N 2.87Å; R1862-T1990 HydrophobicContact CG-CG2 3.62Å; R1862-T1990 PolarHBondContact NH2-OG1 3.4Å; R1862-T1995 HydrophobicContact CG-CG2 4Å |
| 1863 | S | 67.5 | Low | 66.6 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.6 | 72 | 0 | 0 | 0 | 0 | 112.9 | N1859 K1860 L1861 S1867 | N1859-S1863 PolarHBondContact O-N 3.24Å; N1859-S1863 PolarHBondContact O-OG 3.28Å; K1860-S1863 PolarHBondContact O-N 2.81Å; K1860-S1863 PolarHBondContact O-OG 3.4Å; L1861-S1863 VanDerWaalsContact C-N 3.34Å; L1861-S1863 PolarHBondContact O-N 2.93Å; S1863-S1867 WeakPolarHBondContact O-CB 3.27Å; S1863-S1867 PolarHBondContact O-N 3.23Å; S1863-S1867 VanDerWaalsContact O-N 3.12Å; S1863-S1867 PolarHBondContact O-OG 3.31Å |
| 1864 | N | 69.8 | Low | 63.7 | Low | 58 Ų | 58 | 75 Ų | 75 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 175.7 | -75.2 | 2.2 | 0 | 0 | 0 | 112 | K1860 L1861 S1867 R1868 P1941 | K1860-N1864 PolarHBondContact O-N 2.97Å; L1861-N1864 PolarHBondContact O-N 3.36Å; N1864-S1867 WeakPolarHBondContact CA-OG 3.49Å; N1864-S1867 PolarHBondContact O-OG 2.84Å; N1864-R1868 PolarHBondContact O-N 3.47Å; N1864-R1868 VanDerWaalsContact O-N 3.09Å; N1864-P1941 VanDerWaalsContact ND2-CG 3.29Å; N1864-P1941 WeakPolarHBondContact ND2-CG 3.41Å |
| 1865 | M | 65.9 | Low | 60.8 | Low | 20 Ų | 20 | 80.5 Ų | 80.5 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 177.6 | -69.9 | -108.3 | -176.1 | 0 | 0 | 111.9 | L1861 R1862 R1868 R1869 I1991 E2004 | L1861-M1865 WeakPolarHBondContact O-CB 3.34Å; L1861-M1865 WeakPolarHBondContact O-CG 3.43Å; L1861-M1865 PolarHBondContact O-N 3.31Å; R1862-M1865 PolarHBondContact O-N 2.75Å; M1865-R1868 PolarHBondContact O-N 3.27Å; M1865-R1869 WeakPolarHBondContact O-CB 3.16Å; M1865-R1869 PolarHBondContact O-N 3.38Å; M1865-I1991 WeakPolarHBondContact CE-O 3.22Å; M1865-E2004 HydrophobicContact CE-CB 4.03Å; M1865-E2004 HydrophobicContact CE-CG 4.01Å; M1865-E2004 HydrophobicContact SD-CG 3.84Å |
| 1866 | L | 56.8 | Low | 57.9 | Low | 92 Ų | 92 | 79.7 Ų | 79.7 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.5 | -74.3 | 166.6 | 0 | 0 | 0 | 111.2 | R1862 R1868 R1869 E1870 | R1862-L1866 WeakPolarHBondContact O-CB 3.23Å; R1862-L1866 VanDerWaalsContact O-CG 3.24Å; R1862-L1866 WeakPolarHBondContact O-CG 3.22Å; R1862-L1866 PolarHBondContact O-N 2.87Å; L1866-R1868 PolarHBondContact O-N 2.9Å; L1866-R1869 PolarHBondContact O-N 2.81Å; L1866-R1869 VanDerWaalsContact O-N 3.13Å; L1866-E1870 PolarHBondContact O-N 3.16Å |
| 1867 | S | 55.5 | Low | 54.9 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -33.1 | 175.5 | 54 | 0 | 0 | 0 | 0 | 113.4 | S1863 N1864 N1871 | S1863-S1867 WeakPolarHBondContact O-CB 3.27Å; S1863-S1867 PolarHBondContact O-N 3.23Å; S1863-S1867 VanDerWaalsContact O-N 3.12Å; S1863-S1867 PolarHBondContact O-OG 3.31Å; N1864-S1867 WeakPolarHBondContact CA-OG 3.49Å; N1864-S1867 PolarHBondContact O-OG 2.84Å; S1867-N1871 PolarHBondContact O-ND2 3.05Å |
| 1868 | R | 54 | Low | 52 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 33% | 0.328 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 168.9 | -82.5 | -177.8 | -177.5 | -162.7 | -5.8 | 112.6 | N1864 M1865 L1866 N1871 R1872 V1937 D1938 E2004 | N1864-R1868 PolarHBondContact O-N 3.47Å; N1864-R1868 VanDerWaalsContact O-N 3.09Å; M1865-R1868 PolarHBondContact O-N 3.27Å; L1866-R1868 PolarHBondContact O-N 2.9Å; R1868-N1871 PolarHBondContact O-N 3.43Å; R1868-R1872 PolarHBondContact O-N 3.41Å; R1868-V1937 PolarHBondContact NH2-O 3.46Å; R1868-D1938 IonicContact CZ-OD1 2.93Å; R1868-D1938 IonicContact NH2-OD1 2.67Å; R1868-D1938 PolarHBondContact NH2-OD1 3.19Å; R1868-E2004 IonicContact NH1-OE2 2.84Å; R1868-E2004 PolarHBondContact NH1-OE2 3.41Å |
| 1869 | R | 47.2 | Very low | 49.1 | Very low | 88 Ų | 88 | 94.8 Ų | 94.8 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | -176.1 | -142.1 | -179.2 | -167.5 | 174.4 | 1.7 | 112 | M1865 L1866 N1871 R1872 L1873 S1996 | M1865-R1869 WeakPolarHBondContact O-CB 3.16Å; M1865-R1869 PolarHBondContact O-N 3.38Å; L1866-R1869 PolarHBondContact O-N 2.81Å; L1866-R1869 VanDerWaalsContact O-N 3.13Å; R1869-N1871 VanDerWaalsContact C-N 3.28Å; R1869-N1871 PolarHBondContact O-N 3.08Å; R1869-R1872 PolarHBondContact O-N 3.06Å; R1869-L1873 HydrophobicContact CG-CD1 3.93Å; R1869-L1873 PolarHBondContact O-N 3.09Å; R1869-S1996 PolarHBondContact NH1-OG 3.49Å |
| 1870 | E | 39.8 | Very low | 46 | Very low | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | 175.4 | -74.9 | -178.8 | 168.7 | 0 | 0 | 111.7 | L1866 R1872 | L1866-E1870 PolarHBondContact O-N 3.16Å; E1870-R1872 PolarHBondContact O-N 2.95Å |
| 1871 | N | 39.3 | Very low | 43.1 | Very low | 137 Ų | 137 | 108.2 Ų | 108.2 | 73% | 0.733 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -21.3 | 174.3 | -79.9 | -35.1 | 0 | 0 | 0 | 114.3 | S1867 R1868 R1869 | S1867-N1871 PolarHBondContact O-ND2 3.05Å; R1868-N1871 PolarHBondContact O-N 3.43Å; R1869-N1871 VanDerWaalsContact C-N 3.28Å; R1869-N1871 PolarHBondContact O-N 3.08Å |
| 1872 | R | 33.1 | Very low | 40.5 | Very low | 182 Ų | 182 | 112.7 Ų | 112.7 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -100.8 | -30.6 | 178.7 | -66.9 | -166.9 | -167.3 | -176.3 | 8.1 | 114.3 | R1868 R1869 E1870 G1874 | R1868-R1872 PolarHBondContact O-N 3.41Å; R1869-R1872 PolarHBondContact O-N 3.06Å; E1870-R1872 PolarHBondContact O-N 2.95Å; R1872-G1874 VanDerWaalsContact C-N 3.28Å; R1872-G1874 PolarHBondContact O-N 3.03Å |
| 1873 | L | 29.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.4 | -13.2 | -175 | -92 | 156.5 | 0 | 0 | 0 | 114.5 | R1869 S1875 A1876 | R1869-L1873 HydrophobicContact CG-CD1 3.93Å; R1869-L1873 PolarHBondContact O-N 3.09Å; L1873-S1875 PolarHBondContact O-N 3Å; L1873-S1875 VanDerWaalsContact O-N 3.08Å; L1873-A1876 PolarHBondContact O-N 3.14Å |
| 1874 | G | 28.1 | Very low | 35.6 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 83% | 0.825 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -9.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1872 | R1872-G1874 VanDerWaalsContact C-N 3.28Å; R1872-G1874 PolarHBondContact O-N 3.03Å |
| 1875 | S | 28 | Very low | 33.3 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -1.7 | -177.7 | -169.8 | 0 | 0 | 0 | 0 | 115.4 | L1873 | L1873-S1875 PolarHBondContact O-N 3Å; L1873-S1875 VanDerWaalsContact O-N 3.08Å |
| 1876 | A | 24.6 | Very low | 31.3 | Very low | 72 Ų | 72 | 123 Ų | 123 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | trans | -112.9 | -5.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1873 Q1878 | L1873-A1876 PolarHBondContact O-N 3.14Å; A1876-Q1878 VanDerWaalsContact C-N 3.31Å; A1876-Q1878 PolarHBondContact O-N 3.11Å; A1876-Q1878 VanDerWaalsContact O-N 3.14Å | ||
| 1877 | I | 23 | Very low | 29.6 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 80% | 0.795 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -88.7 | 68.5 | 173.9 | -51.2 | 178.4 | 0 | 0 | 0 | 109.5 | ||
| 1878 | Q | 24.3 | Very low | 28.1 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -172.9 | 59.6 | 159.9 | -110.2 | 176.7 | 31.4 | 0 | 0 | 113 | A1876 | A1876-Q1878 VanDerWaalsContact C-N 3.31Å; A1876-Q1878 PolarHBondContact O-N 3.11Å; A1876-Q1878 VanDerWaalsContact O-N 3.14Å |
| 1879 | S | 24.2 | Very low | 26.5 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -168.3 | 79.9 | 149.9 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1880 | R | 19.3 | Very low | 25.2 | Very low | 248 Ų | 248 | 137.5 Ų | 137.5 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | trans | -104 | 107 | 148.5 | -89.6 | -175 | -177 | 169.8 | 1.9 | 107 | ||||
| 1881 | K | 20.8 | Very low | 24.4 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | 169.7 | 142.8 | 143.4 | -94 | 165.2 | -175.2 | -174.4 | 0 | 110.4 | ||||
| 1882 | S | 22.4 | Very low | 23.6 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 61.1 | 105.8 | 169.1 | 52 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1883 | S | 20.1 | Very low | 23.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 63 | 128.1 | 74.6 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1884 | S | 21.6 | Very low | 22.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 74.7 | 110.7 | 160.5 | 63.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1885 | V | 22.5 | Very low | 22.9 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | 50.9 | 117.3 | 127.1 | -173 | 0 | 0 | 0 | 0 | 118 | |||||
| 1886 | G | 22.8 | Very low | 23 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | 151.5 | 84.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1888 | G1886-P1888 WeakPolarHBondContact O-CD 3.15Š| ||
| 1887 | S | 21.7 | Very low | 23.3 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 112.4 | 164.1 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | R1889 | S1887-R1889 PolarHBondContact O-N 2.71Š| ||
| 1888 | P | 24.8 | Very low | 23.6 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -87.8 | 108.3 | 166.7 | 16.1 | 3.8 | 0 | 0 | 0 | 106.6 | G1886 M1890 | G1886-P1888 WeakPolarHBondContact O-CD 3.15Å; P1888-M1890 VanDerWaalsContact C-N 3.33Å; P1888-M1890 PolarHBondContact O-N 2.98Å | ||
| 1889 | R | 20.2 | Very low | 23.9 | Very low | 241 Ų | 241 | 131 Ų | 131 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -46.3 | 97.2 | 161.2 | -76.3 | 172.2 | 168.2 | 163.3 | -5 | 109.6 | S1887 | S1887-R1889 PolarHBondContact O-N 2.71Š| ||
| 1890 | M | 20.5 | Very low | 24.1 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 80% | 0.803 | 74% | 0.739 | S | S | * | * | trans | -106.7 | 92.7 | 159.6 | -74 | -63.6 | -67.4 | 0 | 0 | 106 | P1888 P1892 | P1888-M1890 VanDerWaalsContact C-N 3.33Å; P1888-M1890 PolarHBondContact O-N 2.98Å; M1890-P1892 VanDerWaalsContact O-CD 3.24Å; M1890-P1892 WeakPolarHBondContact O-CD 3.17Å | ||
| 1891 | S | 21 | Very low | 24.7 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -50.3 | 112.4 | 169.5 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | V1893 | S1891-V1893 PolarHBondContact O-N 2.84Š| ||
| 1892 | P | 24.2 | Very low | 25.2 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | trans | -77 | 113.9 | 169 | 28.4 | -22.8 | 0 | 0 | 0 | 107.5 | M1890 S1894 | M1890-P1892 VanDerWaalsContact O-CD 3.24Å; M1890-P1892 WeakPolarHBondContact O-CD 3.17Å; P1892-S1894 PolarHBondContact O-N 3.37Å | ||
| 1893 | V | 23.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -38.5 | 115.5 | 166.7 | 173 | 0 | 0 | 0 | 0 | 110.3 | S1891 T1895 | S1891-V1893 PolarHBondContact O-N 2.84Å; V1893-T1895 PolarHBondContact O-N 3.28Å; V1893-T1895 PolarHBondContact O-OG1 3.49Å | ||
| 1894 | S | 23.7 | Very low | 26.2 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | -48.5 | 106.1 | 169.7 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | P1892 | P1892-S1894 PolarHBondContact O-N 3.37Š| ||
| 1895 | T | 28 | Very low | 26.5 | Very low | 119 Ų | 119 | 122 Ų | 122 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | trans | -120.7 | 87.9 | 175.6 | 16.2 | 0 | 0 | 0 | 0 | 109.3 | V1893 D1897 | V1893-T1895 PolarHBondContact O-N 3.28Å; V1893-T1895 PolarHBondContact O-OG1 3.49Å; T1895-D1897 PolarHBondContact O-N 3.1Å | ||
| 1896 | N | 29.7 | Very low | 26.8 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 65% | 0.647 | 67% | 0.668 | S | S | * | * | trans | 52 | 51.2 | 143.6 | -60.4 | -10.4 | 0 | 0 | 0 | 118.4 | E1898 T1899 | N1896-E1898 PolarHBondContact O-N 2.81Å; N1896-E1898 VanDerWaalsContact O-N 3.15Å; N1896-T1899 PolarHBondContact O-N 2.78Å; N1896-T1899 PolarHBondContact O-OG1 2.78Å | ||
| 1897 | D | 30.7 | Very low | 27.1 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -13.8 | 162.6 | -128.3 | -0.7 | 0 | 0 | 0 | 113 | T1895 T1899 L1900 K1901 | T1895-D1897 PolarHBondContact O-N 3.1Å; D1897-T1899 PolarHBondContact O-N 3.03Å; D1897-L1900 PolarHBondContact O-N 3.09Å; D1897-K1901 PolarHBondContact O-N 3.41Å |
| 1898 | E | 30.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.6 | -23.3 | 172.5 | -98.7 | -158.6 | -174.6 | 0 | 0 | 114 | N1896 K1902 | N1896-E1898 PolarHBondContact O-N 2.81Å; N1896-E1898 VanDerWaalsContact O-N 3.15Å; E1898-K1902 WeakPolarHBondContact O-CB 3.44Å; E1898-K1902 VanDerWaalsContact O-CG 3.23Å; E1898-K1902 WeakPolarHBondContact O-CG 3.47Å; E1898-K1902 PolarHBondContact O-N 2.99Å; E1898-K1902 IonicContact OE2-NZ 2.68Å; E1898-K1902 PolarHBondContact OE2-NZ 3.38Å |
| 1899 | T | 30.7 | Very low | 27.5 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -78 | -36 | 178.7 | 53.8 | 0 | 0 | 0 | 0 | 112 | N1896 D1897 K1902 I1903 | N1896-T1899 PolarHBondContact O-N 2.78Å; N1896-T1899 PolarHBondContact O-OG1 2.78Å; D1897-T1899 PolarHBondContact O-N 3.03Å; T1899-K1902 PolarHBondContact O-N 2.95Å; T1899-I1903 VanDerWaalsContact O-CG1 3.27Å; T1899-I1903 WeakPolarHBondContact O-CG1 3.1Å; T1899-I1903 PolarHBondContact O-N 3.1Å |
| 1900 | L | 28.4 | Very low | 27.9 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 56% | 0.56 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.6 | -40.2 | 173.2 | -114.5 | 110.3 | 0 | 0 | 0 | 111.2 | D1897 I1903 Q1904 | D1897-L1900 PolarHBondContact O-N 3.09Å; L1900-I1903 PolarHBondContact O-N 2.95Å; L1900-Q1904 WeakPolarHBondContact O-CB 3.26Å; L1900-Q1904 PolarHBondContact O-N 3.22Å |
| 1901 | K | 31.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 138 Ų | 138 | 57% | 0.574 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.2 | -42 | 170.5 | -84.8 | -172.7 | 175.9 | -178 | 0 | 112.2 | D1897 I1903 Q1904 E1905 | D1897-K1901 PolarHBondContact O-N 3.41Å; K1901-I1903 VanDerWaalsContact C-N 3.27Å; K1901-I1903 PolarHBondContact O-N 2.98Å; K1901-Q1904 PolarHBondContact O-N 3.48Å; K1901-E1905 WeakPolarHBondContact O-CA 3.28Å; K1901-E1905 WeakPolarHBondContact O-CB 3.23Å; K1901-E1905 WeakPolarHBondContact O-CG 3.45Å; K1901-E1905 PolarHBondContact O-N 2.86Å |
| 1902 | K | 31.4 | Very low | 28.4 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 50% | 0.504 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -66.7 | -26.3 | 175.9 | -79.7 | 167.8 | 176.1 | 155.4 | 0 | 113.2 | E1898 T1899 R1906 | E1898-K1902 WeakPolarHBondContact O-CB 3.44Å; E1898-K1902 VanDerWaalsContact O-CG 3.23Å; E1898-K1902 WeakPolarHBondContact O-CG 3.47Å; E1898-K1902 PolarHBondContact O-N 2.99Å; E1898-K1902 IonicContact OE2-NZ 2.68Å; E1898-K1902 PolarHBondContact OE2-NZ 3.38Å; T1899-K1902 PolarHBondContact O-N 2.95Å; K1902-R1906 VanDerWaalsContact O-CB 3.26Å; K1902-R1906 WeakPolarHBondContact O-CB 3.34Å; K1902-R1906 PolarHBondContact O-N 3.22Å |
| 1903 | I | 29.9 | Very low | 28.4 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 51% | 0.513 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -79.1 | -41.3 | 173.2 | -68.6 | 166.3 | 0 | 0 | 0 | 111 | T1899 L1900 K1901 R1906 M1907 | T1899-I1903 VanDerWaalsContact O-CG1 3.27Å; T1899-I1903 WeakPolarHBondContact O-CG1 3.1Å; T1899-I1903 PolarHBondContact O-N 3.1Å; L1900-I1903 PolarHBondContact O-N 2.95Å; K1901-I1903 VanDerWaalsContact C-N 3.27Å; K1901-I1903 PolarHBondContact O-N 2.98Å; I1903-R1906 PolarHBondContact O-N 3.16Å; I1903-M1907 HydrophobicContact CG2-CE 4.05Å; I1903-M1907 PolarHBondContact O-N 3.27Å |
| 1904 | Q | 33.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.9 | -36.5 | 174.6 | -86.7 | -179.9 | -37.2 | 0 | 0 | 112.4 | L1900 K1901 M1907 R1908 | L1900-Q1904 WeakPolarHBondContact O-CB 3.26Å; L1900-Q1904 PolarHBondContact O-N 3.22Å; K1901-Q1904 PolarHBondContact O-N 3.48Å; Q1904-M1907 CarbonylContact O-C 3.58Å; Q1904-M1907 PolarHBondContact O-N 2.94Å; Q1904-R1908 PolarHBondContact O-N 3Å |
| 1905 | E | 28.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72 | -33.3 | 172.6 | -76 | 178.7 | 171.9 | 0 | 0 | 111.4 | K1901 M1907 R1908 R1909 | K1901-E1905 WeakPolarHBondContact O-CA 3.28Å; K1901-E1905 WeakPolarHBondContact O-CB 3.23Å; K1901-E1905 WeakPolarHBondContact O-CG 3.45Å; K1901-E1905 PolarHBondContact O-N 2.86Å; E1905-M1907 VanDerWaalsContact C-N 3.34Å; E1905-R1908 PolarHBondContact O-N 2.99Å; E1905-R1909 WeakPolarHBondContact O-CB 3.31Å; E1905-R1909 PolarHBondContact O-N 3.39Å |
| 1906 | R | 28.4 | Very low | 28.2 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.2 | -36.1 | 168 | -106.7 | -178.8 | 170.8 | 161 | -1.8 | 112.5 | K1902 I1903 | K1902-R1906 VanDerWaalsContact O-CB 3.26Å; K1902-R1906 WeakPolarHBondContact O-CB 3.34Å; K1902-R1906 PolarHBondContact O-N 3.22Å; I1903-R1906 PolarHBondContact O-N 3.16Å |
| 1907 | M | 30.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73 | -29.7 | 174.1 | -84.5 | -162.2 | -84.8 | 0 | 0 | 112.8 | I1903 Q1904 E1905 | I1903-M1907 HydrophobicContact CG2-CE 4.05Å; I1903-M1907 PolarHBondContact O-N 3.27Å; Q1904-M1907 CarbonylContact O-C 3.58Å; Q1904-M1907 PolarHBondContact O-N 2.94Å; E1905-M1907 VanDerWaalsContact C-N 3.34Å |
| 1908 | R | 28.3 | Very low | 27.4 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -74.5 | -35.1 | 171.9 | -81.9 | -169.4 | 176.3 | -168.2 | -0.8 | 112.7 | Q1904 E1905 W1910 R1911 | Q1904-R1908 PolarHBondContact O-N 3Å; E1905-R1908 PolarHBondContact O-N 2.99Å; R1908-W1910 PolarHBondContact O-N 3Å; R1908-W1910 VanDerWaalsContact O-N 3.12Å; R1908-R1911 WeakPolarHBondContact O-CB 3.41Å; R1908-R1911 PolarHBondContact O-N 3.48Å; R1908-R1911 VanDerWaalsContact O-N 3.08Å |
| 1909 | R | 26 | Very low | 27 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -6.7 | 178.4 | -99.6 | -176.1 | 176.5 | 156.3 | 0.6 | 115.7 | E1905 | E1905-R1909 WeakPolarHBondContact O-CB 3.31Å; E1905-R1909 PolarHBondContact O-N 3.39Å |
| 1910 | W | 28.2 | Very low | 26.6 | Very low | 235 Ų | 235 | 148.2 Ų | 148.2 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 12.2 | 172.1 | -74.1 | -18.9 | 0 | 0 | 0 | 113.6 | R1908 | R1908-W1910 PolarHBondContact O-N 3Å; R1908-W1910 VanDerWaalsContact O-N 3.12Å |
| 1911 | R | 27 | Very low | 26.3 | Very low | 207 Ų | 207 | 147.6 Ų | 147.6 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.4 | -17.4 | 176 | -166.1 | 174.2 | -71.8 | -158.1 | -3.2 | 113.9 | R1908 | R1908-R1911 WeakPolarHBondContact O-CB 3.41Å; R1908-R1911 PolarHBondContact O-N 3.48Å; R1908-R1911 VanDerWaalsContact O-N 3.08Å |
| 1912 | D | 25.5 | Very low | 26.1 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -116.2 | 52.9 | -167.8 | -65.5 | -21.4 | 0 | 0 | 0 | 114 | ||||
| 1913 | E | 23.9 | Very low | 25.7 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -125.8 | 122.4 | 162.9 | -81.8 | -89.1 | 148.5 | 0 | 0 | 109.4 | ||||
| 1914 | D | 23.5 | Very low | 25.6 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -54.2 | 129.1 | -172.6 | -63.2 | -61.6 | 0 | 0 | 0 | 114 | ||||
| 1915 | S | 25.9 | Very low | 25.2 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -163.8 | 139.8 | 143.2 | -81.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1916 | P | 22.2 | Very low | 25 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -99.1 | 149.3 | -158.9 | 33.5 | -22.4 | 0 | 0 | 0 | 114 | ||||
| 1917 | A | 20.5 | Very low | 24.9 | Very low | 89 Ų | 89 | 150.9 Ų | 150.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 29.8 | 88.8 | 150 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 1918 | N | 21.5 | Very low | 24.7 | Very low | 171 Ų | 171 | 150.8 Ų | 150.8 | 91% | 0.914 | 75% | 0.751 | S | S | * | * | trans | 169.3 | 75.9 | 140.3 | -87.3 | -24.9 | 0 | 0 | 0 | 111 | ||||
| 1919 | S | 21.9 | Very low | 24.4 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -157.9 | 105.7 | 153.5 | -162.3 | 0 | 0 | 0 | 0 | 108.4 | D1921 | S1919-D1921 PolarHBondContact O-N 2.72Š| ||
| 1920 | I | 23.5 | Very low | 24.3 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -64.9 | 102.7 | 174 | -69.9 | 162.1 | 0 | 0 | 0 | 106.2 | L1922 | I1920-L1922 PolarHBondContact O-N 3.18Å; I1920-L1922 VanDerWaalsContact O-N 3.08Å | ||
| 1921 | D | 22.2 | Very low | 24.3 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 50% | 0.497 | 74% | 0.739 | S | S | . | * | trans | -77.3 | 96.3 | -170.1 | -148.6 | 16.5 | 0 | 0 | 0 | 109.4 | S1919 R1923 | S1919-D1921 PolarHBondContact O-N 2.72Å; D1921-R1923 VanDerWaalsContact CG-CD 3.46Å; D1921-R1923 PolarHBondContact O-N 3.03Å; D1921-R1923 WeakPolarHBondContact OD1-CD 3.44Å; D1921-R1923 WeakPolarHBondContact OD1-CG 3.36Å; D1921-R1923 IonicContact OD1-CZ 2.79Å; D1921-R1923 IonicContact OD1-NE 2.73Å; D1921-R1923 PolarHBondContact OD1-NE 3.27Å; D1921-R1923 IonicContact OD1-NH2 3.06Å; D1921-R1923 WeakPolarHBondContact OD2-CD 3.48Å; D1921-R1923 IonicContact OD2-CZ 2.72Å; D1921-R1923 IonicContact OD2-NE 2.74Å; D1921-R1923 PolarHBondContact OD2-NE 2.96Å | ||
| 1922 | L | 25.6 | Very low | 24.3 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 28.6 | 172 | -108.9 | 105.6 | 0 | 0 | 0 | 113.2 | I1920 | I1920-L1922 PolarHBondContact O-N 3.18Å; I1920-L1922 VanDerWaalsContact O-N 3.08Å |
| 1923 | R | 24.5 | Very low | 24.5 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -10.9 | -170.3 | -77.3 | -172.8 | -156.5 | -173.3 | -2.1 | 115.2 | D1921 D1925 | D1921-R1923 VanDerWaalsContact CG-CD 3.46Å; D1921-R1923 PolarHBondContact O-N 3.03Å; D1921-R1923 WeakPolarHBondContact OD1-CD 3.44Å; D1921-R1923 WeakPolarHBondContact OD1-CG 3.36Å; D1921-R1923 IonicContact OD1-CZ 2.79Å; D1921-R1923 IonicContact OD1-NE 2.73Å; D1921-R1923 PolarHBondContact OD1-NE 3.27Å; D1921-R1923 IonicContact OD1-NH2 3.06Å; D1921-R1923 WeakPolarHBondContact OD2-CD 3.48Å; D1921-R1923 IonicContact OD2-CZ 2.72Å; D1921-R1923 IonicContact OD2-NE 2.74Å; D1921-R1923 PolarHBondContact OD2-NE 2.96Å; R1923-D1925 VanDerWaalsContact C-N 3.3Å; R1923-D1925 PolarHBondContact O-N 3.37Å |
| 1924 | S | 26.3 | Very low | 24.8 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -68.8 | -25.8 | -179 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1925 | D | 25.8 | Very low | 25.3 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -93.1 | -17.2 | -174.9 | -85.6 | -10.2 | 0 | 0 | 0 | 115.7 | R1923 L1927 | R1923-D1925 VanDerWaalsContact C-N 3.3Å; R1923-D1925 PolarHBondContact O-N 3.37Å; D1925-L1927 VanDerWaalsContact C-N 3.25Å; D1925-L1927 PolarHBondContact O-N 3.26Å |
| 1926 | R | 24.5 | Very low | 25.8 | Very low | 169 Ų | 169 | 138 Ų | 138 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -79.9 | -5.7 | 175.1 | -77 | -170.9 | -177.6 | -171.5 | 2.3 | 113.4 | D1647 L1928 | D1647-R1926 IonicContact OD2-NH2 3.52Å; D1647-R1926 PolarHBondContact OD2-NH2 3.1Å; R1926-L1928 VanDerWaalsContact C-N 3.35Å |
| 1927 | L | 25 | Very low | 26.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76.5 | -20.2 | 174.5 | -77.5 | 163.6 | 0 | 0 | 0 | 113.1 | D1925 W1929 | D1925-L1927 VanDerWaalsContact C-N 3.25Å; D1925-L1927 PolarHBondContact O-N 3.26Å; L1927-W1929 VanDerWaalsContact C-N 3.26Å; L1927-W1929 PolarHBondContact O-N 3.39Å |
| 1928 | L | 26.2 | Very low | 28.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -70.6 | -11.7 | -179.6 | -97.4 | 147 | 0 | 0 | 0 | 115.2 | R1926 | R1926-L1928 VanDerWaalsContact C-N 3.35Š|
| 1929 | W | 22.7 | Very low | 29.9 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -109.3 | -5 | -179.2 | -65.5 | 77.3 | 0 | 0 | 0 | 114.6 | L1927 | L1927-W1929 VanDerWaalsContact C-N 3.26Å; L1927-W1929 PolarHBondContact O-N 3.39Å |
| 1930 | K | 24.7 | Very low | 32.1 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -12.8 | 176.9 | -89.2 | -170.5 | 176.1 | -178.8 | 0 | 114.8 | Q1932 | K1930-Q1932 VanDerWaalsContact C-N 3.26Š|
| 1931 | E | 26.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -74.1 | -19.5 | 172 | -69.1 | -158.1 | 145.1 | 0 | 0 | 112.8 | E1933 K1934 A1935 | E1931-E1933 VanDerWaalsContact C-N 3.33Å; E1931-E1933 PolarHBondContact O-N 3.03Å; E1931-K1934 PolarHBondContact O-N 3.47Å; E1931-K1934 VanDerWaalsContact O-N 3.08Å; E1931-A1935 WeakPolarHBondContact O-CB 3.18Å; E1931-A1935 PolarHBondContact O-N 3.15Å |
| 1932 | Q | 27.5 | Very low | 36.7 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.7 | -27 | -172.1 | -139 | 151.8 | 7.5 | 0 | 0 | 114.3 | K1930 K1934 A1935 | K1930-Q1932 VanDerWaalsContact C-N 3.26Å; Q1932-K1934 PolarHBondContact O-N 3.01Å; Q1932-A1935 PolarHBondContact O-N 2.84Å |
| 1933 | E | 30 | Very low | 39.3 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 90% | 0.902 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.1 | -13.4 | 175.5 | -75.6 | -168.6 | 163.3 | 0 | 0 | 114.3 | E1931 | E1931-E1933 VanDerWaalsContact C-N 3.33Å; E1931-E1933 PolarHBondContact O-N 3.03Å |
| 1934 | K | 29.9 | Very low | 42 | Very low | 195 Ų | 195 | 112.3 Ų | 112.3 | 85% | 0.848 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -102 | -17 | 167.8 | -76.7 | -172.9 | 178.4 | 179.6 | 0 | 113 | E1931 Q1932 | E1931-K1934 PolarHBondContact O-N 3.47Å; E1931-K1934 VanDerWaalsContact O-N 3.08Å; Q1932-K1934 PolarHBondContact O-N 3.01Å |
| 1935 | A | 33.8 | Very low | 44.5 | Very low | 11 Ų | 11 | 110.8 Ų | 110.8 | 9% | 0.091 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -85.5 | -13.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1931 Q1932 V1937 D1938 M1939 | E1931-A1935 WeakPolarHBondContact O-CB 3.18Å; E1931-A1935 PolarHBondContact O-N 3.15Å; Q1932-A1935 PolarHBondContact O-N 2.84Å; A1935-V1937 PolarHBondContact O-N 3.35Å; A1935-D1938 PolarHBondContact O-N 3.45Å; A1935-M1939 HydrophobicContact CB-CG 4.31Å; A1935-M1939 PolarHBondContact O-N 3.34Å |
| 1936 | D | 36.6 | Very low | 47.2 | Very low | 144 Ų | 144 | 106.4 Ų | 106.4 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.4 | -178.2 | -104.5 | 4.9 | 0 | 0 | 0 | 114.4 | ||
| 1937 | V | 45.4 | Very low | 50.2 | Low | 117 Ų | 117 | 98.4 Ų | 98.4 | 71% | 0.709 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -17.1 | 176.2 | -174 | 0 | 0 | 0 | 0 | 112.7 | R1868 A1935 | R1868-V1937 PolarHBondContact NH2-O 3.46Å; A1935-V1937 PolarHBondContact O-N 3.35Å |
| 1938 | D | 49 | Very low | 53.1 | Low | 64 Ų | 64 | 93.4 Ų | 93.4 | 34% | 0.342 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 4.4 | -172.6 | -76.2 | -42.6 | 0 | 0 | 0 | 116 | R1868 A1935 Y2008 | R1868-D1938 IonicContact CZ-OD1 2.93Å; R1868-D1938 IonicContact NH2-OD1 2.67Å; R1868-D1938 PolarHBondContact NH2-OD1 3.19Å; A1935-D1938 PolarHBondContact O-N 3.45Å; D1938-Y2008 HydrophobicContact CB-CD2 3.9Å; D1938-Y2008 HydrophobicContact CB-CE2 4.02Å |
| 1939 | M | 55.5 | Low | 55.8 | Low | 135 Ų | 135 | 88.8 Ų | 88.8 | 67% | 0.665 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 136.8 | 168.9 | -102.4 | -82 | 173.8 | 0 | 0 | 111.6 | A1935 | A1935-M1939 HydrophobicContact CB-CG 4.31Å; A1935-M1939 PolarHBondContact O-N 3.34Å |
| 1940 | L | 68 | Low | 58.9 | Low | 37 Ų | 37 | 79 Ų | 79 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 138.8 | 173.4 | -73.4 | 164.3 | 0 | 0 | 0 | 109.7 | L1861 V1944 T1945 N2009 L2012 | L1861-L1940 HydrophobicContact CD2-CD2 4.41Å; L1940-V1944 HydrophobicContact CB-CB 4.48Å; L1940-V1944 HydrophobicContact CD2-CG1 3.99Å; L1940-T1945 HydrophobicContact CB-CG2 3.86Å; L1940-N2009 HydrophobicContact CD1-CB 4.43Å; L1940-N2009 HydrophobicContact CD2-CB 4.46Å; L1940-L2012 HydrophobicContact CD1-CD2 4.23Å |
| 1941 | P | 72.3 | Confident | 62 | Low | 18 Ų | 18 | 70.4 Ų | 70.4 | 12% | 0.117 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 148.1 | 174.1 | -21.6 | 31 | 0 | 0 | 0 | 111.5 | K1860 N1864 E1943 V1944 T1945 | K1860-P1941 HydrophobicContact CG-CB 4.09Å; K1860-P1941 HydrophobicContact CG-CG 4.06Å; N1864-P1941 VanDerWaalsContact ND2-CG 3.29Å; N1864-P1941 WeakPolarHBondContact ND2-CG 3.41Å; P1941-E1943 WeakPolarHBondContact CB-OE2 3.36Å; P1941-E1943 PolarHBondContact O-N 3.19Å; P1941-E1943 VanDerWaalsContact O-N 3.15Å; P1941-V1944 HydrophobicContact CB-CG2 4.2Å; P1941-V1944 HydrophobicContact CG-CG2 4.16Å; P1941-V1944 WeakPolarHBondContact O-CA 3.49Å; P1941-V1944 WeakPolarHBondContact O-CB 3.45Å; P1941-V1944 PolarHBondContact O-N 3.26Å; P1941-T1945 PolarHBondContact O-N 3.46Å |
| 1942 | P | 71 | Confident | 64.9 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.9 | -31.8 | 179.4 | 22.8 | -32.6 | 0 | 0 | 0 | 112.6 | V1944 T1945 V1946 | P1942-V1944 PolarHBondContact O-N 3.45Å; P1942-T1945 WeakPolarHBondContact CA-OG1 3.2Å; P1942-T1945 PolarHBondContact O-N 2.94Å; P1942-T1945 PolarHBondContact O-OG1 2.8Å; P1942-V1946 VanDerWaalsContact O-CG2 3.3Å; P1942-V1946 WeakPolarHBondContact O-CG2 3.38Å; P1942-V1946 PolarHBondContact O-N 3.21Å |
| 1943 | E | 79.5 | Confident | 67.8 | Low | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -23.9 | 175.7 | -53.6 | 93.5 | 146.5 | 0 | 0 | 112.7 | A1857 P1941 | A1857-E1943 WeakPolarHBondContact CB-O 3.38Å; P1941-E1943 WeakPolarHBondContact CB-OE2 3.36Å; P1941-E1943 PolarHBondContact O-N 3.19Å; P1941-E1943 VanDerWaalsContact O-N 3.15Å |
| 1944 | V | 81.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -93.9 | -36.3 | 179.5 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | A1857 L1861 L1940 P1941 P1942 V1946 M1947 F1987 L2012 | A1857-V1944 HydrophobicContact CB-CG2 4.4Å; L1861-V1944 HydrophobicContact CD1-CG1 4.03Å; L1861-V1944 HydrophobicContact CD1-CG2 4.33Å; L1861-V1944 HydrophobicContact CD2-CG1 4.15Å; L1861-V1944 HydrophobicContact CD2-CG2 3.96Å; L1861-V1944 HydrophobicContact CG-CG1 4.23Å; L1861-V1944 HydrophobicContact CG-CG2 3.76Å; L1940-V1944 HydrophobicContact CB-CB 4.48Å; L1940-V1944 HydrophobicContact CD2-CG1 3.99Å; P1941-V1944 HydrophobicContact CB-CG2 4.2Å; P1941-V1944 HydrophobicContact CG-CG2 4.16Å; P1941-V1944 WeakPolarHBondContact O-CA 3.49Å; P1941-V1944 WeakPolarHBondContact O-CB 3.45Å; P1941-V1944 PolarHBondContact O-N 3.26Å; P1942-V1944 PolarHBondContact O-N 3.45Å; V1944-V1946 VanDerWaalsContact C-N 3.32Å; V1944-V1946 PolarHBondContact O-N 3.18Å; V1944-M1947 WeakPolarHBondContact O-CB 3.44Å; V1944-M1947 PolarHBondContact O-N 3.29Å; V1944-M1947 VanDerWaalsContact O-N 3.09Å; V1944-F1987 HydrophobicContact CG1-CZ 4.26Å; V1944-L2012 HydrophobicContact CG1-CD2 3.61Å |
| 1945 | T | 79.3 | Confident | 73.1 | Confident | 68 Ų | 68 | 43 Ų | 43 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -36.5 | 178.9 | 57 | 0 | 0 | 0 | 0 | 112.2 | L1940 P1941 P1942 M1947 G1948 | L1940-T1945 HydrophobicContact CB-CG2 3.86Å; P1941-T1945 PolarHBondContact O-N 3.46Å; P1942-T1945 WeakPolarHBondContact CA-OG1 3.2Å; P1942-T1945 PolarHBondContact O-N 2.94Å; P1942-T1945 PolarHBondContact O-OG1 2.8Å; T1945-M1947 PolarHBondContact O-N 3.37Å; T1945-M1947 VanDerWaalsContact O-N 3.14Å; T1945-G1948 PolarHBondContact O-N 3Å |
| 1946 | V | 82.6 | Confident | 75.4 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -29.3 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 112 | F1814 V1815 P1942 V1944 G1948 S1949 I1950 | F1814-V1946 HydrophobicContact CD1-CG1 4.35Å; F1814-V1946 HydrophobicContact CE1-CG1 3.88Å; V1815-V1946 HydrophobicContact CG2-CG1 4.35Å; V1815-V1946 HydrophobicContact CG2-CG2 3.77Å; P1942-V1946 VanDerWaalsContact O-CG2 3.3Å; P1942-V1946 WeakPolarHBondContact O-CG2 3.38Å; P1942-V1946 PolarHBondContact O-N 3.21Å; V1944-V1946 VanDerWaalsContact C-N 3.32Å; V1944-V1946 PolarHBondContact O-N 3.18Å; V1946-G1948 PolarHBondContact O-N 2.95Å; V1946-S1949 PolarHBondContact O-N 3.09Å; V1946-S1949 VanDerWaalsContact O-N 3.16Å; V1946-I1950 HydrophobicContact CG1-CD1 3.91Å; V1946-I1950 HydrophobicContact CG1-CG1 4.24Å; V1946-I1950 PolarHBondContact O-N 3.3Å; V1946-I1950 VanDerWaalsContact O-N 3.12Å |
| 1947 | M | 87.6 | Confident | 77.5 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -27.6 | 179 | -154.3 | 57.3 | -125.9 | 0 | 0 | 112.2 | M1854 V1944 T1945 S1949 I1950 L1951 F1987 L2012 | M1854-M1947 HydrophobicContact CB-CE 4.46Å; M1854-M1947 HydrophobicContact CB-SD 3.98Å; M1854-M1947 HydrophobicContact CE-CE 3.46Å; M1854-M1947 VanDerWaalsContact CE-CE 3.46Å; M1854-M1947 HydrophobicContact CE-SD 4.39Å; M1854-M1947 HydrophobicContact CG-CE 4.33Å; M1854-M1947 HydrophobicContact CG-SD 4.04Å; V1944-M1947 WeakPolarHBondContact O-CB 3.44Å; V1944-M1947 PolarHBondContact O-N 3.29Å; V1944-M1947 VanDerWaalsContact O-N 3.09Å; T1945-M1947 PolarHBondContact O-N 3.37Å; T1945-M1947 VanDerWaalsContact O-N 3.14Å; M1947-S1949 PolarHBondContact O-N 2.96Å; M1947-I1950 HydrophobicContact CE-CB 3.67Å; M1947-I1950 HydrophobicContact CE-CD1 4.42Å; M1947-I1950 HydrophobicContact CE-CG2 3.41Å; M1947-I1950 VanDerWaalsContact CE-CG2 3.41Å; M1947-I1950 PolarHBondContact O-N 3.25Å; M1947-I1950 HydrophobicContact SD-CB 4.28Å; M1947-I1950 HydrophobicContact SD-CD1 4.04Å; M1947-I1950 HydrophobicContact SD-CG2 4.38Å; M1947-L1951 HydrophobicContact CE-CD2 3.75Å; M1947-L1951 HydrophobicContact CE-CG 3.66Å; M1947-L1951 HydrophobicContact CG-CD1 4.37Å; M1947-L1951 HydrophobicContact CG-CG 4.39Å; M1947-L1951 WeakPolarHBondContact O-CB 3.36Å; M1947-L1951 VanDerWaalsContact O-CG 3.23Å; M1947-L1951 WeakPolarHBondContact O-CG 3.1Å; M1947-L1951 PolarHBondContact O-N 2.9Å; M1947-F1987 HydrophobicContact CB-CZ 4.11Å; M1947-F1987 HydrophobicContact CG-CD1 4.44Å; M1947-F1987 HydrophobicContact CG-CD2 4.49Å; M1947-F1987 HydrophobicContact CG-CE1 3.99Å; M1947-F1987 HydrophobicContact CG-CE2 4.05Å; M1947-F1987 HydrophobicContact CG-CZ 3.78Å; M1947-L2012 HydrophobicContact CB-CD1 4.46Å |
| 1948 | G | 84.1 | Confident | 79.2 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1945 V1946 R1952 | T1945-G1948 PolarHBondContact O-N 3Å; V1946-G1948 PolarHBondContact O-N 2.95Å; G1948-R1952 PolarHBondContact O-N 3.28Å |
| 1949 | S | 83.2 | Confident | 80.5 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.3 | -40.5 | 176.2 | -61 | 0 | 0 | 0 | 0 | 112 | E1819 V1946 M1947 R1952 L1953 | E1819-S1949 VanDerWaalsContact OE1-CB 3.27Å; E1819-S1949 WeakPolarHBondContact OE1-CB 3.46Å; E1819-S1949 PolarHBondContact OE1-OG 3.32Å; V1946-S1949 PolarHBondContact O-N 3.09Å; V1946-S1949 VanDerWaalsContact O-N 3.16Å; M1947-S1949 PolarHBondContact O-N 2.96Å; S1949-R1952 PolarHBondContact O-N 3.44Å; S1949-L1953 PolarHBondContact O-N 3.35Å |
| 1950 | I | 89.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.5 | -65.6 | 170.6 | 0 | 0 | 0 | 110.8 | F1814 V1818 L1850 K1853 V1946 M1947 R1952 L1953 L1954 | F1814-I1950 HydrophobicContact CE1-CD1 4.02Å; F1814-I1950 HydrophobicContact CE1-CG1 4.35Å; F1814-I1950 HydrophobicContact CZ-CD1 4.02Å; F1814-I1950 HydrophobicContact CZ-CG1 4.39Å; V1818-I1950 HydrophobicContact CG1-CG1 4.38Å; V1818-I1950 HydrophobicContact CG2-CG1 4.48Å; L1850-I1950 HydrophobicContact CD1-CG2 4.48Å; L1850-I1950 HydrophobicContact CD2-CD1 4.35Å; L1850-I1950 HydrophobicContact CD2-CG1 4.38Å; L1850-I1950 HydrophobicContact CD2-CG2 4.01Å; K1853-I1950 HydrophobicContact CB-CD1 4.34Å; V1946-I1950 HydrophobicContact CG1-CD1 3.91Å; V1946-I1950 HydrophobicContact CG1-CG1 4.24Å; V1946-I1950 PolarHBondContact O-N 3.3Å; V1946-I1950 VanDerWaalsContact O-N 3.12Å; M1947-I1950 HydrophobicContact CE-CB 3.67Å; M1947-I1950 HydrophobicContact CE-CD1 4.42Å; M1947-I1950 HydrophobicContact CE-CG2 3.41Å; M1947-I1950 VanDerWaalsContact CE-CG2 3.41Å; M1947-I1950 PolarHBondContact O-N 3.25Å; M1947-I1950 HydrophobicContact SD-CB 4.28Å; M1947-I1950 HydrophobicContact SD-CD1 4.04Å; M1947-I1950 HydrophobicContact SD-CG2 4.38Å; I1950-R1952 VanDerWaalsContact C-N 3.28Å; I1950-R1952 PolarHBondContact O-N 3.48Å; I1950-L1953 WeakPolarHBondContact O-CB 3.39Å; I1950-L1953 PolarHBondContact O-N 3.42Å; I1950-L1954 HydrophobicContact CG2-CD1 4.11Å; I1950-L1954 HydrophobicContact CG2-CG 4.42Å; I1950-L1954 WeakPolarHBondContact O-CG 3.23Å; I1950-L1954 PolarHBondContact O-N 2.84Å |
| 1951 | L | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62 | -37.4 | 179.1 | -72.4 | 173.8 | 0 | 0 | 0 | 111.7 | M1947 L1954 Q1955 T1984 F1987 L2012 R2015 A2016 S2019 | M1947-L1951 HydrophobicContact CE-CD2 3.75Å; M1947-L1951 HydrophobicContact CE-CG 3.66Å; M1947-L1951 HydrophobicContact CG-CD1 4.37Å; M1947-L1951 HydrophobicContact CG-CG 4.39Å; M1947-L1951 WeakPolarHBondContact O-CB 3.36Å; M1947-L1951 VanDerWaalsContact O-CG 3.23Å; M1947-L1951 WeakPolarHBondContact O-CG 3.1Å; M1947-L1951 PolarHBondContact O-N 2.9Å; L1951-L1954 PolarHBondContact O-N 3.23Å; L1951-Q1955 WeakPolarHBondContact O-CB 3.38Å; L1951-Q1955 PolarHBondContact O-N 2.83Å; L1951-T1984 HydrophobicContact CD2-CG2 3.69Å; L1951-F1987 HydrophobicContact CD1-CE1 4.48Å; L1951-L2012 HydrophobicContact CD1-CD1 4.08Å; L1951-R2015 HydrophobicContact CB-CG 3.74Å; L1951-R2015 HydrophobicContact CD1-CG 4.38Å; L1951-A2016 HydrophobicContact CD1-CB 3.99Å; L1951-S2019 PolarHBondContact O-OG 3.06Å |
| 1952 | R | 88.1 | Confident | 81.5 | Confident | 47 Ų | 47 | 26.4 Ų | 26.4 | 18% | 0.177 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 174.8 | -175 | 47.7 | 168.6 | 164.3 | 10.7 | 112.3 | K1822 G1948 S1949 I1950 Q1955 L1956 E1959 R2015 | K1822-R1952 HydrophobicContact CD-CB 4.47Å; K1822-R1952 HydrophobicContact CD-CG 3.85Å; K1822-R1952 HydrophobicContact CG-CG 3.96Å; G1948-R1952 PolarHBondContact O-N 3.28Å; S1949-R1952 PolarHBondContact O-N 3.44Å; I1950-R1952 VanDerWaalsContact C-N 3.28Å; I1950-R1952 PolarHBondContact O-N 3.48Å; R1952-Q1955 VanDerWaalsContact NH1-OE1 3.13Å; R1952-Q1955 WeakPolarHBondContact O-CB 3.18Å; R1952-Q1955 PolarHBondContact O-N 3.12Å; R1952-L1956 HydrophobicContact CG-CD1 4.12Å; R1952-L1956 WeakPolarHBondContact O-CB 3.22Å; R1952-L1956 WeakPolarHBondContact O-CG 3.35Å; R1952-L1956 PolarHBondContact O-N 3.42Å; R1952-E1959 IonicContact CZ-OE1 3.7Å; R1952-E1959 IonicContact NH1-OE1 2.75Å; R1952-E1959 PolarHBondContact NH1-OE1 3.04Å; R1952-E1959 IonicContact NH2-OE1 3.68Å; R1952-R2015 VanDerWaalsContact CD-CZ 3.49Å |
| 1953 | L | 86.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 174.9 | -179.4 | 72.6 | 0 | 0 | 0 | 110.7 | V1818 L1825 S1949 I1950 Q1955 L1956 M1957 | V1818-L1953 HydrophobicContact CG1-CB 4.43Å; V1818-L1953 HydrophobicContact CG1-CD2 4.37Å; L1825-L1953 HydrophobicContact CD1-CD1 3.79Å; S1949-L1953 PolarHBondContact O-N 3.35Å; I1950-L1953 WeakPolarHBondContact O-CB 3.39Å; I1950-L1953 PolarHBondContact O-N 3.42Å; L1953-Q1955 VanDerWaalsContact C-N 3.33Å; L1953-Q1955 PolarHBondContact O-N 3.27Å; L1953-L1956 PolarHBondContact O-N 3.36Å; L1953-M1957 WeakPolarHBondContact O-CG 3.44Å; L1953-M1957 PolarHBondContact O-N 3.48Å |
| 1954 | L | 87 | Confident | 81.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 179.4 | -66.4 | 178 | 0 | 0 | 0 | 112.7 | L1850 I1950 L1951 M1957 C1958 L1969 L1980 Y2023 | L1850-L1954 HydrophobicContact CD1-CD2 3.89Å; L1850-L1954 HydrophobicContact CD1-CG 4.46Å; I1950-L1954 HydrophobicContact CG2-CD1 4.11Å; I1950-L1954 HydrophobicContact CG2-CG 4.42Å; I1950-L1954 WeakPolarHBondContact O-CG 3.23Å; I1950-L1954 PolarHBondContact O-N 2.84Å; L1951-L1954 PolarHBondContact O-N 3.23Å; L1954-M1957 HydrophobicContact CD2-SD 4.36Å; L1954-M1957 PolarHBondContact O-N 2.98Å; L1954-C1958 PolarHBondContact O-N 3.36Å; L1954-C1958 PolarHBondContact O-SG 3.14Å; L1954-C1958 VanDerWaalsContact O-SG 3.36Å; L1954-L1969 HydrophobicContact CD2-CD2 3.82Å; L1954-L1980 HydrophobicContact CD1-CD1 4.35Å; L1954-L1980 HydrophobicContact CD2-CD1 4.27Å; L1954-Y2023 HydrophobicContact CB-CE1 4.07Å; L1954-Y2023 WeakPolarHBondContact CB-OH 3.41Å; L1954-Y2023 WeakPolarHBondContact CD1-OH 3.31Å |
| 1955 | Q | 85.8 | Confident | 81.6 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -52.1 | 174 | -173.8 | -165.8 | -12.9 | 0 | 0 | 110.3 | L1951 R1952 L1953 M1957 C1958 E1959 I2018 E2022 | L1951-Q1955 WeakPolarHBondContact O-CB 3.38Å; L1951-Q1955 PolarHBondContact O-N 2.83Å; R1952-Q1955 VanDerWaalsContact NH1-OE1 3.13Å; R1952-Q1955 WeakPolarHBondContact O-CB 3.18Å; R1952-Q1955 PolarHBondContact O-N 3.12Å; L1953-Q1955 VanDerWaalsContact C-N 3.33Å; L1953-Q1955 PolarHBondContact O-N 3.27Å; Q1955-M1957 PolarHBondContact O-N 3.14Å; Q1955-C1958 PolarHBondContact O-N 2.87Å; Q1955-E1959 PolarHBondContact O-N 3.33Å; Q1955-E1959 VanDerWaalsContact O-N 3.09Å; Q1955-I2018 HydrophobicContact CG-CG2 4.46Å; Q1955-E2022 HydrophobicContact CG-CB 4.24Å; Q1955-E2022 HydrophobicContact CG-CG 3.69Å |
| 1956 | L | 82.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -27.1 | 179.5 | -74.1 | 166.7 | 0 | 0 | 0 | 113.1 | K1822 L1825 E1826 R1952 L1953 C1958 | K1822-L1956 HydrophobicContact CB-CD1 4.49Å; K1822-L1956 HydrophobicContact CG-CD1 3.73Å; L1825-L1956 HydrophobicContact CB-CB 3.84Å; L1825-L1956 HydrophobicContact CB-CD1 4.18Å; L1825-L1956 HydrophobicContact CD1-CB 4.01Å; E1826-L1956 HydrophobicContact CG-CD1 4.24Å; R1952-L1956 HydrophobicContact CG-CD1 4.12Å; R1952-L1956 WeakPolarHBondContact O-CB 3.22Å; R1952-L1956 WeakPolarHBondContact O-CG 3.35Å; R1952-L1956 PolarHBondContact O-N 3.42Å; L1953-L1956 PolarHBondContact O-N 3.36Å; L1956-C1958 VanDerWaalsContact C-N 3.3Å |
| 1957 | M | 80.5 | Confident | 82 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19.2 | 174.6 | -67.7 | 176.9 | 76.1 | 0 | 0 | 113.5 | L1825 L1833 L1837 L1953 L1954 Q1955 M1965 | L1825-M1957 HydrophobicContact CD1-CG 3.54Å; L1833-M1957 HydrophobicContact CD2-CE 3.61Å; L1833-M1957 HydrophobicContact CD2-CG 4.08Å; L1833-M1957 HydrophobicContact CD2-SD 3.8Å; L1833-M1957 HydrophobicContact CG-CE 4.06Å; L1837-M1957 HydrophobicContact CD1-CE 3.71Å; L1953-M1957 WeakPolarHBondContact O-CG 3.44Å; L1953-M1957 PolarHBondContact O-N 3.48Å; L1954-M1957 HydrophobicContact CD2-SD 4.36Å; L1954-M1957 PolarHBondContact O-N 2.98Å; Q1955-M1957 PolarHBondContact O-N 3.14Å; M1957-M1965 HydrophobicContact CB-CG 3.99Å; M1957-M1965 HydrophobicContact CE-CE 3.24Å; M1957-M1965 HydrophobicContact CE-CG 4.36Å; M1957-M1965 HydrophobicContact CE-SD 3.54Å; M1957-M1965 VanDerWaalsContact CE-SD 3.54Å; M1957-M1965 VanDerWaalsContact O-CG 3.29Å; M1957-M1965 WeakPolarHBondContact O-CG 3.33Å; M1957-M1965 HydrophobicContact SD-CE 4.22Å |
| 1958 | C | 79.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -9.9 | -177.2 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | L1954 Q1955 L1956 H1961 Q1966 L1969 E2022 Y2023 | L1954-C1958 PolarHBondContact O-N 3.36Å; L1954-C1958 PolarHBondContact O-SG 3.14Å; L1954-C1958 VanDerWaalsContact O-SG 3.36Å; Q1955-C1958 PolarHBondContact O-N 2.87Å; L1956-C1958 VanDerWaalsContact C-N 3.3Å; C1958-H1961 PolarHBondContact O-N 2.97Å; C1958-Q1966 HydrophobicContact CB-CG 4.13Å; C1958-L1969 WeakPolarHBondContact SG-CD1 3.38Å; C1958-E2022 HydrophobicContact CB-CB 4.28Å; C1958-Y2023 HydrophobicContact CB-CD1 4.2Å |
| 1959 | E | 76.6 | Confident | 81.8 | Confident | 28 Ų | 28 | 26.5 Ų | 26.5 | 13% | 0.131 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -53 | 158.5 | 174.3 | -76.6 | 179.6 | -169.5 | 0 | 0 | 110.2 | E1830 R1952 Q1955 H1961 | E1830-E1959 VanDerWaalsContact OE2-O 3.04Å; R1952-E1959 IonicContact CZ-OE1 3.7Å; R1952-E1959 IonicContact NH1-OE1 2.75Å; R1952-E1959 PolarHBondContact NH1-OE1 3.04Å; R1952-E1959 IonicContact NH2-OE1 3.68Å; Q1955-E1959 PolarHBondContact O-N 3.33Å; Q1955-E1959 VanDerWaalsContact O-N 3.09Å; E1959-H1961 PolarHBondContact O-N 3.17Å; E1959-H1961 VanDerWaalsContact O-N 3.16Å |
| 1960 | N | 70.7 | Confident | 82 | Confident | 88 Ų | 88 | 27.4 Ų | 27.4 | 47% | 0.471 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | 60.5 | 19.2 | -174.9 | -56.9 | -57.5 | 0 | 0 | 0 | 116.3 | E1830 | E1830-N1960 PolarHBondContact OE1-ND2 2.75Š|
| 1961 | H | 71.7 | Confident | 81.6 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 13% | 0.13 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 59.9 | 44.5 | 177.3 | -44.8 | -55 | 0 | 0 | 0 | 114.4 | C1958 E1959 R1963 Q2025 F2574 S2579 | C1958-H1961 PolarHBondContact O-N 2.97Å; E1959-H1961 PolarHBondContact O-N 3.17Å; E1959-H1961 VanDerWaalsContact O-N 3.16Å; H1961-R1963 VanDerWaalsContact C-N 3.33Å; H1961-R1963 PolarHBondContact O-N 3.32Å; H1961-Q2025 PolarHBondContact ND1-O 2.72Å; H1961-F2574 PolarHBondContact CE1-O 2.89Å; H1961-F2574 PolarHBondContact NE2-O 3.31Å; H1961-S2579 PolarHBondContact CD2-OG 3.18Å; H1961-S2579 PolarHBondContact NE2-OG 3.38Å |
| 1962 | N | 75.7 | Confident | 81.1 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | trans | -67.4 | 87.5 | 175.5 | -171 | -23 | 0 | 0 | 0 | 111.5 | D1964 M1965 Q1966 | N1962-D1964 PolarHBondContact O-N 2.64Å; N1962-D1964 PolarHBondContact OD1-N 3.26Å; N1962-M1965 HydrophobicContact CB-CB 4.11Å; N1962-M1965 PolarHBondContact O-N 3.49Å; N1962-M1965 VanDerWaalsContact O-N 3.1Å; N1962-M1965 PolarHBondContact OD1-N 3.07Å; N1962-Q1966 WeakPolarHBondContact O-CG 3.49Å; N1962-Q1966 PolarHBondContact O-N 3.1Å | ||
| 1963 | R | 76 | Confident | 80 | Confident | 115 Ų | 115 | 37.8 Ų | 37.8 | 43% | 0.434 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.6 | -34.7 | -175.4 | -173.2 | 177.6 | -179 | -162.7 | -1 | 113.1 | H1961 N1967 P2027 E2030 | H1961-R1963 VanDerWaalsContact C-N 3.33Å; H1961-R1963 PolarHBondContact O-N 3.32Å; R1963-N1967 WeakPolarHBondContact O-CB 3.46Å; R1963-N1967 PolarHBondContact O-N 3.4Å; R1963-N1967 PolarHBondContact O-ND2 3.19Å; R1963-N1967 VanDerWaalsContact O-ND2 3.15Å; R1963-P2027 PolarHBondContact NE-O 3.46Å; R1963-E2030 IonicContact CZ-OE1 3.43Å; R1963-E2030 IonicContact NH2-OE1 2.91Å; R1963-E2030 PolarHBondContact NH2-OE1 2.83Å; R1963-E2030 IonicContact NH2-OE2 3.44Å |
| 1964 | D | 76.6 | Confident | 78.9 | Confident | 110 Ų | 110 | 41.3 Ų | 41.3 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.6 | -45 | 178.2 | -68.9 | -32.6 | 0 | 0 | 0 | 110.6 | L1834 N1962 F1968 | L1834-D1964 HydrophobicContact CD2-CB 4Å; N1962-D1964 PolarHBondContact O-N 2.64Å; N1962-D1964 PolarHBondContact OD1-N 3.26Å; D1964-F1968 WeakPolarHBondContact O-CB 3.45Å; D1964-F1968 PolarHBondContact O-N 2.65Å |
| 1965 | M | 81.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.8 | -42.1 | 178.4 | -168.2 | 60.9 | -140.8 | 0 | 0 | 112.5 | L1834 M1957 N1962 N1967 F1968 L1969 | L1834-M1965 HydrophobicContact CD1-SD 3.69Å; M1957-M1965 HydrophobicContact CB-CG 3.99Å; M1957-M1965 HydrophobicContact CE-CE 3.24Å; M1957-M1965 HydrophobicContact CE-CG 4.36Å; M1957-M1965 HydrophobicContact CE-SD 3.54Å; M1957-M1965 VanDerWaalsContact CE-SD 3.54Å; M1957-M1965 VanDerWaalsContact O-CG 3.29Å; M1957-M1965 WeakPolarHBondContact O-CG 3.33Å; M1957-M1965 HydrophobicContact SD-CE 4.22Å; N1962-M1965 HydrophobicContact CB-CB 4.11Å; N1962-M1965 PolarHBondContact O-N 3.49Å; N1962-M1965 VanDerWaalsContact O-N 3.1Å; N1962-M1965 PolarHBondContact OD1-N 3.07Å; M1965-N1967 VanDerWaalsContact C-N 3.34Å; M1965-N1967 PolarHBondContact O-N 2.85Å; M1965-F1968 HydrophobicContact CE-CD1 3.65Å; M1965-F1968 HydrophobicContact CE-CE1 4.35Å; M1965-F1968 WeakPolarHBondContact O-CB 3.43Å; M1965-F1968 PolarHBondContact O-N 3.28Å; M1965-F1968 VanDerWaalsContact O-N 3.15Å; M1965-F1968 HydrophobicContact SD-CD1 4.11Å; M1965-L1969 HydrophobicContact CE-CD2 3.36Å; M1965-L1969 HydrophobicContact CE-CG 3.75Å; M1965-L1969 WeakPolarHBondContact O-CG 3.36Å; M1965-L1969 PolarHBondContact O-N 3.06Å |
| 1966 | Q | 85.6 | Confident | 77 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 174.6 | -73.5 | 173.4 | -21.1 | 0 | 0 | 111.5 | C1958 N1962 E2022 Q2025 N2031 | C1958-Q1966 HydrophobicContact CB-CG 4.13Å; N1962-Q1966 WeakPolarHBondContact O-CG 3.49Å; N1962-Q1966 PolarHBondContact O-N 3.1Å; Q1966-E2022 PolarHBondContact NE2-O 3.37Å; Q1966-Q2025 PolarHBondContact NE2-O 3.21Å; Q1966-N2031 PolarHBondContact O-ND2 3.24Å |
| 1967 | N | 83.5 | Confident | 77 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 175.3 | -84.7 | -52.2 | 0 | 0 | 0 | 112.3 | R1963 M1965 L1969 R1970 T1971 | R1963-N1967 WeakPolarHBondContact O-CB 3.46Å; R1963-N1967 PolarHBondContact O-N 3.4Å; R1963-N1967 PolarHBondContact O-ND2 3.19Å; R1963-N1967 VanDerWaalsContact O-ND2 3.15Å; M1965-N1967 VanDerWaalsContact C-N 3.34Å; M1965-N1967 PolarHBondContact O-N 2.85Å; N1967-L1969 PolarHBondContact O-N 3.38Å; N1967-R1970 PolarHBondContact O-N 3.22Å; N1967-R1970 VanDerWaalsContact O-N 3.16Å; N1967-R1970 PolarHBondContact OD1-NH2 3.43Å; N1967-T1971 PolarHBondContact O-N 2.89Å |
| 1968 | F | 83.7 | Confident | 77.1 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 177.5 | -179.2 | -92.8 | 0 | 0 | 0 | 112.6 | L1837 D1964 M1965 R1970 Q1972 | L1837-F1968 HydrophobicContact CB-CZ 4.45Å; L1837-F1968 HydrophobicContact CD1-CE1 4.28Å; D1964-F1968 WeakPolarHBondContact O-CB 3.45Å; D1964-F1968 PolarHBondContact O-N 2.65Å; M1965-F1968 HydrophobicContact CE-CD1 3.65Å; M1965-F1968 HydrophobicContact CE-CE1 4.35Å; M1965-F1968 WeakPolarHBondContact O-CB 3.43Å; M1965-F1968 PolarHBondContact O-N 3.28Å; M1965-F1968 VanDerWaalsContact O-N 3.15Å; M1965-F1968 HydrophobicContact SD-CD1 4.11Å; F1968-R1970 PolarHBondContact O-N 3.5Å; F1968-Q1972 HydrophobicContact CD2-CG 4.31Å; F1968-Q1972 HydrophobicContact CE1-CG 4.18Å; F1968-Q1972 HydrophobicContact CE2-CB 4.18Å; F1968-Q1972 HydrophobicContact CE2-CG 3.88Å; F1968-Q1972 HydrophobicContact CZ-CB 4.49Å; F1968-Q1972 HydrophobicContact CZ-CG 3.8Å; F1968-Q1972 PolarHBondContact O-NE2 3Å |
| 1969 | L | 85.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -26.8 | 174.4 | -69 | -175 | 0 | 0 | 0 | 113.3 | L1954 C1958 M1965 N1967 Q1972 L1980 V1981 Y2023 | L1954-L1969 HydrophobicContact CD2-CD2 3.82Å; C1958-L1969 WeakPolarHBondContact SG-CD1 3.38Å; M1965-L1969 HydrophobicContact CE-CD2 3.36Å; M1965-L1969 HydrophobicContact CE-CG 3.75Å; M1965-L1969 WeakPolarHBondContact O-CG 3.36Å; M1965-L1969 PolarHBondContact O-N 3.06Å; N1967-L1969 PolarHBondContact O-N 3.38Å; L1969-Q1972 PolarHBondContact O-NE2 3.03Å; L1969-L1980 HydrophobicContact CB-CB 4.47Å; L1969-L1980 HydrophobicContact CD2-CD1 3.8Å; L1969-L1980 PolarHBondContact O-N 2.97Å; L1969-V1981 HydrophobicContact CB-CG2 4.23Å; L1969-Y2023 HydrophobicContact CD1-CD1 3.76Å; L1969-Y2023 HydrophobicContact CD1-CE1 3.58Å; L1969-Y2023 HydrophobicContact CD1-CG 4.4Å |
| 1970 | R | 86.3 | Confident | 78.2 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 18% | 0.181 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -91.9 | -44.2 | 177.6 | -177.1 | 179.7 | 53.7 | 127.6 | 12.7 | 112.5 | N1967 F1968 N1977 D1979 V1981 E2030 N2031 | N1967-R1970 PolarHBondContact O-N 3.22Å; N1967-R1970 VanDerWaalsContact O-N 3.16Å; N1967-R1970 PolarHBondContact OD1-NH2 3.43Å; F1968-R1970 PolarHBondContact O-N 3.5Å; R1970-N1977 PolarHBondContact O-ND2 2.82Å; R1970-N1977 PolarHBondContact O-OD1 3.3Å; R1970-N1977 VanDerWaalsContact O-OD1 3.11Å; R1970-D1979 WeakPolarHBondContact CG-OD2 3.47Å; R1970-V1981 HydrophobicContact CB-CG2 4.13Å; R1970-E2030 VanDerWaalsContact NH1-CB 3.27Å; R1970-E2030 PolarHBondContact NH1-O 3.24Å; R1970-N2031 WeakPolarHBondContact CB-OD1 3.45Å; R1970-N2031 WeakPolarHBondContact CD-OD1 3.13Å; R1970-N2031 PolarHBondContact NE-OD1 3.24Å |
| 1971 | T | 80.3 | Confident | 79.2 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | trans | -133.9 | 99.6 | -173 | -46.5 | 0 | 0 | 0 | 0 | 111 | N1967 N1977 | N1967-T1971 PolarHBondContact O-N 2.89Å; T1971-N1977 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 1972 | Q | 80.6 | Confident | 80 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | trans | -82.8 | 126.8 | 165.5 | -52.2 | 85.4 | 44.9 | 0 | 0 | 107.2 | F1968 L1969 N1974 N1977 Y1978 | F1968-Q1972 HydrophobicContact CD2-CG 4.31Å; F1968-Q1972 HydrophobicContact CE1-CG 4.18Å; F1968-Q1972 HydrophobicContact CE2-CB 4.18Å; F1968-Q1972 HydrophobicContact CE2-CG 3.88Å; F1968-Q1972 HydrophobicContact CZ-CB 4.49Å; F1968-Q1972 HydrophobicContact CZ-CG 3.8Å; F1968-Q1972 PolarHBondContact O-NE2 3Å; L1969-Q1972 PolarHBondContact O-NE2 3.03Å; Q1972-N1974 PolarHBondContact O-N 2.77Å; Q1972-N1977 PolarHBondContact N-OD1 3.47Å; Q1972-N1977 PolarHBondContact OE1-OD1 2.65Å; Q1972-N1977 VanDerWaalsContact OE1-OD1 3.1Å; Q1972-Y1978 PolarHBondContact NE2-O 2.98Å; Q1972-Y1978 PolarHBondContact OE1-O 3.33Å | ||
| 1973 | Q | 65.6 | Low | 80.6 | Confident | 198 Ų | 198 | 57.4 Ų | 57.4 | 93% | 0.925 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -66.6 | 37.2 | -169.5 | -61.7 | 179.6 | -4.1 | 0 | 0 | 115.6 | ||
| 1974 | N | 62.9 | Low | 81.3 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -121.7 | 179.3 | -174.1 | -79.1 | -1.7 | 0 | 0 | 0 | 112.5 | E1844 Q1972 T1976 | E1844-N1974 WeakPolarHBondContact OE2-CB 3.27Å; E1844-N1974 PolarHBondContact OE2-ND2 2.63Å; Q1972-N1974 PolarHBondContact O-N 2.77Å; N1974-T1976 PolarHBondContact O-N 2.7Å |
| 1975 | R | 64.4 | Low | 82 | Confident | 255 Ų | 255 | 46.8 Ų | 46.8 | 96% | 0.962 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -65 | -35.4 | -174.6 | -68.2 | -176.4 | 179.1 | -175.3 | 1 | 114.2 | ||
| 1976 | T | 68 | Low | 82.3 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 44% | 0.436 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -118 | 115.6 | -178.8 | 21.8 | 0 | 0 | 0 | 0 | 108.5 | E1844 N1974 | E1844-T1976 PolarHBondContact OE1-OG1 3.3Å; N1974-T1976 PolarHBondContact O-N 2.7Å |
| 1977 | N | 81.8 | Confident | 82.5 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 40% | 0.401 | 23% | 0.23 | S | C | . | . | trans | -101.6 | 128.3 | -176.1 | -173.3 | 33.8 | 0 | 0 | 0 | 110.6 | R1970 T1971 Q1972 | R1970-N1977 PolarHBondContact O-ND2 2.82Å; R1970-N1977 PolarHBondContact O-OD1 3.3Å; R1970-N1977 VanDerWaalsContact O-OD1 3.11Å; T1971-N1977 WeakPolarHBondContact CA-OD1 3.37Å; Q1972-N1977 PolarHBondContact N-OD1 3.47Å; Q1972-N1977 PolarHBondContact OE1-OD1 2.65Å; Q1972-N1977 VanDerWaalsContact OE1-OD1 3.1Å | ||
| 1978 | Y | 83.7 | Confident | 82.8 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | trans | -109.9 | 101.8 | 177.1 | -64.5 | -86.4 | 0 | 0 | 0 | 109.6 | E1844 R1848 H1851 Q1972 L1980 | E1844-Y1978 HydrophobicContact CG-CD2 4.22Å; E1844-Y1978 HydrophobicContact CG-CE2 4.04Å; R1848-Y1978 HydrophobicContact CB-CD1 4.35Å; R1848-Y1978 HydrophobicContact CB-CD2 4.03Å; R1848-Y1978 HydrophobicContact CB-CE1 4.08Å; R1848-Y1978 HydrophobicContact CB-CE2 3.76Å; R1848-Y1978 HydrophobicContact CB-CG 4.32Å; R1848-Y1978 WeakPolarHBondContact CD-OH 3.42Å; R1848-Y1978 HydrophobicContact CG-CD1 4.46Å; R1848-Y1978 HydrophobicContact CG-CE1 3.8Å; R1848-Y1978 HydrophobicContact CG-CE2 4.11Å; H1851-Y1978 HydrophobicContact CB-CD1 4.31Å; Q1972-Y1978 PolarHBondContact NE2-O 2.98Å; Q1972-Y1978 PolarHBondContact OE1-O 3.33Å; Y1978-L1980 PolarHBondContact O-N 3.43Å | ||
| 1979 | D | 89.1 | Confident | 82.8 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | trans | -81 | 102.1 | -177.9 | -166.8 | -30.6 | 0 | 0 | 0 | 111.2 | R1970 V1981 I1982 G1983 | R1970-D1979 WeakPolarHBondContact CG-OD2 3.47Å; D1979-V1981 WeakPolarHBondContact OD1-CA 3.3Å; D1979-V1981 WeakPolarHBondContact OD1-CB 3.28Å; D1979-V1981 PolarHBondContact OD1-N 3.19Å; D1979-I1982 HydrophobicContact CB-CB 4.33Å; D1979-I1982 PolarHBondContact OD1-N 3.08Å; D1979-I1982 WeakPolarHBondContact OD2-CD1 3.4Å; D1979-I1982 VanDerWaalsContact OD2-CG1 3.31Å; D1979-I1982 WeakPolarHBondContact OD2-CG1 3.33Å; D1979-G1983 PolarHBondContact O-N 3.33Å | ||
| 1980 | L | 90.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -78.4 | -21.1 | 177.1 | -66.3 | 175.8 | 0 | 0 | 0 | 112.5 | C1847 L1850 H1851 L1954 L1969 Y1978 T1984 | C1847-L1980 HydrophobicContact CB-CD1 4.19Å; L1850-L1980 HydrophobicContact CB-CD2 4.21Å; H1851-L1980 HydrophobicContact CB-CD2 3.89Å; L1954-L1980 HydrophobicContact CD1-CD1 4.35Å; L1954-L1980 HydrophobicContact CD2-CD1 4.27Å; L1969-L1980 HydrophobicContact CB-CB 4.47Å; L1969-L1980 HydrophobicContact CD2-CD1 3.8Å; L1969-L1980 PolarHBondContact O-N 2.97Å; Y1978-L1980 PolarHBondContact O-N 3.43Å; L1980-T1984 WeakPolarHBondContact O-CB 3.43Å; L1980-T1984 PolarHBondContact O-N 3.22Å; L1980-T1984 PolarHBondContact O-OG1 2.88Å |
| 1981 | V | 91 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.3 | -54.6 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | L1969 R1970 D1979 G1983 T1984 L1985 Y2023 I2035 | L1969-V1981 HydrophobicContact CB-CG2 4.23Å; R1970-V1981 HydrophobicContact CB-CG2 4.13Å; D1979-V1981 WeakPolarHBondContact OD1-CA 3.3Å; D1979-V1981 WeakPolarHBondContact OD1-CB 3.28Å; D1979-V1981 PolarHBondContact OD1-N 3.19Å; V1981-G1983 VanDerWaalsContact C-N 3.32Å; V1981-G1983 PolarHBondContact O-N 3.41Å; V1981-T1984 PolarHBondContact O-N 2.87Å; V1981-L1985 PolarHBondContact O-N 3.37Å; V1981-L1985 VanDerWaalsContact O-N 3.1Å; V1981-Y2023 HydrophobicContact CB-CD2 4.35Å; V1981-Y2023 HydrophobicContact CG1-CD2 4.27Å; V1981-Y2023 HydrophobicContact CG2-CD2 4.04Å; V1981-Y2023 HydrophobicContact CG2-CG 4.35Å; V1981-I2035 HydrophobicContact CG1-CD1 3.86Å; V1981-I2035 HydrophobicContact CG1-CG1 3.77Å |
| 1982 | I | 88.5 | Confident | 82.5 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 175.8 | -65.2 | 178.3 | 0 | 0 | 0 | 110.7 | D1979 T1984 L1985 T1986 H2038 | D1979-I1982 HydrophobicContact CB-CB 4.33Å; D1979-I1982 PolarHBondContact OD1-N 3.08Å; D1979-I1982 WeakPolarHBondContact OD2-CD1 3.4Å; D1979-I1982 VanDerWaalsContact OD2-CG1 3.31Å; D1979-I1982 WeakPolarHBondContact OD2-CG1 3.33Å; I1982-T1984 VanDerWaalsContact C-N 3.3Å; I1982-T1984 PolarHBondContact O-N 3.12Å; I1982-L1985 PolarHBondContact O-N 3.05Å; I1982-T1986 HydrophobicContact CG2-CG2 4.4Å; I1982-T1986 WeakPolarHBondContact O-CG2 3.33Å; I1982-T1986 PolarHBondContact O-N 3.38Å; I1982-T1986 PolarHBondContact O-OG1 3.47Å; I1982-H2038 VanDerWaalsContact CG2-NE2 3.28Å; I1982-H2038 WeakPolarHBondContact CG2-NE2 3.41Å |
| 1983 | G | 87.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.9 | -48 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q1858 D1979 V1981 L1985 T1986 F1987 | Q1858-G1983 PolarHBondContact NE2-O 3Å; D1979-G1983 PolarHBondContact O-N 3.33Å; V1981-G1983 VanDerWaalsContact C-N 3.32Å; V1981-G1983 PolarHBondContact O-N 3.41Å; G1983-L1985 PolarHBondContact O-N 2.67Å; G1983-T1986 PolarHBondContact O-N 3.03Å; G1983-T1986 PolarHBondContact O-OG1 3.23Å; G1983-F1987 PolarHBondContact O-N 3.05Å |
| 1984 | T | 92.6 | Very high | 82 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 179.1 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | M1854 L1951 L1980 V1981 I1982 T1986 F1987 L1988 A2016 L2020 Y2023 | M1854-T1984 WeakPolarHBondContact CE-OG1 3.33Å; L1951-T1984 HydrophobicContact CD2-CG2 3.69Å; L1980-T1984 WeakPolarHBondContact O-CB 3.43Å; L1980-T1984 PolarHBondContact O-N 3.22Å; L1980-T1984 PolarHBondContact O-OG1 2.88Å; V1981-T1984 PolarHBondContact O-N 2.87Å; I1982-T1984 VanDerWaalsContact C-N 3.3Å; I1982-T1984 PolarHBondContact O-N 3.12Å; T1984-T1986 PolarHBondContact O-N 3.4Å; T1984-F1987 WeakPolarHBondContact O-CB 3.19Å; T1984-F1987 PolarHBondContact O-N 2.91Å; T1984-L1988 PolarHBondContact O-N 2.76Å; T1984-A2016 HydrophobicContact CG2-CB 4.5Å; T1984-L2020 HydrophobicContact CG2-CD1 4.4Å; T1984-L2020 HydrophobicContact CG2-CD2 4.02Å; T1984-L2020 HydrophobicContact CG2-CG 3.88Å; T1984-Y2023 HydrophobicContact CG2-CE2 4.31Å |
| 1985 | L | 90.9 | Very high | 81.3 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.9 | -175.1 | 66.6 | 0 | 0 | 0 | 112.2 | V1981 I1982 G1983 F1987 L1988 D1989 L2020 I2035 H2038 | V1981-L1985 PolarHBondContact O-N 3.37Å; V1981-L1985 VanDerWaalsContact O-N 3.1Å; I1982-L1985 PolarHBondContact O-N 3.05Å; G1983-L1985 PolarHBondContact O-N 2.67Å; L1985-F1987 VanDerWaalsContact C-N 3.33Å; L1985-L1988 PolarHBondContact O-N 2.7Å; L1985-D1989 PolarHBondContact O-N 3.42Å; L1985-L2020 HydrophobicContact CB-CD2 4.36Å; L1985-L2020 HydrophobicContact CD1-CD1 4.15Å; L1985-I2035 HydrophobicContact CD1-CG2 4.34Å; L1985-I2035 HydrophobicContact CD2-CG2 4.21Å; L1985-H2038 HydrophobicContact CD2-CB 4.29Å |
| 1986 | T | 87.5 | Confident | 80.5 | Confident | 31 Ų | 31 | 22.3 Ų | 22.3 | 19% | 0.19 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.5 | -26.3 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | Q1858 I1982 G1983 T1984 D1989 T1990 | Q1858-T1986 PolarHBondContact NE2-OG1 3.14Å; I1982-T1986 HydrophobicContact CG2-CG2 4.4Å; I1982-T1986 WeakPolarHBondContact O-CG2 3.33Å; I1982-T1986 PolarHBondContact O-N 3.38Å; I1982-T1986 PolarHBondContact O-OG1 3.47Å; G1983-T1986 PolarHBondContact O-N 3.03Å; G1983-T1986 PolarHBondContact O-OG1 3.23Å; T1984-T1986 PolarHBondContact O-N 3.4Å; T1986-D1989 PolarHBondContact O-N 3.49Å; T1986-T1990 WeakPolarHBondContact O-CB 3.43Å; T1986-T1990 PolarHBondContact O-N 3Å; T1986-T1990 PolarHBondContact O-OG1 2.9Å |
| 1987 | F | 90.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.3 | -45.7 | 171.7 | 177.7 | -99.7 | 0 | 0 | 0 | 110.9 | M1854 A1857 Q1858 L1861 V1944 M1947 L1951 G1983 T1984 L1985 D1989 T1990 I1991 L2012 | M1854-F1987 HydrophobicContact CG-CB 4.09Å; M1854-F1987 HydrophobicContact CG-CD2 4.29Å; M1854-F1987 HydrophobicContact CG-CG 4.35Å; M1854-F1987 HydrophobicContact SD-CB 4.17Å; A1857-F1987 HydrophobicContact CB-CE2 3.99Å; Q1858-F1987 HydrophobicContact CG-CB 4.17Å; Q1858-F1987 HydrophobicContact CG-CD2 3.72Å; Q1858-F1987 HydrophobicContact CG-CG 4.44Å; Q1858-F1987 VanDerWaalsContact NE2-CA 3.34Å; L1861-F1987 HydrophobicContact CD1-CD2 4.48Å; L1861-F1987 HydrophobicContact CD1-CE2 3.7Å; L1861-F1987 HydrophobicContact CD1-CZ 4.1Å; V1944-F1987 HydrophobicContact CG1-CZ 4.26Å; M1947-F1987 HydrophobicContact CB-CZ 4.11Å; M1947-F1987 HydrophobicContact CG-CD1 4.44Å; M1947-F1987 HydrophobicContact CG-CD2 4.49Å; M1947-F1987 HydrophobicContact CG-CE1 3.99Å; M1947-F1987 HydrophobicContact CG-CE2 4.05Å; M1947-F1987 HydrophobicContact CG-CZ 3.78Å; L1951-F1987 HydrophobicContact CD1-CE1 4.48Å; G1983-F1987 PolarHBondContact O-N 3.05Å; T1984-F1987 WeakPolarHBondContact O-CB 3.19Å; T1984-F1987 PolarHBondContact O-N 2.91Å; L1985-F1987 VanDerWaalsContact C-N 3.33Å; F1987-D1989 VanDerWaalsContact C-N 3.27Å; F1987-D1989 PolarHBondContact O-N 3.06Å; F1987-T1990 PolarHBondContact O-N 3.4Å; F1987-T1990 VanDerWaalsContact O-N 3.09Å; F1987-I1991 HydrophobicContact CE1-CD1 4.32Å; F1987-I1991 HydrophobicContact CZ-CD1 4.28Å; F1987-I1991 PolarHBondContact O-N 3.15Å; F1987-L2012 HydrophobicContact CE1-CD1 4.47Å; F1987-L2012 HydrophobicContact CE1-CD2 4.25Å; F1987-L2012 HydrophobicContact CE1-CG 4.16Å; F1987-L2012 HydrophobicContact CZ-CD2 3.96Å; F1987-L2012 HydrophobicContact CZ-CG 4.37Å |
| 1988 | L | 88.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.5 | -42.3 | 172.1 | -177.9 | 65.1 | 0 | 0 | 0 | 111.4 | T1984 L1985 T1990 I1991 C1992 V2013 A2016 L2017 L2020 V2046 | T1984-L1988 PolarHBondContact O-N 2.76Å; L1985-L1988 PolarHBondContact O-N 2.7Å; L1988-T1990 VanDerWaalsContact C-N 3.3Å; L1988-T1990 PolarHBondContact O-N 2.8Å; L1988-I1991 HydrophobicContact CD1-CG2 4.35Å; L1988-I1991 WeakPolarHBondContact O-CG2 3.44Å; L1988-C1992 WeakPolarHBondContact O-CB 3.27Å; L1988-C1992 PolarHBondContact O-N 2.89Å; L1988-C1992 VanDerWaalsContact O-N 3.16Å; L1988-C1992 PolarHBondContact O-SG 3.43Å; L1988-V2013 HydrophobicContact CD1-CG1 4.02Å; L1988-A2016 HydrophobicContact CD1-CB 4.2Å; L1988-L2017 HydrophobicContact CD1-CD2 4.44Å; L1988-L2017 HydrophobicContact CD1-CG 4.36Å; L1988-L2017 HydrophobicContact CD2-CD2 3.64Å; L1988-L2017 HydrophobicContact CD2-CG 4.35Å; L1988-L2020 HydrophobicContact CD2-CD1 3.88Å; L1988-V2046 HydrophobicContact CD2-CG2 3.86Å |
| 1989 | D | 84.3 | Confident | 76.5 | Confident | 22 Ų | 22 | 22.5 Ų | 22.5 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 175.1 | -175.3 | 43.2 | 0 | 0 | 0 | 112.5 | L1985 T1986 F1987 S1994 I2045 | L1985-D1989 PolarHBondContact O-N 3.42Å; T1986-D1989 PolarHBondContact O-N 3.49Å; F1987-D1989 VanDerWaalsContact C-N 3.27Å; F1987-D1989 PolarHBondContact O-N 3.06Å; D1989-S1994 WeakPolarHBondContact O-CB 3.39Å; D1989-S1994 PolarHBondContact O-N 3.1Å; D1989-S1994 VanDerWaalsContact O-N 3.17Å; D1989-S1994 WeakPolarHBondContact OD1-CB 3.41Å; D1989-S1994 PolarHBondContact OD1-OG 2.91Å; D1989-I2045 VanDerWaalsContact CA-CD1 3.43Å; D1989-I2045 HydrophobicContact CB-CD1 3.98Å; D1989-I2045 WeakPolarHBondContact OD1-CD1 3.5Å |
| 1990 | T | 83.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.7 | -43 | -178.2 | -55 | 0 | 0 | 0 | 0 | 112.6 | Q1858 L1861 R1862 T1986 F1987 L1988 C1992 G1993 | Q1858-T1990 HydrophobicContact CB-CG2 4.29Å; L1861-T1990 HydrophobicContact CB-CG2 3.93Å; R1862-T1990 HydrophobicContact CG-CG2 3.62Å; R1862-T1990 PolarHBondContact NH2-OG1 3.4Å; T1986-T1990 WeakPolarHBondContact O-CB 3.43Å; T1986-T1990 PolarHBondContact O-N 3Å; T1986-T1990 PolarHBondContact O-OG1 2.9Å; F1987-T1990 PolarHBondContact O-N 3.4Å; F1987-T1990 VanDerWaalsContact O-N 3.09Å; L1988-T1990 VanDerWaalsContact C-N 3.3Å; L1988-T1990 PolarHBondContact O-N 2.8Å; T1990-C1992 VanDerWaalsContact C-N 3.35Å; T1990-G1993 PolarHBondContact O-N 3.01Å |
| 1991 | I | 83.2 | Confident | 72.9 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.1 | -30.9 | -178.6 | -164.6 | 171 | 0 | 0 | 0 | 112.3 | L1861 M1865 F1987 L1988 G1993 N2009 L2012 V2013 | L1861-I1991 HydrophobicContact CD1-CB 4.04Å; L1861-I1991 HydrophobicContact CD1-CG1 4.18Å; M1865-I1991 WeakPolarHBondContact CE-O 3.22Å; F1987-I1991 HydrophobicContact CE1-CD1 4.32Å; F1987-I1991 HydrophobicContact CZ-CD1 4.28Å; F1987-I1991 PolarHBondContact O-N 3.15Å; L1988-I1991 HydrophobicContact CD1-CG2 4.35Å; L1988-I1991 WeakPolarHBondContact O-CG2 3.44Å; I1991-G1993 PolarHBondContact O-N 3.19Å; I1991-N2009 HydrophobicContact CD1-CB 4.49Å; I1991-L2012 HydrophobicContact CD1-CB 4.06Å; I1991-L2012 HydrophobicContact CD1-CD2 3.63Å; I1991-L2012 HydrophobicContact CD1-CG 3.81Å; I1991-V2013 HydrophobicContact CD1-CG2 4.27Å; I1991-V2013 HydrophobicContact CG1-CG2 4.42Å; I1991-V2013 HydrophobicContact CG2-CG2 4.03Å |
| 1992 | C | 79.1 | Confident | 71.3 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 2.2 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | L1988 T1990 I2045 | L1988-C1992 WeakPolarHBondContact O-CB 3.27Å; L1988-C1992 PolarHBondContact O-N 2.89Å; L1988-C1992 VanDerWaalsContact O-N 3.16Å; L1988-C1992 PolarHBondContact O-SG 3.43Å; T1990-C1992 VanDerWaalsContact C-N 3.35Å; C1992-I2045 HydrophobicContact CB-CD1 4.15Å; C1992-I2045 HydrophobicContact CB-CG2 3.82Å |
| 1993 | G | 70.8 | Confident | 70 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | 15.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117 | T1990 I1991 T1995 | T1990-G1993 PolarHBondContact O-N 3.01Å; I1991-G1993 PolarHBondContact O-N 3.19Å; G1993-T1995 PolarHBondContact O-N 2.9Å |
| 1994 | S | 65.1 | Low | 69.1 | Low | 7 Ų | 7 | 31.3 Ų | 31.3 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | trans | -80.5 | 105.1 | 170.3 | -77 | 0 | 0 | 0 | 0 | 110.5 | D1989 G2000 I2045 | D1989-S1994 WeakPolarHBondContact O-CB 3.39Å; D1989-S1994 PolarHBondContact O-N 3.1Å; D1989-S1994 VanDerWaalsContact O-N 3.17Å; D1989-S1994 WeakPolarHBondContact OD1-CB 3.41Å; D1989-S1994 PolarHBondContact OD1-OG 2.91Å; S1994-G2000 WeakPolarHBondContact OG-CA 3.38Å; S1994-G2000 PolarHBondContact OG-N 3.04Å; S1994-I2045 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 1995 | T | 48.4 | Very low | 68 | Low | 44 Ų | 44 | 31.3 Ų | 31.3 | 27% | 0.27 | 20% | 0.199 | S | C | . | . | trans | -120.3 | 9.7 | 177.5 | 43.1 | 0 | 0 | 0 | 0 | 114.6 | R1862 G1993 | R1862-T1995 HydrophobicContact CG-CG2 4Å; G1993-T1995 PolarHBondContact O-N 2.9Å | ||
| 1996 | S | 46 | Very low | 67.1 | Low | 74 Ų | 74 | 32.9 Ų | 32.9 | 52% | 0.517 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -159.4 | 39.2 | -175.9 | 56.6 | 0 | 0 | 0 | 0 | 115.5 | R1869 S1998 | R1869-S1996 PolarHBondContact NH1-OG 3.49Å; S1996-S1998 PolarHBondContact O-N 2.95Å |
| 1997 | G | 47.7 | Very low | 66.4 | Low | 65 Ų | 65 | 35.1 Ų | 35.1 | 67% | 0.67 | 22% | 0.216 | S | C | * | . | S | Bend | trans | 70.6 | -3.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N2041 | G1997-N2041 WeakPolarHBondContact CA-ND2 3.37Å; G1997-N2041 PolarHBondContact O-ND2 3.36Å |
| 1998 | S | 51.6 | Low | 65.5 | Low | 57 Ų | 57 | 39.7 Ų | 39.7 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -99.9 | 137.9 | 171.7 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | S1996 G2000 | S1996-S1998 PolarHBondContact O-N 2.95Å; S1998-G2000 PolarHBondContact O-N 2.81Å |
| 1999 | L | 50.2 | Low | 65.1 | Low | 84 Ų | 84 | 40.2 Ų | 40.2 | 44% | 0.44 | 24% | 0.237 | S | C | . | . | trans | -38.3 | 112.4 | 173.4 | -127.4 | 86.1 | 0 | 0 | 0 | 110 | D2044 | L1999-D2044 HydrophobicContact CD1-CB 3.85Š| ||
| 2000 | G | 52.2 | Low | 65.1 | Low | 10 Ų | 10 | 39.2 Ų | 39.2 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -52.3 | 140.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1994 S1998 L2002 | S1994-G2000 WeakPolarHBondContact OG-CA 3.38Å; S1994-G2000 PolarHBondContact OG-N 3.04Å; S1998-G2000 PolarHBondContact O-N 2.81Å; G2000-L2002 PolarHBondContact O-N 3.27Å | ||
| 2001 | L | 52.3 | Low | 65.1 | Low | 98 Ų | 98 | 43.3 Ų | 43.3 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | trans | -64.8 | 108.1 | 170.8 | -77.1 | 98.5 | 0 | 0 | 0 | 107.8 | N2003 E2004 | L2001-N2003 HydrophobicContact CB-CB 4.33Å; L2001-N2003 PolarHBondContact O-N 3.45Å; L2001-E2004 PolarHBondContact O-N 3.26Å | ||
| 2002 | L | 57.5 | Low | 65.2 | Low | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -52.1 | -12.3 | 172.4 | -67.9 | 172.8 | 0 | 0 | 0 | 113.9 | G2000 E2004 I2005 S2048 L2049 N2052 | G2000-L2002 PolarHBondContact O-N 3.27Å; L2002-E2004 PolarHBondContact O-N 3.1Å; L2002-I2005 HydrophobicContact CD2-CD1 4.23Å; L2002-I2005 PolarHBondContact O-N 3.25Å; L2002-S2048 WeakPolarHBondContact CD1-OG 3.4Å; L2002-L2049 HydrophobicContact CD2-CD2 3.59Å; L2002-L2049 HydrophobicContact CD2-CG 4.2Å; L2002-N2052 HydrophobicContact CD1-CB 3.65Å |
| 2003 | N | 61.2 | Low | 65.6 | Low | 90 Ų | 90 | 43.5 Ų | 43.5 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -62 | -13.8 | 176.5 | -63.2 | -6.2 | 0 | 0 | 0 | 115.3 | L2001 K2055 | L2001-N2003 HydrophobicContact CB-CB 4.33Å; L2001-N2003 PolarHBondContact O-N 3.45Å; N2003-K2055 VanDerWaalsContact CA-O 3.31Å; N2003-K2055 WeakPolarHBondContact CA-O 3.23Å; N2003-K2055 PolarHBondContact OD1-O 3.18Å |
| 2004 | E | 67.2 | Low | 66.5 | Low | 38 Ų | 38 | 43.2 Ų | 43.2 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -82.4 | -12.2 | 175.7 | -69.7 | -75.2 | 152.1 | 0 | 0 | 112.6 | M1865 R1868 L2001 L2002 N2006 N2009 | M1865-E2004 HydrophobicContact CE-CB 4.03Å; M1865-E2004 HydrophobicContact CE-CG 4.01Å; M1865-E2004 HydrophobicContact SD-CG 3.84Å; R1868-E2004 IonicContact NH1-OE2 2.84Å; R1868-E2004 PolarHBondContact NH1-OE2 3.41Å; L2001-E2004 PolarHBondContact O-N 3.26Å; L2002-E2004 PolarHBondContact O-N 3.1Å; E2004-N2006 PolarHBondContact O-N 3.15Å; E2004-N2009 PolarHBondContact O-ND2 3.42Å |
| 2005 | I | 70.1 | Confident | 67.6 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -78.4 | 119.6 | 178 | -55.9 | 177.1 | 0 | 0 | 0 | 109.7 | L2002 N2009 V2010 L2049 I2054 L2057 | L2002-I2005 HydrophobicContact CD2-CD1 4.23Å; L2002-I2005 PolarHBondContact O-N 3.25Å; I2005-N2009 WeakPolarHBondContact CA-OD1 3.13Å; I2005-V2010 HydrophobicContact CG2-CG2 3.46Å; I2005-V2010 VanDerWaalsContact CG2-CG2 3.46Å; I2005-L2049 HydrophobicContact CD1-CD2 3.47Å; I2005-L2049 VanDerWaalsContact CD1-CD2 3.47Å; I2005-I2054 HydrophobicContact CB-CG2 3.98Å; I2005-I2054 HydrophobicContact CD1-CG2 4.18Å; I2005-I2054 HydrophobicContact CG2-CG2 4.1Å; I2005-L2057 HydrophobicContact CG2-CD2 4.07Å | ||
| 2006 | N | 73.2 | Confident | 69.6 | Low | 36 Ų | 36 | 44.6 Ų | 44.6 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | trans | -135.7 | 172 | -176.6 | 68.4 | 22.3 | 0 | 0 | 0 | 111 | E2004 Y2008 N2009 V2010 | E2004-N2006 PolarHBondContact O-N 3.15Å; N2006-Y2008 PolarHBondContact O-N 2.89Å; N2006-Y2008 PolarHBondContact OD1-N 3.36Å; N2006-Y2008 VanDerWaalsContact OD1-N 3.11Å; N2006-N2009 PolarHBondContact N-OD1 3.41Å; N2006-N2009 PolarHBondContact O-N 3.01Å; N2006-N2009 PolarHBondContact O-OD1 2.91Å; N2006-N2009 PolarHBondContact OD1-N 3.37Å; N2006-N2009 PolarHBondContact OD1-OD1 3.21Å; N2006-V2010 WeakPolarHBondContact O-CG2 3.33Å; N2006-V2010 PolarHBondContact O-N 2.95Å; N2006-V2010 VanDerWaalsContact O-N 3.14Å | ||
| 2007 | E | 71.6 | Confident | 71.8 | Confident | 78 Ų | 78 | 41 Ų | 41 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.2 | -176.1 | -67.6 | 173.8 | 165.3 | 0 | 0 | 114 | L2057 S2061 L2064 | E2007-L2057 HydrophobicContact CG-CD1 4Å; E2007-S2061 WeakPolarHBondContact OE1-CB 3.31Å; E2007-S2061 PolarHBondContact OE1-OG 2.93Å; E2007-L2064 HydrophobicContact CG-CD1 4.12Å |
| 2008 | Y | 72.2 | Confident | 73.8 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -28.6 | -177.6 | -55 | -69.9 | 0 | 0 | 0 | 113.8 | D1938 N2006 | D1938-Y2008 HydrophobicContact CB-CD2 3.9Å; D1938-Y2008 HydrophobicContact CB-CE2 4.02Å; N2006-Y2008 PolarHBondContact O-N 2.89Å; N2006-Y2008 PolarHBondContact OD1-N 3.36Å; N2006-Y2008 VanDerWaalsContact OD1-N 3.11Å |
| 2009 | N | 79.8 | Confident | 75.6 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -15.4 | 179.2 | 69 | 10.8 | 0 | 0 | 0 | 114.2 | L1940 I1991 E2004 I2005 N2006 S2011 L2012 V2013 | L1940-N2009 HydrophobicContact CD1-CB 4.43Å; L1940-N2009 HydrophobicContact CD2-CB 4.46Å; I1991-N2009 HydrophobicContact CD1-CB 4.49Å; E2004-N2009 PolarHBondContact O-ND2 3.42Å; I2005-N2009 WeakPolarHBondContact CA-OD1 3.13Å; N2006-N2009 PolarHBondContact N-OD1 3.41Å; N2006-N2009 PolarHBondContact O-N 3.01Å; N2006-N2009 PolarHBondContact O-OD1 2.91Å; N2006-N2009 PolarHBondContact OD1-N 3.37Å; N2006-N2009 PolarHBondContact OD1-OD1 3.21Å; N2009-S2011 VanDerWaalsContact C-N 3.3Å; N2009-S2011 PolarHBondContact O-N 3.35Å; N2009-L2012 PolarHBondContact O-N 3.44Å; N2009-L2012 VanDerWaalsContact O-N 3.09Å; N2009-V2013 WeakPolarHBondContact O-CG2 3.42Å; N2009-V2013 PolarHBondContact O-N 3.38Å |
| 2010 | V | 83.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.8 | -41.7 | -178.8 | 161.8 | 0 | 0 | 0 | 0 | 112.7 | I2005 N2006 L2012 V2013 N2014 L2057 L2064 V2068 | I2005-V2010 HydrophobicContact CG2-CG2 3.46Å; I2005-V2010 VanDerWaalsContact CG2-CG2 3.46Å; N2006-V2010 WeakPolarHBondContact O-CG2 3.33Å; N2006-V2010 PolarHBondContact O-N 2.95Å; N2006-V2010 VanDerWaalsContact O-N 3.14Å; V2010-L2012 VanDerWaalsContact C-N 3.26Å; V2010-L2012 PolarHBondContact O-N 3.08Å; V2010-V2013 PolarHBondContact O-N 3.45Å; V2010-N2014 WeakPolarHBondContact O-CB 3.33Å; V2010-N2014 PolarHBondContact O-N 3.33Å; V2010-L2057 HydrophobicContact CG2-CD1 3.76Å; V2010-L2057 HydrophobicContact CG2-CD2 3.41Å; V2010-L2057 VanDerWaalsContact CG2-CD2 3.41Å; V2010-L2057 HydrophobicContact CG2-CG 4.22Å; V2010-L2064 HydrophobicContact CG1-CB 4.19Å; V2010-L2064 HydrophobicContact CG1-CD2 3.95Å; V2010-V2068 HydrophobicContact CG1-CG2 3.85Å; V2010-V2068 HydrophobicContact CG2-CG2 4.41Å |
| 2011 | S | 83 | Confident | 79.3 | Confident | 87 Ų | 87 | 33.1 Ų | 33.1 | 61% | 0.608 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -59.8 | -38.3 | 179.5 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | N2009 R2015 | N2009-S2011 VanDerWaalsContact C-N 3.3Å; N2009-S2011 PolarHBondContact O-N 3.35Å; S2011-R2015 WeakPolarHBondContact O-CB 3.25Å; S2011-R2015 PolarHBondContact O-N 2.88Å |
| 2012 | L | 86.5 | Confident | 80.9 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.1 | -35.4 | 178 | -171.4 | 56.5 | 0 | 0 | 0 | 112.1 | L1940 V1944 M1947 L1951 F1987 I1991 N2009 V2010 R2015 A2016 | L1940-L2012 HydrophobicContact CD1-CD2 4.23Å; V1944-L2012 HydrophobicContact CG1-CD2 3.61Å; M1947-L2012 HydrophobicContact CB-CD1 4.46Å; L1951-L2012 HydrophobicContact CD1-CD1 4.08Å; F1987-L2012 HydrophobicContact CE1-CD1 4.47Å; F1987-L2012 HydrophobicContact CE1-CD2 4.25Å; F1987-L2012 HydrophobicContact CE1-CG 4.16Å; F1987-L2012 HydrophobicContact CZ-CD2 3.96Å; F1987-L2012 HydrophobicContact CZ-CG 4.37Å; I1991-L2012 HydrophobicContact CD1-CB 4.06Å; I1991-L2012 HydrophobicContact CD1-CD2 3.63Å; I1991-L2012 HydrophobicContact CD1-CG 3.81Å; N2009-L2012 PolarHBondContact O-N 3.44Å; N2009-L2012 VanDerWaalsContact O-N 3.09Å; V2010-L2012 VanDerWaalsContact C-N 3.26Å; V2010-L2012 PolarHBondContact O-N 3.08Å; L2012-R2015 PolarHBondContact O-N 2.92Å; L2012-A2016 WeakPolarHBondContact O-CB 3.47Å; L2012-A2016 PolarHBondContact O-N 2.97Å |
| 2013 | V | 87.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63 | -49.3 | 172 | 174 | 0 | 0 | 0 | 0 | 110.5 | L1988 I1991 N2009 V2010 R2015 A2016 L2017 V2068 | L1988-V2013 HydrophobicContact CD1-CG1 4.02Å; I1991-V2013 HydrophobicContact CD1-CG2 4.27Å; I1991-V2013 HydrophobicContact CG1-CG2 4.42Å; I1991-V2013 HydrophobicContact CG2-CG2 4.03Å; N2009-V2013 WeakPolarHBondContact O-CG2 3.42Å; N2009-V2013 PolarHBondContact O-N 3.38Å; V2010-V2013 PolarHBondContact O-N 3.45Å; V2013-R2015 VanDerWaalsContact C-N 3.34Å; V2013-R2015 PolarHBondContact O-N 3.43Å; V2013-A2016 PolarHBondContact O-N 2.98Å; V2013-L2017 HydrophobicContact CG1-CD1 4.11Å; V2013-L2017 WeakPolarHBondContact O-CG 3.41Å; V2013-L2017 PolarHBondContact O-N 2.74Å; V2013-V2068 HydrophobicContact CG1-CG1 4.49Å |
| 2014 | N | 88.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.2 | -80.6 | -20.9 | 0 | 0 | 0 | 110.9 | V2010 A2016 L2017 I2018 E2067 V2068 N2071 | V2010-N2014 WeakPolarHBondContact O-CB 3.33Å; V2010-N2014 PolarHBondContact O-N 3.33Å; N2014-A2016 VanDerWaalsContact C-N 3.33Å; N2014-A2016 PolarHBondContact O-N 2.87Å; N2014-L2017 PolarHBondContact O-N 2.9Å; N2014-I2018 WeakPolarHBondContact O-CB 3.5Å; N2014-I2018 WeakPolarHBondContact O-CD1 3.4Å; N2014-I2018 WeakPolarHBondContact O-CG1 3.49Å; N2014-I2018 PolarHBondContact O-N 3.17Å; N2014-E2067 PolarHBondContact ND2-OE1 3.3Å; N2014-E2067 PolarHBondContact ND2-OE2 3.47Å; N2014-V2068 VanDerWaalsContact OD1-CA 3.24Å; N2014-V2068 WeakPolarHBondContact OD1-CA 3.33Å; N2014-V2068 VanDerWaalsContact OD1-CG2 3.23Å; N2014-V2068 WeakPolarHBondContact OD1-CG2 3.49Å; N2014-N2071 PolarHBondContact OD1-ND2 3.1Å |
| 2015 | R | 89.4 | Confident | 84.2 | Confident | 80 Ų | 80 | 23 Ų | 23 | 30% | 0.302 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59 | -43.3 | 176.6 | -172 | 69.8 | 96.1 | -162.5 | 2.7 | 112 | L1951 R1952 S2011 L2012 V2013 I2018 S2019 | L1951-R2015 HydrophobicContact CB-CG 3.74Å; L1951-R2015 HydrophobicContact CD1-CG 4.38Å; R1952-R2015 VanDerWaalsContact CD-CZ 3.49Å; S2011-R2015 WeakPolarHBondContact O-CB 3.25Å; S2011-R2015 PolarHBondContact O-N 2.88Å; L2012-R2015 PolarHBondContact O-N 2.92Å; V2013-R2015 VanDerWaalsContact C-N 3.34Å; V2013-R2015 PolarHBondContact O-N 3.43Å; R2015-I2018 PolarHBondContact O-N 3.38Å; R2015-S2019 WeakPolarHBondContact O-CB 3.47Å; R2015-S2019 PolarHBondContact O-N 3.26Å; R2015-S2019 PolarHBondContact O-OG 3.17Å |
| 2016 | A | 91.2 | Very high | 84 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1951 T1984 L1988 L2012 V2013 N2014 L2020 | L1951-A2016 HydrophobicContact CD1-CB 3.99Å; T1984-A2016 HydrophobicContact CG2-CB 4.5Å; L1988-A2016 HydrophobicContact CD1-CB 4.2Å; L2012-A2016 WeakPolarHBondContact O-CB 3.47Å; L2012-A2016 PolarHBondContact O-N 2.97Å; V2013-A2016 PolarHBondContact O-N 2.98Å; N2014-A2016 VanDerWaalsContact C-N 3.33Å; N2014-A2016 PolarHBondContact O-N 2.87Å; A2016-L2020 WeakPolarHBondContact O-CB 3.49Å; A2016-L2020 WeakPolarHBondContact O-CG 3.48Å; A2016-L2020 PolarHBondContact O-N 3.28Å |
| 2017 | L | 91.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.3 | -71.9 | 169.9 | 0 | 0 | 0 | 112 | L1988 V2013 N2014 L2020 T2021 V2046 L2049 V2068 N2071 A2072 L2075 | L1988-L2017 HydrophobicContact CD1-CD2 4.44Å; L1988-L2017 HydrophobicContact CD1-CG 4.36Å; L1988-L2017 HydrophobicContact CD2-CD2 3.64Å; L1988-L2017 HydrophobicContact CD2-CG 4.35Å; V2013-L2017 HydrophobicContact CG1-CD1 4.11Å; V2013-L2017 WeakPolarHBondContact O-CG 3.41Å; V2013-L2017 PolarHBondContact O-N 2.74Å; N2014-L2017 PolarHBondContact O-N 2.9Å; L2017-L2020 PolarHBondContact O-N 3.04Å; L2017-T2021 WeakPolarHBondContact O-CB 3.35Å; L2017-T2021 PolarHBondContact O-N 3.13Å; L2017-T2021 PolarHBondContact O-OG1 3.47Å; L2017-V2046 HydrophobicContact CD2-CG2 4.13Å; L2017-L2049 HydrophobicContact CD1-CD1 4.38Å; L2017-V2068 HydrophobicContact CD1-CG1 4.21Å; L2017-N2071 HydrophobicContact CB-CB 3.96Å; L2017-N2071 HydrophobicContact CD1-CB 4.08Å; L2017-A2072 HydrophobicContact CD1-CB 4.26Å; L2017-A2072 HydrophobicContact CD2-CB 4.4Å; L2017-L2075 HydrophobicContact CD2-CD2 3.89Å |
| 2018 | I | 89 | Confident | 84 | Confident | 39 Ų | 39 | 20.6 Ų | 20.6 | 20% | 0.2 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 177.9 | -64.5 | 163.4 | 0 | 0 | 0 | 109.8 | Q1955 N2014 R2015 L2020 T2021 E2022 N2071 | Q1955-I2018 HydrophobicContact CG-CG2 4.46Å; N2014-I2018 WeakPolarHBondContact O-CB 3.5Å; N2014-I2018 WeakPolarHBondContact O-CD1 3.4Å; N2014-I2018 WeakPolarHBondContact O-CG1 3.49Å; N2014-I2018 PolarHBondContact O-N 3.17Å; R2015-I2018 PolarHBondContact O-N 3.38Å; I2018-L2020 VanDerWaalsContact C-N 3.34Å; I2018-L2020 PolarHBondContact O-N 3.12Å; I2018-T2021 WeakPolarHBondContact O-CA 3.29Å; I2018-T2021 VanDerWaalsContact O-CB 3.31Å; I2018-T2021 WeakPolarHBondContact O-CB 3.34Å; I2018-T2021 PolarHBondContact O-N 3.05Å; I2018-T2021 VanDerWaalsContact O-N 3.08Å; I2018-E2022 PolarHBondContact O-N 3.09Å; I2018-N2071 HydrophobicContact CG1-CB 4.49Å |
| 2019 | S | 91.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -44.4 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L1951 R2015 T2021 E2022 Y2023 | L1951-S2019 PolarHBondContact O-OG 3.06Å; R2015-S2019 WeakPolarHBondContact O-CB 3.47Å; R2015-S2019 PolarHBondContact O-N 3.26Å; R2015-S2019 PolarHBondContact O-OG 3.17Å; S2019-T2021 VanDerWaalsContact C-N 3.29Å; S2019-T2021 PolarHBondContact O-N 3.4Å; S2019-E2022 PolarHBondContact O-N 3.49Å; S2019-Y2023 WeakPolarHBondContact O-CD1 3.29Å; S2019-Y2023 WeakPolarHBondContact O-CD2 3.38Å; S2019-Y2023 WeakPolarHBondContact O-CE1 3.36Å; S2019-Y2023 PolarHBondContact O-N 3.35Å |
| 2020 | L | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -36.8 | 175.9 | -75.7 | 169.5 | 0 | 0 | 0 | 112.2 | T1984 L1985 L1988 A2016 L2017 I2018 Y2023 C2024 I2035 L2075 | T1984-L2020 HydrophobicContact CG2-CD1 4.4Å; T1984-L2020 HydrophobicContact CG2-CD2 4.02Å; T1984-L2020 HydrophobicContact CG2-CG 3.88Å; L1985-L2020 HydrophobicContact CB-CD2 4.36Å; L1985-L2020 HydrophobicContact CD1-CD1 4.15Å; L1988-L2020 HydrophobicContact CD2-CD1 3.88Å; A2016-L2020 WeakPolarHBondContact O-CB 3.49Å; A2016-L2020 WeakPolarHBondContact O-CG 3.48Å; A2016-L2020 PolarHBondContact O-N 3.28Å; L2017-L2020 PolarHBondContact O-N 3.04Å; I2018-L2020 VanDerWaalsContact C-N 3.34Å; I2018-L2020 PolarHBondContact O-N 3.12Å; L2020-Y2023 HydrophobicContact CD2-CD2 4.21Å; L2020-Y2023 PolarHBondContact O-N 3.2Å; L2020-C2024 PolarHBondContact O-N 3.21Å; L2020-C2024 PolarHBondContact O-SG 2.82Å; L2020-I2035 HydrophobicContact CD2-CD1 4.29Å; L2020-L2075 HydrophobicContact CB-CD1 3.79Å; L2020-L2075 HydrophobicContact CB-CD2 3.97Å; L2020-L2075 HydrophobicContact CD1-CD2 4.12Å |
| 2021 | T | 87.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 21.5 Ų | 21.5 | 7% | 0.067 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.5 | -53.6 | 174.6 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | L2017 I2018 S2019 Y2023 C2024 Q2025 L2075 A2078 | L2017-T2021 WeakPolarHBondContact O-CB 3.35Å; L2017-T2021 PolarHBondContact O-N 3.13Å; L2017-T2021 PolarHBondContact O-OG1 3.47Å; I2018-T2021 WeakPolarHBondContact O-CA 3.29Å; I2018-T2021 VanDerWaalsContact O-CB 3.31Å; I2018-T2021 WeakPolarHBondContact O-CB 3.34Å; I2018-T2021 PolarHBondContact O-N 3.05Å; I2018-T2021 VanDerWaalsContact O-N 3.08Å; S2019-T2021 VanDerWaalsContact C-N 3.29Å; S2019-T2021 PolarHBondContact O-N 3.4Å; T2021-Y2023 VanDerWaalsContact C-N 3.29Å; T2021-Y2023 PolarHBondContact O-N 3.43Å; T2021-C2024 PolarHBondContact O-N 2.84Å; T2021-C2024 VanDerWaalsContact O-N 3.1Å; T2021-C2024 PolarHBondContact O-SG 2.83Å; T2021-Q2025 WeakPolarHBondContact O-CB 3.08Å; T2021-Q2025 PolarHBondContact O-N 3.27Å; T2021-L2075 WeakPolarHBondContact OG1-CA 3.42Å; T2021-L2075 WeakPolarHBondContact OG1-CB 3.44Å; T2021-A2078 HydrophobicContact CG2-CB 4.14Å |
| 2022 | E | 86.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 17.4 Ų | 17.4 | 8% | 0.084 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.8 | -30.8 | 177.9 | -64.8 | -55.9 | 148.8 | 0 | 0 | 114.1 | Q1955 C1958 Q1966 I2018 S2019 C2024 | Q1955-E2022 HydrophobicContact CG-CB 4.24Å; Q1955-E2022 HydrophobicContact CG-CG 3.69Å; C1958-E2022 HydrophobicContact CB-CB 4.28Å; Q1966-E2022 PolarHBondContact NE2-O 3.37Å; I2018-E2022 PolarHBondContact O-N 3.09Å; S2019-E2022 PolarHBondContact O-N 3.49Å; E2022-C2024 VanDerWaalsContact C-N 3.27Å; E2022-C2024 PolarHBondContact O-N 3.39Å |
| 2023 | Y | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.4 | -26.9 | 177.3 | -64.3 | -12.4 | 0 | 0 | 0 | 113.2 | L1954 C1958 L1969 V1981 T1984 S2019 L2020 T2021 N2031 | L1954-Y2023 HydrophobicContact CB-CE1 4.07Å; L1954-Y2023 WeakPolarHBondContact CB-OH 3.41Å; L1954-Y2023 WeakPolarHBondContact CD1-OH 3.31Å; C1958-Y2023 HydrophobicContact CB-CD1 4.2Å; L1969-Y2023 HydrophobicContact CD1-CD1 3.76Å; L1969-Y2023 HydrophobicContact CD1-CE1 3.58Å; L1969-Y2023 HydrophobicContact CD1-CG 4.4Å; V1981-Y2023 HydrophobicContact CB-CD2 4.35Å; V1981-Y2023 HydrophobicContact CG1-CD2 4.27Å; V1981-Y2023 HydrophobicContact CG2-CD2 4.04Å; V1981-Y2023 HydrophobicContact CG2-CG 4.35Å; T1984-Y2023 HydrophobicContact CG2-CE2 4.31Å; S2019-Y2023 WeakPolarHBondContact O-CD1 3.29Å; S2019-Y2023 WeakPolarHBondContact O-CD2 3.38Å; S2019-Y2023 WeakPolarHBondContact O-CE1 3.36Å; S2019-Y2023 PolarHBondContact O-N 3.35Å; L2020-Y2023 HydrophobicContact CD2-CD2 4.21Å; L2020-Y2023 PolarHBondContact O-N 3.2Å; T2021-Y2023 VanDerWaalsContact C-N 3.29Å; T2021-Y2023 PolarHBondContact O-N 3.43Å; Y2023-N2031 PolarHBondContact O-ND2 3.44Å |
| 2024 | C | 84.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -119 | -10.7 | -173.6 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | L2020 T2021 E2022 N2031 Q2032 I2035 | L2020-C2024 PolarHBondContact O-N 3.21Å; L2020-C2024 PolarHBondContact O-SG 2.82Å; T2021-C2024 PolarHBondContact O-N 2.84Å; T2021-C2024 VanDerWaalsContact O-N 3.1Å; T2021-C2024 PolarHBondContact O-SG 2.83Å; E2022-C2024 VanDerWaalsContact C-N 3.27Å; E2022-C2024 PolarHBondContact O-N 3.39Å; C2024-N2031 HydrophobicContact CB-CB 4.15Å; C2024-Q2032 HydrophobicContact CB-CG 3.89Å; C2024-Q2032 WeakPolarHBondContact O-CG 3.47Å; C2024-Q2032 PolarHBondContact O-NE2 3.3Å; C2024-I2035 HydrophobicContact CB-CD1 3.92Å |
| 2025 | Q | 82.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 128.8 | 179.9 | -173.3 | 177 | -19.1 | 0 | 0 | 111.7 | H1961 Q1966 T2021 A2078 F2574 | H1961-Q2025 PolarHBondContact ND1-O 2.72Å; Q1966-Q2025 PolarHBondContact NE2-O 3.21Å; T2021-Q2025 WeakPolarHBondContact O-CB 3.08Å; T2021-Q2025 PolarHBondContact O-N 3.27Å; Q2025-A2078 HydrophobicContact CB-CB 4.35Å; Q2025-F2574 PolarHBondContact NE2-O 3.42Å |
| 2026 | G | 64.1 | Low | 84.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 143.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C2028 E2081 | G2026-C2028 PolarHBondContact O-N 3.15Å; G2026-E2081 PolarHBondContact N-OE2 3.1Å |
| 2027 | P | 65.9 | Low | 84.2 | Confident | 64 Ų | 64 | 21 Ų | 21 | 42% | 0.416 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | -57.4 | 70.5 | -119 | 35.2 | -37.6 | 0 | 0 | 0 | 115.5 | R1963 | R1963-P2027 PolarHBondContact NE-O 3.46Š| |
| 2028 | C | 79.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -114.7 | 69 | 177.5 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | G2026 E2030 N2031 Q2032 | G2026-C2028 PolarHBondContact O-N 3.15Å; C2028-E2030 PolarHBondContact O-N 3.21Å; C2028-E2030 VanDerWaalsContact O-N 3.12Å; C2028-N2031 HydrophobicContact CB-CB 4.45Å; C2028-N2031 PolarHBondContact O-N 3.1Å; C2028-N2031 VanDerWaalsContact O-N 3.16Å; C2028-Q2032 WeakPolarHBondContact O-CG 3.49Å; C2028-Q2032 PolarHBondContact O-N 3.48Å; C2028-Q2032 VanDerWaalsContact O-N 3.14Å | ||
| 2029 | H | 76.8 | Confident | 83.3 | Confident | 64 Ų | 64 | 30.4 Ų | 30.4 | 30% | 0.296 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -57.8 | -27.9 | -179.6 | -58.9 | -35.7 | 0 | 0 | 0 | 112.8 | Q2032 N2033 S2082 | H2029-Q2032 PolarHBondContact ND1-OE1 3.23Å; H2029-Q2032 PolarHBondContact O-N 3.18Å; H2029-N2033 VanDerWaalsContact O-CB 3.31Å; H2029-N2033 WeakPolarHBondContact O-CB 3.34Å; H2029-N2033 VanDerWaalsContact O-CG 3.25Å; H2029-N2033 PolarHBondContact O-N 2.99Å; H2029-S2082 VanDerWaalsContact CE1-CA 3.48Å; H2029-S2082 WeakPolarHBondContact CE1-CA 3.47Å; H2029-S2082 PolarHBondContact CE1-OG 3.46Å; H2029-S2082 VanDerWaalsContact CG-OG 3.29Å; H2029-S2082 WeakPolarHBondContact ND1-CB 3.29Å; H2029-S2082 PolarHBondContact ND1-OG 2.82Å |
| 2030 | E | 83.3 | Confident | 82.7 | Confident | 63 Ų | 63 | 31.4 Ų | 31.4 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.3 | -33.7 | -177.2 | -49.5 | 91 | 156.3 | 0 | 0 | 112 | R1963 R1970 C2028 A2034 | R1963-E2030 IonicContact CZ-OE1 3.43Å; R1963-E2030 IonicContact NH2-OE1 2.91Å; R1963-E2030 PolarHBondContact NH2-OE1 2.83Å; R1963-E2030 IonicContact NH2-OE2 3.44Å; R1970-E2030 VanDerWaalsContact NH1-CB 3.27Å; R1970-E2030 PolarHBondContact NH1-O 3.24Å; C2028-E2030 PolarHBondContact O-N 3.21Å; C2028-E2030 VanDerWaalsContact O-N 3.12Å; E2030-A2034 VanDerWaalsContact O-CB 3.31Å; E2030-A2034 WeakPolarHBondContact O-CB 3.23Å; E2030-A2034 PolarHBondContact O-N 3.28Å; E2030-A2034 VanDerWaalsContact O-N 3.14Å |
| 2031 | N | 88.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76 | -39.3 | 171.2 | -75.6 | 1.7 | 0 | 0 | 0 | 111.4 | Q1966 R1970 Y2023 C2024 C2028 A2034 I2035 | Q1966-N2031 PolarHBondContact O-ND2 3.24Å; R1970-N2031 WeakPolarHBondContact CB-OD1 3.45Å; R1970-N2031 WeakPolarHBondContact CD-OD1 3.13Å; R1970-N2031 PolarHBondContact NE-OD1 3.24Å; Y2023-N2031 PolarHBondContact O-ND2 3.44Å; C2024-N2031 HydrophobicContact CB-CB 4.15Å; C2028-N2031 HydrophobicContact CB-CB 4.45Å; C2028-N2031 PolarHBondContact O-N 3.1Å; C2028-N2031 VanDerWaalsContact O-N 3.16Å; N2031-A2034 PolarHBondContact O-N 3.06Å; N2031-I2035 WeakPolarHBondContact O-CG1 3.24Å; N2031-I2035 PolarHBondContact O-N 2.61Å |
| 2032 | Q | 88.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -50.5 | 175.2 | -65.6 | 166 | -4.4 | 0 | 0 | 111 | C2024 C2028 H2029 A2034 I2035 A2036 A2078 S2082 | C2024-Q2032 HydrophobicContact CB-CG 3.89Å; C2024-Q2032 WeakPolarHBondContact O-CG 3.47Å; C2024-Q2032 PolarHBondContact O-NE2 3.3Å; C2028-Q2032 WeakPolarHBondContact O-CG 3.49Å; C2028-Q2032 PolarHBondContact O-N 3.48Å; C2028-Q2032 VanDerWaalsContact O-N 3.14Å; H2029-Q2032 PolarHBondContact ND1-OE1 3.23Å; H2029-Q2032 PolarHBondContact O-N 3.18Å; Q2032-A2034 PolarHBondContact O-N 3.4Å; Q2032-I2035 PolarHBondContact O-N 2.95Å; Q2032-A2036 WeakPolarHBondContact O-CB 3.47Å; Q2032-A2036 PolarHBondContact O-N 3.21Å; Q2032-A2078 PolarHBondContact NE2-O 3.21Å; Q2032-S2082 VanDerWaalsContact OE1-CB 3.28Å |
| 2033 | N | 85.9 | Confident | 81.7 | Confident | 61 Ų | 61 | 31.9 Ų | 31.9 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.2 | -74 | -3.3 | 0 | 0 | 0 | 112.1 | H2029 I2035 A2036 M2037 N2088 | H2029-N2033 VanDerWaalsContact O-CB 3.31Å; H2029-N2033 WeakPolarHBondContact O-CB 3.34Å; H2029-N2033 VanDerWaalsContact O-CG 3.25Å; H2029-N2033 PolarHBondContact O-N 2.99Å; N2033-I2035 PolarHBondContact O-N 3.1Å; N2033-A2036 PolarHBondContact O-N 2.98Å; N2033-M2037 VanDerWaalsContact O-CB 3.23Å; N2033-M2037 WeakPolarHBondContact O-CB 3.47Å; N2033-M2037 WeakPolarHBondContact O-CG 3.43Å; N2033-M2037 PolarHBondContact O-N 2.82Å; N2033-N2088 PolarHBondContact OD1-ND2 2.96Å; N2033-N2088 PolarHBondContact OD1-OD1 3.36Å |
| 2034 | A | 85.6 | Confident | 81.4 | Confident | 20 Ų | 20 | 33 Ų | 33 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E2030 N2031 Q2032 H2038 | E2030-A2034 VanDerWaalsContact O-CB 3.31Å; E2030-A2034 WeakPolarHBondContact O-CB 3.23Å; E2030-A2034 PolarHBondContact O-N 3.28Å; E2030-A2034 VanDerWaalsContact O-N 3.14Å; N2031-A2034 PolarHBondContact O-N 3.06Å; Q2032-A2034 PolarHBondContact O-N 3.4Å; A2034-H2038 WeakPolarHBondContact O-CB 3.41Å; A2034-H2038 PolarHBondContact O-N 3.4Å |
| 2035 | I | 87.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -44.4 | 177.3 | -64.7 | 170 | 0 | 0 | 0 | 111 | V1981 L1985 L2020 C2024 N2031 Q2032 N2033 I2079 | V1981-I2035 HydrophobicContact CG1-CD1 3.86Å; V1981-I2035 HydrophobicContact CG1-CG1 3.77Å; L1985-I2035 HydrophobicContact CD1-CG2 4.34Å; L1985-I2035 HydrophobicContact CD2-CG2 4.21Å; L2020-I2035 HydrophobicContact CD2-CD1 4.29Å; C2024-I2035 HydrophobicContact CB-CD1 3.92Å; N2031-I2035 WeakPolarHBondContact O-CG1 3.24Å; N2031-I2035 PolarHBondContact O-N 2.61Å; Q2032-I2035 PolarHBondContact O-N 2.95Å; N2033-I2035 PolarHBondContact O-N 3.1Å; I2035-I2079 HydrophobicContact CB-CD1 4.49Å; I2035-I2079 HydrophobicContact CG2-CD1 3.66Å; I2035-I2079 HydrophobicContact CG2-CG1 4.25Å |
| 2036 | A | 84.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q2032 N2033 I2079 N2088 R2091 | Q2032-A2036 WeakPolarHBondContact O-CB 3.47Å; Q2032-A2036 PolarHBondContact O-N 3.21Å; N2033-A2036 PolarHBondContact O-N 2.98Å; A2036-I2079 HydrophobicContact CB-CG2 3.9Å; A2036-N2088 HydrophobicContact CB-CB 3.97Å; A2036-N2088 WeakPolarHBondContact CB-OD1 3.32Å; A2036-R2091 WeakPolarHBondContact O-CG 3.2Å |
| 2037 | M | 84.7 | Confident | 82.6 | Confident | 85 Ų | 85 | 32.8 Ų | 32.8 | 42% | 0.419 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -89.9 | -5.9 | -173.2 | -62.7 | -62 | 168.4 | 0 | 0 | 113.9 | N2033 D2087 N2088 R2091 | N2033-M2037 VanDerWaalsContact O-CB 3.23Å; N2033-M2037 WeakPolarHBondContact O-CB 3.47Å; N2033-M2037 WeakPolarHBondContact O-CG 3.43Å; N2033-M2037 PolarHBondContact O-N 2.82Å; M2037-D2087 VanDerWaalsContact CE-C 3.48Å; M2037-D2087 HydrophobicContact CE-CB 3.49Å; M2037-D2087 VanDerWaalsContact CE-CB 3.49Å; M2037-D2087 WeakPolarHBondContact CE-O 3.48Å; M2037-N2088 WeakPolarHBondContact CE-OD1 3.33Å; M2037-R2091 HydrophobicContact CE-CB 4.35Å |
| 2038 | H | 85 | Confident | 83.3 | Confident | 56 Ų | 56 | 30 Ų | 30 | 26% | 0.259 | 15% | 0.152 | S | C | . | . | trans | -61.9 | 149.9 | 177.5 | -166.1 | -108.9 | 0 | 0 | 0 | 112.2 | I1982 L1985 A2034 S2040 | I1982-H2038 VanDerWaalsContact CG2-NE2 3.28Å; I1982-H2038 WeakPolarHBondContact CG2-NE2 3.41Å; L1985-H2038 HydrophobicContact CD2-CB 4.29Å; A2034-H2038 WeakPolarHBondContact O-CB 3.41Å; A2034-H2038 PolarHBondContact O-N 3.4Å; H2038-S2040 PolarHBondContact CE1-OG 3.49Å; H2038-S2040 WeakPolarHBondContact ND1-CB 3.42Å; H2038-S2040 PolarHBondContact ND1-N 2.72Å; H2038-S2040 VanDerWaalsContact ND1-N 3.1Å; H2038-S2040 PolarHBondContact ND1-OG 3.29Å | ||
| 2039 | E | 77.7 | Confident | 83.6 | Confident | 179 Ų | 179 | 30 Ų | 30 | 84% | 0.836 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -83.7 | -10.1 | -177 | -64.2 | -172 | 164.4 | 0 | 0 | 113.7 | ||
| 2040 | S | 78.4 | Confident | 84 | Confident | 22 Ų | 22 | 27 Ų | 27 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -68.5 | 153.8 | 176.3 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | H2038 G2042 | H2038-S2040 PolarHBondContact CE1-OG 3.49Å; H2038-S2040 WeakPolarHBondContact ND1-CB 3.42Å; H2038-S2040 PolarHBondContact ND1-N 2.72Å; H2038-S2040 VanDerWaalsContact ND1-N 3.1Å; H2038-S2040 PolarHBondContact ND1-OG 3.29Å; S2040-G2042 PolarHBondContact O-N 3.09Å |
| 2041 | N | 77.8 | Confident | 84 | Confident | 33 Ų | 33 | 24.7 Ų | 24.7 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 6.9 | 174.3 | -68.5 | -8.9 | 0 | 0 | 0 | 113.1 | G1997 L2043 D2044 I2045 | G1997-N2041 WeakPolarHBondContact CA-ND2 3.37Å; G1997-N2041 PolarHBondContact O-ND2 3.36Å; N2041-L2043 PolarHBondContact O-N 2.87Å; N2041-D2044 WeakPolarHBondContact O-CB 3.19Å; N2041-D2044 PolarHBondContact O-N 3.48Å; N2041-D2044 VanDerWaalsContact O-N 3.09Å; N2041-I2045 PolarHBondContact O-N 3.2Å |
| 2042 | G | 81.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -45 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2040 D2044 I2045 V2046 | S2040-G2042 PolarHBondContact O-N 3.09Å; G2042-D2044 VanDerWaalsContact C-N 3.3Å; G2042-D2044 PolarHBondContact O-N 3.43Å; G2042-I2045 PolarHBondContact O-N 3.02Å; G2042-V2046 WeakPolarHBondContact O-CG2 3.21Å; G2042-V2046 PolarHBondContact O-N 2.98Å; G2042-V2046 VanDerWaalsContact O-N 3.1Å |
| 2043 | L | 84.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 175.7 | -174.1 | 67.4 | 0 | 0 | 0 | 111.9 | N2041 I2045 V2046 I2047 L2076 I2079 R2091 I2092 | N2041-L2043 PolarHBondContact O-N 2.87Å; L2043-I2045 VanDerWaalsContact C-N 3.31Å; L2043-I2045 PolarHBondContact O-N 3.44Å; L2043-V2046 PolarHBondContact O-N 3.2Å; L2043-I2047 HydrophobicContact CG-CD1 4.06Å; L2043-I2047 VanDerWaalsContact O-CG1 3.29Å; L2043-I2047 WeakPolarHBondContact O-CG1 3.37Å; L2043-I2047 PolarHBondContact O-N 3.39Å; L2043-L2076 HydrophobicContact CD1-CD2 3.92Å; L2043-I2079 HydrophobicContact CD1-CD1 4.02Å; L2043-R2091 HydrophobicContact CD2-CG 4.26Å; L2043-I2092 HydrophobicContact CD2-CG1 4.28Å |
| 2044 | D | 82 | Confident | 82 | Confident | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -34.2 | 178.1 | -69.6 | -33.8 | 0 | 0 | 0 | 112.2 | L1999 N2041 G2042 S2048 N2095 | L1999-D2044 HydrophobicContact CD1-CB 3.85Å; N2041-D2044 WeakPolarHBondContact O-CB 3.19Å; N2041-D2044 PolarHBondContact O-N 3.48Å; N2041-D2044 VanDerWaalsContact O-N 3.09Å; G2042-D2044 VanDerWaalsContact C-N 3.3Å; G2042-D2044 PolarHBondContact O-N 3.43Å; D2044-S2048 VanDerWaalsContact O-CB 3.25Å; D2044-S2048 WeakPolarHBondContact O-CB 3.29Å; D2044-S2048 PolarHBondContact O-N 3.04Å; D2044-N2095 WeakPolarHBondContact OD1-CB 3.43Å; D2044-N2095 VanDerWaalsContact OD1-CG 3.26Å; D2044-N2095 PolarHBondContact OD1-ND2 3.39Å |
| 2045 | I | 83 | Confident | 81 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -47.5 | 172 | -70.6 | 164.8 | 0 | 0 | 0 | 110.8 | D1989 C1992 S1994 N2041 G2042 L2043 I2047 S2048 L2049 | D1989-I2045 VanDerWaalsContact CA-CD1 3.43Å; D1989-I2045 HydrophobicContact CB-CD1 3.98Å; D1989-I2045 WeakPolarHBondContact OD1-CD1 3.5Å; C1992-I2045 HydrophobicContact CB-CD1 4.15Å; C1992-I2045 HydrophobicContact CB-CG2 3.82Å; S1994-I2045 WeakPolarHBondContact OG-CD1 3.44Å; N2041-I2045 PolarHBondContact O-N 3.2Å; G2042-I2045 PolarHBondContact O-N 3.02Å; L2043-I2045 VanDerWaalsContact C-N 3.31Å; L2043-I2045 PolarHBondContact O-N 3.44Å; I2045-I2047 VanDerWaalsContact C-N 3.27Å; I2045-I2047 PolarHBondContact O-N 3.49Å; I2045-S2048 CarbonylContact O-C 3.55Å; I2045-S2048 WeakPolarHBondContact O-CA 3.13Å; I2045-S2048 WeakPolarHBondContact O-CB 3.45Å; I2045-S2048 PolarHBondContact O-N 2.91Å; I2045-L2049 HydrophobicContact CG2-CD1 3.98Å; I2045-L2049 HydrophobicContact CG2-CG 4.17Å; I2045-L2049 WeakPolarHBondContact O-CG 3.45Å; I2045-L2049 PolarHBondContact O-N 2.91Å |
| 2046 | V | 86.5 | Confident | 79.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | L1988 L2017 G2042 L2043 S2048 L2049 V2050 A2072 L2075 L2076 | L1988-V2046 HydrophobicContact CD2-CG2 3.86Å; L2017-V2046 HydrophobicContact CD2-CG2 4.13Å; G2042-V2046 WeakPolarHBondContact O-CG2 3.21Å; G2042-V2046 PolarHBondContact O-N 2.98Å; G2042-V2046 VanDerWaalsContact O-N 3.1Å; L2043-V2046 PolarHBondContact O-N 3.2Å; V2046-S2048 PolarHBondContact O-N 3.39Å; V2046-L2049 PolarHBondContact O-N 3.49Å; V2046-V2050 PolarHBondContact O-N 3.27Å; V2046-A2072 HydrophobicContact CG1-CB 4.19Å; V2046-L2075 HydrophobicContact CG1-CD2 4.08Å; V2046-L2075 HydrophobicContact CG1-CG 4.46Å; V2046-L2075 HydrophobicContact CG2-CD2 3.88Å; V2046-L2076 HydrophobicContact CG1-CD1 4.38Å; V2046-L2076 HydrophobicContact CG1-CD2 3.88Å; V2046-L2076 HydrophobicContact CG1-CG 3.82Å |
| 2047 | I | 86.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 173.8 | -69.5 | 168.3 | 0 | 0 | 0 | 111.1 | L2043 I2045 L2049 V2050 L2051 L2076 I2092 N2095 M2096 | L2043-I2047 HydrophobicContact CG-CD1 4.06Å; L2043-I2047 VanDerWaalsContact O-CG1 3.29Å; L2043-I2047 WeakPolarHBondContact O-CG1 3.37Å; L2043-I2047 PolarHBondContact O-N 3.39Å; I2045-I2047 VanDerWaalsContact C-N 3.27Å; I2045-I2047 PolarHBondContact O-N 3.49Å; I2047-L2049 PolarHBondContact O-N 3.45Å; I2047-V2050 PolarHBondContact O-N 3.44Å; I2047-L2051 HydrophobicContact CG2-CD1 3.61Å; I2047-L2051 HydrophobicContact CG2-CG 4.32Å; I2047-L2051 WeakPolarHBondContact O-CG 3.14Å; I2047-L2051 PolarHBondContact O-N 3.33Å; I2047-L2051 VanDerWaalsContact O-N 3.08Å; I2047-L2076 HydrophobicContact CG1-CD1 4.34Å; I2047-L2076 HydrophobicContact CG1-CD2 4.27Å; I2047-I2092 HydrophobicContact CD1-CG2 4.21Å; I2047-N2095 HydrophobicContact CD1-CB 3.66Å; I2047-M2096 HydrophobicContact CD1-CG 4.38Å; I2047-M2096 HydrophobicContact CG1-CE 4.27Å; I2047-M2096 HydrophobicContact CG2-CE 4.03Å; I2047-M2096 HydrophobicContact CG2-CG 3.57Å |
| 2048 | S | 82.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -38.3 | 179 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | L2002 D2044 I2045 V2046 V2050 L2051 N2052 | L2002-S2048 WeakPolarHBondContact CD1-OG 3.4Å; D2044-S2048 VanDerWaalsContact O-CB 3.25Å; D2044-S2048 WeakPolarHBondContact O-CB 3.29Å; D2044-S2048 PolarHBondContact O-N 3.04Å; I2045-S2048 CarbonylContact O-C 3.55Å; I2045-S2048 WeakPolarHBondContact O-CA 3.13Å; I2045-S2048 WeakPolarHBondContact O-CB 3.45Å; I2045-S2048 PolarHBondContact O-N 2.91Å; V2046-S2048 PolarHBondContact O-N 3.39Å; S2048-V2050 VanDerWaalsContact C-N 3.29Å; S2048-V2050 PolarHBondContact O-N 3.21Å; S2048-L2051 PolarHBondContact O-N 3.27Å; S2048-N2052 WeakPolarHBondContact O-CB 3.48Å; S2048-N2052 PolarHBondContact O-N 2.81Å; S2048-N2052 PolarHBondContact OG-ND2 3.46Å |
| 2049 | L | 85.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 177 | -73.6 | 171.1 | 0 | 0 | 0 | 111.8 | L2002 I2005 L2017 I2045 V2046 I2047 I2054 V2068 K2069 A2072 | L2002-L2049 HydrophobicContact CD2-CD2 3.59Å; L2002-L2049 HydrophobicContact CD2-CG 4.2Å; I2005-L2049 HydrophobicContact CD1-CD2 3.47Å; I2005-L2049 VanDerWaalsContact CD1-CD2 3.47Å; L2017-L2049 HydrophobicContact CD1-CD1 4.38Å; I2045-L2049 HydrophobicContact CG2-CD1 3.98Å; I2045-L2049 HydrophobicContact CG2-CG 4.17Å; I2045-L2049 WeakPolarHBondContact O-CG 3.45Å; I2045-L2049 PolarHBondContact O-N 2.91Å; V2046-L2049 PolarHBondContact O-N 3.49Å; I2047-L2049 PolarHBondContact O-N 3.45Å; L2049-I2054 HydrophobicContact CD2-CD1 4.06Å; L2049-I2054 HydrophobicContact CD2-CG1 4.36Å; L2049-V2068 HydrophobicContact CD1-CG1 4.23Å; L2049-V2068 HydrophobicContact CD2-CG1 3.92Å; L2049-V2068 HydrophobicContact CG-CG1 4.49Å; L2049-K2069 WeakPolarHBondContact O-CE 3.37Å; L2049-K2069 WeakPolarHBondContact O-CG 3.36Å; L2049-A2072 HydrophobicContact CB-CB 4.06Å |
| 2050 | V | 84 | Confident | 76 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.3 | -48.7 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | V2046 I2047 S2048 K2069 A2072 L2076 I2169 | V2046-V2050 PolarHBondContact O-N 3.27Å; I2047-V2050 PolarHBondContact O-N 3.44Å; S2048-V2050 VanDerWaalsContact C-N 3.29Å; S2048-V2050 PolarHBondContact O-N 3.21Å; V2050-K2069 PolarHBondContact O-NZ 2.85Å; V2050-A2072 HydrophobicContact CG2-CB 3.74Å; V2050-L2076 HydrophobicContact CG2-CD1 4.08Å; V2050-I2169 HydrophobicContact CG1-CD1 4.14Å; V2050-I2169 HydrophobicContact CG1-CG1 3.99Å |
| 2051 | L | 82.7 | Confident | 75.6 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -78.9 | -37.5 | -169.3 | -63.8 | 178.1 | 0 | 0 | 0 | 114.4 | I2047 S2048 M2096 Q2105 L2106 | I2047-L2051 HydrophobicContact CG2-CD1 3.61Å; I2047-L2051 HydrophobicContact CG2-CG 4.32Å; I2047-L2051 WeakPolarHBondContact O-CG 3.14Å; I2047-L2051 PolarHBondContact O-N 3.33Å; I2047-L2051 VanDerWaalsContact O-N 3.08Å; S2048-L2051 PolarHBondContact O-N 3.27Å; L2051-M2096 HydrophobicContact CD1-CG 4.17Å; L2051-Q2105 HydrophobicContact CD1-CB 4.42Å; L2051-Q2105 HydrophobicContact CD2-CB 3.93Å; L2051-L2106 HydrophobicContact CD2-CD2 3.64Å; L2051-L2106 HydrophobicContact CD2-CG 3.9Å |
| 2052 | N | 79.1 | Confident | 75.5 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -96.7 | 164.3 | -172.2 | -66.5 | -44 | 0 | 0 | 0 | 112.8 | L2002 S2048 K2069 | L2002-N2052 HydrophobicContact CD1-CB 3.65Å; S2048-N2052 WeakPolarHBondContact O-CB 3.48Å; S2048-N2052 PolarHBondContact O-N 2.81Å; S2048-N2052 PolarHBondContact OG-ND2 3.46Å; N2052-K2069 WeakPolarHBondContact O-CE 3.42Å; N2052-K2069 PolarHBondContact O-NZ 3.36Å |
| 2053 | E | 70.6 | Confident | 75.3 | Confident | 123 Ų | 123 | 41.5 Ų | 41.5 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | trans | -79.3 | 126.8 | 168 | -70.1 | -179.3 | 172.2 | 0 | 0 | 110.1 | K2055 | E2053-K2055 HydrophobicContact CB-CG 4.43Å; E2053-K2055 PolarHBondContact O-N 2.9Å; E2053-K2055 WeakPolarHBondContact OE2-CE 3.27Å; E2053-K2055 IonicContact OE2-NZ 2.75Å; E2053-K2055 PolarHBondContact OE2-NZ 3.27Å | ||
| 2054 | I | 71.8 | Confident | 75 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -81.7 | 81.6 | 179.8 | -50.3 | 172 | 0 | 0 | 0 | 108.7 | I2005 L2049 L2057 A2058 A2065 V2068 K2069 | I2005-I2054 HydrophobicContact CB-CG2 3.98Å; I2005-I2054 HydrophobicContact CD1-CG2 4.18Å; I2005-I2054 HydrophobicContact CG2-CG2 4.1Å; L2049-I2054 HydrophobicContact CD2-CD1 4.06Å; L2049-I2054 HydrophobicContact CD2-CG1 4.36Å; I2054-L2057 HydrophobicContact CG2-CB 3.99Å; I2054-L2057 HydrophobicContact CG2-CD2 4.17Å; I2054-L2057 PolarHBondContact O-N 3.16Å; I2054-L2057 VanDerWaalsContact O-N 3.12Å; I2054-A2058 WeakPolarHBondContact O-CB 3.47Å; I2054-A2058 PolarHBondContact O-N 3.12Å; I2054-A2065 HydrophobicContact CD1-CB 4.5Å; I2054-V2068 HydrophobicContact CD1-CB 3.97Å; I2054-V2068 HydrophobicContact CD1-CG1 3.73Å; I2054-K2069 HydrophobicContact CD1-CG 4.36Å | ||
| 2055 | K | 64.5 | Low | 74.9 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 138.2 | 176.4 | -68.5 | -175.6 | 178.1 | 163.5 | 0 | 110.5 | N2003 E2053 | N2003-K2055 VanDerWaalsContact CA-O 3.31Å; N2003-K2055 WeakPolarHBondContact CA-O 3.23Å; N2003-K2055 PolarHBondContact OD1-O 3.18Å; E2053-K2055 HydrophobicContact CB-CG 4.43Å; E2053-K2055 PolarHBondContact O-N 2.9Å; E2053-K2055 WeakPolarHBondContact OE2-CE 3.27Å; E2053-K2055 IonicContact OE2-NZ 2.75Å; E2053-K2055 PolarHBondContact OE2-NZ 3.27Å |
| 2056 | P | 58.1 | Low | 74.8 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 33% | 0.325 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.6 | -0.8 | 6.1 | 35 | -34.4 | 0 | 0 | 0 | 115.1 | A2058 E2059 K2060 | P2056-A2058 VanDerWaalsContact C-N 3.3Å; P2056-A2058 PolarHBondContact O-N 2.82Å; P2056-E2059 WeakPolarHBondContact O-CB 3.32Å; P2056-E2059 PolarHBondContact O-N 2.89Å; P2056-K2060 PolarHBondContact O-N 3.47Å |
| 2057 | L | 65.7 | Low | 74.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | -176 | -173 | 72.2 | 0 | 0 | 0 | 112.7 | I2005 E2007 V2010 I2054 E2059 K2060 S2061 L2064 A2065 | I2005-L2057 HydrophobicContact CG2-CD2 4.07Å; E2007-L2057 HydrophobicContact CG-CD1 4Å; V2010-L2057 HydrophobicContact CG2-CD1 3.76Å; V2010-L2057 HydrophobicContact CG2-CD2 3.41Å; V2010-L2057 VanDerWaalsContact CG2-CD2 3.41Å; V2010-L2057 HydrophobicContact CG2-CG 4.22Å; I2054-L2057 HydrophobicContact CG2-CB 3.99Å; I2054-L2057 HydrophobicContact CG2-CD2 4.17Å; I2054-L2057 PolarHBondContact O-N 3.16Å; I2054-L2057 VanDerWaalsContact O-N 3.12Å; L2057-E2059 PolarHBondContact O-N 2.85Å; L2057-K2060 PolarHBondContact O-N 3.15Å; L2057-S2061 CarbonylContact O-C 3.59Å; L2057-S2061 PolarHBondContact O-N 3.46Å; L2057-L2064 HydrophobicContact CD1-CB 4.18Å; L2057-L2064 HydrophobicContact CD1-CD1 4.35Å; L2057-L2064 HydrophobicContact CD2-CB 4.24Å; L2057-L2064 HydrophobicContact CG-CB 4.36Å; L2057-A2065 HydrophobicContact CD2-CB 3.97Å; L2057-A2065 HydrophobicContact CG-CB 4.23Å |
| 2058 | A | 60.9 | Low | 74.6 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -26.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2054 P2056 A2065 | I2054-A2058 WeakPolarHBondContact O-CB 3.47Å; I2054-A2058 PolarHBondContact O-N 3.12Å; P2056-A2058 VanDerWaalsContact C-N 3.3Å; P2056-A2058 PolarHBondContact O-N 2.82Å; A2058-A2065 HydrophobicContact CB-CB 4.23Å |
| 2059 | E | 63.9 | Low | 74.8 | Confident | 142 Ų | 142 | 45.6 Ų | 45.6 | 66% | 0.664 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -81.9 | -29 | 178.4 | -63.9 | 176.8 | 177.9 | 0 | 0 | 112.3 | P2056 L2057 | P2056-E2059 WeakPolarHBondContact O-CB 3.32Å; P2056-E2059 PolarHBondContact O-N 2.89Å; L2057-E2059 PolarHBondContact O-N 2.85Å |
| 2060 | K | 67.1 | Low | 74.8 | Confident | 154 Ų | 154 | 45.7 Ų | 45.7 | 67% | 0.67 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -94.6 | -45.7 | -177.8 | -69.1 | -175.8 | 176.3 | -175.5 | 0 | 113.1 | P2056 L2057 | P2056-K2060 PolarHBondContact O-N 3.47Å; L2057-K2060 PolarHBondContact O-N 3.15Å |
| 2061 | S | 69.8 | Low | 75 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | trans | -144.7 | 80.1 | -170.7 | -73.7 | 0 | 0 | 0 | 0 | 109.6 | E2007 L2057 H2063 L2064 A2065 | E2007-S2061 WeakPolarHBondContact OE1-CB 3.31Å; E2007-S2061 PolarHBondContact OE1-OG 2.93Å; L2057-S2061 CarbonylContact O-C 3.59Å; L2057-S2061 PolarHBondContact O-N 3.46Å; S2061-H2063 PolarHBondContact O-N 2.98Å; S2061-L2064 PolarHBondContact O-N 2.93Å; S2061-A2065 PolarHBondContact O-N 3.33Å | ||
| 2062 | I | 75.6 | Confident | 75.4 | Confident | 81 Ų | 81 | 45.7 Ų | 45.7 | 42% | 0.415 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -31.5 | -176.3 | -155.8 | 149.7 | 0 | 0 | 0 | 112.9 | A2065 L2066 L2116 | I2062-A2065 PolarHBondContact O-N 2.85Å; I2062-L2066 WeakPolarHBondContact O-CG 3.34Å; I2062-L2066 PolarHBondContact O-N 3.47Å; I2062-L2116 HydrophobicContact CD1-CD1 4.42Å; I2062-L2116 HydrophobicContact CD1-CD2 3.42Å; I2062-L2116 VanDerWaalsContact CD1-CD2 3.42Å; I2062-L2116 HydrophobicContact CG1-CD2 4.36Å |
| 2063 | H | 76 | Confident | 75.8 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 27% | 0.269 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.6 | -176.2 | -93.3 | 0 | 0 | 0 | 112.4 | S2061 A2065 L2066 E2067 E2159 A2160 | S2061-H2063 PolarHBondContact O-N 2.98Å; H2063-A2065 VanDerWaalsContact C-N 3.28Å; H2063-A2065 PolarHBondContact O-N 3.14Å; H2063-L2066 WeakPolarHBondContact O-CB 3.32Å; H2063-L2066 PolarHBondContact O-N 3.21Å; H2063-L2066 VanDerWaalsContact O-N 3.1Å; H2063-E2067 PolarHBondContact O-N 2.67Å; H2063-E2159 WeakPolarHBondContact CE1-CG 3.31Å; H2063-E2159 IonicContact CE1-OE1 3.05Å; H2063-E2159 VanDerWaalsContact NE2-CA 3.27Å; H2063-E2159 WeakPolarHBondContact NE2-CA 3.36Å; H2063-E2159 WeakPolarHBondContact NE2-CB 3.5Å; H2063-E2159 WeakPolarHBondContact NE2-CG 3.39Å; H2063-E2159 IonicContact NE2-OE2 3.19Å; H2063-A2160 PolarHBondContact NE2-N 3.48Å |
| 2064 | L | 79.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.2 | -74.1 | 173.2 | 0 | 0 | 0 | 112.1 | E2007 V2010 L2057 S2061 E2067 V2068 | E2007-L2064 HydrophobicContact CG-CD1 4.12Å; V2010-L2064 HydrophobicContact CG1-CB 4.19Å; V2010-L2064 HydrophobicContact CG1-CD2 3.95Å; L2057-L2064 HydrophobicContact CD1-CB 4.18Å; L2057-L2064 HydrophobicContact CD1-CD1 4.35Å; L2057-L2064 HydrophobicContact CD2-CB 4.24Å; L2057-L2064 HydrophobicContact CG-CB 4.36Å; S2061-L2064 PolarHBondContact O-N 2.93Å; L2064-E2067 PolarHBondContact O-N 3.05Å; L2064-V2068 WeakPolarHBondContact O-CG2 3.14Å; L2064-V2068 PolarHBondContact O-N 3.32Å; L2064-V2068 VanDerWaalsContact O-N 3.12Å |
| 2065 | A | 79.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2054 L2057 A2058 S2061 I2062 H2063 K2069 | I2054-A2065 HydrophobicContact CD1-CB 4.5Å; L2057-A2065 HydrophobicContact CD2-CB 3.97Å; L2057-A2065 HydrophobicContact CG-CB 4.23Å; A2058-A2065 HydrophobicContact CB-CB 4.23Å; S2061-A2065 PolarHBondContact O-N 3.33Å; I2062-A2065 PolarHBondContact O-N 2.85Å; H2063-A2065 VanDerWaalsContact C-N 3.28Å; H2063-A2065 PolarHBondContact O-N 3.14Å; A2065-K2069 WeakPolarHBondContact O-CG 3.39Å; A2065-K2069 PolarHBondContact O-N 3.18Å; A2065-K2069 VanDerWaalsContact O-N 3.07Å |
| 2066 | L | 81.8 | Confident | 78.6 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 174.2 | -72.7 | 170.8 | 0 | 0 | 0 | 111.8 | I2062 H2063 K2069 S2070 L2116 P2162 V2165 | I2062-L2066 WeakPolarHBondContact O-CG 3.34Å; I2062-L2066 PolarHBondContact O-N 3.47Å; H2063-L2066 WeakPolarHBondContact O-CB 3.32Å; H2063-L2066 PolarHBondContact O-N 3.21Å; H2063-L2066 VanDerWaalsContact O-N 3.1Å; L2066-K2069 PolarHBondContact O-N 3.01Å; L2066-S2070 WeakPolarHBondContact O-CB 3.41Å; L2066-S2070 PolarHBondContact O-N 3.47Å; L2066-L2116 HydrophobicContact CD2-CD1 4.05Å; L2066-P2162 HydrophobicContact CD1-CG 3.91Å; L2066-V2165 HydrophobicContact CB-CG2 4.29Å; L2066-V2165 HydrophobicContact CD2-CG2 4.25Å; L2066-V2165 WeakPolarHBondContact O-CG2 3.37Å |
| 2067 | E | 81.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 23% | 0.234 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 175 | -164 | -165.8 | 146.5 | 0 | 0 | 111.6 | N2014 H2063 L2064 K2069 S2070 N2071 A2160 | N2014-E2067 PolarHBondContact ND2-OE1 3.3Å; N2014-E2067 PolarHBondContact ND2-OE2 3.47Å; H2063-E2067 PolarHBondContact O-N 2.67Å; L2064-E2067 PolarHBondContact O-N 3.05Å; E2067-K2069 VanDerWaalsContact C-N 3.33Å; E2067-K2069 PolarHBondContact O-N 3.27Å; E2067-S2070 WeakPolarHBondContact O-CB 3.41Å; E2067-S2070 PolarHBondContact O-N 3.5Å; E2067-N2071 PolarHBondContact O-N 3.08Å; E2067-N2071 PolarHBondContact O-ND2 2.92Å; E2067-A2160 HydrophobicContact CB-CB 4.34Å |
| 2068 | V | 86 | Confident | 80.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | V2010 V2013 N2014 L2017 L2049 I2054 L2064 A2072 | V2010-V2068 HydrophobicContact CG1-CG2 3.85Å; V2010-V2068 HydrophobicContact CG2-CG2 4.41Å; V2013-V2068 HydrophobicContact CG1-CG1 4.49Å; N2014-V2068 VanDerWaalsContact OD1-CA 3.24Å; N2014-V2068 WeakPolarHBondContact OD1-CA 3.33Å; N2014-V2068 VanDerWaalsContact OD1-CG2 3.23Å; N2014-V2068 WeakPolarHBondContact OD1-CG2 3.49Å; L2017-V2068 HydrophobicContact CD1-CG1 4.21Å; L2049-V2068 HydrophobicContact CD1-CG1 4.23Å; L2049-V2068 HydrophobicContact CD2-CG1 3.92Å; L2049-V2068 HydrophobicContact CG-CG1 4.49Å; I2054-V2068 HydrophobicContact CD1-CB 3.97Å; I2054-V2068 HydrophobicContact CD1-CG1 3.73Å; L2064-V2068 WeakPolarHBondContact O-CG2 3.14Å; L2064-V2068 PolarHBondContact O-N 3.32Å; L2064-V2068 VanDerWaalsContact O-N 3.12Å; V2068-A2072 VanDerWaalsContact O-CB 3.26Å; V2068-A2072 WeakPolarHBondContact O-CB 3.48Å; V2068-A2072 PolarHBondContact O-N 3Å |
| 2069 | K | 86.7 | Confident | 81.9 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 175.9 | -77.2 | -168.2 | 175.2 | -147.6 | 0 | 112.3 | L2049 V2050 N2052 I2054 A2065 L2066 E2067 S2073 V2165 | L2049-K2069 WeakPolarHBondContact O-CE 3.37Å; L2049-K2069 WeakPolarHBondContact O-CG 3.36Å; V2050-K2069 PolarHBondContact O-NZ 2.85Å; N2052-K2069 WeakPolarHBondContact O-CE 3.42Å; N2052-K2069 PolarHBondContact O-NZ 3.36Å; I2054-K2069 HydrophobicContact CD1-CG 4.36Å; A2065-K2069 WeakPolarHBondContact O-CG 3.39Å; A2065-K2069 PolarHBondContact O-N 3.18Å; A2065-K2069 VanDerWaalsContact O-N 3.07Å; L2066-K2069 PolarHBondContact O-N 3.01Å; E2067-K2069 VanDerWaalsContact C-N 3.33Å; E2067-K2069 PolarHBondContact O-N 3.27Å; K2069-S2073 VanDerWaalsContact O-CB 3.32Å; K2069-S2073 WeakPolarHBondContact O-CB 2.94Å; K2069-S2073 PolarHBondContact O-N 2.83Å; K2069-S2073 PolarHBondContact O-OG 3.34Å; K2069-V2165 HydrophobicContact CB-CG1 3.89Å |
| 2070 | S | 86.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.3 | -55.2 | 176.1 | -164.8 | 0 | 0 | 0 | 0 | 110.1 | L2066 E2067 A2072 S2073 K2074 N2168 | L2066-S2070 WeakPolarHBondContact O-CB 3.41Å; L2066-S2070 PolarHBondContact O-N 3.47Å; E2067-S2070 WeakPolarHBondContact O-CB 3.41Å; E2067-S2070 PolarHBondContact O-N 3.5Å; S2070-A2072 PolarHBondContact O-N 3.38Å; S2070-S2073 PolarHBondContact O-N 3.23Å; S2070-S2073 VanDerWaalsContact O-N 3.1Å; S2070-S2073 PolarHBondContact O-OG 2.92Å; S2070-K2074 WeakPolarHBondContact O-CG 3.26Å; S2070-K2074 PolarHBondContact O-N 3.1Å; S2070-N2168 PolarHBondContact OG-ND2 3.47Å |
| 2071 | N | 89.2 | Confident | 83.3 | Confident | 16 Ų | 16 | 21.1 Ų | 21.1 | 9% | 0.086 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | -178.6 | -68.3 | -33.8 | 0 | 0 | 0 | 112.5 | N2014 L2017 I2018 E2067 K2074 L2075 | N2014-N2071 PolarHBondContact OD1-ND2 3.1Å; L2017-N2071 HydrophobicContact CB-CB 3.96Å; L2017-N2071 HydrophobicContact CD1-CB 4.08Å; I2018-N2071 HydrophobicContact CG1-CB 4.49Å; E2067-N2071 PolarHBondContact O-N 3.08Å; E2067-N2071 PolarHBondContact O-ND2 2.92Å; N2071-K2074 PolarHBondContact O-N 2.85Å; N2071-L2075 PolarHBondContact O-N 3.48Å |
| 2072 | A | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2017 V2046 L2049 V2050 V2068 S2070 L2075 L2076 | L2017-A2072 HydrophobicContact CD1-CB 4.26Å; L2017-A2072 HydrophobicContact CD2-CB 4.4Å; V2046-A2072 HydrophobicContact CG1-CB 4.19Å; L2049-A2072 HydrophobicContact CB-CB 4.06Å; V2050-A2072 HydrophobicContact CG2-CB 3.74Å; V2068-A2072 VanDerWaalsContact O-CB 3.26Å; V2068-A2072 WeakPolarHBondContact O-CB 3.48Å; V2068-A2072 PolarHBondContact O-N 3Å; S2070-A2072 PolarHBondContact O-N 3.38Å; A2072-L2075 PolarHBondContact O-N 2.83Å; A2072-L2076 PolarHBondContact O-N 3.39Å |
| 2073 | S | 87.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 175.3 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | K2069 S2070 L2076 L2077 N2168 | K2069-S2073 VanDerWaalsContact O-CB 3.32Å; K2069-S2073 WeakPolarHBondContact O-CB 2.94Å; K2069-S2073 PolarHBondContact O-N 2.83Å; K2069-S2073 PolarHBondContact O-OG 3.34Å; S2070-S2073 PolarHBondContact O-N 3.23Å; S2070-S2073 VanDerWaalsContact O-N 3.1Å; S2070-S2073 PolarHBondContact O-OG 2.92Å; S2073-L2076 PolarHBondContact O-N 3.16Å; S2073-L2077 WeakPolarHBondContact O-CG 3.43Å; S2073-L2077 PolarHBondContact O-N 3.47Å; S2073-N2168 WeakPolarHBondContact OG-CB 3.18Å |
| 2074 | K | 87.1 | Confident | 82.2 | Confident | 52 Ų | 52 | 22.5 Ų | 22.5 | 23% | 0.226 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.6 | -71.6 | 179.7 | -178 | 179.7 | 0 | 111.3 | S2070 N2071 L2077 A2078 E2164 E2573 | S2070-K2074 WeakPolarHBondContact O-CG 3.26Å; S2070-K2074 PolarHBondContact O-N 3.1Å; N2071-K2074 PolarHBondContact O-N 2.85Å; K2074-L2077 WeakPolarHBondContact O-CB 3.48Å; K2074-L2077 PolarHBondContact O-N 2.79Å; K2074-A2078 PolarHBondContact O-N 2.79Å; K2074-E2164 WeakPolarHBondContact CE-OE1 3.39Å; K2074-E2164 IonicContact NZ-OE1 3.63Å; K2074-E2164 PolarHBondContact NZ-OE1 3.49Å; K2074-E2573 IonicContact NZ-OE1 3.18Å |
| 2075 | L | 90.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.3 | 178.8 | 56.2 | 0 | 0 | 0 | 112.6 | L2017 L2020 T2021 V2046 N2071 A2072 L2077 A2078 I2079 | L2017-L2075 HydrophobicContact CD2-CD2 3.89Å; L2020-L2075 HydrophobicContact CB-CD1 3.79Å; L2020-L2075 HydrophobicContact CB-CD2 3.97Å; L2020-L2075 HydrophobicContact CD1-CD2 4.12Å; T2021-L2075 WeakPolarHBondContact OG1-CA 3.42Å; T2021-L2075 WeakPolarHBondContact OG1-CB 3.44Å; V2046-L2075 HydrophobicContact CG1-CD2 4.08Å; V2046-L2075 HydrophobicContact CG1-CG 4.46Å; V2046-L2075 HydrophobicContact CG2-CD2 3.88Å; N2071-L2075 PolarHBondContact O-N 3.48Å; A2072-L2075 PolarHBondContact O-N 2.83Å; L2075-L2077 VanDerWaalsContact C-N 3.32Å; L2075-L2077 PolarHBondContact O-N 2.92Å; L2075-A2078 PolarHBondContact O-N 3.37Å; L2075-I2079 HydrophobicContact CD1-CD1 4.25Å; L2075-I2079 HydrophobicContact CD1-CG1 4.42Å; L2075-I2079 HydrophobicContact CG-CD1 4.17Å; L2075-I2079 VanDerWaalsContact O-CG1 3.32Å; L2075-I2079 WeakPolarHBondContact O-CG1 3.39Å; L2075-I2079 PolarHBondContact O-N 3Å |
| 2076 | L | 87.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 177 | -69 | 178.5 | 0 | 0 | 0 | 112.3 | L2043 V2046 I2047 V2050 A2072 S2073 I2079 L2080 I2092 M2096 L2172 | L2043-L2076 HydrophobicContact CD1-CD2 3.92Å; V2046-L2076 HydrophobicContact CG1-CD1 4.38Å; V2046-L2076 HydrophobicContact CG1-CD2 3.88Å; V2046-L2076 HydrophobicContact CG1-CG 3.82Å; I2047-L2076 HydrophobicContact CG1-CD1 4.34Å; I2047-L2076 HydrophobicContact CG1-CD2 4.27Å; V2050-L2076 HydrophobicContact CG2-CD1 4.08Å; A2072-L2076 PolarHBondContact O-N 3.39Å; S2073-L2076 PolarHBondContact O-N 3.16Å; L2076-I2079 HydrophobicContact CD2-CD1 4.41Å; L2076-I2079 PolarHBondContact O-N 2.86Å; L2076-L2080 WeakPolarHBondContact O-CG 3.39Å; L2076-L2080 PolarHBondContact O-N 2.8Å; L2076-I2092 HydrophobicContact CD2-CD1 4.2Å; L2076-M2096 HydrophobicContact CD1-CE 4.5Å; L2076-L2172 HydrophobicContact CB-CD1 3.87Å; L2076-L2172 HydrophobicContact CB-CD2 3.99Å; L2076-L2172 HydrophobicContact CD1-CD2 3.77Å |
| 2077 | L | 85.4 | Confident | 81.3 | Confident | 31 Ų | 31 | 26.6 Ų | 26.6 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.2 | -73.6 | 169.1 | 0 | 0 | 0 | 111.6 | S2073 K2074 L2075 I2079 L2080 E2081 N2168 I2171 L2172 | S2073-L2077 WeakPolarHBondContact O-CG 3.43Å; S2073-L2077 PolarHBondContact O-N 3.47Å; K2074-L2077 WeakPolarHBondContact O-CB 3.48Å; K2074-L2077 PolarHBondContact O-N 2.79Å; L2075-L2077 VanDerWaalsContact C-N 3.32Å; L2075-L2077 PolarHBondContact O-N 2.92Å; L2077-I2079 VanDerWaalsContact C-N 3.34Å; L2077-I2079 PolarHBondContact O-N 3.2Å; L2077-L2080 CarbonylContact O-C 3.49Å; L2077-L2080 PolarHBondContact O-N 3.42Å; L2077-E2081 PolarHBondContact O-N 3.07Å; L2077-E2081 VanDerWaalsContact O-N 3.09Å; L2077-N2168 HydrophobicContact CD1-CB 4.14Å; L2077-I2171 HydrophobicContact CD2-CB 4.42Å; L2077-I2171 HydrophobicContact CD2-CG2 3.85Å; L2077-L2172 HydrophobicContact CD2-CB 3.9Å; L2077-L2172 HydrophobicContact CD2-CD1 4.23Å; L2077-L2172 HydrophobicContact CG-CB 4.3Å |
| 2078 | A | 84.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 5% | 0.05 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2021 Q2025 Q2032 K2074 L2075 L2080 E2081 | T2021-A2078 HydrophobicContact CG2-CB 4.14Å; Q2025-A2078 HydrophobicContact CB-CB 4.35Å; Q2032-A2078 PolarHBondContact NE2-O 3.21Å; K2074-A2078 PolarHBondContact O-N 2.79Å; L2075-A2078 PolarHBondContact O-N 3.37Å; A2078-L2080 VanDerWaalsContact C-N 3.29Å; A2078-L2080 PolarHBondContact O-N 3.24Å; A2078-E2081 WeakPolarHBondContact O-CB 3.43Å; A2078-E2081 PolarHBondContact O-N 2.92Å |
| 2079 | I | 85.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -33.1 | 174.5 | -68 | 164.7 | 0 | 0 | 0 | 112 | I2035 A2036 L2043 L2075 L2076 L2077 E2081 N2088 I2092 | I2035-I2079 HydrophobicContact CB-CD1 4.49Å; I2035-I2079 HydrophobicContact CG2-CD1 3.66Å; I2035-I2079 HydrophobicContact CG2-CG1 4.25Å; A2036-I2079 HydrophobicContact CB-CG2 3.9Å; L2043-I2079 HydrophobicContact CD1-CD1 4.02Å; L2075-I2079 HydrophobicContact CD1-CD1 4.25Å; L2075-I2079 HydrophobicContact CD1-CG1 4.42Å; L2075-I2079 HydrophobicContact CG-CD1 4.17Å; L2075-I2079 VanDerWaalsContact O-CG1 3.32Å; L2075-I2079 WeakPolarHBondContact O-CG1 3.39Å; L2075-I2079 PolarHBondContact O-N 3Å; L2076-I2079 HydrophobicContact CD2-CD1 4.41Å; L2076-I2079 PolarHBondContact O-N 2.86Å; L2077-I2079 VanDerWaalsContact C-N 3.34Å; L2077-I2079 PolarHBondContact O-N 3.2Å; I2079-E2081 VanDerWaalsContact C-N 3.34Å; I2079-N2088 HydrophobicContact CG2-CB 4.3Å; I2079-I2092 HydrophobicContact CG2-CD1 4.23Å |
| 2080 | L | 81.5 | Confident | 81.3 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.8 | 179.1 | -67.9 | 174.4 | 0 | 0 | 0 | 113.6 | L2076 L2077 A2078 S2082 D2085 N2088 A2089 I2092 L2172 L2176 | L2076-L2080 WeakPolarHBondContact O-CG 3.39Å; L2076-L2080 PolarHBondContact O-N 2.8Å; L2077-L2080 CarbonylContact O-C 3.49Å; L2077-L2080 PolarHBondContact O-N 3.42Å; A2078-L2080 VanDerWaalsContact C-N 3.29Å; A2078-L2080 PolarHBondContact O-N 3.24Å; L2080-S2082 PolarHBondContact O-N 2.94Å; L2080-D2085 HydrophobicContact CD2-CB 4.06Å; L2080-N2088 HydrophobicContact CD2-CB 4.35Å; L2080-A2089 HydrophobicContact CD2-CB 3.73Å; L2080-I2092 HydrophobicContact CD1-CD1 4.06Å; L2080-I2092 HydrophobicContact CD2-CD1 3.94Å; L2080-I2092 HydrophobicContact CG-CD1 3.9Å; L2080-L2172 HydrophobicContact CD1-CD1 3.5Å; L2080-L2176 HydrophobicContact CD1-CD2 3.65Å; L2080-L2176 HydrophobicContact CD1-CG 4.06Å; L2080-L2176 HydrophobicContact CD2-CD2 4.43Å |
| 2081 | E | 78.6 | Confident | 81.2 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | trans | -73.8 | -18.8 | -178.9 | -167.8 | 173 | -145.7 | 0 | 0 | 112.4 | G2026 L2077 A2078 I2079 T2575 G2576 P2577 | G2026-E2081 PolarHBondContact N-OE2 3.1Å; L2077-E2081 PolarHBondContact O-N 3.07Å; L2077-E2081 VanDerWaalsContact O-N 3.09Å; A2078-E2081 WeakPolarHBondContact O-CB 3.43Å; A2078-E2081 PolarHBondContact O-N 2.92Å; I2079-E2081 VanDerWaalsContact C-N 3.34Å; E2081-T2575 WeakPolarHBondContact OE1-CA 3.39Å; E2081-T2575 WeakPolarHBondContact OE1-CB 3.1Å; E2081-G2576 WeakPolarHBondContact OE1-CA 3.27Å; E2081-G2576 PolarHBondContact OE1-N 2.97Å; E2081-P2577 HydrophobicContact CG-CG 4.39Å; E2081-P2577 WeakPolarHBondContact OE1-CD 3.39Å | ||
| 2082 | S | 69.3 | Low | 81.1 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.1 | 150.3 | 176.7 | -169 | 0 | 0 | 0 | 0 | 113.2 | H2029 Q2032 L2080 C2084 D2085 | H2029-S2082 VanDerWaalsContact CE1-CA 3.48Å; H2029-S2082 WeakPolarHBondContact CE1-CA 3.47Å; H2029-S2082 PolarHBondContact CE1-OG 3.46Å; H2029-S2082 VanDerWaalsContact CG-OG 3.29Å; H2029-S2082 WeakPolarHBondContact ND1-CB 3.29Å; H2029-S2082 PolarHBondContact ND1-OG 2.82Å; Q2032-S2082 VanDerWaalsContact OE1-CB 3.28Å; L2080-S2082 PolarHBondContact O-N 2.94Å; S2082-C2084 VanDerWaalsContact C-N 3.3Å; S2082-C2084 PolarHBondContact OG-N 3.16Å; S2082-C2084 VanDerWaalsContact OG-N 3.1Å; S2082-D2085 VanDerWaalsContact O-CB 3.29Å; S2082-D2085 WeakPolarHBondContact O-CB 3.32Å; S2082-D2085 PolarHBondContact O-N 3.25Å |
| 2083 | R | 63.9 | Low | 80.9 | Confident | 101 Ų | 101 | 32.6 Ų | 32.6 | 38% | 0.381 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.8 | 167.6 | -53.1 | -170.5 | -156.8 | 148 | -0.7 | 113.5 | D2085 D2217 T2219 E2221 | R2083-D2085 VanDerWaalsContact C-N 3.34Å; R2083-D2217 IonicContact CZ-OD1 3.66Å; R2083-D2217 IonicContact CZ-OD2 3.44Å; R2083-D2217 IonicContact NH1-OD1 3.66Å; R2083-D2217 PolarHBondContact NH1-OD1 3.22Å; R2083-D2217 IonicContact NH1-OD2 3.79Å; R2083-D2217 PolarHBondContact NH1-OD2 3.33Å; R2083-D2217 IonicContact NH2-OD1 2.65Å; R2083-D2217 PolarHBondContact NH2-OD1 3Å; R2083-D2217 IonicContact NH2-OD2 3.12Å; R2083-T2219 PolarHBondContact NH1-OG1 3.28Å; R2083-T2219 PolarHBondContact NH2-OG1 2.84Å; R2083-E2221 IonicContact NE-OE2 3.59Å; R2083-E2221 PolarHBondContact NE-OE2 2.81Å |
| 2084 | C | 63.8 | Low | 80.6 | Confident | 97 Ų | 97 | 40.9 Ų | 40.9 | 66% | 0.655 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 32.9 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | S2082 G2086 | S2082-C2084 VanDerWaalsContact C-N 3.3Å; S2082-C2084 PolarHBondContact OG-N 3.16Å; S2082-C2084 VanDerWaalsContact OG-N 3.1Å; C2084-G2086 PolarHBondContact O-N 3.04Å |
| 2085 | D | 68.3 | Low | 80.4 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6.7 | 179.8 | 69.4 | -33.3 | 0 | 0 | 0 | 113.1 | L2080 S2082 R2083 D2087 N2088 A2089 H2179 | L2080-D2085 HydrophobicContact CD2-CB 4.06Å; S2082-D2085 VanDerWaalsContact O-CB 3.29Å; S2082-D2085 WeakPolarHBondContact O-CB 3.32Å; S2082-D2085 PolarHBondContact O-N 3.25Å; R2083-D2085 VanDerWaalsContact C-N 3.34Å; D2085-D2087 VanDerWaalsContact C-N 3.27Å; D2085-D2087 PolarHBondContact O-N 3.47Å; D2085-D2087 VanDerWaalsContact O-N 3.15Å; D2085-N2088 CarbonylContact O-C 3.36Å; D2085-N2088 WeakPolarHBondContact O-CA 3.45Å; D2085-N2088 WeakPolarHBondContact O-CB 3.32Å; D2085-N2088 PolarHBondContact O-N 3.15Å; D2085-A2089 WeakPolarHBondContact O-CB 3.32Å; D2085-A2089 PolarHBondContact O-N 3.16Å; D2085-H2179 IonicContact OD1-NE2 2.69Å |
| 2086 | G | 73.4 | Confident | 80.1 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -47 | -47.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C2084 E2090 | C2084-G2086 PolarHBondContact O-N 3.04Å; G2086-E2090 VanDerWaalsContact O-CB 3.32Å; G2086-E2090 WeakPolarHBondContact O-CB 3.34Å; G2086-E2090 VanDerWaalsContact O-CG 3.29Å; G2086-E2090 WeakPolarHBondContact O-CG 3.44Å; G2086-E2090 PolarHBondContact O-N 2.62Å |
| 2087 | D | 80.4 | Confident | 79.6 | Confident | 110 Ų | 110 | 42.2 Ų | 42.2 | 59% | 0.588 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.4 | -38.8 | 177.6 | -64.8 | -30.8 | 0 | 0 | 0 | 112 | M2037 D2085 R2091 | M2037-D2087 VanDerWaalsContact CE-C 3.48Å; M2037-D2087 HydrophobicContact CE-CB 3.49Å; M2037-D2087 VanDerWaalsContact CE-CB 3.49Å; M2037-D2087 WeakPolarHBondContact CE-O 3.48Å; D2085-D2087 VanDerWaalsContact C-N 3.27Å; D2085-D2087 PolarHBondContact O-N 3.47Å; D2085-D2087 VanDerWaalsContact O-N 3.15Å; D2087-R2091 VanDerWaalsContact O-CB 3.27Å; D2087-R2091 WeakPolarHBondContact O-CB 3.41Å; D2087-R2091 PolarHBondContact O-N 3.32Å |
| 2088 | N | 86.7 | Confident | 79 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 177.5 | -64.6 | -15.1 | 0 | 0 | 0 | 111.4 | N2033 A2036 M2037 I2079 L2080 D2085 R2091 I2092 | N2033-N2088 PolarHBondContact OD1-ND2 2.96Å; N2033-N2088 PolarHBondContact OD1-OD1 3.36Å; A2036-N2088 HydrophobicContact CB-CB 3.97Å; A2036-N2088 WeakPolarHBondContact CB-OD1 3.32Å; M2037-N2088 WeakPolarHBondContact CE-OD1 3.33Å; I2079-N2088 HydrophobicContact CG2-CB 4.3Å; L2080-N2088 HydrophobicContact CD2-CB 4.35Å; D2085-N2088 CarbonylContact O-C 3.36Å; D2085-N2088 WeakPolarHBondContact O-CA 3.45Å; D2085-N2088 WeakPolarHBondContact O-CB 3.32Å; D2085-N2088 PolarHBondContact O-N 3.15Å; N2088-R2091 WeakPolarHBondContact O-CB 3.29Å; N2088-R2091 PolarHBondContact O-N 2.83Å; N2088-I2092 WeakPolarHBondContact O-CG1 3.18Å; N2088-I2092 PolarHBondContact O-N 2.69Å |
| 2089 | A | 84 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L2080 D2085 R2091 I2092 I2093 L2176 H2179 | L2080-A2089 HydrophobicContact CD2-CB 3.73Å; D2085-A2089 WeakPolarHBondContact O-CB 3.32Å; D2085-A2089 PolarHBondContact O-N 3.16Å; A2089-R2091 VanDerWaalsContact C-N 3.27Å; A2089-R2091 PolarHBondContact O-N 2.86Å; A2089-I2092 PolarHBondContact O-N 2.9Å; A2089-I2093 WeakPolarHBondContact O-CB 3.48Å; A2089-I2093 WeakPolarHBondContact O-CD1 3.31Å; A2089-I2093 WeakPolarHBondContact O-CG1 3.45Å; A2089-I2093 PolarHBondContact O-N 2.99Å; A2089-L2176 HydrophobicContact CB-CD2 4.05Å; A2089-H2179 HydrophobicContact CB-CB 4.4Å |
| 2090 | E | 83.9 | Confident | 77.3 | Confident | 123 Ų | 123 | 53.5 Ų | 53.5 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.2 | -40.3 | 173.8 | -80.1 | -171 | -173.5 | 0 | 0 | 111.8 | G2086 R2094 | G2086-E2090 VanDerWaalsContact O-CB 3.32Å; G2086-E2090 WeakPolarHBondContact O-CB 3.34Å; G2086-E2090 VanDerWaalsContact O-CG 3.29Å; G2086-E2090 WeakPolarHBondContact O-CG 3.44Å; G2086-E2090 PolarHBondContact O-N 2.62Å; E2090-R2094 WeakPolarHBondContact O-CB 3.49Å; E2090-R2094 PolarHBondContact O-N 3.22Å |
| 2091 | R | 84.9 | Confident | 76.4 | Confident | 70 Ų | 70 | 56.2 Ų | 56.2 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 175.5 | -178.3 | 60.7 | 169.9 | -168.8 | -0.5 | 112 | A2036 M2037 L2043 D2087 N2088 A2089 I2093 R2094 N2095 | A2036-R2091 WeakPolarHBondContact O-CG 3.2Å; M2037-R2091 HydrophobicContact CE-CB 4.35Å; L2043-R2091 HydrophobicContact CD2-CG 4.26Å; D2087-R2091 VanDerWaalsContact O-CB 3.27Å; D2087-R2091 WeakPolarHBondContact O-CB 3.41Å; D2087-R2091 PolarHBondContact O-N 3.32Å; N2088-R2091 WeakPolarHBondContact O-CB 3.29Å; N2088-R2091 PolarHBondContact O-N 2.83Å; A2089-R2091 VanDerWaalsContact C-N 3.27Å; A2089-R2091 PolarHBondContact O-N 2.86Å; R2091-I2093 PolarHBondContact O-N 2.81Å; R2091-R2094 PolarHBondContact O-N 2.87Å; R2091-N2095 WeakPolarHBondContact O-CB 3.21Å; R2091-N2095 VanDerWaalsContact O-CG 3.3Å; R2091-N2095 PolarHBondContact O-N 3.18Å; R2091-N2095 PolarHBondContact O-OD1 3.29Å |
| 2092 | I | 86.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.5 | -70.1 | 167.6 | 0 | 0 | 0 | 110.4 | L2043 I2047 L2076 I2079 L2080 N2088 A2089 R2094 N2095 M2096 L2176 | L2043-I2092 HydrophobicContact CD2-CG1 4.28Å; I2047-I2092 HydrophobicContact CD1-CG2 4.21Å; L2076-I2092 HydrophobicContact CD2-CD1 4.2Å; I2079-I2092 HydrophobicContact CG2-CD1 4.23Å; L2080-I2092 HydrophobicContact CD1-CD1 4.06Å; L2080-I2092 HydrophobicContact CD2-CD1 3.94Å; L2080-I2092 HydrophobicContact CG-CD1 3.9Å; N2088-I2092 WeakPolarHBondContact O-CG1 3.18Å; N2088-I2092 PolarHBondContact O-N 2.69Å; A2089-I2092 PolarHBondContact O-N 2.9Å; I2092-R2094 PolarHBondContact O-N 3.04Å; I2092-N2095 PolarHBondContact O-N 3.2Å; I2092-M2096 HydrophobicContact CG2-CE 3.7Å; I2092-M2096 HydrophobicContact CG2-CG 4.43Å; I2092-M2096 HydrophobicContact CG2-SD 4.16Å; I2092-M2096 WeakPolarHBondContact O-CG 3.46Å; I2092-M2096 PolarHBondContact O-N 3.09Å; I2092-L2176 HydrophobicContact CG2-CD1 4.14Å; I2092-L2176 HydrophobicContact CG2-CD2 4.33Å |
| 2093 | I | 84.4 | Confident | 76.5 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.8 | -71 | 158.9 | 0 | 0 | 0 | 110.2 | A2089 R2091 N2095 M2096 T2097 V2103 L2176 H2179 Y2180 | A2089-I2093 WeakPolarHBondContact O-CB 3.48Å; A2089-I2093 WeakPolarHBondContact O-CD1 3.31Å; A2089-I2093 WeakPolarHBondContact O-CG1 3.45Å; A2089-I2093 PolarHBondContact O-N 2.99Å; R2091-I2093 PolarHBondContact O-N 2.81Å; I2093-N2095 VanDerWaalsContact C-N 3.29Å; I2093-N2095 PolarHBondContact O-N 3.43Å; I2093-M2096 PolarHBondContact O-N 3.25Å; I2093-T2097 WeakPolarHBondContact O-CB 3.49Å; I2093-T2097 PolarHBondContact O-N 3.1Å; I2093-T2097 PolarHBondContact O-OG1 2.83Å; I2093-V2103 HydrophobicContact CG2-CG2 4.12Å; I2093-L2176 HydrophobicContact CD1-CD2 4.22Å; I2093-L2176 HydrophobicContact CG1-CD2 4.07Å; I2093-H2179 HydrophobicContact CD1-CB 4.02Å; I2093-Y2180 HydrophobicContact CG2-CD2 4.29Å; I2093-Y2180 HydrophobicContact CG2-CG 4.37Å |
| 2094 | R | 82.8 | Confident | 77 | Confident | 174 Ų | 174 | 51.6 Ų | 51.6 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.5 | -34.6 | 178.7 | -172.3 | 175.1 | -176.8 | 156 | 0.7 | 112.1 | E2090 R2091 I2092 R2098 | E2090-R2094 WeakPolarHBondContact O-CB 3.49Å; E2090-R2094 PolarHBondContact O-N 3.22Å; R2091-R2094 PolarHBondContact O-N 2.87Å; I2092-R2094 PolarHBondContact O-N 3.04Å; R2094-R2098 WeakPolarHBondContact O-CG 3.25Å; R2094-R2098 PolarHBondContact O-N 2.73Å; R2094-R2098 PolarHBondContact O-NE 3.21Å |
| 2095 | N | 82.9 | Confident | 77.8 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.3 | -47 | 174.9 | -72 | 23.5 | 0 | 0 | 0 | 111.2 | D2044 I2047 R2091 I2092 I2093 T2097 R2098 T2099 | D2044-N2095 WeakPolarHBondContact OD1-CB 3.43Å; D2044-N2095 VanDerWaalsContact OD1-CG 3.26Å; D2044-N2095 PolarHBondContact OD1-ND2 3.39Å; I2047-N2095 HydrophobicContact CD1-CB 3.66Å; R2091-N2095 WeakPolarHBondContact O-CB 3.21Å; R2091-N2095 VanDerWaalsContact O-CG 3.3Å; R2091-N2095 PolarHBondContact O-N 3.18Å; R2091-N2095 PolarHBondContact O-OD1 3.29Å; I2092-N2095 PolarHBondContact O-N 3.2Å; I2093-N2095 VanDerWaalsContact C-N 3.29Å; I2093-N2095 PolarHBondContact O-N 3.43Å; N2095-T2097 VanDerWaalsContact C-N 3.28Å; N2095-T2097 PolarHBondContact O-N 3.27Å; N2095-R2098 WeakPolarHBondContact O-CB 3.46Å; N2095-R2098 PolarHBondContact O-N 3.21Å; N2095-R2098 PolarHBondContact OD1-NH2 3.11Å; N2095-T2099 PolarHBondContact O-OG1 3.45Å |
| 2096 | M | 83.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -35.2 | 174.6 | -72.1 | -175.6 | 179.3 | 0 | 0 | 112.9 | I2047 L2051 L2076 I2092 I2093 R2098 T2099 G2102 V2103 L2106 L2176 | I2047-M2096 HydrophobicContact CD1-CG 4.38Å; I2047-M2096 HydrophobicContact CG1-CE 4.27Å; I2047-M2096 HydrophobicContact CG2-CE 4.03Å; I2047-M2096 HydrophobicContact CG2-CG 3.57Å; L2051-M2096 HydrophobicContact CD1-CG 4.17Å; L2076-M2096 HydrophobicContact CD1-CE 4.5Å; I2092-M2096 HydrophobicContact CG2-CE 3.7Å; I2092-M2096 HydrophobicContact CG2-CG 4.43Å; I2092-M2096 HydrophobicContact CG2-SD 4.16Å; I2092-M2096 WeakPolarHBondContact O-CG 3.46Å; I2092-M2096 PolarHBondContact O-N 3.09Å; I2093-M2096 PolarHBondContact O-N 3.25Å; M2096-R2098 PolarHBondContact O-N 3.22Å; M2096-T2099 WeakPolarHBondContact O-CB 3.17Å; M2096-T2099 PolarHBondContact O-N 3.13Å; M2096-G2102 WeakPolarHBondContact O-CA 3.22Å; M2096-V2103 HydrophobicContact CB-CG2 4.31Å; M2096-L2106 HydrophobicContact CE-CD1 4.32Å; M2096-L2106 HydrophobicContact CE-CD2 4.14Å; M2096-L2106 HydrophobicContact CE-CG 4.49Å; M2096-L2106 HydrophobicContact SD-CD1 3.84Å; M2096-L2106 HydrophobicContact SD-CD2 4.49Å; M2096-L2106 HydrophobicContact SD-CG 4.2Å; M2096-L2176 HydrophobicContact CE-CD1 4.31Å; M2096-L2176 HydrophobicContact SD-CD1 4.29Å |
| 2097 | T | 77 | Confident | 78.9 | Confident | 78 Ų | 78 | 47 Ų | 47 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.8 | -24.2 | 177.2 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | I2093 N2095 T2099 | I2093-T2097 WeakPolarHBondContact O-CB 3.49Å; I2093-T2097 PolarHBondContact O-N 3.1Å; I2093-T2097 PolarHBondContact O-OG1 2.83Å; N2095-T2097 VanDerWaalsContact C-N 3.28Å; N2095-T2097 PolarHBondContact O-N 3.27Å; T2097-T2099 VanDerWaalsContact C-N 3.3Å |
| 2098 | R | 73.4 | Confident | 78.9 | Confident | 155 Ų | 155 | 47.1 Ų | 47.1 | 59% | 0.585 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14.9 | 173 | -70.6 | -177 | -93.8 | 175 | -4.9 | 112.9 | R2094 N2095 M2096 | R2094-R2098 WeakPolarHBondContact O-CG 3.25Å; R2094-R2098 PolarHBondContact O-N 2.73Å; R2094-R2098 PolarHBondContact O-NE 3.21Å; N2095-R2098 WeakPolarHBondContact O-CB 3.46Å; N2095-R2098 PolarHBondContact O-N 3.21Å; N2095-R2098 PolarHBondContact OD1-NH2 3.11Å; M2096-R2098 PolarHBondContact O-N 3.22Å |
| 2099 | T | 70.1 | Confident | 78.6 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -84.2 | 147.7 | 179.6 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | N2095 M2096 T2097 G2101 G2102 | N2095-T2099 PolarHBondContact O-OG1 3.45Å; M2096-T2099 WeakPolarHBondContact O-CB 3.17Å; M2096-T2099 PolarHBondContact O-N 3.13Å; T2097-T2099 VanDerWaalsContact C-N 3.3Å; T2099-G2101 PolarHBondContact O-N 3.06Å; T2099-G2102 PolarHBondContact O-N 3.46Å |
| 2100 | A | 63.1 | Low | 78.5 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 77% | 0.769 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 92.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q2105 | A2100-Q2105 PolarHBondContact O-NE2 3.17Š|
| 2101 | G | 63.1 | Low | 78.4 | Confident | 60 Ų | 60 | 41.9 Ų | 41.9 | 62% | 0.619 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 129.1 | -8.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T2099 | T2099-G2101 PolarHBondContact O-N 3.06Š|
| 2102 | G | 74.1 | Confident | 78.2 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | 59.5 | -162.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M2096 T2099 G2104 Q2105 | M2096-G2102 WeakPolarHBondContact O-CA 3.22Å; T2099-G2102 PolarHBondContact O-N 3.46Å; G2102-G2104 PolarHBondContact O-N 2.9Å; G2102-Q2105 PolarHBondContact O-N 3.02Å; G2102-Q2105 VanDerWaalsContact O-N 3.11Å |
| 2103 | V | 76.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -59.5 | -20.7 | 179.7 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | I2093 M2096 Q2105 L2106 Y2180 L2183 | I2093-V2103 HydrophobicContact CG2-CG2 4.12Å; M2096-V2103 HydrophobicContact CB-CG2 4.31Å; V2103-Q2105 PolarHBondContact O-N 2.86Å; V2103-L2106 HydrophobicContact CG1-CD1 4.06Å; V2103-L2106 PolarHBondContact O-N 3.41Å; V2103-Y2180 HydrophobicContact CB-CD1 4.35Å; V2103-Y2180 HydrophobicContact CB-CE1 4.09Å; V2103-Y2180 HydrophobicContact CG1-CD1 4.2Å; V2103-Y2180 HydrophobicContact CG1-CE1 4.42Å; V2103-Y2180 HydrophobicContact CG2-CD1 4.3Å; V2103-Y2180 HydrophobicContact CG2-CE1 4.06Å; V2103-L2183 HydrophobicContact CG1-CB 4.46Å; V2103-L2183 HydrophobicContact CG1-CD1 4.13Å; V2103-L2183 HydrophobicContact CG1-CD2 3.76Å; V2103-L2183 HydrophobicContact CG1-CG 4.35Å |
| 2104 | G | 73.9 | Confident | 77.5 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -63.1 | -19.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G2102 L2106 V2107 | G2102-G2104 PolarHBondContact O-N 2.9Å; G2104-L2106 PolarHBondContact O-N 3.17Å; G2104-V2107 PolarHBondContact O-N 3.28Å; G2104-V2107 VanDerWaalsContact O-N 3.13Å |
| 2105 | Q | 80.5 | Confident | 76.9 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -25.5 | 174.6 | -71.2 | -166.3 | -27.8 | 0 | 0 | 113.3 | L2051 A2100 G2102 V2103 V2107 N2108 A2109 | L2051-Q2105 HydrophobicContact CD1-CB 4.42Å; L2051-Q2105 HydrophobicContact CD2-CB 3.93Å; A2100-Q2105 PolarHBondContact O-NE2 3.17Å; G2102-Q2105 PolarHBondContact O-N 3.02Å; G2102-Q2105 VanDerWaalsContact O-N 3.11Å; V2103-Q2105 PolarHBondContact O-N 2.86Å; Q2105-V2107 VanDerWaalsContact C-N 3.29Å; Q2105-V2107 PolarHBondContact O-N 2.84Å; Q2105-N2108 WeakPolarHBondContact O-CB 3.33Å; Q2105-N2108 PolarHBondContact O-N 3.23Å; Q2105-N2108 VanDerWaalsContact O-N 3.17Å; Q2105-A2109 PolarHBondContact O-N 3.04Å |
| 2106 | L | 84.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 175 | -74.7 | 169.3 | 0 | 0 | 0 | 111.8 | L2051 M2096 V2103 G2104 N2108 A2109 I2110 I2169 T2173 L2176 L2183 | L2051-L2106 HydrophobicContact CD2-CD2 3.64Å; L2051-L2106 HydrophobicContact CD2-CG 3.9Å; M2096-L2106 HydrophobicContact CE-CD1 4.32Å; M2096-L2106 HydrophobicContact CE-CD2 4.14Å; M2096-L2106 HydrophobicContact CE-CG 4.49Å; M2096-L2106 HydrophobicContact SD-CD1 3.84Å; M2096-L2106 HydrophobicContact SD-CD2 4.49Å; M2096-L2106 HydrophobicContact SD-CG 4.2Å; V2103-L2106 HydrophobicContact CG1-CD1 4.06Å; V2103-L2106 PolarHBondContact O-N 3.41Å; G2104-L2106 PolarHBondContact O-N 3.17Å; L2106-N2108 VanDerWaalsContact C-N 3.31Å; L2106-N2108 PolarHBondContact O-N 2.75Å; L2106-A2109 WeakPolarHBondContact O-CB 3.09Å; L2106-A2109 PolarHBondContact O-N 2.82Å; L2106-I2110 VanDerWaalsContact O-CG1 3.28Å; L2106-I2110 WeakPolarHBondContact O-CG1 3.32Å; L2106-I2110 PolarHBondContact O-N 2.99Å; L2106-I2169 HydrophobicContact CD2-CG2 4.12Å; L2106-T2173 HydrophobicContact CB-CG2 4.04Å; L2106-T2173 HydrophobicContact CD1-CG2 4.12Å; L2106-L2176 HydrophobicContact CD1-CD1 4.08Å; L2106-L2183 HydrophobicContact CD1-CD2 4.45Å |
| 2107 | V | 81.2 | Confident | 74.7 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | G2104 Q2105 T2111 L2183 M2186 L2201 | G2104-V2107 PolarHBondContact O-N 3.28Å; G2104-V2107 VanDerWaalsContact O-N 3.13Å; Q2105-V2107 VanDerWaalsContact C-N 3.29Å; Q2105-V2107 PolarHBondContact O-N 2.84Å; V2107-T2111 WeakPolarHBondContact O-CB 3.38Å; V2107-T2111 PolarHBondContact O-N 2.66Å; V2107-T2111 PolarHBondContact O-OG1 2.87Å; V2107-L2183 HydrophobicContact CG2-CD1 4.45Å; V2107-M2186 HydrophobicContact CG2-CB 4.33Å; V2107-M2186 HydrophobicContact CG2-CE 4.27Å; V2107-L2201 HydrophobicContact CG1-CD1 4.25Å |
| 2108 | N | 80.6 | Confident | 72.8 | Confident | 112 Ų | 112 | 49 Ų | 49 | 60% | 0.599 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 174.2 | -67.2 | -10.8 | 0 | 0 | 0 | 111.5 | Q2105 L2106 T2111 S2112 | Q2105-N2108 WeakPolarHBondContact O-CB 3.33Å; Q2105-N2108 PolarHBondContact O-N 3.23Å; Q2105-N2108 VanDerWaalsContact O-N 3.17Å; L2106-N2108 VanDerWaalsContact C-N 3.31Å; L2106-N2108 PolarHBondContact O-N 2.75Å; N2108-T2111 PolarHBondContact O-N 3Å; N2108-S2112 WeakPolarHBondContact O-CB 3.47Å; N2108-S2112 PolarHBondContact O-N 3.43Å; N2108-S2112 PolarHBondContact O-OG 3.37Å |
| 2109 | A | 80.2 | Confident | 70.9 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q2105 L2106 T2111 S2112 V2113 I2169 | Q2105-A2109 PolarHBondContact O-N 3.04Å; L2106-A2109 WeakPolarHBondContact O-CB 3.09Å; L2106-A2109 PolarHBondContact O-N 2.82Å; A2109-T2111 VanDerWaalsContact C-N 3.3Å; A2109-T2111 PolarHBondContact O-N 3.22Å; A2109-S2112 WeakPolarHBondContact CA-OG 3.39Å; A2109-S2112 PolarHBondContact O-N 3.16Å; A2109-S2112 VanDerWaalsContact O-N 3.16Å; A2109-S2112 PolarHBondContact O-OG 3.32Å; A2109-V2113 WeakPolarHBondContact O-CG2 3.37Å; A2109-V2113 PolarHBondContact O-N 3.41Å; A2109-I2169 HydrophobicContact CB-CD1 4.44Å; A2109-I2169 HydrophobicContact CB-CG2 4.45Å |
| 2110 | I | 82 | Confident | 69.2 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.1 | -47.6 | 173.9 | -66.2 | 163.6 | 0 | 0 | 0 | 110.5 | L2106 S2112 V2113 F2114 I2169 Y2170 T2173 Y2204 | L2106-I2110 VanDerWaalsContact O-CG1 3.28Å; L2106-I2110 WeakPolarHBondContact O-CG1 3.32Å; L2106-I2110 PolarHBondContact O-N 2.99Å; I2110-S2112 PolarHBondContact O-N 2.79Å; I2110-V2113 PolarHBondContact O-N 3.14Å; I2110-F2114 WeakPolarHBondContact O-CB 2.97Å; I2110-F2114 PolarHBondContact O-N 3.44Å; I2110-I2169 HydrophobicContact CD1-CG2 4.25Å; I2110-I2169 HydrophobicContact CG1-CB 4.18Å; I2110-I2169 HydrophobicContact CG1-CG2 3.59Å; I2110-Y2170 HydrophobicContact CD1-CD2 4.19Å; I2110-T2173 HydrophobicContact CD1-CG2 4.45Å; I2110-Y2204 HydrophobicContact CG2-CD2 3.46Å; I2110-Y2204 VanDerWaalsContact CG2-CD2 3.46Å; I2110-Y2204 HydrophobicContact CG2-CE2 3.55Å |
| 2111 | T | 82 | Confident | 67.6 | Low | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | -179.8 | -52.9 | 0 | 0 | 0 | 0 | 112 | V2107 N2108 A2109 K2115 A2197 | V2107-T2111 WeakPolarHBondContact O-CB 3.38Å; V2107-T2111 PolarHBondContact O-N 2.66Å; V2107-T2111 PolarHBondContact O-OG1 2.87Å; N2108-T2111 PolarHBondContact O-N 3Å; A2109-T2111 VanDerWaalsContact C-N 3.3Å; A2109-T2111 PolarHBondContact O-N 3.22Å; T2111-K2115 WeakPolarHBondContact O-CG 3.46Å; T2111-K2115 PolarHBondContact O-N 2.71Å; T2111-A2197 HydrophobicContact CG2-CB 4.13Å |
| 2112 | S | 79.5 | Confident | 66 | Low | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 178.4 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | N2108 A2109 I2110 K2115 | N2108-S2112 WeakPolarHBondContact O-CB 3.47Å; N2108-S2112 PolarHBondContact O-N 3.43Å; N2108-S2112 PolarHBondContact O-OG 3.37Å; A2109-S2112 WeakPolarHBondContact CA-OG 3.39Å; A2109-S2112 PolarHBondContact O-N 3.16Å; A2109-S2112 VanDerWaalsContact O-N 3.16Å; A2109-S2112 PolarHBondContact O-OG 3.32Å; I2110-S2112 PolarHBondContact O-N 2.79Å; S2112-K2115 PolarHBondContact O-N 3.47Å |
| 2113 | V | 77 | Confident | 63.8 | Low | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.6 | -38.7 | 178.5 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | A2109 I2110 K2115 L2116 P2162 V2165 I2169 | A2109-V2113 WeakPolarHBondContact O-CG2 3.37Å; A2109-V2113 PolarHBondContact O-N 3.41Å; I2110-V2113 PolarHBondContact O-N 3.14Å; V2113-K2115 PolarHBondContact O-N 3.5Å; V2113-L2116 WeakPolarHBondContact O-CB 3.42Å; V2113-L2116 PolarHBondContact O-N 2.79Å; V2113-L2116 VanDerWaalsContact O-N 3.07Å; V2113-P2162 HydrophobicContact CG1-CB 4.12Å; V2113-P2162 WeakPolarHBondContact CG1-O 2.97Å; V2113-V2165 HydrophobicContact CG1-CB 4.15Å; V2113-V2165 HydrophobicContact CG1-CG1 4.26Å; V2113-V2165 HydrophobicContact CG2-CG1 4.1Å; V2113-I2169 HydrophobicContact CG2-CD1 4.35Å |
| 2114 | F | 79 | Confident | 61.4 | Low | 56 Ų | 56 | 68.4 Ų | 68.4 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -28.2 | 174.7 | -173.3 | -101.4 | 0 | 0 | 0 | 113.3 | I2110 L2116 P2117 N2199 A2200 F2203 Y2204 | I2110-F2114 WeakPolarHBondContact O-CB 2.97Å; I2110-F2114 PolarHBondContact O-N 3.44Å; F2114-L2116 VanDerWaalsContact C-N 3.33Å; F2114-P2117 WeakPolarHBondContact O-CD 3.34Å; F2114-N2199 HydrophobicContact CE1-CB 4.41Å; F2114-A2200 HydrophobicContact CB-CB 3.69Å; F2114-A2200 HydrophobicContact CD1-CB 3.59Å; F2114-A2200 HydrophobicContact CD2-CB 4.03Å; F2114-A2200 HydrophobicContact CE1-CB 4.21Å; F2114-A2200 HydrophobicContact CG-CB 3.48Å; F2114-A2200 VanDerWaalsContact CG-CB 3.48Å; F2114-F2203 HydrophobicContact CD2-CD1 4.12Å; F2114-F2203 HydrophobicContact CE2-CB 3.77Å; F2114-F2203 AromaticContact CE2-CD1 3.73Å; F2114-F2203 HydrophobicContact CE2-CD1 3.73Å; F2114-F2203 HydrophobicContact CE2-CD2 4.39Å; F2114-F2203 HydrophobicContact CE2-CE1 4.44Å; F2114-F2203 AromaticContact CE2-CG 3.7Å; F2114-F2203 HydrophobicContact CE2-CG 3.7Å; F2114-F2203 HydrophobicContact CZ-CB 4.29Å; F2114-Y2204 HydrophobicContact CB-CE2 4.13Å; F2114-Y2204 AromaticContact CD2-CE2 3.95Å; F2114-Y2204 HydrophobicContact CD2-CE2 3.95Å; F2114-Y2204 HydrophobicContact CG-CE2 4.44Å |
| 2115 | K | 71.7 | Confident | 59.1 | Low | 109 Ų | 109 | 72.2 Ų | 72.2 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.6 | 176.6 | -73 | 174.3 | 179.9 | -175.6 | 0 | 114.2 | T2111 S2112 V2113 P2117 | T2111-K2115 WeakPolarHBondContact O-CG 3.46Å; T2111-K2115 PolarHBondContact O-N 2.71Å; S2112-K2115 PolarHBondContact O-N 3.47Å; V2113-K2115 PolarHBondContact O-N 3.5Å; K2115-P2117 WeakPolarHBondContact O-CD 3.35Å |
| 2116 | L | 67.2 | Low | 56.4 | Low | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -1.9 | -170.7 | -76.9 | 168.3 | 0 | 0 | 0 | 118.7 | I2062 L2066 V2113 F2114 P2162 | I2062-L2116 HydrophobicContact CD1-CD1 4.42Å; I2062-L2116 HydrophobicContact CD1-CD2 3.42Å; I2062-L2116 VanDerWaalsContact CD1-CD2 3.42Å; I2062-L2116 HydrophobicContact CG1-CD2 4.36Å; L2066-L2116 HydrophobicContact CD2-CD1 4.05Å; V2113-L2116 WeakPolarHBondContact O-CB 3.42Å; V2113-L2116 PolarHBondContact O-N 2.79Å; V2113-L2116 VanDerWaalsContact O-N 3.07Å; F2114-L2116 VanDerWaalsContact C-N 3.33Å; L2116-P2162 HydrophobicContact CB-CB 4.4Å |
| 2117 | P | 51.2 | Low | 53.5 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 49% | 0.494 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.3 | 171.4 | -11.8 | 29.1 | 0 | 0 | 0 | 116 | F2114 K2115 | F2114-P2117 WeakPolarHBondContact O-CD 3.34Å; K2115-P2117 WeakPolarHBondContact O-CD 3.35Å |
| 2118 | E | 38.2 | Very low | 51 | Low | 153 Ų | 153 | 93.6 Ų | 93.6 | 72% | 0.715 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -81.3 | -19.5 | -173.9 | -78.4 | -178.2 | 166.4 | 0 | 0 | 114.6 | ||
| 2119 | I | 33.9 | Very low | 48.3 | Very low | 137 Ų | 137 | 97.4 Ų | 97.4 | 70% | 0.703 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -97.3 | -14.6 | -163.9 | -59.3 | 172.9 | 0 | 0 | 0 | 113.9 | T2121 | I2119-T2121 VanDerWaalsContact C-N 3.29Å; I2119-T2121 PolarHBondContact O-N 3.42Å |
| 2120 | V | 33.2 | Very low | 45.6 | Very low | 132 Ų | 132 | 105.3 Ų | 105.3 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -78.1 | -12 | -175.8 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 2121 | T | 31 | Very low | 43.1 | Very low | 106 Ų | 106 | 110.2 Ų | 110.2 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -104.9 | -11.5 | -173.6 | 44.8 | 0 | 0 | 0 | 0 | 116.1 | I2119 G2123 | I2119-T2121 VanDerWaalsContact C-N 3.29Å; I2119-T2121 PolarHBondContact O-N 3.42Å; T2121-G2123 PolarHBondContact O-N 2.76Å |
| 2122 | D | 27.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 116 Ų | 116 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 16.3 | -170.6 | -89.4 | 1.8 | 0 | 0 | 0 | 115.9 | ||
| 2123 | G | 28.4 | Very low | 38 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -23.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T2121 | T2121-G2123 PolarHBondContact O-N 2.76Š|
| 2124 | L | 26 | Very low | 35.7 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 89% | 0.885 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -154.8 | 85.6 | -167.8 | -72.6 | 168.3 | 0 | 0 | 0 | 111.4 | ||
| 2125 | A | 25.5 | Very low | 33.2 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 163.2 | 94.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2126 | S | 23.9 | Very low | 31.1 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -84.4 | 137.2 | 152.6 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2127 | Q | 24.6 | Very low | 29.3 | Very low | 187 Ų | 187 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | 83.1 | 118.1 | -175.3 | -54.1 | -178.5 | -23.6 | 0 | 0 | 111.9 | ||||
| 2128 | E | 27.2 | Very low | 28.2 | Very low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | cis | -151.5 | 152.9 | 37.2 | -108.7 | 172.4 | 164.2 | 0 | 0 | 112.9 | ||||
| 2129 | E | 24 | Very low | 27.8 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -77.4 | 127.4 | -177 | -61.5 | 170.9 | 155.5 | 0 | 0 | 112.8 | ||||
| 2130 | L | 24.9 | Very low | 27.5 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -134.2 | 147.6 | 158.2 | -102.3 | 117.5 | 0 | 0 | 0 | 111.6 | ||||
| 2131 | P | 29.5 | Very low | 27.3 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -82.6 | 161.5 | -157.5 | -5.3 | 24.6 | 0 | 0 | 0 | 114 | I2133 | P2131-I2133 PolarHBondContact O-N 3.11Š| ||
| 2132 | P | 25.6 | Very low | 27 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -80 | 119.4 | -164.5 | 32.5 | -32.3 | 0 | 0 | 0 | 111.6 | ||||
| 2133 | I | 27.9 | Very low | 27 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -110.1 | 118.1 | 166.6 | -62.6 | 173.6 | 0 | 0 | 0 | 107.6 | P2131 | P2131-I2133 PolarHBondContact O-N 3.11Š| ||
| 2134 | D | 29.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 24 | 109 | 170.6 | -71.2 | -28.2 | 0 | 0 | 0 | 118.7 | T2136 | D2134-T2136 PolarHBondContact O-N 3.48Š| ||
| 2135 | S | 26.1 | Very low | 26.9 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -52 | 90.8 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2136 | T | 28.2 | Very low | 27 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | trans | -129.9 | 128.4 | 141.9 | 44.6 | 0 | 0 | 0 | 0 | 106.5 | D2134 K2138 | D2134-T2136 PolarHBondContact O-N 3.48Å; T2136-K2138 VanDerWaalsContact C-N 3.34Å; T2136-K2138 PolarHBondContact O-N 3.2Å | ||
| 2137 | P | 28 | Very low | 27.2 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -67.2 | 97.9 | -178.3 | 27.5 | -30.7 | 0 | 0 | 0 | 107.5 | I2139 | P2137-I2139 PolarHBondContact O-N 3.23Š| ||
| 2138 | K | 28.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 106.7 | 166.1 | -76 | 177.4 | 178.6 | 172.5 | 0 | 105.6 | T2136 I2140 | T2136-K2138 VanDerWaalsContact C-N 3.34Å; T2136-K2138 PolarHBondContact O-N 3.2Å; K2138-I2140 HydrophobicContact CB-CG1 4.36Å; K2138-I2140 PolarHBondContact O-N 3.35Å | ||
| 2139 | I | 30.5 | Very low | 27.2 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | -64 | 97 | 160.7 | -62.9 | 172.7 | 0 | 0 | 0 | 104.5 | P2137 V2141 | P2137-I2139 PolarHBondContact O-N 3.23Å; I2139-V2141 VanDerWaalsContact C-N 3.32Å; I2139-V2141 HydrophobicContact CG2-CG2 4.33Å; I2139-V2141 PolarHBondContact O-N 3.07Å | ||
| 2140 | I | 26.7 | Very low | 27.3 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | -70 | 93.3 | 176.2 | -64.8 | 166.2 | 0 | 0 | 0 | 105.7 | K2138 E2142 | K2138-I2140 HydrophobicContact CB-CG1 4.36Å; K2138-I2140 PolarHBondContact O-N 3.35Å; I2140-E2142 HydrophobicContact CG2-CB 3.67Å; I2140-E2142 HydrophobicContact CG2-CG 3.38Å; I2140-E2142 PolarHBondContact O-N 3.06Å; I2140-E2142 VanDerWaalsContact O-N 3.09Å | ||
| 2141 | V | 28.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -77.4 | 80.3 | 157.1 | -177.1 | 0 | 0 | 0 | 0 | 105.3 | I2139 S2143 | I2139-V2141 VanDerWaalsContact C-N 3.32Å; I2139-V2141 HydrophobicContact CG2-CG2 4.33Å; I2139-V2141 PolarHBondContact O-N 3.07Å; V2141-S2143 VanDerWaalsContact C-N 3.29Å; V2141-S2143 PolarHBondContact O-N 3.14Å | ||
| 2142 | E | 25.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -70 | 89.5 | 172.9 | -113.2 | 170.2 | -151.1 | 0 | 0 | 108.5 | I2140 N2144 | I2140-E2142 HydrophobicContact CG2-CB 3.67Å; I2140-E2142 HydrophobicContact CG2-CG 3.38Å; I2140-E2142 PolarHBondContact O-N 3.06Å; I2140-E2142 VanDerWaalsContact O-N 3.09Å; E2142-N2144 VanDerWaalsContact C-N 3.26Å; E2142-N2144 PolarHBondContact O-N 3.34Å; E2142-N2144 VanDerWaalsContact O-N 3.16Å | ||
| 2143 | S | 27.9 | Very low | 27.2 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | trans | -80.6 | 76.1 | 163.1 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | V2141 K2145 | V2141-S2143 VanDerWaalsContact C-N 3.29Å; V2141-S2143 PolarHBondContact O-N 3.14Å; S2143-K2145 VanDerWaalsContact C-N 3.29Å; S2143-K2145 PolarHBondContact O-N 3.07Å | ||
| 2144 | N | 26.2 | Very low | 27 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -70.4 | 91.4 | 167.5 | -98.6 | -19.1 | 0 | 0 | 0 | 109 | E2142 D2146 | E2142-N2144 VanDerWaalsContact C-N 3.26Å; E2142-N2144 PolarHBondContact O-N 3.34Å; E2142-N2144 VanDerWaalsContact O-N 3.16Å; N2144-D2146 PolarHBondContact O-N 3.36Å | ||
| 2145 | K | 26.8 | Very low | 26.9 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -77 | 90.3 | 170.1 | -70 | 177.1 | 178 | 173.9 | 0 | 108.8 | S2143 | S2143-K2145 VanDerWaalsContact C-N 3.29Å; S2143-K2145 PolarHBondContact O-N 3.07Å | ||
| 2146 | D | 27.4 | Very low | 27.2 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | trans | -140.4 | 34.5 | 160.6 | -97 | -22.3 | 0 | 0 | 0 | 111.3 | N2144 | N2144-D2146 PolarHBondContact O-N 3.36Š| ||
| 2147 | V | 28.6 | Very low | 27.5 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -143.6 | 123.8 | 158 | -170.3 | 0 | 0 | 0 | 0 | 108.2 | C2149 | V2147-C2149 PolarHBondContact O-N 3.05Š|
| 2148 | N | 25 | Very low | 28.3 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 70% | 0.703 | S | S | * | * | trans | -60.5 | 88.9 | -178.9 | -169.6 | 18.3 | 0 | 0 | 0 | 110.9 | ||||
| 2149 | C | 25.4 | Very low | 29.4 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 45% | 0.446 | 70% | 0.695 | S | S | . | * | trans | -129.3 | 95 | -176 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | V2147 D2151 I2152 | V2147-C2149 PolarHBondContact O-N 3.05Å; C2149-D2151 PolarHBondContact O-N 3.24Å; C2149-I2152 HydrophobicContact CB-CD1 4.39Å; C2149-I2152 HydrophobicContact CB-CG1 4.5Å | ||
| 2150 | N | 25.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 11.6 | 163.3 | -85.4 | -23.7 | 0 | 0 | 0 | 113.2 | ||
| 2151 | D | 25.3 | Very low | 32.7 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 0.5 | -170.5 | -66.5 | -33.3 | 0 | 0 | 0 | 115.2 | C2149 | C2149-D2151 PolarHBondContact O-N 3.24Š|
| 2152 | I | 25 | Very low | 34.8 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 62% | 0.621 | 64% | 0.635 | S | S | * | * | trans | -96.6 | -3.9 | -175.8 | -54 | 177.7 | 0 | 0 | 0 | 113.6 | C2149 N2154 M2155 | C2149-I2152 HydrophobicContact CB-CD1 4.39Å; C2149-I2152 HydrophobicContact CB-CG1 4.5Å; I2152-N2154 PolarHBondContact O-N 2.92Å; I2152-M2155 PolarHBondContact O-N 3.43Å | ||
| 2153 | V | 28.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 109.4 Ų | 109.4 | 76% | 0.758 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -9.1 | 177.1 | -176.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 2154 | N | 24.6 | Very low | 39.3 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106 | 10.2 | -179.3 | -78.5 | 8.7 | 0 | 0 | 0 | 115.3 | I2152 N2156 | I2152-N2154 PolarHBondContact O-N 2.92Å; N2154-N2156 PolarHBondContact O-N 3.3Å |
| 2155 | M | 26.3 | Very low | 42 | Very low | 158 Ų | 158 | 101.3 Ų | 101.3 | 78% | 0.778 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -80.4 | 100 | 161.2 | -72.8 | -67 | -174.6 | 0 | 0 | 107.3 | I2152 G2157 | I2152-M2155 PolarHBondContact O-N 3.43Å; M2155-G2157 PolarHBondContact O-N 2.84Å |
| 2156 | N | 32.2 | Very low | 44.6 | Very low | 115 Ų | 115 | 93 Ų | 93 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | trans | -34.1 | 125 | -179.3 | -58.6 | -22 | 0 | 0 | 0 | 112 | N2154 D2158 | N2154-N2156 PolarHBondContact O-N 3.3Å; N2156-D2158 HydrophobicContact CB-CB 4.16Å; N2156-D2158 PolarHBondContact O-N 2.91Å | ||
| 2157 | G | 34.9 | Very low | 47.3 | Very low | 87 Ų | 87 | 86.1 Ų | 86.1 | 90% | 0.897 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 21.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M2155 | M2155-G2157 PolarHBondContact O-N 2.84Š|
| 2158 | D | 45 | Very low | 50 | Low | 127 Ų | 127 | 81.2 Ų | 81.2 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 0.3 | -177.2 | -66.2 | -26.8 | 0 | 0 | 0 | 112.6 | N2156 A2160 | N2156-D2158 HydrophobicContact CB-CB 4.16Å; N2156-D2158 PolarHBondContact O-N 2.91Å; D2158-A2160 PolarHBondContact O-N 3.3Å; D2158-A2160 VanDerWaalsContact O-N 3.16Å |
| 2159 | E | 51.9 | Low | 52.9 | Low | 128 Ų | 128 | 73.5 Ų | 73.5 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | trans | -70.3 | 107.9 | 178.1 | -74.7 | -154.8 | 164.9 | 0 | 0 | 111.3 | H2063 T2161 | H2063-E2159 WeakPolarHBondContact CE1-CG 3.31Å; H2063-E2159 IonicContact CE1-OE1 3.05Å; H2063-E2159 VanDerWaalsContact NE2-CA 3.27Å; H2063-E2159 WeakPolarHBondContact NE2-CA 3.36Å; H2063-E2159 WeakPolarHBondContact NE2-CB 3.5Å; H2063-E2159 WeakPolarHBondContact NE2-CG 3.39Å; H2063-E2159 IonicContact NE2-OE2 3.19Å; E2159-T2161 PolarHBondContact O-N 2.97Å | ||
| 2160 | A | 56.1 | Low | 55.8 | Low | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 40% | 0.402 | C | S | . | . | trans | -64.6 | 107.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H2063 E2067 D2158 | H2063-A2160 PolarHBondContact NE2-N 3.48Å; E2067-A2160 HydrophobicContact CB-CB 4.34Å; D2158-A2160 PolarHBondContact O-N 3.3Å; D2158-A2160 VanDerWaalsContact O-N 3.16Å | ||
| 2161 | T | 69.7 | Low | 58.7 | Low | 71 Ų | 71 | 64.9 Ų | 64.9 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | trans | -71.9 | 149 | -179.1 | 66 | 0 | 0 | 0 | 0 | 111.6 | E2159 S2163 E2164 V2165 | E2159-T2161 PolarHBondContact O-N 2.97Å; T2161-S2163 PolarHBondContact O-N 3.11Å; T2161-S2163 VanDerWaalsContact O-N 3.14Å; T2161-E2164 PolarHBondContact O-N 2.89Å; T2161-E2164 WeakPolarHBondContact OG1-CB 3.27Å; T2161-E2164 PolarHBondContact OG1-N 2.84Å; T2161-V2165 PolarHBondContact O-N 3.17Å; T2161-V2165 VanDerWaalsContact O-N 3.14Å | ||
| 2162 | P | 72.9 | Confident | 61.5 | Low | 38 Ų | 38 | 58.5 Ų | 58.5 | 25% | 0.247 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.1 | -33.7 | 172.9 | -21.5 | 29.4 | 0 | 0 | 0 | 112.2 | L2066 V2113 L2116 G2166 | L2066-P2162 HydrophobicContact CD1-CG 3.91Å; V2113-P2162 HydrophobicContact CG1-CB 4.12Å; V2113-P2162 WeakPolarHBondContact CG1-O 2.97Å; L2116-P2162 HydrophobicContact CB-CB 4.4Å; P2162-G2166 PolarHBondContact O-N 3.29Å |
| 2163 | S | 74 | Confident | 64.4 | Low | 46 Ų | 46 | 52.8 Ų | 52.8 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | T2161 G2166 H2167 | T2161-S2163 PolarHBondContact O-N 3.11Å; T2161-S2163 VanDerWaalsContact O-N 3.14Å; S2163-G2166 PolarHBondContact O-N 2.85Å; S2163-H2167 PolarHBondContact O-N 2.93Å; S2163-H2167 PolarHBondContact O-ND1 3.04Å; S2163-H2167 PolarHBondContact OG-CE1 3.36Å; S2163-H2167 PolarHBondContact OG-ND1 3.07Å |
| 2164 | E | 74.8 | Confident | 67 | Low | 59 Ų | 59 | 49.3 Ų | 49.3 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 178.1 | -171.8 | -168.5 | 161.7 | 0 | 0 | 111.4 | K2074 T2161 G2166 H2167 N2168 | K2074-E2164 WeakPolarHBondContact CE-OE1 3.39Å; K2074-E2164 IonicContact NZ-OE1 3.63Å; K2074-E2164 PolarHBondContact NZ-OE1 3.49Å; T2161-E2164 PolarHBondContact O-N 2.89Å; T2161-E2164 WeakPolarHBondContact OG1-CB 3.27Å; T2161-E2164 PolarHBondContact OG1-N 2.84Å; E2164-G2166 VanDerWaalsContact C-N 3.29Å; E2164-G2166 PolarHBondContact O-N 3.21Å; E2164-H2167 PolarHBondContact O-N 3.41Å; E2164-N2168 VanDerWaalsContact O-CG 3.28Å; E2164-N2168 PolarHBondContact O-N 3.09Å |
| 2165 | V | 81.3 | Confident | 69.7 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | L2066 K2069 V2113 T2161 N2168 I2169 | L2066-V2165 HydrophobicContact CB-CG2 4.29Å; L2066-V2165 HydrophobicContact CD2-CG2 4.25Å; L2066-V2165 WeakPolarHBondContact O-CG2 3.37Å; K2069-V2165 HydrophobicContact CB-CG1 3.89Å; V2113-V2165 HydrophobicContact CG1-CB 4.15Å; V2113-V2165 HydrophobicContact CG1-CG1 4.26Å; V2113-V2165 HydrophobicContact CG2-CG1 4.1Å; T2161-V2165 PolarHBondContact O-N 3.17Å; T2161-V2165 VanDerWaalsContact O-N 3.14Å; V2165-N2168 PolarHBondContact O-N 2.82Å; V2165-I2169 HydrophobicContact CG1-CD1 3.86Å; V2165-I2169 VanDerWaalsContact O-CG1 3.25Å; V2165-I2169 WeakPolarHBondContact O-CG1 3.48Å; V2165-I2169 PolarHBondContact O-N 2.97Å |
| 2166 | G | 82.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | P2162 S2163 E2164 Y2170 Y2204 | P2162-G2166 PolarHBondContact O-N 3.29Å; S2163-G2166 PolarHBondContact O-N 2.85Å; E2164-G2166 VanDerWaalsContact C-N 3.29Å; E2164-G2166 PolarHBondContact O-N 3.21Å; G2166-Y2170 VanDerWaalsContact O-CB 3.31Å; G2166-Y2170 WeakPolarHBondContact O-CB 3.45Å; G2166-Y2170 PolarHBondContact O-N 3.23Å; G2166-Y2204 WeakPolarHBondContact CA-OH 3.48Å |
| 2167 | H | 84.1 | Confident | 75 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 7% | 0.069 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.7 | -79.1 | 93.6 | 0 | 0 | 0 | 111.5 | S2163 E2164 I2169 Y2170 I2171 Y2204 P2226 | S2163-H2167 PolarHBondContact O-N 2.93Å; S2163-H2167 PolarHBondContact O-ND1 3.04Å; S2163-H2167 PolarHBondContact OG-CE1 3.36Å; S2163-H2167 PolarHBondContact OG-ND1 3.07Å; E2164-H2167 PolarHBondContact O-N 3.41Å; H2167-I2169 VanDerWaalsContact C-N 3.34Å; H2167-I2169 PolarHBondContact O-N 3.32Å; H2167-Y2170 PolarHBondContact O-N 3.16Å; H2167-I2171 WeakPolarHBondContact O-CB 3.49Å; H2167-I2171 WeakPolarHBondContact O-CG1 3.5Å; H2167-I2171 PolarHBondContact O-N 2.97Å; H2167-Y2204 AromaticContact CD2-CD1 3.97Å; H2167-Y2204 AromaticContact CE1-CD1 3.82Å; H2167-Y2204 AromaticContact CE1-CE1 3.91Å; H2167-Y2204 AromaticContact CG-CD1 3.98Å; H2167-Y2204 AromaticContact ND1-CD1 3.88Å; H2167-Y2204 AromaticContact ND1-CE1 3.73Å; H2167-Y2204 AromaticContact NE2-CD1 3.86Å; H2167-P2226 HydrophobicContact CB-CB 4.2Å |
| 2168 | N | 84.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 178.8 | -67.1 | -16 | 0 | 0 | 0 | 111.3 | S2070 S2073 L2077 E2164 V2165 I2171 L2172 | S2070-N2168 PolarHBondContact OG-ND2 3.47Å; S2073-N2168 WeakPolarHBondContact OG-CB 3.18Å; L2077-N2168 HydrophobicContact CD1-CB 4.14Å; E2164-N2168 VanDerWaalsContact O-CG 3.28Å; E2164-N2168 PolarHBondContact O-N 3.09Å; V2165-N2168 PolarHBondContact O-N 2.82Å; N2168-I2171 PolarHBondContact O-N 3.13Å; N2168-L2172 VanDerWaalsContact O-CB 3.31Å; N2168-L2172 WeakPolarHBondContact O-CB 3.34Å; N2168-L2172 PolarHBondContact O-N 3.32Å |
| 2169 | I | 85.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.1 | -61 | 169.3 | 0 | 0 | 0 | 110.9 | V2050 L2106 A2109 I2110 V2113 V2165 H2167 L2172 T2173 | V2050-I2169 HydrophobicContact CG1-CD1 4.14Å; V2050-I2169 HydrophobicContact CG1-CG1 3.99Å; L2106-I2169 HydrophobicContact CD2-CG2 4.12Å; A2109-I2169 HydrophobicContact CB-CD1 4.44Å; A2109-I2169 HydrophobicContact CB-CG2 4.45Å; I2110-I2169 HydrophobicContact CD1-CG2 4.25Å; I2110-I2169 HydrophobicContact CG1-CB 4.18Å; I2110-I2169 HydrophobicContact CG1-CG2 3.59Å; V2113-I2169 HydrophobicContact CG2-CD1 4.35Å; V2165-I2169 HydrophobicContact CG1-CD1 3.86Å; V2165-I2169 VanDerWaalsContact O-CG1 3.25Å; V2165-I2169 WeakPolarHBondContact O-CG1 3.48Å; V2165-I2169 PolarHBondContact O-N 2.97Å; H2167-I2169 VanDerWaalsContact C-N 3.34Å; H2167-I2169 PolarHBondContact O-N 3.32Å; I2169-L2172 PolarHBondContact O-N 2.93Å; I2169-T2173 WeakPolarHBondContact O-CB 3.47Å; I2169-T2173 PolarHBondContact O-N 3.1Å; I2169-T2173 PolarHBondContact O-OG1 2.88Å |
| 2170 | Y | 87.2 | Confident | 80.2 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.3 | -178.9 | -88.1 | 0 | 0 | 0 | 111.8 | I2110 G2166 H2167 T2173 H2174 L2187 L2201 Y2204 A2205 T2208 | I2110-Y2170 HydrophobicContact CD1-CD2 4.19Å; G2166-Y2170 VanDerWaalsContact O-CB 3.31Å; G2166-Y2170 WeakPolarHBondContact O-CB 3.45Å; G2166-Y2170 PolarHBondContact O-N 3.23Å; H2167-Y2170 PolarHBondContact O-N 3.16Å; Y2170-T2173 PolarHBondContact O-N 2.64Å; Y2170-H2174 WeakPolarHBondContact O-CB 3.21Å; Y2170-H2174 PolarHBondContact O-N 3.43Å; Y2170-L2187 HydrophobicContact CD2-CD2 4.21Å; Y2170-L2187 HydrophobicContact CE2-CD2 3.84Å; Y2170-L2201 HydrophobicContact CD2-CD2 4.44Å; Y2170-L2201 HydrophobicContact CE2-CD2 4.23Å; Y2170-Y2204 HydrophobicContact CD2-CG 4.45Å; Y2170-Y2204 HydrophobicContact CG-CG 4.41Å; Y2170-A2205 WeakPolarHBondContact OH-CA 3.26Å; Y2170-A2205 WeakPolarHBondContact OH-CB 3.15Å; Y2170-T2208 HydrophobicContact CD1-CG2 3.83Å; Y2170-T2208 HydrophobicContact CE1-CG2 4.12Å; Y2170-T2208 WeakPolarHBondContact CE1-OG1 3.38Å |
| 2171 | I | 85.4 | Confident | 81.2 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 176.6 | -66.5 | 167.3 | 0 | 0 | 0 | 110.3 | L2077 H2167 N2168 T2173 H2174 Q2175 T2208 I2224 | L2077-I2171 HydrophobicContact CD2-CB 4.42Å; L2077-I2171 HydrophobicContact CD2-CG2 3.85Å; H2167-I2171 WeakPolarHBondContact O-CB 3.49Å; H2167-I2171 WeakPolarHBondContact O-CG1 3.5Å; H2167-I2171 PolarHBondContact O-N 2.97Å; N2168-I2171 PolarHBondContact O-N 3.13Å; I2171-T2173 VanDerWaalsContact C-N 3.32Å; I2171-T2173 PolarHBondContact O-N 3.31Å; I2171-H2174 WeakPolarHBondContact O-CB 3.33Å; I2171-H2174 PolarHBondContact O-N 3.17Å; I2171-Q2175 PolarHBondContact O-N 3.41Å; I2171-T2208 HydrophobicContact CG1-CG2 4.25Å; I2171-I2224 HydrophobicContact CG1-CG2 4.07Å; I2171-I2224 HydrophobicContact CG2-CB 4.16Å; I2171-I2224 HydrophobicContact CG2-CG2 4.06Å |
| 2172 | L | 84.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -47.5 | 175.2 | 176.6 | 66.8 | 0 | 0 | 0 | 111.2 | L2076 L2077 L2080 N2168 I2169 H2174 Q2175 L2176 | L2076-L2172 HydrophobicContact CB-CD1 3.87Å; L2076-L2172 HydrophobicContact CB-CD2 3.99Å; L2076-L2172 HydrophobicContact CD1-CD2 3.77Å; L2077-L2172 HydrophobicContact CD2-CB 3.9Å; L2077-L2172 HydrophobicContact CD2-CD1 4.23Å; L2077-L2172 HydrophobicContact CG-CB 4.3Å; L2080-L2172 HydrophobicContact CD1-CD1 3.5Å; N2168-L2172 VanDerWaalsContact O-CB 3.31Å; N2168-L2172 WeakPolarHBondContact O-CB 3.34Å; N2168-L2172 PolarHBondContact O-N 3.32Å; I2169-L2172 PolarHBondContact O-N 2.93Å; L2172-H2174 VanDerWaalsContact C-N 3.31Å; L2172-H2174 PolarHBondContact O-N 2.83Å; L2172-Q2175 PolarHBondContact O-N 3.27Å; L2172-L2176 HydrophobicContact CD1-CD1 4.34Å; L2172-L2176 HydrophobicContact CD1-CG 4.5Å; L2172-L2176 HydrophobicContact CG-CD1 4.25Å; L2172-L2176 WeakPolarHBondContact O-CG 3.39Å; L2172-L2176 PolarHBondContact O-N 2.96Å |
| 2173 | T | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | L2106 I2110 I2169 Y2170 I2171 S2177 L2183 L2187 | L2106-T2173 HydrophobicContact CB-CG2 4.04Å; L2106-T2173 HydrophobicContact CD1-CG2 4.12Å; I2110-T2173 HydrophobicContact CD1-CG2 4.45Å; I2169-T2173 WeakPolarHBondContact O-CB 3.47Å; I2169-T2173 PolarHBondContact O-N 3.1Å; I2169-T2173 PolarHBondContact O-OG1 2.88Å; Y2170-T2173 PolarHBondContact O-N 2.64Å; I2171-T2173 VanDerWaalsContact C-N 3.32Å; I2171-T2173 PolarHBondContact O-N 3.31Å; T2173-S2177 WeakPolarHBondContact O-CB 2.88Å; T2173-S2177 PolarHBondContact O-N 2.64Å; T2173-L2183 HydrophobicContact CG2-CD1 3.72Å; T2173-L2183 HydrophobicContact CG2-CD2 3.75Å; T2173-L2183 HydrophobicContact CG2-CG 3.93Å; T2173-L2183 WeakPolarHBondContact O-CD2 3.2Å; T2173-L2187 HydrophobicContact CG2-CD1 4.1Å; T2173-L2187 HydrophobicContact CG2-CD2 3.81Å; T2173-L2187 HydrophobicContact CG2-CG 4.1Å |
| 2174 | H | 83.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.241 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 176.8 | -166.7 | 97.3 | 0 | 0 | 0 | 111.9 | Y2170 I2171 L2172 S2177 I2224 | Y2170-H2174 WeakPolarHBondContact O-CB 3.21Å; Y2170-H2174 PolarHBondContact O-N 3.43Å; I2171-H2174 WeakPolarHBondContact O-CB 3.33Å; I2171-H2174 PolarHBondContact O-N 3.17Å; L2172-H2174 VanDerWaalsContact C-N 3.31Å; L2172-H2174 PolarHBondContact O-N 2.83Å; H2174-S2177 WeakPolarHBondContact O-CB 3.41Å; H2174-S2177 PolarHBondContact O-N 3.17Å; H2174-S2177 PolarHBondContact O-OG 3.36Å; H2174-I2224 VanDerWaalsContact CD2-CD1 3.47Å; H2174-I2224 WeakPolarHBondContact CD2-CD1 3.46Å |
| 2175 | Q | 82.2 | Confident | 82.3 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 174.8 | -75.5 | -173.7 | -20.3 | 0 | 0 | 111.5 | I2171 L2172 S2177 R2178 I2224 | I2171-Q2175 PolarHBondContact O-N 3.41Å; L2172-Q2175 PolarHBondContact O-N 3.27Å; Q2175-S2177 PolarHBondContact O-N 3.41Å; Q2175-R2178 WeakPolarHBondContact O-CB 2.99Å; Q2175-R2178 WeakPolarHBondContact O-CG 3.48Å; Q2175-R2178 PolarHBondContact O-N 2.89Å; Q2175-R2178 VanDerWaalsContact O-N 3.13Å; Q2175-I2224 HydrophobicContact CG-CD1 3.78Å |
| 2176 | L | 85.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -30.3 | 177.3 | -69.2 | 176.8 | 0 | 0 | 0 | 113 | L2080 A2089 I2092 I2093 M2096 L2106 L2172 R2178 H2179 Y2180 L2183 | L2080-L2176 HydrophobicContact CD1-CD2 3.65Å; L2080-L2176 HydrophobicContact CD1-CG 4.06Å; L2080-L2176 HydrophobicContact CD2-CD2 4.43Å; A2089-L2176 HydrophobicContact CB-CD2 4.05Å; I2092-L2176 HydrophobicContact CG2-CD1 4.14Å; I2092-L2176 HydrophobicContact CG2-CD2 4.33Å; I2093-L2176 HydrophobicContact CD1-CD2 4.22Å; I2093-L2176 HydrophobicContact CG1-CD2 4.07Å; M2096-L2176 HydrophobicContact CE-CD1 4.31Å; M2096-L2176 HydrophobicContact SD-CD1 4.29Å; L2106-L2176 HydrophobicContact CD1-CD1 4.08Å; L2172-L2176 HydrophobicContact CD1-CD1 4.34Å; L2172-L2176 HydrophobicContact CD1-CG 4.5Å; L2172-L2176 HydrophobicContact CG-CD1 4.25Å; L2172-L2176 WeakPolarHBondContact O-CG 3.39Å; L2172-L2176 PolarHBondContact O-N 2.96Å; L2176-R2178 PolarHBondContact O-N 3.44Å; L2176-R2178 VanDerWaalsContact O-N 3.16Å; L2176-H2179 PolarHBondContact O-N 2.94Å; L2176-H2179 VanDerWaalsContact O-N 3.09Å; L2176-Y2180 PolarHBondContact O-N 3.47Å; L2176-L2183 HydrophobicContact CB-CD2 4.15Å |
| 2177 | S | 83.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.6 | 178.6 | 83.1 | 0 | 0 | 0 | 0 | 114.1 | T2173 H2174 Q2175 H2179 Y2180 | T2173-S2177 WeakPolarHBondContact O-CB 2.88Å; T2173-S2177 PolarHBondContact O-N 2.64Å; H2174-S2177 WeakPolarHBondContact O-CB 3.41Å; H2174-S2177 PolarHBondContact O-N 3.17Å; H2174-S2177 PolarHBondContact O-OG 3.36Å; Q2175-S2177 PolarHBondContact O-N 3.41Å; S2177-H2179 VanDerWaalsContact C-N 3.33Å; S2177-Y2180 CarbonylContact O-C 3.58Å |
| 2178 | R | 78.6 | Confident | 81.8 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.8 | 173.7 | -64.7 | 178 | 172.9 | 159.8 | -0.7 | 111.9 | Q2175 L2176 | Q2175-R2178 WeakPolarHBondContact O-CB 2.99Å; Q2175-R2178 WeakPolarHBondContact O-CG 3.48Å; Q2175-R2178 PolarHBondContact O-N 2.89Å; Q2175-R2178 VanDerWaalsContact O-N 3.13Å; L2176-R2178 PolarHBondContact O-N 3.44Å; L2176-R2178 VanDerWaalsContact O-N 3.16Å |
| 2179 | H | 79.8 | Confident | 81 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -17.1 | -179.6 | -61.6 | -87.1 | 0 | 0 | 0 | 112.6 | D2085 A2089 I2093 L2176 S2177 | D2085-H2179 IonicContact OD1-NE2 2.69Å; A2089-H2179 HydrophobicContact CB-CB 4.4Å; I2093-H2179 HydrophobicContact CD1-CB 4.02Å; L2176-H2179 PolarHBondContact O-N 2.94Å; L2176-H2179 VanDerWaalsContact O-N 3.09Å; S2177-H2179 VanDerWaalsContact C-N 3.33Å |
| 2180 | Y | 82.8 | Confident | 80.2 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | trans | -126.7 | 90.8 | -179.7 | -168 | -119.8 | 0 | 0 | 0 | 112.6 | I2093 V2103 L2176 S2177 P2182 L2183 | I2093-Y2180 HydrophobicContact CG2-CD2 4.29Å; I2093-Y2180 HydrophobicContact CG2-CG 4.37Å; V2103-Y2180 HydrophobicContact CB-CD1 4.35Å; V2103-Y2180 HydrophobicContact CB-CE1 4.09Å; V2103-Y2180 HydrophobicContact CG1-CD1 4.2Å; V2103-Y2180 HydrophobicContact CG1-CE1 4.42Å; V2103-Y2180 HydrophobicContact CG2-CD1 4.3Å; V2103-Y2180 HydrophobicContact CG2-CE1 4.06Å; L2176-Y2180 PolarHBondContact O-N 3.47Å; S2177-Y2180 CarbonylContact O-C 3.58Å; Y2180-P2182 HydrophobicContact CD1-CB 4.33Å; Y2180-P2182 HydrophobicContact CD1-CG 4.45Å; Y2180-P2182 HydrophobicContact CD2-CG 4.3Å; Y2180-P2182 HydrophobicContact CE1-CB 3.73Å; Y2180-P2182 HydrophobicContact CE1-CG 3.98Å; Y2180-P2182 HydrophobicContact CE2-CB 4.47Å; Y2180-P2182 HydrophobicContact CE2-CG 3.8Å; Y2180-L2183 HydrophobicContact CD1-CB 3.6Å; Y2180-L2183 HydrophobicContact CE1-CB 4.28Å; Y2180-L2183 PolarHBondContact O-N 3.2Å; Y2180-L2183 VanDerWaalsContact O-N 3.09Å | ||
| 2181 | P | 77.1 | Confident | 79.4 | Confident | 87 Ų | 87 | 57 Ų | 57 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -52.9 | -35.1 | -177.4 | -25.4 | 32.2 | 0 | 0 | 0 | 116.6 | L2183 R2184 K2185 | P2181-L2183 VanDerWaalsContact C-N 3.33Å; P2181-L2183 PolarHBondContact O-N 2.76Å; P2181-R2184 WeakPolarHBondContact O-CB 3.28Å; P2181-R2184 PolarHBondContact O-N 2.97Å; P2181-K2185 PolarHBondContact O-N 3.47Å |
| 2182 | P | 78.3 | Confident | 78.7 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 176.4 | -24.7 | 35.3 | 0 | 0 | 0 | 113.1 | Y2180 R2184 K2185 M2186 | Y2180-P2182 HydrophobicContact CD1-CB 4.33Å; Y2180-P2182 HydrophobicContact CD1-CG 4.45Å; Y2180-P2182 HydrophobicContact CD2-CG 4.3Å; Y2180-P2182 HydrophobicContact CE1-CB 3.73Å; Y2180-P2182 HydrophobicContact CE1-CG 3.98Å; Y2180-P2182 HydrophobicContact CE2-CB 4.47Å; Y2180-P2182 HydrophobicContact CE2-CG 3.8Å; P2182-R2184 VanDerWaalsContact C-N 3.3Å; P2182-R2184 PolarHBondContact O-N 3.05Å; P2182-K2185 WeakPolarHBondContact O-CB 3.31Å; P2182-K2185 PolarHBondContact O-N 3.02Å; P2182-M2186 PolarHBondContact O-N 2.83Å |
| 2183 | L | 80.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.1 | 179.5 | 67 | 0 | 0 | 0 | 111.7 | V2103 L2106 V2107 T2173 L2176 Y2180 P2181 K2185 M2186 L2187 | V2103-L2183 HydrophobicContact CG1-CB 4.46Å; V2103-L2183 HydrophobicContact CG1-CD1 4.13Å; V2103-L2183 HydrophobicContact CG1-CD2 3.76Å; V2103-L2183 HydrophobicContact CG1-CG 4.35Å; L2106-L2183 HydrophobicContact CD1-CD2 4.45Å; V2107-L2183 HydrophobicContact CG2-CD1 4.45Å; T2173-L2183 HydrophobicContact CG2-CD1 3.72Å; T2173-L2183 HydrophobicContact CG2-CD2 3.75Å; T2173-L2183 HydrophobicContact CG2-CG 3.93Å; T2173-L2183 WeakPolarHBondContact O-CD2 3.2Å; L2176-L2183 HydrophobicContact CB-CD2 4.15Å; Y2180-L2183 HydrophobicContact CD1-CB 3.6Å; Y2180-L2183 HydrophobicContact CE1-CB 4.28Å; Y2180-L2183 PolarHBondContact O-N 3.2Å; Y2180-L2183 VanDerWaalsContact O-N 3.09Å; P2181-L2183 VanDerWaalsContact C-N 3.33Å; P2181-L2183 PolarHBondContact O-N 2.76Å; L2183-K2185 PolarHBondContact O-N 3.45Å; L2183-M2186 WeakPolarHBondContact O-CB 3.46Å; L2183-M2186 PolarHBondContact O-N 2.9Å; L2183-L2187 HydrophobicContact CG-CD1 4.46Å; L2183-L2187 PolarHBondContact O-N 3.4Å |
| 2184 | R | 77.5 | Confident | 77.2 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60 | -35.5 | 173.8 | -154.9 | 176.2 | -169.9 | -174.1 | 3.7 | 112.3 | P2181 P2182 | P2181-R2184 WeakPolarHBondContact O-CB 3.28Å; P2181-R2184 PolarHBondContact O-N 2.97Å; P2182-R2184 VanDerWaalsContact C-N 3.3Å; P2182-R2184 PolarHBondContact O-N 3.05Å |
| 2185 | K | 78.5 | Confident | 76.8 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.2 | -33.4 | 172.5 | -66.2 | -176.5 | 179.5 | -179.7 | 0 | 112.5 | P2181 P2182 L2183 N2191 | P2181-K2185 PolarHBondContact O-N 3.47Å; P2182-K2185 WeakPolarHBondContact O-CB 3.31Å; P2182-K2185 PolarHBondContact O-N 3.02Å; L2183-K2185 PolarHBondContact O-N 3.45Å; K2185-N2191 PolarHBondContact O-ND2 2.89Å |
| 2186 | M | 80.7 | Confident | 76.5 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.1 | -31.6 | 179 | -63.7 | 178.5 | 69.9 | 0 | 0 | 113.1 | V2107 P2182 L2183 N2188 | V2107-M2186 HydrophobicContact CG2-CB 4.33Å; V2107-M2186 HydrophobicContact CG2-CE 4.27Å; P2182-M2186 PolarHBondContact O-N 2.83Å; L2183-M2186 WeakPolarHBondContact O-CB 3.46Å; L2183-M2186 PolarHBondContact O-N 2.9Å; M2186-N2188 VanDerWaalsContact C-N 3.27Å; M2186-N2188 PolarHBondContact O-N 2.8Å |
| 2187 | L | 79.9 | Confident | 76.1 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.3 | -21.9 | 176.6 | -80.6 | 164.8 | 0 | 0 | 0 | 113.5 | Y2170 T2173 L2183 A2189 L2201 | Y2170-L2187 HydrophobicContact CD2-CD2 4.21Å; Y2170-L2187 HydrophobicContact CE2-CD2 3.84Å; T2173-L2187 HydrophobicContact CG2-CD1 4.1Å; T2173-L2187 HydrophobicContact CG2-CD2 3.81Å; T2173-L2187 HydrophobicContact CG2-CG 4.1Å; L2183-L2187 HydrophobicContact CG-CD1 4.46Å; L2183-L2187 PolarHBondContact O-N 3.4Å; L2187-A2189 PolarHBondContact O-N 2.72Å; L2187-A2189 VanDerWaalsContact O-N 3.08Å; L2187-L2201 HydrophobicContact CD2-CD2 4.1Å |
| 2188 | N | 76.1 | Confident | 75.9 | Confident | 100 Ų | 100 | 78.8 Ų | 78.8 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -66.6 | 110.1 | 173.8 | -78.7 | -11 | 0 | 0 | 0 | 109.3 | M2186 G2190 N2191 | M2186-N2188 VanDerWaalsContact C-N 3.27Å; M2186-N2188 PolarHBondContact O-N 2.8Å; N2188-G2190 PolarHBondContact O-N 2.94Å; N2188-N2191 PolarHBondContact O-N 3.42Å |
| 2189 | A | 68.6 | Low | 75.9 | Confident | 26 Ų | 26 | 78.4 Ų | 78.4 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -51.9 | -30.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2187 N2191 A2192 R2198 L2201 K2202 | L2187-A2189 PolarHBondContact O-N 2.72Å; L2187-A2189 VanDerWaalsContact O-N 3.08Å; A2189-N2191 PolarHBondContact O-N 2.79Å; A2189-A2192 PolarHBondContact O-N 3.3Å; A2189-R2198 HydrophobicContact CB-CG 4.27Å; A2189-R2198 VanDerWaalsContact O-CG 3.32Å; A2189-R2198 WeakPolarHBondContact O-CG 3.12Å; A2189-L2201 HydrophobicContact CB-CB 4.14Å; A2189-K2202 HydrophobicContact CB-CB 4.39Å |
| 2190 | G | 68.1 | Low | 75.8 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -61.1 | -22.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N2188 | N2188-G2190 PolarHBondContact O-N 2.94Š|
| 2191 | N | 70.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 71 Ų | 71 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -96.8 | -5.1 | -179.8 | -66.6 | -19.9 | 0 | 0 | 0 | 113.6 | K2185 N2188 A2189 M2193 | K2185-N2191 PolarHBondContact O-ND2 2.89Å; N2188-N2191 PolarHBondContact O-N 3.42Å; A2189-N2191 PolarHBondContact O-N 2.79Å; N2191-M2193 PolarHBondContact O-N 3.34Å |
| 2192 | A | 71.2 | Confident | 76 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | trans | -68.9 | 131.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A2189 A2197 R2198 L2201 | A2189-A2192 PolarHBondContact O-N 3.3Å; A2192-A2197 HydrophobicContact CB-CB 4.24Å; A2192-R2198 HydrophobicContact CB-CB 4.05Å; A2192-R2198 PolarHBondContact O-NH2 3.09Å; A2192-L2201 HydrophobicContact CB-CD1 4.13Å | ||
| 2193 | M | 65.4 | Low | 76.2 | Confident | 175 Ų | 175 | 71.8 Ų | 71.8 | 86% | 0.862 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71 | -40.7 | -179.5 | -65.3 | -72.1 | -77.3 | 0 | 0 | 111.8 | N2191 | N2191-M2193 PolarHBondContact O-N 3.34Š|
| 2194 | D | 73.1 | Confident | 76.3 | Confident | 103 Ų | 103 | 72 Ų | 72 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -95.5 | 136.7 | -175.7 | -63.5 | -16.5 | 0 | 0 | 0 | 111.5 | T2196 A2197 R2198 | D2194-T2196 PolarHBondContact O-N 2.89Å; D2194-A2197 HydrophobicContact CB-CB 4.06Å; D2194-A2197 PolarHBondContact O-N 2.93Å; D2194-A2197 VanDerWaalsContact O-N 3.09Å; D2194-R2198 PolarHBondContact O-N 3.22Å |
| 2195 | D | 76 | Confident | 76.4 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.3 | -36.8 | 176.2 | -70.8 | -21.3 | 0 | 0 | 0 | 112 | R2198 N2199 | D2195-R2198 WeakPolarHBondContact O-CB 3.36Å; D2195-R2198 PolarHBondContact O-N 3.18Å; D2195-R2198 IonicContact OD1-CZ 3.56Å; D2195-R2198 IonicContact OD1-NH1 3.89Å; D2195-R2198 PolarHBondContact OD1-NH1 3.4Å; D2195-R2198 IonicContact OD1-NH2 2.82Å; D2195-N2199 WeakPolarHBondContact O-CB 3.39Å; D2195-N2199 PolarHBondContact O-N 3Å; D2195-N2199 PolarHBondContact O-ND2 2.89Å; D2195-N2199 PolarHBondContact O-OD1 3.19Å |
| 2196 | T | 75.1 | Confident | 76.3 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.2 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | D2194 R2198 N2199 A2200 | D2194-T2196 PolarHBondContact O-N 2.89Å; T2196-R2198 VanDerWaalsContact C-N 3.33Å; T2196-N2199 PolarHBondContact O-N 3.36Å; T2196-A2200 WeakPolarHBondContact O-CB 3.37Å; T2196-A2200 PolarHBondContact O-N 3.32Å |
| 2197 | A | 76.6 | Confident | 76.2 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T2111 A2192 D2194 A2200 L2201 | T2111-A2197 HydrophobicContact CG2-CB 4.13Å; A2192-A2197 HydrophobicContact CB-CB 4.24Å; D2194-A2197 HydrophobicContact CB-CB 4.06Å; D2194-A2197 PolarHBondContact O-N 2.93Å; D2194-A2197 VanDerWaalsContact O-N 3.09Å; A2197-A2200 PolarHBondContact O-N 3.16Å; A2197-L2201 VanDerWaalsContact O-CB 3.31Å; A2197-L2201 WeakPolarHBondContact O-CB 3.48Å; A2197-L2201 VanDerWaalsContact O-CG 3.25Å; A2197-L2201 WeakPolarHBondContact O-CG 3.08Å; A2197-L2201 PolarHBondContact O-N 3.41Å |
| 2198 | R | 78.6 | Confident | 76.4 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 174 | -170.1 | 170.6 | -45.7 | 112.6 | 8.2 | 111.7 | A2189 A2192 D2194 D2195 T2196 K2202 | A2189-R2198 HydrophobicContact CB-CG 4.27Å; A2189-R2198 VanDerWaalsContact O-CG 3.32Å; A2189-R2198 WeakPolarHBondContact O-CG 3.12Å; A2192-R2198 HydrophobicContact CB-CB 4.05Å; A2192-R2198 PolarHBondContact O-NH2 3.09Å; D2194-R2198 PolarHBondContact O-N 3.22Å; D2195-R2198 WeakPolarHBondContact O-CB 3.36Å; D2195-R2198 PolarHBondContact O-N 3.18Å; D2195-R2198 IonicContact OD1-CZ 3.56Å; D2195-R2198 IonicContact OD1-NH1 3.89Å; D2195-R2198 PolarHBondContact OD1-NH1 3.4Å; D2195-R2198 IonicContact OD1-NH2 2.82Å; T2196-R2198 VanDerWaalsContact C-N 3.33Å; R2198-K2202 WeakPolarHBondContact O-CB 3.28Å; R2198-K2202 PolarHBondContact O-N 2.99Å |
| 2199 | N | 79 | Confident | 76.7 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 177.7 | -69.7 | -13.9 | 0 | 0 | 0 | 111.8 | F2114 D2195 T2196 K2202 F2203 | F2114-N2199 HydrophobicContact CE1-CB 4.41Å; D2195-N2199 WeakPolarHBondContact O-CB 3.39Å; D2195-N2199 PolarHBondContact O-N 3Å; D2195-N2199 PolarHBondContact O-ND2 2.89Å; D2195-N2199 PolarHBondContact O-OD1 3.19Å; T2196-N2199 PolarHBondContact O-N 3.36Å; N2199-K2202 PolarHBondContact O-N 2.87Å; N2199-F2203 VanDerWaalsContact O-CB 3.28Å; N2199-F2203 WeakPolarHBondContact O-CB 3.41Å; N2199-F2203 PolarHBondContact O-N 2.95Å |
| 2200 | A | 79 | Confident | 77.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -51 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F2114 T2196 A2197 K2202 F2203 Y2204 | F2114-A2200 HydrophobicContact CB-CB 3.69Å; F2114-A2200 HydrophobicContact CD1-CB 3.59Å; F2114-A2200 HydrophobicContact CD2-CB 4.03Å; F2114-A2200 HydrophobicContact CE1-CB 4.21Å; F2114-A2200 HydrophobicContact CG-CB 3.48Å; F2114-A2200 VanDerWaalsContact CG-CB 3.48Å; T2196-A2200 WeakPolarHBondContact O-CB 3.37Å; T2196-A2200 PolarHBondContact O-N 3.32Å; A2197-A2200 PolarHBondContact O-N 3.16Å; A2200-K2202 VanDerWaalsContact C-N 3.33Å; A2200-K2202 PolarHBondContact O-N 3.25Å; A2200-F2203 PolarHBondContact O-N 2.81Å; A2200-Y2204 WeakPolarHBondContact O-CD2 3.36Å; A2200-Y2204 PolarHBondContact O-N 3.34Å |
| 2201 | L | 82.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 178.4 | -72.3 | 173.1 | 0 | 0 | 0 | 111.7 | V2107 Y2170 L2187 A2189 A2192 A2197 A2205 | V2107-L2201 HydrophobicContact CG1-CD1 4.25Å; Y2170-L2201 HydrophobicContact CD2-CD2 4.44Å; Y2170-L2201 HydrophobicContact CE2-CD2 4.23Å; L2187-L2201 HydrophobicContact CD2-CD2 4.1Å; A2189-L2201 HydrophobicContact CB-CB 4.14Å; A2192-L2201 HydrophobicContact CB-CD1 4.13Å; A2197-L2201 VanDerWaalsContact O-CB 3.31Å; A2197-L2201 WeakPolarHBondContact O-CB 3.48Å; A2197-L2201 VanDerWaalsContact O-CG 3.25Å; A2197-L2201 WeakPolarHBondContact O-CG 3.08Å; A2197-L2201 PolarHBondContact O-N 3.41Å; L2201-A2205 WeakPolarHBondContact O-CB 3.32Å; L2201-A2205 PolarHBondContact O-N 3.27Å |
| 2202 | K | 80.8 | Confident | 79.3 | Confident | 112 Ų | 112 | 52.9 Ų | 52.9 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176 | -170.9 | 178.5 | 176.9 | -174.2 | 0 | 111.4 | A2189 R2198 N2199 A2200 A2205 E2206 | A2189-K2202 HydrophobicContact CB-CB 4.39Å; R2198-K2202 WeakPolarHBondContact O-CB 3.28Å; R2198-K2202 PolarHBondContact O-N 2.99Å; N2199-K2202 PolarHBondContact O-N 2.87Å; A2200-K2202 VanDerWaalsContact C-N 3.33Å; A2200-K2202 PolarHBondContact O-N 3.25Å; K2202-A2205 PolarHBondContact O-N 2.94Å; K2202-E2206 WeakPolarHBondContact CE-OE1 3.36Å; K2202-E2206 WeakPolarHBondContact O-CB 3.15Å; K2202-E2206 WeakPolarHBondContact O-CG 3.37Å; K2202-E2206 PolarHBondContact O-N 3.48Å |
| 2203 | F | 83 | Confident | 80 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -54.2 | 177.5 | 174.3 | -95.9 | 0 | 0 | 0 | 112 | F2114 N2199 A2200 A2205 E2206 H2207 | F2114-F2203 HydrophobicContact CD2-CD1 4.12Å; F2114-F2203 HydrophobicContact CE2-CB 3.77Å; F2114-F2203 AromaticContact CE2-CD1 3.73Å; F2114-F2203 HydrophobicContact CE2-CD1 3.73Å; F2114-F2203 HydrophobicContact CE2-CD2 4.39Å; F2114-F2203 HydrophobicContact CE2-CE1 4.44Å; F2114-F2203 AromaticContact CE2-CG 3.7Å; F2114-F2203 HydrophobicContact CE2-CG 3.7Å; F2114-F2203 HydrophobicContact CZ-CB 4.29Å; N2199-F2203 VanDerWaalsContact O-CB 3.28Å; N2199-F2203 WeakPolarHBondContact O-CB 3.41Å; N2199-F2203 PolarHBondContact O-N 2.95Å; A2200-F2203 PolarHBondContact O-N 2.81Å; F2203-A2205 VanDerWaalsContact C-N 3.33Å; F2203-A2205 PolarHBondContact O-N 3.41Å; F2203-E2206 PolarHBondContact O-N 2.8Å; F2203-H2207 AromaticContact CD2-CE1 3.67Å; F2203-H2207 AromaticContact CD2-ND1 3.67Å; F2203-H2207 AromaticContact CE2-CE1 3.48Å; F2203-H2207 VanDerWaalsContact CE2-CE1 3.48Å; F2203-H2207 WeakPolarHBondContact CE2-CE1 3.49Å; F2203-H2207 AromaticContact CE2-ND1 3.65Å; F2203-H2207 PolarHBondContact O-N 2.89Å; F2203-H2207 PolarHBondContact O-ND1 3.15Å |
| 2204 | Y | 83.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -33.2 | -179.7 | -68.8 | -63.6 | 0 | 0 | 0 | 112.1 | I2110 F2114 G2166 H2167 Y2170 A2200 H2207 T2208 | I2110-Y2204 HydrophobicContact CG2-CD2 3.46Å; I2110-Y2204 VanDerWaalsContact CG2-CD2 3.46Å; I2110-Y2204 HydrophobicContact CG2-CE2 3.55Å; F2114-Y2204 HydrophobicContact CB-CE2 4.13Å; F2114-Y2204 AromaticContact CD2-CE2 3.95Å; F2114-Y2204 HydrophobicContact CD2-CE2 3.95Å; F2114-Y2204 HydrophobicContact CG-CE2 4.44Å; G2166-Y2204 WeakPolarHBondContact CA-OH 3.48Å; H2167-Y2204 AromaticContact CD2-CD1 3.97Å; H2167-Y2204 AromaticContact CE1-CD1 3.82Å; H2167-Y2204 AromaticContact CE1-CE1 3.91Å; H2167-Y2204 AromaticContact CG-CD1 3.98Å; H2167-Y2204 AromaticContact ND1-CD1 3.88Å; H2167-Y2204 AromaticContact ND1-CE1 3.73Å; H2167-Y2204 AromaticContact NE2-CD1 3.86Å; Y2170-Y2204 HydrophobicContact CD2-CG 4.45Å; Y2170-Y2204 HydrophobicContact CG-CG 4.41Å; A2200-Y2204 WeakPolarHBondContact O-CD2 3.36Å; A2200-Y2204 PolarHBondContact O-N 3.34Å; Y2204-H2207 PolarHBondContact O-N 2.8Å; Y2204-T2208 WeakPolarHBondContact O-CB 3.47Å; Y2204-T2208 WeakPolarHBondContact O-CG2 3.5Å; Y2204-T2208 PolarHBondContact O-N 3.44Å; Y2204-T2208 PolarHBondContact O-OG1 3.3Å |
| 2205 | A | 79.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y2170 L2201 K2202 F2203 | Y2170-A2205 WeakPolarHBondContact OH-CA 3.26Å; Y2170-A2205 WeakPolarHBondContact OH-CB 3.15Å; L2201-A2205 WeakPolarHBondContact O-CB 3.32Å; L2201-A2205 PolarHBondContact O-N 3.27Å; K2202-A2205 PolarHBondContact O-N 2.94Å; F2203-A2205 VanDerWaalsContact C-N 3.33Å; F2203-A2205 PolarHBondContact O-N 3.41Å |
| 2206 | E | 75.1 | Confident | 80.5 | Confident | 129 Ų | 129 | 38.8 Ų | 38.8 | 60% | 0.603 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -73.7 | -29.1 | 177.2 | -74.6 | 174.4 | -178.4 | 0 | 0 | 112.5 | K2202 F2203 | K2202-E2206 WeakPolarHBondContact CE-OE1 3.36Å; K2202-E2206 WeakPolarHBondContact O-CB 3.15Å; K2202-E2206 WeakPolarHBondContact O-CG 3.37Å; K2202-E2206 PolarHBondContact O-N 3.48Å; F2203-E2206 PolarHBondContact O-N 2.8Å |
| 2207 | H | 80 | Confident | 80.2 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -99.5 | 6.7 | -179.5 | -65.4 | 81.4 | 0 | 0 | 0 | 114 | F2203 Y2204 V2227 | F2203-H2207 AromaticContact CD2-CE1 3.67Å; F2203-H2207 AromaticContact CD2-ND1 3.67Å; F2203-H2207 AromaticContact CE2-CE1 3.48Å; F2203-H2207 VanDerWaalsContact CE2-CE1 3.48Å; F2203-H2207 WeakPolarHBondContact CE2-CE1 3.49Å; F2203-H2207 AromaticContact CE2-ND1 3.65Å; F2203-H2207 PolarHBondContact O-N 2.89Å; F2203-H2207 PolarHBondContact O-ND1 3.15Å; Y2204-H2207 PolarHBondContact O-N 2.8Å; H2207-V2227 PolarHBondContact O-N 2.92Å |
| 2208 | T | 82.7 | Confident | 79.9 | Confident | 22 Ų | 22 | 46 Ų | 46 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.9 | 170.9 | 48.1 | 0 | 0 | 0 | 0 | 111 | Y2170 I2171 Y2204 | Y2170-T2208 HydrophobicContact CD1-CG2 3.83Å; Y2170-T2208 HydrophobicContact CE1-CG2 4.12Å; Y2170-T2208 WeakPolarHBondContact CE1-OG1 3.38Å; I2171-T2208 HydrophobicContact CG1-CG2 4.25Å; Y2204-T2208 WeakPolarHBondContact O-CB 3.47Å; Y2204-T2208 WeakPolarHBondContact O-CG2 3.5Å; Y2204-T2208 PolarHBondContact O-N 3.44Å; Y2204-T2208 PolarHBondContact O-OG1 3.3Å |
| 2209 | A | 83.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 163.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I2224 F2225 V2227 K2558 | A2209-I2224 WeakPolarHBondContact O-CA 3.47Å; A2209-F2225 HydrophobicContact CB-CE1 3.91Å; A2209-F2225 HydrophobicContact CB-CE2 3.89Å; A2209-F2225 HydrophobicContact CB-CZ 3.5Å; A2209-F2225 PolarHBondContact N-O 3Å; A2209-F2225 PolarHBondContact O-N 2.96Å; A2209-V2227 HydrophobicContact CB-CG2 3.48Å; A2209-V2227 VanDerWaalsContact CB-CG2 3.48Å; A2209-K2558 HydrophobicContact CB-CB 4.36Å; A2209-K2558 HydrophobicContact CB-CD 4.02Å; A2209-K2558 HydrophobicContact CB-CG 4.02Å |
| 2210 | H | 86.1 | Confident | 79.4 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.8 | 169.9 | 62.6 | -91.5 | 0 | 0 | 0 | 110.2 | Q2222 I2223 I2224 K2552 K2558 | H2210-Q2222 HydrophobicContact CB-CG 4.12Å; H2210-Q2222 PolarHBondContact CD2-NE2 3.33Å; H2210-I2223 CarbonylContact C-O 3.58Å; H2210-I2223 WeakPolarHBondContact CA-O 3.35Å; H2210-I2223 WeakPolarHBondContact CB-O 3.36Å; H2210-I2224 HydrophobicContact CB-CG1 4.12Å; H2210-K2552 PolarHBondContact CE1-O 3.42Å; H2210-K2552 PolarHBondContact NE2-O 3.19Å; H2210-K2558 WeakPolarHBondContact O-CD 3.42Å |
| 2211 | I | 88.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 157.9 | 173 | 57.2 | 171.1 | 0 | 0 | 0 | 109.9 | I2213 Q2222 I2223 F2225 K2558 Y2559 F2562 W2592 | I2211-I2213 HydrophobicContact CD1-CG2 3.93Å; I2211-I2213 HydrophobicContact CG1-CG2 4.27Å; I2211-Q2222 CarbonylContact O-C 3.5Å; I2211-Q2222 WeakPolarHBondContact O-CA 3.38Å; I2211-I2223 HydrophobicContact CG1-CB 4.09Å; I2211-I2223 PolarHBondContact N-O 3.44Å; I2211-I2223 PolarHBondContact O-N 3.17Å; I2211-F2225 HydrophobicContact CB-CE1 4.49Å; I2211-F2225 HydrophobicContact CG1-CE1 4.07Å; I2211-F2225 HydrophobicContact CG2-CE1 3.98Å; I2211-F2225 HydrophobicContact CG2-CZ 4.41Å; I2211-K2558 HydrophobicContact CG2-CB 3.84Å; I2211-Y2559 HydrophobicContact CB-CD1 4.28Å; I2211-Y2559 HydrophobicContact CB-CE1 3.94Å; I2211-Y2559 HydrophobicContact CB-CE2 4.24Å; I2211-Y2559 HydrophobicContact CD1-CD1 4.34Å; I2211-Y2559 HydrophobicContact CD1-CE1 4.49Å; I2211-Y2559 HydrophobicContact CG2-CD1 4.09Å; I2211-Y2559 HydrophobicContact CG2-CD2 3.82Å; I2211-Y2559 HydrophobicContact CG2-CE1 4.16Å; I2211-Y2559 HydrophobicContact CG2-CE2 3.88Å; I2211-Y2559 HydrophobicContact CG2-CG 3.92Å; I2211-F2562 HydrophobicContact CD1-CB 3.8Å; I2211-F2562 HydrophobicContact CD1-CD1 3.43Å; I2211-F2562 VanDerWaalsContact CD1-CD1 3.43Å; I2211-F2562 HydrophobicContact CD1-CD2 4.12Å; I2211-F2562 HydrophobicContact CD1-CE1 3.97Å; I2211-F2562 HydrophobicContact CD1-CG 3.5Å; I2211-W2592 HydrophobicContact CD1-CZ3 4.39Å |
| 2212 | E | 87.2 | Confident | 79.3 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.3 | 171.1 | -66.3 | -177.6 | 175.9 | 0 | 0 | 108.6 | E2221 H2554 Y2559 P2594 T2598 M2599 | E2212-E2221 WeakPolarHBondContact CA-O 3.48Å; E2212-H2554 IonicContact OE2-CD2 3.13Å; E2212-H2554 IonicContact OE2-CE1 3.31Å; E2212-H2554 IonicContact OE2-NE2 3.39Å; E2212-H2554 PolarHBondContact OE2-NE2 2.63Å; E2212-Y2559 PolarHBondContact N-OH 2.83Å; E2212-Y2559 WeakPolarHBondContact O-CE1 3.31Å; E2212-Y2559 PolarHBondContact O-OH 3.31Å; E2212-P2594 HydrophobicContact CB-CG 4.14Å; E2212-P2594 VanDerWaalsContact O-CD 3.32Å; E2212-P2594 WeakPolarHBondContact O-CD 3.38Å; E2212-P2594 WeakPolarHBondContact O-CG 3.39Å; E2212-T2598 PolarHBondContact OE1-OG1 2.85Å; E2212-T2598 WeakPolarHBondContact OE2-CA 3.38Å; E2212-T2598 WeakPolarHBondContact OE2-CB 3.49Å; E2212-T2598 PolarHBondContact OE2-OG1 2.84Å; E2212-T2598 VanDerWaalsContact OE2-OG1 3.09Å; E2212-M2599 HydrophobicContact CG-CG 4.4Å; E2212-M2599 WeakPolarHBondContact OE1-CB 3.48Å; E2212-M2599 PolarHBondContact OE1-N 3.21Å; E2212-M2599 PolarHBondContact OE2-N 3.43Å; E2212-M2599 VanDerWaalsContact OE2-N 3.16Å |
| 2213 | I | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 158.3 | 176.2 | 65.8 | 150.9 | 0 | 0 | 0 | 111 | I2211 L2220 E2221 I2223 P2577 Y2580 V2581 W2592 | I2211-I2213 HydrophobicContact CD1-CG2 3.93Å; I2211-I2213 HydrophobicContact CG1-CG2 4.27Å; I2213-L2220 WeakPolarHBondContact O-CA 3.2Å; I2213-E2221 HydrophobicContact CG1-CB 4.15Å; I2213-E2221 PolarHBondContact N-O 3.1Å; I2213-E2221 PolarHBondContact O-N 3.32Å; I2213-I2223 HydrophobicContact CD1-CD1 3.6Å; I2213-I2223 HydrophobicContact CD1-CG1 4.2Å; I2213-I2223 HydrophobicContact CG1-CD1 3.86Å; I2213-I2223 HydrophobicContact CG1-CG1 4.11Å; I2213-I2223 HydrophobicContact CG2-CD1 3.86Å; I2213-P2577 HydrophobicContact CD1-CB 4.45Å; I2213-Y2580 HydrophobicContact CD1-CD1 4.25Å; I2213-V2581 HydrophobicContact CD1-CG2 3.94Å; I2213-V2581 HydrophobicContact CG2-CG2 4.2Å; I2213-W2592 CarbonylContact C-O 3.59Å; I2213-W2592 WeakPolarHBondContact CA-O 3.32Å; I2213-W2592 HydrophobicContact CB-CE3 4.4Å; I2213-W2592 HydrophobicContact CG2-CE3 3.77Å; I2213-W2592 HydrophobicContact CG2-CZ3 4.04Å |
| 2214 | V | 79.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.7 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | L2220 Y2580 W2592 P2594 | V2214-L2220 HydrophobicContact CG2-CD2 3.8Å; V2214-Y2580 WeakPolarHBondContact O-CE1 3.23Å; V2214-Y2580 PolarHBondContact O-OH 3.46Å; V2214-Y2580 VanDerWaalsContact O-OH 3.14Å; V2214-W2592 PolarHBondContact N-O 3.28Å; V2214-W2592 WeakPolarHBondContact O-CA 3.46Å; V2214-P2594 HydrophobicContact CG2-CB 4.03Å |
| 2215 | R | 76.4 | Confident | 79.6 | Confident | 31 Ų | 31 | 38 Ų | 38 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | trans | -85.3 | 167.9 | 173.4 | -70.3 | -99.4 | -162.2 | -164.3 | 1.4 | 111.2 | D2217 R2218 T2219 E2221 G2576 P2577 Y2580 | R2215-D2217 WeakPolarHBondContact CB-OD1 3.32Å; R2215-D2217 PolarHBondContact O-N 3.22Å; R2215-D2217 VanDerWaalsContact O-N 3.1Å; R2215-R2218 WeakPolarHBondContact O-CA 3.34Å; R2215-R2218 PolarHBondContact O-N 3.49Å; R2215-T2219 PolarHBondContact N-O 3.44Å; R2215-E2221 IonicContact CZ-OE1 2.75Å; R2215-E2221 IonicContact CZ-OE2 3.82Å; R2215-E2221 IonicContact NE-OE1 2.86Å; R2215-E2221 IonicContact NE-OE2 2.68Å; R2215-E2221 PolarHBondContact NE-OE2 3.39Å; R2215-E2221 IonicContact NH2-OE1 3.17Å; R2215-E2221 PolarHBondContact NH2-OE1 2.85Å; R2215-E2221 IonicContact NH2-OE2 2.67Å; R2215-E2221 PolarHBondContact NH2-OE2 2.77Å; R2215-G2576 PolarHBondContact NH1-O 3.39Å; R2215-G2576 VanDerWaalsContact NH1-O 3.1Å; R2215-P2577 VanDerWaalsContact NH2-CG 3.27Å; R2215-Y2580 VanDerWaalsContact C-OH 3.28Å; R2215-Y2580 WeakPolarHBondContact CA-OH 3.25Å; R2215-Y2580 HydrophobicContact CG-CE1 4.39Å | ||
| 2216 | G | 68.6 | Low | 79.8 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 69% | 0.691 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R2218 Y2580 | G2216-R2218 PolarHBondContact O-N 3.31Å; G2216-Y2580 PolarHBondContact N-OH 2.84Å |
| 2217 | D | 68.2 | Low | 80.1 | Confident | 81 Ų | 81 | 33 Ų | 33 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 8.6 | 174.6 | 66.7 | -38.5 | 0 | 0 | 0 | 114.2 | R2083 R2215 T2219 | R2083-D2217 IonicContact CZ-OD1 3.66Å; R2083-D2217 IonicContact CZ-OD2 3.44Å; R2083-D2217 IonicContact NH1-OD1 3.66Å; R2083-D2217 PolarHBondContact NH1-OD1 3.22Å; R2083-D2217 IonicContact NH1-OD2 3.79Å; R2083-D2217 PolarHBondContact NH1-OD2 3.33Å; R2083-D2217 IonicContact NH2-OD1 2.65Å; R2083-D2217 PolarHBondContact NH2-OD1 3Å; R2083-D2217 IonicContact NH2-OD2 3.12Å; R2215-D2217 WeakPolarHBondContact CB-OD1 3.32Å; R2215-D2217 PolarHBondContact O-N 3.22Å; R2215-D2217 VanDerWaalsContact O-N 3.1Å; D2217-T2219 VanDerWaalsContact C-N 3.27Å; D2217-T2219 PolarHBondContact O-N 3.44Å; D2217-T2219 PolarHBondContact OD1-OG1 2.67Å; D2217-T2219 WeakPolarHBondContact OD2-CG2 3.45Å; D2217-T2219 PolarHBondContact OD2-OG1 3.34Å |
| 2218 | R | 69.2 | Low | 80 | Confident | 143 Ų | 143 | 31.1 Ų | 31.1 | 54% | 0.54 | 17% | 0.172 | S | C | . | . | trans | 68.4 | 7.8 | 176.5 | -52.7 | -163.2 | -175 | 170.2 | -6.7 | 116.6 | R2215 G2216 R2597 | R2215-R2218 WeakPolarHBondContact O-CA 3.34Å; R2215-R2218 PolarHBondContact O-N 3.49Å; G2216-R2218 PolarHBondContact O-N 3.31Å; R2218-R2597 PolarHBondContact O-NH1 2.8Å | ||
| 2219 | T | 71.5 | Confident | 79.4 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 29% | 0.288 | 19% | 0.193 | S | C | . | . | trans | -76.6 | 151.3 | 171.9 | 61 | 0 | 0 | 0 | 0 | 111.8 | R2083 R2215 D2217 | R2083-T2219 PolarHBondContact NH1-OG1 3.28Å; R2083-T2219 PolarHBondContact NH2-OG1 2.84Å; R2215-T2219 PolarHBondContact N-O 3.44Å; D2217-T2219 VanDerWaalsContact C-N 3.27Å; D2217-T2219 PolarHBondContact O-N 3.44Å; D2217-T2219 PolarHBondContact OD1-OG1 2.67Å; D2217-T2219 WeakPolarHBondContact OD2-CG2 3.45Å; D2217-T2219 PolarHBondContact OD2-OG1 3.34Å | ||
| 2220 | L | 76.2 | Confident | 78.8 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.7 | 173.5 | -74.2 | 164.6 | 0 | 0 | 0 | 111.2 | I2213 V2214 P2594 R2597 M2599 V2602 | I2213-L2220 WeakPolarHBondContact O-CA 3.2Å; V2214-L2220 HydrophobicContact CG2-CD2 3.8Å; L2220-P2594 HydrophobicContact CD2-CB 3.65Å; L2220-R2597 HydrophobicContact CD1-CB 4.19Å; L2220-R2597 HydrophobicContact CD1-CG 4.1Å; L2220-R2597 HydrophobicContact CD2-CG 4.23Å; L2220-R2597 HydrophobicContact CG-CG 4.42Å; L2220-M2599 HydrophobicContact CB-CG 3.57Å; L2220-M2599 HydrophobicContact CB-SD 4.36Å; L2220-M2599 HydrophobicContact CD1-CG 4.05Å; L2220-M2599 HydrophobicContact CG-CG 4.37Å; L2220-V2602 HydrophobicContact CD1-CG2 4.09Å |
| 2221 | E | 77 | Confident | 78.5 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.6 | 177.3 | -172.7 | 179.5 | 144.6 | 0 | 0 | 108.9 | R2083 E2212 I2213 R2215 P2577 | R2083-E2221 IonicContact NE-OE2 3.59Å; R2083-E2221 PolarHBondContact NE-OE2 2.81Å; E2212-E2221 WeakPolarHBondContact CA-O 3.48Å; I2213-E2221 HydrophobicContact CG1-CB 4.15Å; I2213-E2221 PolarHBondContact N-O 3.1Å; I2213-E2221 PolarHBondContact O-N 3.32Å; R2215-E2221 IonicContact CZ-OE1 2.75Å; R2215-E2221 IonicContact CZ-OE2 3.82Å; R2215-E2221 IonicContact NE-OE1 2.86Å; R2215-E2221 IonicContact NE-OE2 2.68Å; R2215-E2221 PolarHBondContact NE-OE2 3.39Å; R2215-E2221 IonicContact NH2-OE1 3.17Å; R2215-E2221 PolarHBondContact NH2-OE1 2.85Å; R2215-E2221 IonicContact NH2-OE2 2.67Å; R2215-E2221 PolarHBondContact NH2-OE2 2.77Å; E2221-P2577 VanDerWaalsContact OE1-CG 3.32Å; E2221-P2577 WeakPolarHBondContact OE1-CG 3.46Å |
| 2222 | Q | 82.6 | Confident | 77.7 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.7 | -179.7 | -176.2 | -173.5 | -2.2 | 0 | 0 | 110.2 | H2210 I2211 M2599 | H2210-Q2222 HydrophobicContact CB-CG 4.12Å; H2210-Q2222 PolarHBondContact CD2-NE2 3.33Å; I2211-Q2222 CarbonylContact O-C 3.5Å; I2211-Q2222 WeakPolarHBondContact O-CA 3.38Å; Q2222-M2599 HydrophobicContact CB-SD 3.84Å |
| 2223 | I | 82.2 | Confident | 77.1 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132 | 174.5 | -58.1 | 174.5 | 0 | 0 | 0 | 108.6 | H2210 I2211 I2213 F2225 F2562 P2577 V2581 | H2210-I2223 CarbonylContact C-O 3.58Å; H2210-I2223 WeakPolarHBondContact CA-O 3.35Å; H2210-I2223 WeakPolarHBondContact CB-O 3.36Å; I2211-I2223 HydrophobicContact CG1-CB 4.09Å; I2211-I2223 PolarHBondContact N-O 3.44Å; I2211-I2223 PolarHBondContact O-N 3.17Å; I2213-I2223 HydrophobicContact CD1-CD1 3.6Å; I2213-I2223 HydrophobicContact CD1-CG1 4.2Å; I2213-I2223 HydrophobicContact CG1-CD1 3.86Å; I2213-I2223 HydrophobicContact CG1-CG1 4.11Å; I2213-I2223 HydrophobicContact CG2-CD1 3.86Å; I2223-F2225 HydrophobicContact CG2-CD1 4.37Å; I2223-F2562 HydrophobicContact CD1-CE1 4.24Å; I2223-F2562 HydrophobicContact CD1-CE2 4.42Å; I2223-F2562 HydrophobicContact CD1-CZ 3.78Å; I2223-F2562 HydrophobicContact CG2-CD2 4.5Å; I2223-F2562 HydrophobicContact CG2-CE2 3.75Å; I2223-F2562 HydrophobicContact CG2-CZ 4.16Å; I2223-P2577 HydrophobicContact CD1-CB 3.49Å; I2223-P2577 VanDerWaalsContact CD1-CB 3.49Å; I2223-P2577 HydrophobicContact CG1-CB 3.74Å; I2223-V2581 HydrophobicContact CD1-CG2 4.4Å |
| 2224 | I | 84.7 | Confident | 76.8 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.6 | 173.8 | -56.3 | 156.6 | 0 | 0 | 0 | 107 | I2171 H2174 Q2175 A2209 H2210 | I2171-I2224 HydrophobicContact CG1-CG2 4.07Å; I2171-I2224 HydrophobicContact CG2-CB 4.16Å; I2171-I2224 HydrophobicContact CG2-CG2 4.06Å; H2174-I2224 VanDerWaalsContact CD2-CD1 3.47Å; H2174-I2224 WeakPolarHBondContact CD2-CD1 3.46Å; Q2175-I2224 HydrophobicContact CG-CD1 3.78Å; A2209-I2224 WeakPolarHBondContact O-CA 3.47Å; H2210-I2224 HydrophobicContact CB-CG1 4.12Å |
| 2225 | F | 86 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.1 | -173.7 | 64.5 | -82.9 | 0 | 0 | 0 | 111.3 | A2209 I2211 I2223 K2558 F2562 L2565 | A2209-F2225 HydrophobicContact CB-CE1 3.91Å; A2209-F2225 HydrophobicContact CB-CE2 3.89Å; A2209-F2225 HydrophobicContact CB-CZ 3.5Å; A2209-F2225 PolarHBondContact N-O 3Å; A2209-F2225 PolarHBondContact O-N 2.96Å; I2211-F2225 HydrophobicContact CB-CE1 4.49Å; I2211-F2225 HydrophobicContact CG1-CE1 4.07Å; I2211-F2225 HydrophobicContact CG2-CE1 3.98Å; I2211-F2225 HydrophobicContact CG2-CZ 4.41Å; I2223-F2225 HydrophobicContact CG2-CD1 4.37Å; F2225-K2558 VanDerWaalsContact CZ-O 3.27Å; F2225-K2558 WeakPolarHBondContact CZ-O 3.32Å; F2225-F2562 HydrophobicContact CB-CD2 4.26Å; F2225-F2562 HydrophobicContact CB-CE2 4.48Å; F2225-F2562 AromaticContact CD1-CD2 3.65Å; F2225-F2562 HydrophobicContact CD1-CD2 3.65Å; F2225-F2562 HydrophobicContact CD1-CE2 4.33Å; F2225-F2562 HydrophobicContact CD1-CG 4.46Å; F2225-F2562 HydrophobicContact CD2-CD2 4.06Å; F2225-F2562 HydrophobicContact CE1-CB 4.02Å; F2225-F2562 AromaticContact CE1-CD2 3.99Å; F2225-F2562 HydrophobicContact CE1-CD2 3.99Å; F2225-F2562 HydrophobicContact CE1-CG 4.36Å; F2225-F2562 HydrophobicContact CE2-CB 4.04Å; F2225-F2562 HydrophobicContact CE2-CD2 4.35Å; F2225-F2562 AromaticContact CG-CD2 3.72Å; F2225-F2562 HydrophobicContact CG-CD2 3.72Å; F2225-F2562 HydrophobicContact CG-CE2 4.37Å; F2225-F2562 HydrophobicContact CZ-CB 3.76Å; F2225-F2562 HydrophobicContact CZ-CD2 4.33Å; F2225-L2565 HydrophobicContact CB-CD2 3.71Å; F2225-L2565 HydrophobicContact CD2-CD2 3.89Å; F2225-L2565 HydrophobicContact CG-CD2 4.12Å |
| 2226 | P | 83.6 | Confident | 76.3 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.3 | 172.2 | 31.2 | -31.8 | 0 | 0 | 0 | 109.7 | H2167 P2228 | H2167-P2226 HydrophobicContact CB-CB 4.2Å; P2226-P2228 VanDerWaalsContact O-CD 3.31Å; P2226-P2228 WeakPolarHBondContact O-CD 3.36Å |
| 2227 | V | 81.2 | Confident | 76.3 | Confident | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 119.3 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | H2207 A2209 H2229 C2231 Y2561 | H2207-V2227 PolarHBondContact O-N 2.92Å; A2209-V2227 HydrophobicContact CB-CG2 3.48Å; A2209-V2227 VanDerWaalsContact CB-CG2 3.48Å; V2227-H2229 PolarHBondContact O-N 2.66Å; V2227-C2231 HydrophobicContact CG1-CB 4.11Å; V2227-Y2561 HydrophobicContact CG1-CD2 3.87Å; V2227-Y2561 HydrophobicContact CG1-CE2 4.41Å; V2227-Y2561 HydrophobicContact CG1-CG 4.15Å; V2227-Y2561 HydrophobicContact CG2-CD2 4.44Å |
| 2228 | P | 77.7 | Confident | 76.8 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 134.1 | 177.2 | -23 | 32.5 | 0 | 0 | 0 | 110.8 | P2226 A2230 C2231 V2564 L2565 | P2226-P2228 VanDerWaalsContact O-CD 3.31Å; P2226-P2228 WeakPolarHBondContact O-CD 3.36Å; P2228-A2230 PolarHBondContact O-N 3.09Å; P2228-A2230 VanDerWaalsContact O-N 3.09Å; P2228-C2231 VanDerWaalsContact O-CB 3.26Å; P2228-C2231 WeakPolarHBondContact O-CB 3.47Å; P2228-C2231 PolarHBondContact O-N 3.23Å; P2228-V2564 HydrophobicContact CB-CG1 4.24Å; P2228-V2564 HydrophobicContact CG-CG1 4.27Å; P2228-L2565 HydrophobicContact CG-CB 3.7Å; P2228-L2565 HydrophobicContact CG-CD1 4.05Å; P2228-L2565 HydrophobicContact CG-CG 4.49Å |
| 2229 | H | 70.8 | Confident | 77.2 | Confident | 123 Ų | 123 | 45.1 Ų | 45.1 | 57% | 0.569 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -57.2 | -30.4 | 178.1 | -176.5 | -87.9 | 0 | 0 | 0 | 111.8 | V2227 C2231 T2232 | V2227-H2229 PolarHBondContact O-N 2.66Å; H2229-C2231 PolarHBondContact O-N 3.43Å; H2229-C2231 VanDerWaalsContact O-N 3.11Å; H2229-T2232 WeakPolarHBondContact O-CB 3.38Å; H2229-T2232 WeakPolarHBondContact O-CG2 3.44Å; H2229-T2232 PolarHBondContact O-N 2.78Å; H2229-T2232 PolarHBondContact O-OG1 3.07Å |
| 2230 | A | 72.2 | Confident | 77.2 | Confident | 15 Ų | 15 | 47 Ų | 47 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -55 | -29.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P2228 T2232 Y2233 I2269 | P2228-A2230 PolarHBondContact O-N 3.09Å; P2228-A2230 VanDerWaalsContact O-N 3.09Å; A2230-T2232 PolarHBondContact O-N 3.14Å; A2230-T2232 VanDerWaalsContact O-N 3.17Å; A2230-Y2233 HydrophobicContact CB-CD2 4.34Å; A2230-Y2233 WeakPolarHBondContact O-CB 3.39Å; A2230-Y2233 WeakPolarHBondContact O-CD2 3.18Å; A2230-Y2233 PolarHBondContact O-N 3.49Å; A2230-Y2233 VanDerWaalsContact O-N 3.1Å; A2230-I2269 HydrophobicContact CB-CG2 3.78Å; A2230-I2269 VanDerWaalsContact O-CG2 3.24Å; A2230-I2269 WeakPolarHBondContact O-CG2 3.47Å |
| 2231 | C | 77.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -65.9 | -16.8 | 177.8 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | V2227 P2228 H2229 Y2233 Y2561 | V2227-C2231 HydrophobicContact CG1-CB 4.11Å; P2228-C2231 VanDerWaalsContact O-CB 3.26Å; P2228-C2231 WeakPolarHBondContact O-CB 3.47Å; P2228-C2231 PolarHBondContact O-N 3.23Å; H2229-C2231 PolarHBondContact O-N 3.43Å; H2229-C2231 VanDerWaalsContact O-N 3.11Å; C2231-Y2233 VanDerWaalsContact C-N 3.26Å; C2231-Y2233 PolarHBondContact O-N 2.95Å; C2231-Y2561 HydrophobicContact CB-CD1 3.49Å; C2231-Y2561 VanDerWaalsContact CB-CD1 3.49Å; C2231-Y2561 HydrophobicContact CB-CE1 3.66Å; C2231-Y2561 HydrophobicContact CB-CG 4.09Å; C2231-Y2561 WeakPolarHBondContact SG-CD1 3.44Å |
| 2232 | T | 72.1 | Confident | 77.2 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -71.9 | -18.8 | 174 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | H2229 A2230 L2234 | H2229-T2232 WeakPolarHBondContact O-CB 3.38Å; H2229-T2232 WeakPolarHBondContact O-CG2 3.44Å; H2229-T2232 PolarHBondContact O-N 2.78Å; H2229-T2232 PolarHBondContact O-OG1 3.07Å; A2230-T2232 PolarHBondContact O-N 3.14Å; A2230-T2232 VanDerWaalsContact O-N 3.17Å; T2232-L2234 VanDerWaalsContact C-N 3.29Å |
| 2233 | Y | 75.7 | Confident | 76.8 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -76.6 | -16.2 | 178.4 | -61.7 | -59.3 | 0 | 0 | 0 | 113.3 | A2230 C2231 T2235 I2269 Q2273 R2276 | A2230-Y2233 HydrophobicContact CB-CD2 4.34Å; A2230-Y2233 WeakPolarHBondContact O-CB 3.39Å; A2230-Y2233 WeakPolarHBondContact O-CD2 3.18Å; A2230-Y2233 PolarHBondContact O-N 3.49Å; A2230-Y2233 VanDerWaalsContact O-N 3.1Å; C2231-Y2233 VanDerWaalsContact C-N 3.26Å; C2231-Y2233 PolarHBondContact O-N 2.95Å; Y2233-T2235 PolarHBondContact O-N 2.97Å; Y2233-I2269 HydrophobicContact CD2-CG2 4.48Å; Y2233-Q2273 HydrophobicContact CD2-CB 3.95Å; Y2233-Q2273 HydrophobicContact CD2-CG 4.35Å; Y2233-Q2273 HydrophobicContact CE2-CB 3.94Å; Y2233-Q2273 HydrophobicContact CE2-CG 3.83Å; Y2233-R2276 HydrophobicContact CE1-CB 4.42Å; Y2233-R2276 HydrophobicContact CE1-CG 4.44Å |
| 2234 | L | 78.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -70.1 | 119.9 | 177.5 | -176.4 | 62.3 | 0 | 0 | 0 | 110.8 | T2232 T2238 K2239 L2265 I2269 W2557 F2560 | T2232-L2234 VanDerWaalsContact C-N 3.29Å; L2234-T2238 HydrophobicContact CD1-CG2 4.08Å; L2234-K2239 HydrophobicContact CD2-CD 4.37Å; L2234-K2239 HydrophobicContact CD2-CG 3.83Å; L2234-K2239 HydrophobicContact CG-CG 4.05Å; L2234-L2265 HydrophobicContact CD1-CD2 3.7Å; L2234-L2265 HydrophobicContact CD2-CD2 4.37Å; L2234-I2269 HydrophobicContact CB-CD1 4.27Å; L2234-I2269 HydrophobicContact CB-CG1 4.1Å; L2234-W2557 HydrophobicContact CD2-CE3 4.25Å; L2234-W2557 HydrophobicContact CD2-CZ3 4.15Å; L2234-F2560 HydrophobicContact CD2-CD1 4.18Å; L2234-F2560 HydrophobicContact CD2-CE1 3.88Å |
| 2235 | T | 75.2 | Confident | 75.6 | Confident | 39 Ų | 39 | 61 Ų | 61 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | trans | -67.9 | 150.4 | -175.4 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | Y2233 E2237 T2238 K2239 E2268 | Y2233-T2235 PolarHBondContact O-N 2.97Å; T2235-E2237 VanDerWaalsContact C-N 3.26Å; T2235-E2237 PolarHBondContact O-N 3.24Å; T2235-T2238 WeakPolarHBondContact OG1-CB 3.25Å; T2235-T2238 PolarHBondContact OG1-N 2.77Å; T2235-T2238 PolarHBondContact OG1-OG1 2.94Å; T2235-K2239 WeakPolarHBondContact O-CG 3.16Å; T2235-K2239 PolarHBondContact O-N 3.27Å; T2235-E2268 PolarHBondContact OG1-OE1 3.32Å | ||
| 2236 | R | 71.8 | Confident | 75 | Confident | 191 Ų | 191 | 61.6 Ų | 61.6 | 72% | 0.721 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.3 | -35.1 | 176 | -177.6 | 176.7 | 172 | 169.4 | 0.5 | 111.8 | K2239 E2240 | R2236-K2239 WeakPolarHBondContact O-CB 3.34Å; R2236-K2239 PolarHBondContact O-N 3.48Å; R2236-E2240 HydrophobicContact CG-CG 4.45Å; R2236-E2240 IonicContact CZ-OE1 2.82Å; R2236-E2240 IonicContact NE-OE1 3.07Å; R2236-E2240 PolarHBondContact NE-OE1 3.38Å; R2236-E2240 IonicContact NH2-OE1 2.96Å; R2236-E2240 PolarHBondContact NH2-OE1 2.9Å; R2236-E2240 WeakPolarHBondContact O-CG 3.31Å; R2236-E2240 PolarHBondContact O-N 3.36Å |
| 2237 | E | 67 | Low | 74.1 | Confident | 128 Ų | 128 | 65 Ų | 65 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 179.4 | -65.6 | 160.9 | -171.8 | 0 | 0 | 111.7 | T2235 K2239 E2240 H2241 | T2235-E2237 VanDerWaalsContact C-N 3.26Å; T2235-E2237 PolarHBondContact O-N 3.24Å; E2237-K2239 VanDerWaalsContact C-N 3.29Å; E2237-K2239 PolarHBondContact O-N 3.27Å; E2237-E2240 PolarHBondContact O-N 2.91Å; E2237-H2241 WeakPolarHBondContact O-CB 3.34Å; E2237-H2241 PolarHBondContact O-N 2.92Å |
| 2238 | T | 78.8 | Confident | 73.4 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | L2234 T2235 H2241 I2242 L2265 E2268 | L2234-T2238 HydrophobicContact CD1-CG2 4.08Å; T2235-T2238 WeakPolarHBondContact OG1-CB 3.25Å; T2235-T2238 PolarHBondContact OG1-N 2.77Å; T2235-T2238 PolarHBondContact OG1-OG1 2.94Å; T2238-H2241 PolarHBondContact O-N 2.85Å; T2238-I2242 HydrophobicContact CG2-CD1 4.11Å; T2238-I2242 WeakPolarHBondContact O-CG1 3.2Å; T2238-I2242 PolarHBondContact O-N 3.21Å; T2238-L2265 HydrophobicContact CG2-CD2 3.6Å; T2238-E2268 VanDerWaalsContact CG2-OE2 3.27Å; T2238-E2268 WeakPolarHBondContact CG2-OE2 3.28Å; T2238-E2268 PolarHBondContact OG1-OE1 3.48Å; T2238-E2268 PolarHBondContact OG1-OE2 3.39Å |
| 2239 | K | 78.5 | Confident | 72.6 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -49.3 | 176.2 | -70.9 | -178.6 | -171.6 | 173.5 | 0 | 111.7 | L2234 T2235 R2236 E2237 I2242 F2243 W2557 Y2561 | L2234-K2239 HydrophobicContact CD2-CD 4.37Å; L2234-K2239 HydrophobicContact CD2-CG 3.83Å; L2234-K2239 HydrophobicContact CG-CG 4.05Å; T2235-K2239 WeakPolarHBondContact O-CG 3.16Å; T2235-K2239 PolarHBondContact O-N 3.27Å; R2236-K2239 WeakPolarHBondContact O-CB 3.34Å; R2236-K2239 PolarHBondContact O-N 3.48Å; E2237-K2239 VanDerWaalsContact C-N 3.29Å; E2237-K2239 PolarHBondContact O-N 3.27Å; K2239-I2242 PolarHBondContact O-N 2.89Å; K2239-F2243 VanDerWaalsContact O-CB 3.26Å; K2239-F2243 WeakPolarHBondContact O-CB 3.41Å; K2239-F2243 PolarHBondContact O-N 3.34Å; K2239-W2557 VanDerWaalsContact CA-CZ2 3.41Å; K2239-W2557 HydrophobicContact CB-CH2 3.69Å; K2239-W2557 HydrophobicContact CB-CZ2 3.36Å; K2239-W2557 HydrophobicContact CB-CZ3 4.38Å; K2239-W2557 HydrophobicContact CD-CD2 4.15Å; K2239-W2557 HydrophobicContact CD-CE3 4.46Å; K2239-W2557 HydrophobicContact CD-CZ2 4.4Å; K2239-W2557 HydrophobicContact CG-CD2 4.08Å; K2239-W2557 HydrophobicContact CG-CE3 4.06Å; K2239-W2557 HydrophobicContact CG-CH2 3.71Å; K2239-W2557 HydrophobicContact CG-CZ2 3.67Å; K2239-W2557 HydrophobicContact CG-CZ3 3.88Å; K2239-W2557 WeakPolarHBondContact O-CH2 3.47Å; K2239-W2557 WeakPolarHBondContact O-CZ2 3.43Å; K2239-Y2561 PolarHBondContact NZ-OH 2.78Å |
| 2240 | E | 72 | Confident | 72 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 178.1 | -72.7 | 174.9 | -177.4 | 0 | 0 | 111.5 | R2236 E2237 F2243 L2244 | R2236-E2240 HydrophobicContact CG-CG 4.45Å; R2236-E2240 IonicContact CZ-OE1 2.82Å; R2236-E2240 IonicContact NE-OE1 3.07Å; R2236-E2240 PolarHBondContact NE-OE1 3.38Å; R2236-E2240 IonicContact NH2-OE1 2.96Å; R2236-E2240 PolarHBondContact NH2-OE1 2.9Å; R2236-E2240 WeakPolarHBondContact O-CG 3.31Å; R2236-E2240 PolarHBondContact O-N 3.36Å; E2237-E2240 PolarHBondContact O-N 2.91Å; E2240-F2243 PolarHBondContact O-N 2.89Å; E2240-L2244 WeakPolarHBondContact O-CB 3.35Å; E2240-L2244 WeakPolarHBondContact O-CG 3.43Å; E2240-L2244 PolarHBondContact O-N 3.09Å |
| 2241 | H | 73.9 | Confident | 71.2 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 177.3 | 179.9 | -81.9 | 0 | 0 | 0 | 112.6 | E2237 T2238 N2245 | E2237-H2241 WeakPolarHBondContact O-CB 3.34Å; E2237-H2241 PolarHBondContact O-N 2.92Å; T2238-H2241 PolarHBondContact O-N 2.85Å; H2241-N2245 PolarHBondContact CD2-ND2 3.29Å; H2241-N2245 PolarHBondContact CE1-ND2 2.87Å; H2241-N2245 VanDerWaalsContact CE1-ND2 3.32Å; H2241-N2245 PolarHBondContact NE2-ND2 3.5Å; H2241-N2245 VanDerWaalsContact O-CB 3.22Å; H2241-N2245 WeakPolarHBondContact O-CB 3.27Å; H2241-N2245 PolarHBondContact O-N 3.41Å; H2241-N2245 PolarHBondContact O-ND2 2.89Å |
| 2242 | I | 77.8 | Confident | 70.3 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 178.7 | -69.5 | 179.1 | 0 | 0 | 0 | 110.9 | T2238 K2239 L2244 T2246 F2258 L2265 W2557 | T2238-I2242 HydrophobicContact CG2-CD1 4.11Å; T2238-I2242 WeakPolarHBondContact O-CG1 3.2Å; T2238-I2242 PolarHBondContact O-N 3.21Å; K2239-I2242 PolarHBondContact O-N 2.89Å; I2242-L2244 VanDerWaalsContact C-N 3.34Å; I2242-L2244 PolarHBondContact O-N 3.47Å; I2242-T2246 HydrophobicContact CG2-CG2 4.36Å; I2242-T2246 PolarHBondContact O-N 3.32Å; I2242-T2246 PolarHBondContact O-OG1 3.42Å; I2242-F2258 HydrophobicContact CG2-CD2 3.96Å; I2242-F2258 HydrophobicContact CG2-CE2 4.11Å; I2242-L2265 HydrophobicContact CD1-CD1 3.66Å; I2242-L2265 HydrophobicContact CD1-CD2 3.33Å; I2242-L2265 HydrophobicContact CD1-CG 3.65Å; I2242-W2557 HydrophobicContact CB-CH2 4.19Å; I2242-W2557 HydrophobicContact CG2-CH2 4.29Å |
| 2243 | F | 75.4 | Confident | 69.8 | Low | 70 Ų | 70 | 72.3 Ų | 72.3 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | -179.7 | -178.8 | -101.2 | 0 | 0 | 0 | 112.6 | K2239 E2240 R2248 I2525 M2556 W2557 | K2239-F2243 VanDerWaalsContact O-CB 3.26Å; K2239-F2243 WeakPolarHBondContact O-CB 3.41Å; K2239-F2243 PolarHBondContact O-N 3.34Å; E2240-F2243 PolarHBondContact O-N 2.89Å; F2243-R2248 VanDerWaalsContact CD2-NH2 3.33Å; F2243-R2248 VanDerWaalsContact CE2-NH2 3.25Å; F2243-R2248 PolarHBondContact O-NH2 2.98Å; F2243-I2525 HydrophobicContact CE1-CG2 3.54Å; F2243-I2525 HydrophobicContact CZ-CG2 3.7Å; F2243-M2556 HydrophobicContact CB-CE 4.23Å; F2243-M2556 HydrophobicContact CD2-CE 3.97Å; F2243-M2556 HydrophobicContact CD2-SD 4.41Å; F2243-W2557 HydrophobicContact CB-CZ2 4.49Å |
| 2244 | L | 70.1 | Confident | 69.7 | Low | 105 Ų | 105 | 72 Ų | 72 | 55% | 0.55 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82 | -31.2 | -179 | -67.1 | 171.8 | 0 | 0 | 0 | 113.5 | E2240 I2242 I2525 | E2240-L2244 WeakPolarHBondContact O-CB 3.35Å; E2240-L2244 WeakPolarHBondContact O-CG 3.43Å; E2240-L2244 PolarHBondContact O-N 3.09Å; I2242-L2244 VanDerWaalsContact C-N 3.34Å; I2242-L2244 PolarHBondContact O-N 3.47Å; L2244-I2525 HydrophobicContact CD2-CD1 4.21Å |
| 2245 | N | 71.3 | Confident | 69.4 | Low | 99 Ų | 99 | 71.9 Ų | 71.9 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -100 | -10.1 | -170.3 | -67.2 | -31.7 | 0 | 0 | 0 | 115.9 | H2241 | H2241-N2245 PolarHBondContact CD2-ND2 3.29Å; H2241-N2245 PolarHBondContact CE1-ND2 2.87Å; H2241-N2245 VanDerWaalsContact CE1-ND2 3.32Å; H2241-N2245 PolarHBondContact NE2-ND2 3.5Å; H2241-N2245 VanDerWaalsContact O-CB 3.22Å; H2241-N2245 WeakPolarHBondContact O-CB 3.27Å; H2241-N2245 PolarHBondContact O-N 3.41Å; H2241-N2245 PolarHBondContact O-ND2 2.89Å |
| 2246 | T | 72.6 | Confident | 69.3 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -66.9 | 134.7 | 176.3 | 20.6 | 0 | 0 | 0 | 0 | 110.8 | I2242 R2248 E2257 F2258 | I2242-T2246 HydrophobicContact CG2-CG2 4.36Å; I2242-T2246 PolarHBondContact O-N 3.32Å; I2242-T2246 PolarHBondContact O-OG1 3.42Å; T2246-R2248 WeakPolarHBondContact O-CG 3.32Å; T2246-R2248 PolarHBondContact O-N 3.45Å; T2246-E2257 HydrophobicContact CG2-CG 4.39Å; T2246-F2258 HydrophobicContact CG2-CB 4.47Å |
| 2247 | Q | 66.1 | Low | 69.5 | Low | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | trans | -64.1 | 129.1 | 179.1 | -77.1 | -171.4 | -45.6 | 0 | 0 | 111.3 | K2254 E2257 | Q2247-K2254 WeakPolarHBondContact O-CA 3.31Å; Q2247-K2254 WeakPolarHBondContact O-CB 3.4Å; Q2247-K2254 WeakPolarHBondContact O-CG 3.49Å; Q2247-E2257 WeakPolarHBondContact CB-OE2 3.41Å; Q2247-E2257 PolarHBondContact N-OE2 2.89Å | ||
| 2248 | R | 66.5 | Low | 70.3 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | trans | -124.7 | 11.3 | -176.4 | -57 | -169.6 | -175.8 | -160.2 | 6.9 | 114.8 | F2243 T2246 K2254 I2524 | F2243-R2248 VanDerWaalsContact CD2-NH2 3.33Å; F2243-R2248 VanDerWaalsContact CE2-NH2 3.25Å; F2243-R2248 PolarHBondContact O-NH2 2.98Å; T2246-R2248 WeakPolarHBondContact O-CG 3.32Å; T2246-R2248 PolarHBondContact O-N 3.45Å; R2248-K2254 VanDerWaalsContact C-CE 3.4Å; R2248-K2254 HydrophobicContact CB-CD 3.99Å; R2248-K2254 HydrophobicContact CG-CD 4.28Å; R2248-K2254 WeakPolarHBondContact O-CE 3.48Å; R2248-K2254 PolarHBondContact O-NZ 3.36Å; R2248-I2524 HydrophobicContact CB-CG2 3.77Å | ||
| 2249 | D | 60.8 | Low | 70.3 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -71.6 | -45.9 | 179.5 | 51.1 | -14 | 0 | 0 | 0 | 112.8 | ||
| 2250 | L | 58.2 | Low | 70.4 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -109 | 128.3 | 179.3 | -76.3 | 160 | 0 | 0 | 0 | 111.5 | G2252 S2253 K2254 | L2250-G2252 PolarHBondContact O-N 3.28Å; L2250-G2252 VanDerWaalsContact O-N 3.09Å; L2250-S2253 WeakPolarHBondContact CB-OG 3.13Å; L2250-S2253 PolarHBondContact O-N 3.43Å; L2250-K2254 WeakPolarHBondContact O-CE 3.47Å; L2250-K2254 WeakPolarHBondContact O-CG 3.44Å |
| 2251 | Q | 55.1 | Low | 70.7 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.9 | 179.4 | -146.3 | 165.5 | 17.9 | 0 | 0 | 113.3 | G2533 M2596 | Q2251-G2533 PolarHBondContact NE2-O 3.36Å; Q2251-M2596 PolarHBondContact NE2-SD 3.13Å |
| 2252 | G | 57.9 | Low | 71.2 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -17.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | L2250 P2256 | L2250-G2252 PolarHBondContact O-N 3.28Å; L2250-G2252 VanDerWaalsContact O-N 3.09Å; G2252-P2256 VanDerWaalsContact O-CD 3.23Å; G2252-P2256 WeakPolarHBondContact O-CD 3.4Å; G2252-P2256 WeakPolarHBondContact O-CG 3.5Å |
| 2253 | S | 63 | Low | 71.3 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -27.8 | -172.9 | -52.5 | 0 | 0 | 0 | 0 | 113.6 | L2250 P2256 E2257 | L2250-S2253 WeakPolarHBondContact CB-OG 3.13Å; L2250-S2253 PolarHBondContact O-N 3.43Å; S2253-P2256 WeakPolarHBondContact O-CD 3.44Å; S2253-E2257 PolarHBondContact O-N 2.86Å |
| 2254 | K | 72.3 | Confident | 71.5 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 10% | 0.1 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.2 | -51.8 | -171.2 | -28 | -172.9 | -176.3 | -170.4 | 0 | 113.4 | Q2247 R2248 L2250 E2257 F2258 | Q2247-K2254 WeakPolarHBondContact O-CA 3.31Å; Q2247-K2254 WeakPolarHBondContact O-CB 3.4Å; Q2247-K2254 WeakPolarHBondContact O-CG 3.49Å; R2248-K2254 VanDerWaalsContact C-CE 3.4Å; R2248-K2254 HydrophobicContact CB-CD 3.99Å; R2248-K2254 HydrophobicContact CG-CD 4.28Å; R2248-K2254 WeakPolarHBondContact O-CE 3.48Å; R2248-K2254 PolarHBondContact O-NZ 3.36Å; L2250-K2254 WeakPolarHBondContact O-CE 3.47Å; L2250-K2254 WeakPolarHBondContact O-CG 3.44Å; K2254-E2257 PolarHBondContact O-N 3.02Å; K2254-F2258 PolarHBondContact O-N 3.44Å; K2254-F2258 VanDerWaalsContact O-N 3.08Å |
| 2255 | V | 72.2 | Confident | 72.2 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | -176.8 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | E2257 F2258 F2259 F2593 | V2255-E2257 PolarHBondContact O-N 2.78Å; V2255-F2258 PolarHBondContact O-N 3.31Å; V2255-F2259 WeakPolarHBondContact O-CB 3.46Å; V2255-F2259 PolarHBondContact O-N 3Å; V2255-F2593 HydrophobicContact CG1-CB 4.17Å; V2255-F2593 HydrophobicContact CG1-CD1 3.81Å; V2255-F2593 HydrophobicContact CG1-CD2 3.58Å; V2255-F2593 HydrophobicContact CG1-CE1 4.02Å; V2255-F2593 HydrophobicContact CG1-CE2 3.77Å; V2255-F2593 HydrophobicContact CG1-CG 3.58Å; V2255-F2593 HydrophobicContact CG1-CZ 4Å |
| 2256 | P | 73.2 | Confident | 72.7 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 173.3 | -23.8 | 32.1 | 0 | 0 | 0 | 114.3 | G2252 S2253 F2259 N2260 L2590 | G2252-P2256 VanDerWaalsContact O-CD 3.23Å; G2252-P2256 WeakPolarHBondContact O-CD 3.4Å; G2252-P2256 WeakPolarHBondContact O-CG 3.5Å; S2253-P2256 WeakPolarHBondContact O-CD 3.44Å; P2256-F2259 PolarHBondContact O-N 3.44Å; P2256-N2260 VanDerWaalsContact O-CB 3.3Å; P2256-N2260 WeakPolarHBondContact O-CB 3.23Å; P2256-N2260 PolarHBondContact O-N 3.17Å; P2256-N2260 PolarHBondContact O-ND2 3.28Å; P2256-L2590 VanDerWaalsContact CA-CD1 3.48Å; P2256-L2590 HydrophobicContact CB-CD1 3.77Å; P2256-L2590 HydrophobicContact CG-CD1 3.79Å |
| 2257 | E | 76.6 | Confident | 72.9 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 179.2 | -167.6 | -175.3 | -171.8 | 0 | 0 | 111.7 | T2246 Q2247 S2253 K2254 V2255 F2259 N2260 S2261 | T2246-E2257 HydrophobicContact CG2-CG 4.39Å; Q2247-E2257 WeakPolarHBondContact CB-OE2 3.41Å; Q2247-E2257 PolarHBondContact N-OE2 2.89Å; S2253-E2257 PolarHBondContact O-N 2.86Å; K2254-E2257 PolarHBondContact O-N 3.02Å; V2255-E2257 PolarHBondContact O-N 2.78Å; E2257-F2259 PolarHBondContact O-N 3.27Å; E2257-N2260 PolarHBondContact O-N 3.07Å; E2257-S2261 PolarHBondContact O-N 3.07Å; E2257-S2261 VanDerWaalsContact O-N 3.15Å |
| 2258 | F | 83 | Confident | 73.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 174.3 | -178.2 | -124.3 | 0 | 0 | 0 | 111.6 | I2242 T2246 K2254 V2255 N2260 S2261 F2262 F2530 M2556 W2557 F2560 | I2242-F2258 HydrophobicContact CG2-CD2 3.96Å; I2242-F2258 HydrophobicContact CG2-CE2 4.11Å; T2246-F2258 HydrophobicContact CG2-CB 4.47Å; K2254-F2258 PolarHBondContact O-N 3.44Å; K2254-F2258 VanDerWaalsContact O-N 3.08Å; V2255-F2258 PolarHBondContact O-N 3.31Å; F2258-N2260 PolarHBondContact O-N 3.47Å; F2258-S2261 WeakPolarHBondContact O-CB 3.43Å; F2258-S2261 PolarHBondContact O-N 2.94Å; F2258-S2261 PolarHBondContact O-OG 3.09Å; F2258-F2262 AromaticContact CD1-CE1 3.51Å; F2258-F2262 HydrophobicContact CD1-CE1 3.51Å; F2258-F2262 AromaticContact CD1-CZ 3.79Å; F2258-F2262 HydrophobicContact CD1-CZ 3.79Å; F2258-F2262 HydrophobicContact CD2-CE1 4.08Å; F2258-F2262 AromaticContact CE1-CE1 3.3Å; F2258-F2262 HydrophobicContact CE1-CE1 3.3Å; F2258-F2262 AromaticContact CE1-CZ 3.48Å; F2258-F2262 HydrophobicContact CE1-CZ 3.48Å; F2258-F2262 VanDerWaalsContact CE1-CZ 3.48Å; F2258-F2262 AromaticContact CE2-CE1 3.87Å; F2258-F2262 HydrophobicContact CE2-CE1 3.87Å; F2258-F2262 AromaticContact CG-CE1 3.9Å; F2258-F2262 HydrophobicContact CG-CE1 3.9Å; F2258-F2262 AromaticContact CZ-CE1 3.47Å; F2258-F2262 HydrophobicContact CZ-CE1 3.47Å; F2258-F2262 VanDerWaalsContact CZ-CE1 3.47Å; F2258-F2262 HydrophobicContact CZ-CZ 4.03Å; F2258-F2262 WeakPolarHBondContact O-CD1 3.28Å; F2258-F2262 WeakPolarHBondContact O-CE1 3.29Å; F2258-F2530 HydrophobicContact CB-CE1 3.92Å; F2258-F2530 HydrophobicContact CB-CZ 3.81Å; F2258-F2530 AromaticContact CD1-CE1 3.75Å; F2258-F2530 HydrophobicContact CD1-CE1 3.75Å; F2258-F2530 HydrophobicContact CD1-CZ 4.4Å; F2258-F2530 HydrophobicContact CD2-CE1 4.39Å; F2258-F2530 HydrophobicContact CD2-CZ 4.34Å; F2258-F2530 HydrophobicContact CE1-CE1 4.36Å; F2258-F2530 AromaticContact CG-CE1 3.77Å; F2258-F2530 HydrophobicContact CG-CE1 3.77Å; F2258-F2530 AromaticContact CG-CZ 3.94Å; F2258-F2530 HydrophobicContact CG-CZ 3.94Å; F2258-M2556 HydrophobicContact CD1-CG 4.14Å; F2258-M2556 HydrophobicContact CD2-CG 4.35Å; F2258-M2556 HydrophobicContact CD2-SD 4.1Å; F2258-M2556 HydrophobicContact CE1-CG 3.46Å; F2258-M2556 VanDerWaalsContact CE1-CG 3.46Å; F2258-M2556 HydrophobicContact CE1-SD 4.41Å; F2258-M2556 HydrophobicContact CE2-CE 3.97Å; F2258-M2556 HydrophobicContact CE2-CG 3.74Å; F2258-M2556 HydrophobicContact CE2-SD 3.81Å; F2258-M2556 HydrophobicContact CZ-CE 4.31Å; F2258-M2556 HydrophobicContact CZ-CG 3.25Å; F2258-M2556 HydrophobicContact CZ-SD 3.98Å; F2258-W2557 HydrophobicContact CE2-CZ3 4.34Å; F2258-F2560 HydrophobicContact CZ-CB 4.22Å |
| 2259 | F | 80.6 | Confident | 74.1 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 11% | 0.114 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.8 | -170.2 | -95 | 0 | 0 | 0 | 112.3 | V2255 P2256 E2257 S2261 F2262 Y2563 I2585 L2590 W2592 F2593 | V2255-F2259 WeakPolarHBondContact O-CB 3.46Å; V2255-F2259 PolarHBondContact O-N 3Å; P2256-F2259 PolarHBondContact O-N 3.44Å; E2257-F2259 PolarHBondContact O-N 3.27Å; F2259-S2261 PolarHBondContact O-N 2.94Å; F2259-S2261 VanDerWaalsContact O-N 3.15Å; F2259-F2262 AromaticContact CD2-CD2 3.54Å; F2259-F2262 HydrophobicContact CD2-CD2 3.54Å; F2259-F2262 AromaticContact CD2-CE2 3.5Å; F2259-F2262 HydrophobicContact CD2-CE2 3.5Å; F2259-F2262 HydrophobicContact CD2-CG 4.34Å; F2259-F2262 HydrophobicContact CD2-CZ 4.26Å; F2259-F2262 AromaticContact CE2-CD2 3.66Å; F2259-F2262 HydrophobicContact CE2-CD2 3.66Å; F2259-F2262 AromaticContact CE2-CE2 3.84Å; F2259-F2262 HydrophobicContact CE2-CE2 3.84Å; F2259-F2262 HydrophobicContact CG-CD2 4.32Å; F2259-F2262 HydrophobicContact CG-CE2 4.49Å; F2259-F2262 WeakPolarHBondContact O-CB 3.32Å; F2259-F2262 WeakPolarHBondContact O-CG 3.41Å; F2259-F2262 PolarHBondContact O-N 3.12Å; F2259-Y2563 HydrophobicContact CE2-CD2 4.33Å; F2259-Y2563 HydrophobicContact CZ-CD2 4.5Å; F2259-Y2563 HydrophobicContact CZ-CE2 4.43Å; F2259-I2585 HydrophobicContact CE1-CG2 4.43Å; F2259-I2585 HydrophobicContact CE2-CD1 4.06Å; F2259-I2585 HydrophobicContact CE2-CG1 3.84Å; F2259-I2585 HydrophobicContact CZ-CB 4.1Å; F2259-I2585 HydrophobicContact CZ-CD1 4.15Å; F2259-I2585 HydrophobicContact CZ-CG1 3.63Å; F2259-I2585 HydrophobicContact CZ-CG2 3.66Å; F2259-L2590 HydrophobicContact CB-CD1 4.31Å; F2259-L2590 HydrophobicContact CB-CD2 3.95Å; F2259-L2590 HydrophobicContact CD1-CD2 3.62Å; F2259-L2590 HydrophobicContact CD2-CD2 3.82Å; F2259-L2590 HydrophobicContact CE1-CD2 4.08Å; F2259-L2590 HydrophobicContact CE2-CD2 4.27Å; F2259-L2590 HydrophobicContact CG-CD2 3.48Å; F2259-L2590 VanDerWaalsContact CG-CD2 3.48Å; F2259-L2590 HydrophobicContact CZ-CD2 4.39Å; F2259-W2592 HydrophobicContact CE2-CZ2 4.33Å; F2259-F2593 HydrophobicContact CD2-CE2 4.29Å; F2259-F2593 HydrophobicContact CD2-CZ 4.46Å |
| 2260 | N | 79.3 | Confident | 74.8 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.1 | -22.1 | 175 | -73.1 | -19.1 | 0 | 0 | 0 | 112.9 | P2256 E2257 F2258 | P2256-N2260 VanDerWaalsContact O-CB 3.3Å; P2256-N2260 WeakPolarHBondContact O-CB 3.23Å; P2256-N2260 PolarHBondContact O-N 3.17Å; P2256-N2260 PolarHBondContact O-ND2 3.28Å; E2257-N2260 PolarHBondContact O-N 3.07Å; F2258-N2260 PolarHBondContact O-N 3.47Å |
| 2261 | S | 79.5 | Confident | 75.7 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.3 | -16.6 | 174 | 81.8 | 0 | 0 | 0 | 0 | 113.8 | E2257 F2258 F2259 G2263 K2264 L2265 | E2257-S2261 PolarHBondContact O-N 3.07Å; E2257-S2261 VanDerWaalsContact O-N 3.15Å; F2258-S2261 WeakPolarHBondContact O-CB 3.43Å; F2258-S2261 PolarHBondContact O-N 2.94Å; F2258-S2261 PolarHBondContact O-OG 3.09Å; F2259-S2261 PolarHBondContact O-N 2.94Å; F2259-S2261 VanDerWaalsContact O-N 3.15Å; S2261-G2263 VanDerWaalsContact C-N 3.33Å; S2261-G2263 PolarHBondContact O-N 2.89Å; S2261-K2264 PolarHBondContact O-N 2.98Å; S2261-K2264 VanDerWaalsContact O-N 3.08Å; S2261-L2265 PolarHBondContact O-N 3.24Å |
| 2262 | F | 84.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | -173.2 | -74.5 | 8.3 | 0 | 0 | 0 | 113.1 | F2258 F2259 K2264 L2265 Y2266 F2560 Y2563 | F2258-F2262 AromaticContact CD1-CE1 3.51Å; F2258-F2262 HydrophobicContact CD1-CE1 3.51Å; F2258-F2262 AromaticContact CD1-CZ 3.79Å; F2258-F2262 HydrophobicContact CD1-CZ 3.79Å; F2258-F2262 HydrophobicContact CD2-CE1 4.08Å; F2258-F2262 AromaticContact CE1-CE1 3.3Å; F2258-F2262 HydrophobicContact CE1-CE1 3.3Å; F2258-F2262 AromaticContact CE1-CZ 3.48Å; F2258-F2262 HydrophobicContact CE1-CZ 3.48Å; F2258-F2262 VanDerWaalsContact CE1-CZ 3.48Å; F2258-F2262 AromaticContact CE2-CE1 3.87Å; F2258-F2262 HydrophobicContact CE2-CE1 3.87Å; F2258-F2262 AromaticContact CG-CE1 3.9Å; F2258-F2262 HydrophobicContact CG-CE1 3.9Å; F2258-F2262 AromaticContact CZ-CE1 3.47Å; F2258-F2262 HydrophobicContact CZ-CE1 3.47Å; F2258-F2262 VanDerWaalsContact CZ-CE1 3.47Å; F2258-F2262 HydrophobicContact CZ-CZ 4.03Å; F2258-F2262 WeakPolarHBondContact O-CD1 3.28Å; F2258-F2262 WeakPolarHBondContact O-CE1 3.29Å; F2259-F2262 AromaticContact CD2-CD2 3.54Å; F2259-F2262 HydrophobicContact CD2-CD2 3.54Å; F2259-F2262 AromaticContact CD2-CE2 3.5Å; F2259-F2262 HydrophobicContact CD2-CE2 3.5Å; F2259-F2262 HydrophobicContact CD2-CG 4.34Å; F2259-F2262 HydrophobicContact CD2-CZ 4.26Å; F2259-F2262 AromaticContact CE2-CD2 3.66Å; F2259-F2262 HydrophobicContact CE2-CD2 3.66Å; F2259-F2262 AromaticContact CE2-CE2 3.84Å; F2259-F2262 HydrophobicContact CE2-CE2 3.84Å; F2259-F2262 HydrophobicContact CG-CD2 4.32Å; F2259-F2262 HydrophobicContact CG-CE2 4.49Å; F2259-F2262 WeakPolarHBondContact O-CB 3.32Å; F2259-F2262 WeakPolarHBondContact O-CG 3.41Å; F2259-F2262 PolarHBondContact O-N 3.12Å; F2262-K2264 PolarHBondContact O-N 2.95Å; F2262-L2265 PolarHBondContact O-N 3.4Å; F2262-Y2266 WeakPolarHBondContact O-CB 3.36Å; F2262-Y2266 PolarHBondContact O-N 3.29Å; F2262-F2560 HydrophobicContact CB-CD2 4.2Å; F2262-F2560 HydrophobicContact CB-CE2 4.24Å; F2262-F2560 AromaticContact CD1-CD2 3.62Å; F2262-F2560 HydrophobicContact CD1-CD2 3.62Å; F2262-F2560 HydrophobicContact CD1-CE2 4.36Å; F2262-F2560 HydrophobicContact CD1-CG 4.48Å; F2262-F2560 HydrophobicContact CD2-CD2 4.25Å; F2262-F2560 HydrophobicContact CE1-CB 4.03Å; F2262-F2560 AromaticContact CE1-CD2 3.96Å; F2262-F2560 HydrophobicContact CE1-CD2 3.96Å; F2262-F2560 HydrophobicContact CE1-CG 4.43Å; F2262-F2560 AromaticContact CG-CD2 3.78Å; F2262-F2560 HydrophobicContact CG-CD2 3.78Å; F2262-F2560 HydrophobicContact CG-CE2 4.32Å; F2262-F2560 HydrophobicContact CZ-CB 4.1Å; F2262-F2560 HydrophobicContact CZ-CD2 4.4Å; F2262-Y2563 HydrophobicContact CB-CD1 3.81Å; F2262-Y2563 HydrophobicContact CB-CE1 3.73Å; F2262-Y2563 HydrophobicContact CB-CE2 4.48Å; F2262-Y2563 HydrophobicContact CB-CG 4.24Å; F2262-Y2563 AromaticContact CD2-CD1 3.87Å; F2262-Y2563 HydrophobicContact CD2-CD1 3.87Å; F2262-Y2563 AromaticContact CD2-CD2 3.76Å; F2262-Y2563 HydrophobicContact CD2-CD2 3.76Å; F2262-Y2563 HydrophobicContact CD2-CE1 4.48Å; F2262-Y2563 HydrophobicContact CD2-CE2 4.39Å; F2262-Y2563 AromaticContact CD2-CG 3.46Å; F2262-Y2563 HydrophobicContact CD2-CG 3.46Å; F2262-Y2563 VanDerWaalsContact CD2-CG 3.46Å; F2262-Y2563 HydrophobicContact CE2-CG 4.16Å; F2262-Y2563 HydrophobicContact CG-CD1 4.17Å; F2262-Y2563 HydrophobicContact CG-CG 4.22Å |
| 2263 | G | 79.2 | Confident | 77.4 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2261 G2267 | S2261-G2263 VanDerWaalsContact C-N 3.33Å; S2261-G2263 PolarHBondContact O-N 2.89Å; G2263-G2267 PolarHBondContact O-N 2.73Å |
| 2264 | K | 80.2 | Confident | 77.8 | Confident | 174 Ų | 174 | 51 Ų | 51 | 76% | 0.757 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.4 | -43 | 176.8 | -65 | -180 | -178.6 | 175.1 | 0 | 111.3 | S2261 F2262 G2267 E2268 | S2261-K2264 PolarHBondContact O-N 2.98Å; S2261-K2264 VanDerWaalsContact O-N 3.08Å; F2262-K2264 PolarHBondContact O-N 2.95Å; K2264-G2267 PolarHBondContact O-N 2.96Å; K2264-E2268 PolarHBondContact O-N 3.49Å |
| 2265 | L | 84.1 | Confident | 77.5 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.7 | -75.4 | 177.5 | 0 | 0 | 0 | 112.8 | L2234 T2238 I2242 S2261 F2262 E2268 I2269 W2557 F2560 | L2234-L2265 HydrophobicContact CD1-CD2 3.7Å; L2234-L2265 HydrophobicContact CD2-CD2 4.37Å; T2238-L2265 HydrophobicContact CG2-CD2 3.6Å; I2242-L2265 HydrophobicContact CD1-CD1 3.66Å; I2242-L2265 HydrophobicContact CD1-CD2 3.33Å; I2242-L2265 HydrophobicContact CD1-CG 3.65Å; S2261-L2265 PolarHBondContact O-N 3.24Å; F2262-L2265 PolarHBondContact O-N 3.4Å; L2265-E2268 PolarHBondContact O-N 2.96Å; L2265-I2269 PolarHBondContact O-N 2.95Å; L2265-W2557 HydrophobicContact CD1-CZ3 4.48Å; L2265-F2560 HydrophobicContact CB-CD2 4.33Å; L2265-F2560 HydrophobicContact CB-CE1 4.1Å; L2265-F2560 HydrophobicContact CB-CE2 3.46Å; L2265-F2560 VanDerWaalsContact CB-CE2 3.46Å; L2265-F2560 HydrophobicContact CB-CZ 3.32Å; L2265-F2560 HydrophobicContact CD1-CD1 4.45Å; L2265-F2560 HydrophobicContact CD1-CD2 4Å; L2265-F2560 HydrophobicContact CD1-CE1 4.39Å; L2265-F2560 HydrophobicContact CD1-CE2 3.95Å; L2265-F2560 HydrophobicContact CD1-CG 4.26Å; L2265-F2560 HydrophobicContact CD1-CZ 4.17Å; L2265-F2560 HydrophobicContact CG-CE2 4.38Å; L2265-F2560 HydrophobicContact CG-CZ 4.36Å |
| 2266 | Y | 81.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.4 | -177 | -102.2 | 0 | 0 | 0 | 111 | F2262 E2268 I2269 M2270 V2564 K2567 T2568 | F2262-Y2266 WeakPolarHBondContact O-CB 3.36Å; F2262-Y2266 PolarHBondContact O-N 3.29Å; Y2266-E2268 VanDerWaalsContact C-N 3.31Å; Y2266-E2268 PolarHBondContact O-N 3.44Å; Y2266-I2269 PolarHBondContact O-N 3.28Å; Y2266-M2270 HydrophobicContact CD1-CG 4.07Å; Y2266-M2270 HydrophobicContact CE1-CG 3.68Å; Y2266-M2270 HydrophobicContact CE1-SD 4.21Å; Y2266-M2270 HydrophobicContact CE2-CG 4.38Å; Y2266-M2270 HydrophobicContact CE2-SD 4.23Å; Y2266-M2270 WeakPolarHBondContact O-CG 3.45Å; Y2266-M2270 PolarHBondContact O-N 3.38Å; Y2266-V2564 HydrophobicContact CD2-CG1 4.19Å; Y2266-V2564 HydrophobicContact CD2-CG2 4.21Å; Y2266-V2564 HydrophobicContact CE2-CG1 4.13Å; Y2266-K2567 HydrophobicContact CD2-CB 4.43Å; Y2266-K2567 HydrophobicContact CE2-CB 3.93Å; Y2266-T2568 HydrophobicContact CE2-CG2 4.27Å |
| 2267 | G | 77.6 | Confident | 76.9 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G2263 K2264 M2270 W2271 | G2263-G2267 PolarHBondContact O-N 2.73Å; K2264-G2267 PolarHBondContact O-N 2.96Å; G2267-M2270 PolarHBondContact O-N 3.23Å; G2267-W2271 WeakPolarHBondContact O-CB 3.35Å; G2267-W2271 PolarHBondContact O-N 2.84Å |
| 2268 | E | 78.4 | Confident | 76.4 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 173.7 | -177.4 | -179.8 | 151.6 | 0 | 0 | 111.8 | T2235 T2238 K2264 L2265 Y2266 M2270 W2271 Q2272 | T2235-E2268 PolarHBondContact OG1-OE1 3.32Å; T2238-E2268 VanDerWaalsContact CG2-OE2 3.27Å; T2238-E2268 WeakPolarHBondContact CG2-OE2 3.28Å; T2238-E2268 PolarHBondContact OG1-OE1 3.48Å; T2238-E2268 PolarHBondContact OG1-OE2 3.39Å; K2264-E2268 PolarHBondContact O-N 3.49Å; L2265-E2268 PolarHBondContact O-N 2.96Å; Y2266-E2268 VanDerWaalsContact C-N 3.31Å; Y2266-E2268 PolarHBondContact O-N 3.44Å; E2268-M2270 PolarHBondContact O-N 2.89Å; E2268-W2271 PolarHBondContact O-N 2.99Å; E2268-Q2272 HydrophobicContact CG-CG 4.17Å; E2268-Q2272 WeakPolarHBondContact O-CB 3.42Å; E2268-Q2272 VanDerWaalsContact O-CG 3.26Å; E2268-Q2272 WeakPolarHBondContact O-CG 3.43Å; E2268-Q2272 PolarHBondContact O-N 2.81Å |
| 2269 | I | 79.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 176.7 | -75.5 | 173.1 | 0 | 0 | 0 | 110.9 | A2230 Y2233 L2234 L2265 Y2266 W2271 Q2272 Q2273 F2560 V2564 | A2230-I2269 HydrophobicContact CB-CG2 3.78Å; A2230-I2269 VanDerWaalsContact O-CG2 3.24Å; A2230-I2269 WeakPolarHBondContact O-CG2 3.47Å; Y2233-I2269 HydrophobicContact CD2-CG2 4.48Å; L2234-I2269 HydrophobicContact CB-CD1 4.27Å; L2234-I2269 HydrophobicContact CB-CG1 4.1Å; L2265-I2269 PolarHBondContact O-N 2.95Å; Y2266-I2269 PolarHBondContact O-N 3.28Å; I2269-W2271 VanDerWaalsContact C-N 3.29Å; I2269-W2271 PolarHBondContact O-N 2.87Å; I2269-Q2272 PolarHBondContact O-N 3.49Å; I2269-Q2273 WeakPolarHBondContact O-CB 3.42Å; I2269-Q2273 PolarHBondContact O-N 3.2Å; I2269-F2560 HydrophobicContact CD1-CE1 3.61Å; I2269-F2560 HydrophobicContact CD1-CZ 3.78Å; I2269-V2564 HydrophobicContact CD1-CG2 4.02Å |
| 2270 | M | 75.5 | Confident | 75.2 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 39% | 0.394 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | -179.6 | -66.9 | -55.8 | -63.7 | 0 | 0 | 111.1 | Y2266 G2267 E2268 Q2273 T2274 | Y2266-M2270 HydrophobicContact CD1-CG 4.07Å; Y2266-M2270 HydrophobicContact CE1-CG 3.68Å; Y2266-M2270 HydrophobicContact CE1-SD 4.21Å; Y2266-M2270 HydrophobicContact CE2-CG 4.38Å; Y2266-M2270 HydrophobicContact CE2-SD 4.23Å; Y2266-M2270 WeakPolarHBondContact O-CG 3.45Å; Y2266-M2270 PolarHBondContact O-N 3.38Å; G2267-M2270 PolarHBondContact O-N 3.23Å; E2268-M2270 PolarHBondContact O-N 2.89Å; M2270-Q2273 PolarHBondContact O-N 3.27Å; M2270-T2274 PolarHBondContact O-N 2.93Å; M2270-T2274 PolarHBondContact O-OG1 2.84Å |
| 2271 | W | 75.5 | Confident | 74.5 | Confident | 153 Ų | 153 | 66.9 Ų | 66.9 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.5 | -39 | 177.9 | -163.9 | 74.1 | 0 | 0 | 0 | 112.9 | G2267 E2268 I2269 Q2273 T2274 L2275 | G2267-W2271 WeakPolarHBondContact O-CB 3.35Å; G2267-W2271 PolarHBondContact O-N 2.84Å; E2268-W2271 PolarHBondContact O-N 2.99Å; I2269-W2271 VanDerWaalsContact C-N 3.29Å; I2269-W2271 PolarHBondContact O-N 2.87Å; W2271-Q2273 VanDerWaalsContact C-N 3.34Å; W2271-T2274 WeakPolarHBondContact CA-OG1 3.31Å; W2271-T2274 PolarHBondContact O-N 3.08Å; W2271-T2274 PolarHBondContact O-OG1 3.07Å; W2271-L2275 HydrophobicContact CD2-CD1 3.92Å; W2271-L2275 HydrophobicContact CD2-CG 4.31Å; W2271-L2275 HydrophobicContact CE3-CD1 3.37Å; W2271-L2275 HydrophobicContact CE3-CG 4.24Å; W2271-L2275 HydrophobicContact CH2-CD1 3.55Å; W2271-L2275 HydrophobicContact CH2-CD2 4.38Å; W2271-L2275 HydrophobicContact CH2-CG 4.31Å; W2271-L2275 HydrophobicContact CZ2-CD1 4.05Å; W2271-L2275 HydrophobicContact CZ2-CD2 4.34Å; W2271-L2275 HydrophobicContact CZ2-CG 4.35Å; W2271-L2275 HydrophobicContact CZ3-CD1 3.19Å; W2271-L2275 HydrophobicContact CZ3-CG 4.26Å; W2271-L2275 WeakPolarHBondContact O-CB 3.34Å; W2271-L2275 WeakPolarHBondContact O-CG 3.38Å; W2271-L2275 PolarHBondContact O-N 2.98Å |
| 2272 | Q | 76.1 | Confident | 73.9 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 174.6 | -75.2 | -69.2 | -16.5 | 0 | 0 | 112.1 | E2268 I2269 L2275 R2276 | E2268-Q2272 HydrophobicContact CG-CG 4.17Å; E2268-Q2272 WeakPolarHBondContact O-CB 3.42Å; E2268-Q2272 VanDerWaalsContact O-CG 3.26Å; E2268-Q2272 WeakPolarHBondContact O-CG 3.43Å; E2268-Q2272 PolarHBondContact O-N 2.81Å; I2269-Q2272 PolarHBondContact O-N 3.49Å; Q2272-L2275 PolarHBondContact O-N 3.39Å; Q2272-R2276 PolarHBondContact O-N 2.82Å |
| 2273 | Q | 72.7 | Confident | 73.1 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 171.8 | -173.5 | 175.7 | -5.7 | 0 | 0 | 110.5 | Y2233 I2269 M2270 W2271 L2275 R2276 D2277 | Y2233-Q2273 HydrophobicContact CD2-CB 3.95Å; Y2233-Q2273 HydrophobicContact CD2-CG 4.35Å; Y2233-Q2273 HydrophobicContact CE2-CB 3.94Å; Y2233-Q2273 HydrophobicContact CE2-CG 3.83Å; I2269-Q2273 WeakPolarHBondContact O-CB 3.42Å; I2269-Q2273 PolarHBondContact O-N 3.2Å; M2270-Q2273 PolarHBondContact O-N 3.27Å; W2271-Q2273 VanDerWaalsContact C-N 3.34Å; Q2273-L2275 VanDerWaalsContact C-N 3.27Å; Q2273-L2275 PolarHBondContact O-N 2.84Å; Q2273-R2276 PolarHBondContact O-N 2.99Å; Q2273-R2276 VanDerWaalsContact O-N 3.1Å; Q2273-D2277 VanDerWaalsContact O-CG 3.29Å; Q2273-D2277 PolarHBondContact O-N 2.96Å |
| 2274 | T | 71.3 | Confident | 72.3 | Confident | 80 Ų | 80 | 78.6 Ų | 78.6 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 178.6 | -3.1 | 0 | 0 | 0 | 0 | 113.1 | M2270 W2271 | M2270-T2274 PolarHBondContact O-N 2.93Å; M2270-T2274 PolarHBondContact O-OG1 2.84Å; W2271-T2274 WeakPolarHBondContact CA-OG1 3.31Å; W2271-T2274 PolarHBondContact O-N 3.08Å; W2271-T2274 PolarHBondContact O-OG1 3.07Å |
| 2275 | L | 67.3 | Low | 71.5 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.4 | -81.1 | 172.3 | 0 | 0 | 0 | 111.8 | W2271 Q2272 Q2273 D2277 N2278 L2281 Y2282 S2285 | W2271-L2275 HydrophobicContact CD2-CD1 3.92Å; W2271-L2275 HydrophobicContact CD2-CG 4.31Å; W2271-L2275 HydrophobicContact CE3-CD1 3.37Å; W2271-L2275 HydrophobicContact CE3-CG 4.24Å; W2271-L2275 HydrophobicContact CH2-CD1 3.55Å; W2271-L2275 HydrophobicContact CH2-CD2 4.38Å; W2271-L2275 HydrophobicContact CH2-CG 4.31Å; W2271-L2275 HydrophobicContact CZ2-CD1 4.05Å; W2271-L2275 HydrophobicContact CZ2-CD2 4.34Å; W2271-L2275 HydrophobicContact CZ2-CG 4.35Å; W2271-L2275 HydrophobicContact CZ3-CD1 3.19Å; W2271-L2275 HydrophobicContact CZ3-CG 4.26Å; W2271-L2275 WeakPolarHBondContact O-CB 3.34Å; W2271-L2275 WeakPolarHBondContact O-CG 3.38Å; W2271-L2275 PolarHBondContact O-N 2.98Å; Q2272-L2275 PolarHBondContact O-N 3.39Å; Q2273-L2275 VanDerWaalsContact C-N 3.27Å; Q2273-L2275 PolarHBondContact O-N 2.84Å; L2275-D2277 VanDerWaalsContact C-N 3.26Å; L2275-D2277 PolarHBondContact O-N 2.77Å; L2275-N2278 CarbonylContact O-C 3.58Å; L2275-N2278 VanDerWaalsContact O-C 3.31Å; L2275-N2278 WeakPolarHBondContact O-CA 3.49Å; L2275-N2278 PolarHBondContact O-N 3.3Å; L2275-L2281 HydrophobicContact CD2-CB 3.8Å; L2275-Y2282 WeakPolarHBondContact O-CB 3.43Å; L2275-S2285 WeakPolarHBondContact CD1-OG 3.38Å |
| 2276 | R | 67.7 | Low | 70.3 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.7 | -26.5 | -179 | -80 | -179.7 | -178.6 | -173.7 | 7.6 | 113.2 | Y2233 Q2272 Q2273 N2278 Y2282 | Y2233-R2276 HydrophobicContact CE1-CB 4.42Å; Y2233-R2276 HydrophobicContact CE1-CG 4.44Å; Q2272-R2276 PolarHBondContact O-N 2.82Å; Q2273-R2276 PolarHBondContact O-N 2.99Å; Q2273-R2276 VanDerWaalsContact O-N 3.1Å; R2276-N2278 PolarHBondContact O-N 2.96Å; R2276-Y2282 HydrophobicContact CB-CD2 4.44Å; R2276-Y2282 HydrophobicContact CG-CD1 4.29Å; R2276-Y2282 HydrophobicContact CG-CD2 3.33Å; R2276-Y2282 HydrophobicContact CG-CE1 4.37Å; R2276-Y2282 HydrophobicContact CG-CE2 3.43Å; R2276-Y2282 VanDerWaalsContact CG-CE2 3.43Å; R2276-Y2282 HydrophobicContact CG-CG 3.79Å; R2276-Y2282 PolarHBondContact NE-OH 3.36Å |
| 2277 | D | 64 | Low | 69.5 | Low | 101 Ų | 101 | 75.1 Ų | 75.1 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.8 | 170.2 | -62.9 | -22.5 | 0 | 0 | 0 | 112.3 | Q2273 L2275 | Q2273-D2277 VanDerWaalsContact O-CG 3.29Å; Q2273-D2277 PolarHBondContact O-N 2.96Å; L2275-D2277 VanDerWaalsContact C-N 3.26Å; L2275-D2277 PolarHBondContact O-N 2.77Å |
| 2278 | N | 66.8 | Low | 68.7 | Low | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -116.8 | 97.3 | 174.1 | -78.4 | -64.8 | 0 | 0 | 0 | 111.4 | L2275 R2276 L2280 L2281 Y2282 | L2275-N2278 CarbonylContact O-C 3.58Å; L2275-N2278 VanDerWaalsContact O-C 3.31Å; L2275-N2278 WeakPolarHBondContact O-CA 3.49Å; L2275-N2278 PolarHBondContact O-N 3.3Å; R2276-N2278 PolarHBondContact O-N 2.96Å; N2278-L2280 PolarHBondContact O-N 2.95Å; N2278-L2281 HydrophobicContact CB-CB 3.99Å; N2278-L2281 HydrophobicContact CB-CD1 4.03Å; N2278-L2281 HydrophobicContact CB-CG 4.28Å; N2278-L2281 PolarHBondContact O-N 2.79Å; N2278-Y2282 PolarHBondContact O-N 3.31Å |
| 2279 | P | 66.3 | Low | 67.9 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.4 | -28.5 | -172.4 | 20 | -31.1 | 0 | 0 | 0 | 114.3 | K2283 | P2279-K2283 WeakPolarHBondContact O-CB 3.39Å; P2279-K2283 WeakPolarHBondContact O-CG 3.22Å; P2279-K2283 PolarHBondContact O-N 3.23Å; P2279-K2283 VanDerWaalsContact O-N 3.1Å |
| 2280 | L | 71.9 | Confident | 67.2 | Low | 141 Ų | 141 | 82.4 Ų | 82.4 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.1 | -49.7 | 173.9 | -79.3 | 167.9 | 0 | 0 | 0 | 112.4 | N2278 Y2282 K2283 C2284 | N2278-L2280 PolarHBondContact O-N 2.95Å; L2280-Y2282 VanDerWaalsContact C-N 3.34Å; L2280-K2283 PolarHBondContact O-N 3.42Å; L2280-C2284 PolarHBondContact O-N 2.9Å; L2280-C2284 PolarHBondContact O-SG 2.62Å; L2280-C2284 VanDerWaalsContact O-SG 3.36Å |
| 2281 | L | 65.2 | Low | 66.6 | Low | 99 Ų | 99 | 85.2 Ų | 85.2 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 178.4 | -73.2 | 174 | 0 | 0 | 0 | 111.3 | L2275 N2278 C2284 S2285 | L2275-L2281 HydrophobicContact CD2-CB 3.8Å; N2278-L2281 HydrophobicContact CB-CB 3.99Å; N2278-L2281 HydrophobicContact CB-CD1 4.03Å; N2278-L2281 HydrophobicContact CB-CG 4.28Å; N2278-L2281 PolarHBondContact O-N 2.79Å; L2281-C2284 CarbonylContact O-C 3.57Å; L2281-C2284 PolarHBondContact O-N 2.85Å; L2281-S2285 WeakPolarHBondContact O-CB 3.11Å; L2281-S2285 PolarHBondContact O-N 3.27Å |
| 2282 | Y | 66.5 | Low | 65.8 | Low | 92 Ų | 92 | 83.7 Ų | 83.7 | 36% | 0.361 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 173.6 | -179.7 | -116.9 | 0 | 0 | 0 | 112.7 | L2275 R2276 N2278 L2280 C2284 S2285 G2286 | L2275-Y2282 WeakPolarHBondContact O-CB 3.43Å; R2276-Y2282 HydrophobicContact CB-CD2 4.44Å; R2276-Y2282 HydrophobicContact CG-CD1 4.29Å; R2276-Y2282 HydrophobicContact CG-CD2 3.33Å; R2276-Y2282 HydrophobicContact CG-CE1 4.37Å; R2276-Y2282 HydrophobicContact CG-CE2 3.43Å; R2276-Y2282 VanDerWaalsContact CG-CE2 3.43Å; R2276-Y2282 HydrophobicContact CG-CG 3.79Å; R2276-Y2282 PolarHBondContact NE-OH 3.36Å; N2278-Y2282 PolarHBondContact O-N 3.31Å; L2280-Y2282 VanDerWaalsContact C-N 3.34Å; Y2282-C2284 VanDerWaalsContact C-N 3.32Å; Y2282-C2284 PolarHBondContact O-N 3.04Å; Y2282-S2285 CarbonylContact O-C 3.59Å; Y2282-S2285 WeakPolarHBondContact O-CB 3.36Å; Y2282-S2285 PolarHBondContact O-N 3.19Å; Y2282-G2286 PolarHBondContact O-N 2.64Å |
| 2283 | K | 67 | Low | 65.1 | Low | 155 Ų | 155 | 91.2 Ų | 91.2 | 67% | 0.674 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 174.3 | -83.7 | 179.7 | 176.7 | 176.5 | 0 | 111.7 | P2279 L2280 G2286 L2287 | P2279-K2283 WeakPolarHBondContact O-CB 3.39Å; P2279-K2283 WeakPolarHBondContact O-CG 3.22Å; P2279-K2283 PolarHBondContact O-N 3.23Å; P2279-K2283 VanDerWaalsContact O-N 3.1Å; L2280-K2283 PolarHBondContact O-N 3.42Å; K2283-G2286 PolarHBondContact O-N 2.95Å; K2283-L2287 PolarHBondContact O-N 3.43Å |
| 2284 | C | 62.2 | Low | 64.8 | Low | 64 Ų | 64 | 90.9 Ų | 90.9 | 43% | 0.432 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | L2280 L2281 Y2282 L2287 W2291 | L2280-C2284 PolarHBondContact O-N 2.9Å; L2280-C2284 PolarHBondContact O-SG 2.62Å; L2280-C2284 VanDerWaalsContact O-SG 3.36Å; L2281-C2284 CarbonylContact O-C 3.57Å; L2281-C2284 PolarHBondContact O-N 2.85Å; Y2282-C2284 VanDerWaalsContact C-N 3.32Å; Y2282-C2284 PolarHBondContact O-N 3.04Å; C2284-L2287 WeakPolarHBondContact O-CB 3.42Å; C2284-L2287 PolarHBondContact O-N 3.39Å; C2284-W2291 PolarHBondContact O-NE1 3.05Å |
| 2285 | S | 64.8 | Low | 64.5 | Low | 18 Ų | 18 | 90.6 Ų | 90.6 | 13% | 0.126 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 175.4 | 161.7 | 0 | 0 | 0 | 0 | 112.2 | L2275 L2281 Y2282 L2287 V2288 | L2275-S2285 WeakPolarHBondContact CD1-OG 3.38Å; L2281-S2285 WeakPolarHBondContact O-CB 3.11Å; L2281-S2285 PolarHBondContact O-N 3.27Å; Y2282-S2285 CarbonylContact O-C 3.59Å; Y2282-S2285 WeakPolarHBondContact O-CB 3.36Å; Y2282-S2285 PolarHBondContact O-N 3.19Å; S2285-L2287 PolarHBondContact O-N 2.86Å; S2285-V2288 WeakPolarHBondContact O-CB 3.32Å; S2285-V2288 WeakPolarHBondContact O-CG2 3.32Å; S2285-V2288 PolarHBondContact O-N 2.8Å |
| 2286 | G | 58.9 | Low | 64.3 | Low | 60 Ų | 60 | 92.8 Ų | 92.8 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.1 | -25 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y2282 K2283 V2288 | Y2282-G2286 PolarHBondContact O-N 2.64Å; K2283-G2286 PolarHBondContact O-N 2.95Å; G2286-V2288 VanDerWaalsContact C-N 3.33Å |
| 2287 | L | 64.9 | Low | 64.1 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.5 | 171.3 | -69.3 | 164.3 | 0 | 0 | 0 | 113 | K2283 C2284 S2285 H2289 V2290 W2291 | K2283-L2287 PolarHBondContact O-N 3.43Å; C2284-L2287 WeakPolarHBondContact O-CB 3.42Å; C2284-L2287 PolarHBondContact O-N 3.39Å; S2285-L2287 PolarHBondContact O-N 2.86Å; L2287-H2289 PolarHBondContact O-N 2.92Å; L2287-H2289 VanDerWaalsContact O-N 3.12Å; L2287-V2290 HydrophobicContact CB-CB 4.29Å; L2287-V2290 HydrophobicContact CD2-CB 3.97Å; L2287-V2290 HydrophobicContact CD2-CG1 4.35Å; L2287-V2290 HydrophobicContact CD2-CG2 3.75Å; L2287-V2290 CarbonylContact O-C 3.51Å; L2287-V2290 VanDerWaalsContact O-CA 3.23Å; L2287-V2290 WeakPolarHBondContact O-CA 3.39Å; L2287-V2290 VanDerWaalsContact O-CB 3.26Å; L2287-V2290 WeakPolarHBondContact O-CB 3.49Å; L2287-V2290 PolarHBondContact O-N 3.08Å; L2287-W2291 VanDerWaalsContact C-CD1 3.4Å; L2287-W2291 PolarHBondContact O-N 3.06Å |
| 2288 | V | 60.4 | Low | 64.2 | Low | 62 Ų | 62 | 93.3 Ų | 93.3 | 38% | 0.376 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.9 | -35.9 | -178.6 | 164.6 | 0 | 0 | 0 | 0 | 112.1 | S2285 G2286 V2290 W2291 K2292 | S2285-V2288 WeakPolarHBondContact O-CB 3.32Å; S2285-V2288 WeakPolarHBondContact O-CG2 3.32Å; S2285-V2288 PolarHBondContact O-N 2.8Å; G2286-V2288 VanDerWaalsContact C-N 3.33Å; V2288-V2290 VanDerWaalsContact C-N 3.29Å; V2288-V2290 PolarHBondContact O-N 3.36Å; V2288-W2291 PolarHBondContact O-N 3.36Å; V2288-K2292 HydrophobicContact CG1-CD 4.4Å; V2288-K2292 HydrophobicContact CG1-CG 4.42Å; V2288-K2292 VanDerWaalsContact O-CB 3.32Å; V2288-K2292 WeakPolarHBondContact O-CB 3.28Å; V2288-K2292 WeakPolarHBondContact O-CG 3.45Å; V2288-K2292 PolarHBondContact O-N 3.35Å |
| 2289 | H | 60.8 | Low | 64 | Low | 106 Ų | 106 | 89.8 Ų | 89.8 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 174.8 | -138.2 | -56.4 | 0 | 0 | 0 | 112.1 | L2287 R2293 | L2287-H2289 PolarHBondContact O-N 2.92Å; L2287-H2289 VanDerWaalsContact O-N 3.12Å; H2289-R2293 VanDerWaalsContact O-CB 3.26Å; H2289-R2293 WeakPolarHBondContact O-CB 3.1Å; H2289-R2293 VanDerWaalsContact O-CG 3.26Å; H2289-R2293 WeakPolarHBondContact O-CG 3.34Å; H2289-R2293 PolarHBondContact O-N 3.08Å |
| 2290 | V | 65.1 | Low | 63.7 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.3 | -40.6 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | L2287 V2288 R2293 L2294 | L2287-V2290 HydrophobicContact CB-CB 4.29Å; L2287-V2290 HydrophobicContact CD2-CB 3.97Å; L2287-V2290 HydrophobicContact CD2-CG1 4.35Å; L2287-V2290 HydrophobicContact CD2-CG2 3.75Å; L2287-V2290 CarbonylContact O-C 3.51Å; L2287-V2290 VanDerWaalsContact O-CA 3.23Å; L2287-V2290 WeakPolarHBondContact O-CA 3.39Å; L2287-V2290 VanDerWaalsContact O-CB 3.26Å; L2287-V2290 WeakPolarHBondContact O-CB 3.49Å; L2287-V2290 PolarHBondContact O-N 3.08Å; V2288-V2290 VanDerWaalsContact C-N 3.29Å; V2288-V2290 PolarHBondContact O-N 3.36Å; V2290-R2293 CarbonylContact O-C 3.45Å; V2290-R2293 PolarHBondContact O-N 3.1Å; V2290-L2294 HydrophobicContact CG1-CD1 3.81Å; V2290-L2294 HydrophobicContact CG1-CG 4.25Å; V2290-L2294 WeakPolarHBondContact O-CA 3.44Å; V2290-L2294 WeakPolarHBondContact O-CB 3.27Å; V2290-L2294 VanDerWaalsContact O-CG 3.24Å; V2290-L2294 WeakPolarHBondContact O-CG 3.18Å; V2290-L2294 PolarHBondContact O-N 3.09Å |
| 2291 | W | 62.7 | Low | 63.3 | Low | 138 Ų | 138 | 86.4 Ų | 86.4 | 52% | 0.523 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 175.3 | -68.2 | 117.7 | 0 | 0 | 0 | 112.1 | C2284 L2287 V2288 L2294 S2295 | C2284-W2291 PolarHBondContact O-NE1 3.05Å; L2287-W2291 VanDerWaalsContact C-CD1 3.4Å; L2287-W2291 PolarHBondContact O-N 3.06Å; V2288-W2291 PolarHBondContact O-N 3.36Å; W2291-L2294 HydrophobicContact CE3-CD1 4.23Å; W2291-L2294 HydrophobicContact CZ3-CD1 4.49Å; W2291-L2294 PolarHBondContact O-N 2.93Å; W2291-S2295 WeakPolarHBondContact O-CB 3.26Å; W2291-S2295 PolarHBondContact O-N 3.11Å |
| 2292 | K | 59.9 | Low | 63.1 | Low | 122 Ų | 122 | 85.3 Ų | 85.3 | 53% | 0.53 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 171 | -83.1 | -174.6 | 174.9 | 179.5 | 0 | 111 | V2288 S2295 F2296 | V2288-K2292 HydrophobicContact CG1-CD 4.4Å; V2288-K2292 HydrophobicContact CG1-CG 4.42Å; V2288-K2292 VanDerWaalsContact O-CB 3.32Å; V2288-K2292 WeakPolarHBondContact O-CB 3.28Å; V2288-K2292 WeakPolarHBondContact O-CG 3.45Å; V2288-K2292 PolarHBondContact O-N 3.35Å; K2292-S2295 PolarHBondContact O-N 2.69Å; K2292-F2296 VanDerWaalsContact O-CB 3.24Å; K2292-F2296 WeakPolarHBondContact O-CB 3.4Å; K2292-F2296 PolarHBondContact O-N 2.99Å |
| 2293 | R | 61.5 | Low | 62.6 | Low | 179 Ų | 179 | 81.7 Ų | 81.7 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.4 | -38.4 | 174.3 | -81.4 | 179.7 | 172.4 | -178.2 | -0.4 | 112.5 | H2289 V2290 L2297 | H2289-R2293 VanDerWaalsContact O-CB 3.26Å; H2289-R2293 WeakPolarHBondContact O-CB 3.1Å; H2289-R2293 VanDerWaalsContact O-CG 3.26Å; H2289-R2293 WeakPolarHBondContact O-CG 3.34Å; H2289-R2293 PolarHBondContact O-N 3.08Å; V2290-R2293 CarbonylContact O-C 3.45Å; V2290-R2293 PolarHBondContact O-N 3.1Å; R2293-L2297 WeakPolarHBondContact O-CB 3.35Å; R2293-L2297 PolarHBondContact O-N 3.45Å |
| 2294 | L | 64.7 | Low | 62.1 | Low | 57 Ų | 57 | 80.9 Ų | 80.9 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 175.8 | -82.5 | 166.1 | 0 | 0 | 0 | 110.7 | V2290 W2291 F2296 L2297 F2298 | V2290-L2294 HydrophobicContact CG1-CD1 3.81Å; V2290-L2294 HydrophobicContact CG1-CG 4.25Å; V2290-L2294 WeakPolarHBondContact O-CA 3.44Å; V2290-L2294 WeakPolarHBondContact O-CB 3.27Å; V2290-L2294 VanDerWaalsContact O-CG 3.24Å; V2290-L2294 WeakPolarHBondContact O-CG 3.18Å; V2290-L2294 PolarHBondContact O-N 3.09Å; W2291-L2294 HydrophobicContact CE3-CD1 4.23Å; W2291-L2294 HydrophobicContact CZ3-CD1 4.49Å; W2291-L2294 PolarHBondContact O-N 2.93Å; L2294-F2296 VanDerWaalsContact C-N 3.34Å; L2294-L2297 CarbonylContact O-C 3.55Å; L2294-L2297 PolarHBondContact O-N 3.03Å; L2294-F2298 HydrophobicContact CB-CD2 4.28Å; L2294-F2298 HydrophobicContact CB-CE2 4.25Å; L2294-F2298 HydrophobicContact CD2-CE2 4.28Å; L2294-F2298 VanDerWaalsContact O-CB 3.26Å; L2294-F2298 WeakPolarHBondContact O-CB 3.36Å; L2294-F2298 WeakPolarHBondContact O-CD2 3.42Å; L2294-F2298 WeakPolarHBondContact O-CG 3.49Å; L2294-F2298 PolarHBondContact O-N 3.17Å |
| 2295 | S | 65.5 | Low | 61.9 | Low | 74 Ų | 74 | 81.5 Ų | 81.5 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 173.7 | 165.8 | 0 | 0 | 0 | 0 | 110.7 | W2291 K2292 F2298 A2299 | W2291-S2295 WeakPolarHBondContact O-CB 3.26Å; W2291-S2295 PolarHBondContact O-N 3.11Å; K2292-S2295 PolarHBondContact O-N 2.69Å; S2295-F2298 PolarHBondContact O-N 2.94Å; S2295-A2299 WeakPolarHBondContact O-CB 3.36Å; S2295-A2299 PolarHBondContact O-N 3.48Å |
| 2296 | F | 63.2 | Low | 61.3 | Low | 60 Ų | 60 | 82.7 Ų | 82.7 | 26% | 0.263 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 172.7 | 176.6 | -92.4 | 0 | 0 | 0 | 112.1 | K2292 L2294 F2298 A2299 M2300 I2359 H2362 | K2292-F2296 VanDerWaalsContact O-CB 3.24Å; K2292-F2296 WeakPolarHBondContact O-CB 3.4Å; K2292-F2296 PolarHBondContact O-N 2.99Å; L2294-F2296 VanDerWaalsContact C-N 3.34Å; F2296-F2298 VanDerWaalsContact C-N 3.34Å; F2296-F2298 PolarHBondContact O-N 3.48Å; F2296-A2299 PolarHBondContact O-N 2.82Å; F2296-M2300 HydrophobicContact CD1-CG 4.31Å; F2296-M2300 HydrophobicContact CE1-CG 3.94Å; F2296-M2300 HydrophobicContact CZ-CG 4.12Å; F2296-M2300 WeakPolarHBondContact O-CB 3.24Å; F2296-M2300 WeakPolarHBondContact O-CG 3.21Å; F2296-M2300 PolarHBondContact O-N 2.69Å; F2296-I2359 HydrophobicContact CD2-CG1 4.31Å; F2296-I2359 HydrophobicContact CE2-CB 3.97Å; F2296-I2359 HydrophobicContact CE2-CG1 3.8Å; F2296-I2359 HydrophobicContact CE2-CG2 3.8Å; F2296-I2359 HydrophobicContact CZ-CG1 4.45Å; F2296-I2359 HydrophobicContact CZ-CG2 4.11Å; F2296-H2362 HydrophobicContact CD2-CB 4.29Å; F2296-H2362 HydrophobicContact CE2-CB 4.4Å |
| 2297 | L | 64.1 | Low | 60.9 | Low | 91 Ų | 91 | 82.7 Ų | 82.7 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.5 | -166.9 | 94.9 | 0 | 0 | 0 | 110.8 | R2293 L2294 M2300 I2301 | R2293-L2297 WeakPolarHBondContact O-CB 3.35Å; R2293-L2297 PolarHBondContact O-N 3.45Å; L2294-L2297 CarbonylContact O-C 3.55Å; L2294-L2297 PolarHBondContact O-N 3.03Å; L2297-M2300 PolarHBondContact O-N 3.24Å; L2297-I2301 HydrophobicContact CD2-CD1 3.73Å; L2297-I2301 HydrophobicContact CG-CD1 3.78Å; L2297-I2301 HydrophobicContact CG-CG1 4.45Å; L2297-I2301 VanDerWaalsContact O-CB 3.27Å; L2297-I2301 WeakPolarHBondContact O-CB 3.4Å; L2297-I2301 WeakPolarHBondContact O-CD1 3.37Å; L2297-I2301 WeakPolarHBondContact O-CG1 3.33Å; L2297-I2301 PolarHBondContact O-N 3.06Å |
| 2298 | F | 65 | Low | 60.4 | Low | 116 Ų | 116 | 82.3 Ų | 82.3 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 175.6 | -79.7 | -57.1 | 0 | 0 | 0 | 111.1 | L2294 S2295 F2296 I2301 I2302 | L2294-F2298 HydrophobicContact CB-CD2 4.28Å; L2294-F2298 HydrophobicContact CB-CE2 4.25Å; L2294-F2298 HydrophobicContact CD2-CE2 4.28Å; L2294-F2298 VanDerWaalsContact O-CB 3.26Å; L2294-F2298 WeakPolarHBondContact O-CB 3.36Å; L2294-F2298 WeakPolarHBondContact O-CD2 3.42Å; L2294-F2298 WeakPolarHBondContact O-CG 3.49Å; L2294-F2298 PolarHBondContact O-N 3.17Å; S2295-F2298 PolarHBondContact O-N 2.94Å; F2296-F2298 VanDerWaalsContact C-N 3.34Å; F2296-F2298 PolarHBondContact O-N 3.48Å; F2298-I2301 PolarHBondContact O-N 3.41Å; F2298-I2302 VanDerWaalsContact O-CB 3.24Å; F2298-I2302 WeakPolarHBondContact O-CB 3.4Å; F2298-I2302 WeakPolarHBondContact O-CD1 3.1Å; F2298-I2302 WeakPolarHBondContact O-CG1 3.09Å; F2298-I2302 PolarHBondContact O-N 3.35Å |
| 2299 | A | 62.7 | Low | 59.7 | Low | 12 Ų | 12 | 87 Ų | 87 | 10% | 0.099 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S2295 F2296 I2302 N2303 | S2295-A2299 WeakPolarHBondContact O-CB 3.36Å; S2295-A2299 PolarHBondContact O-N 3.48Å; F2296-A2299 PolarHBondContact O-N 2.82Å; A2299-I2302 PolarHBondContact O-N 3.1Å; A2299-N2303 VanDerWaalsContact O-CB 3.23Å; A2299-N2303 WeakPolarHBondContact O-CB 3.37Å; A2299-N2303 PolarHBondContact O-N 3.42Å; A2299-N2303 PolarHBondContact O-ND2 2.98Å; A2299-N2303 VanDerWaalsContact O-ND2 3.12Å |
| 2300 | M | 60.8 | Low | 58.8 | Low | 91 Ų | 91 | 88.8 Ų | 88.8 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 172.1 | -80.1 | -79.7 | -65 | 0 | 0 | 112 | F2296 L2297 N2303 F2304 I2359 | F2296-M2300 HydrophobicContact CD1-CG 4.31Å; F2296-M2300 HydrophobicContact CE1-CG 3.94Å; F2296-M2300 HydrophobicContact CZ-CG 4.12Å; F2296-M2300 WeakPolarHBondContact O-CB 3.24Å; F2296-M2300 WeakPolarHBondContact O-CG 3.21Å; F2296-M2300 PolarHBondContact O-N 2.69Å; L2297-M2300 PolarHBondContact O-N 3.24Å; M2300-N2303 PolarHBondContact O-N 3.33Å; M2300-F2304 WeakPolarHBondContact O-CB 3.4Å; M2300-F2304 PolarHBondContact O-N 3.16Å; M2300-I2359 HydrophobicContact CG-CD1 4.09Å; M2300-I2359 HydrophobicContact CG-CG1 4.48Å; M2300-I2359 HydrophobicContact SD-CD1 3.55Å; M2300-I2359 VanDerWaalsContact SD-CD1 3.55Å; M2300-I2359 HydrophobicContact SD-CG1 4.35Å |
| 2301 | I | 62.9 | Low | 57.6 | Low | 71 Ų | 71 | 90.2 Ų | 90.2 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.8 | -72.4 | 164.7 | 0 | 0 | 0 | 110.7 | L2297 F2298 F2304 L2305 | L2297-I2301 HydrophobicContact CD2-CD1 3.73Å; L2297-I2301 HydrophobicContact CG-CD1 3.78Å; L2297-I2301 HydrophobicContact CG-CG1 4.45Å; L2297-I2301 VanDerWaalsContact O-CB 3.27Å; L2297-I2301 WeakPolarHBondContact O-CB 3.4Å; L2297-I2301 WeakPolarHBondContact O-CD1 3.37Å; L2297-I2301 WeakPolarHBondContact O-CG1 3.33Å; L2297-I2301 PolarHBondContact O-N 3.06Å; F2298-I2301 PolarHBondContact O-N 3.41Å; I2301-F2304 PolarHBondContact O-N 3.45Å; I2301-L2305 HydrophobicContact CG2-CD1 3.66Å; I2301-L2305 HydrophobicContact CG2-CG 4.06Å; I2301-L2305 WeakPolarHBondContact O-CB 3.38Å; I2301-L2305 WeakPolarHBondContact O-CG 3.43Å; I2301-L2305 PolarHBondContact O-N 3.4Å |
| 2302 | I | 61.8 | Low | 56.4 | Low | 77 Ų | 77 | 91 Ų | 91 | 40% | 0.395 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.6 | -72.5 | 165.6 | 0 | 0 | 0 | 109.5 | F2298 A2299 F2304 L2305 V2306 | F2298-I2302 VanDerWaalsContact O-CB 3.24Å; F2298-I2302 WeakPolarHBondContact O-CB 3.4Å; F2298-I2302 WeakPolarHBondContact O-CD1 3.1Å; F2298-I2302 WeakPolarHBondContact O-CG1 3.09Å; F2298-I2302 PolarHBondContact O-N 3.35Å; A2299-I2302 PolarHBondContact O-N 3.1Å; I2302-F2304 VanDerWaalsContact C-N 3.3Å; I2302-F2304 PolarHBondContact O-N 2.87Å; I2302-L2305 PolarHBondContact O-N 3.41Å; I2302-V2306 HydrophobicContact CG2-CG2 4.42Å; I2302-V2306 WeakPolarHBondContact O-CB 3.22Å; I2302-V2306 WeakPolarHBondContact O-CG2 3.33Å; I2302-V2306 PolarHBondContact O-N 3.27Å |
| 2303 | N | 55.8 | Low | 55.1 | Low | 16 Ų | 16 | 92 Ų | 92 | 9% | 0.086 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 177.8 | -68.1 | -22.6 | 0 | 0 | 0 | 111.5 | A2299 M2300 A2307 L2356 | A2299-N2303 VanDerWaalsContact O-CB 3.23Å; A2299-N2303 WeakPolarHBondContact O-CB 3.37Å; A2299-N2303 PolarHBondContact O-N 3.42Å; A2299-N2303 PolarHBondContact O-ND2 2.98Å; A2299-N2303 VanDerWaalsContact O-ND2 3.12Å; M2300-N2303 PolarHBondContact O-N 3.33Å; N2303-A2307 WeakPolarHBondContact O-CB 3.27Å; N2303-A2307 PolarHBondContact O-N 3.36Å; N2303-L2356 HydrophobicContact CB-CD1 4.15Å |
| 2304 | F | 57.4 | Low | 53.9 | Low | 138 Ų | 138 | 89.2 Ų | 89.2 | 61% | 0.605 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.3 | -43.7 | 174.9 | -178.5 | -96.2 | 0 | 0 | 0 | 112.2 | M2300 I2301 I2302 V2306 A2307 C2308 | M2300-F2304 WeakPolarHBondContact O-CB 3.4Å; M2300-F2304 PolarHBondContact O-N 3.16Å; I2301-F2304 PolarHBondContact O-N 3.45Å; I2302-F2304 VanDerWaalsContact C-N 3.3Å; I2302-F2304 PolarHBondContact O-N 2.87Å; F2304-V2306 VanDerWaalsContact C-N 3.25Å; F2304-V2306 PolarHBondContact O-N 3.34Å; F2304-A2307 CarbonylContact O-C 3.54Å; F2304-A2307 WeakPolarHBondContact O-CA 3.48Å; F2304-A2307 WeakPolarHBondContact O-CB 3.48Å; F2304-A2307 PolarHBondContact O-N 3.4Å; F2304-A2307 VanDerWaalsContact O-N 3.12Å; F2304-C2308 WeakPolarHBondContact CE1-SG 3.44Å; F2304-C2308 WeakPolarHBondContact CZ-SG 3.48Å; F2304-C2308 WeakPolarHBondContact O-CB 3.32Å; F2304-C2308 PolarHBondContact O-N 2.9Å; F2304-C2308 PolarHBondContact O-SG 2.89Å |
| 2305 | L | 56.9 | Low | 52.5 | Low | 77 Ų | 77 | 90.7 Ų | 90.7 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 173.9 | -79.2 | 171 | 0 | 0 | 0 | 110.2 | I2301 I2302 C2308 F2309 | I2301-L2305 HydrophobicContact CG2-CD1 3.66Å; I2301-L2305 HydrophobicContact CG2-CG 4.06Å; I2301-L2305 WeakPolarHBondContact O-CB 3.38Å; I2301-L2305 WeakPolarHBondContact O-CG 3.43Å; I2301-L2305 PolarHBondContact O-N 3.4Å; I2302-L2305 PolarHBondContact O-N 3.41Å; L2305-C2308 PolarHBondContact O-N 3.27Å; L2305-F2309 HydrophobicContact CB-CD2 4.36Å; L2305-F2309 HydrophobicContact CD2-CD2 3.72Å; L2305-F2309 HydrophobicContact CD2-CE2 3.44Å; L2305-F2309 VanDerWaalsContact CD2-CE2 3.44Å; L2305-F2309 WeakPolarHBondContact O-CA 3.49Å; L2305-F2309 VanDerWaalsContact O-CB 3.27Å; L2305-F2309 WeakPolarHBondContact O-CB 3.34Å; L2305-F2309 WeakPolarHBondContact O-CD2 3Å; L2305-F2309 PolarHBondContact O-N 3.3Å |
| 2306 | V | 53 | Low | 50.9 | Low | 42 Ų | 42 | 93.4 Ų | 93.4 | 26% | 0.255 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | I2302 F2304 C2308 F2309 Y2310 Q2352 | I2302-V2306 HydrophobicContact CG2-CG2 4.42Å; I2302-V2306 WeakPolarHBondContact O-CB 3.22Å; I2302-V2306 WeakPolarHBondContact O-CG2 3.33Å; I2302-V2306 PolarHBondContact O-N 3.27Å; F2304-V2306 VanDerWaalsContact C-N 3.25Å; F2304-V2306 PolarHBondContact O-N 3.34Å; V2306-C2308 PolarHBondContact O-N 3.28Å; V2306-F2309 PolarHBondContact O-N 3.15Å; V2306-Y2310 WeakPolarHBondContact O-CA 3.29Å; V2306-Y2310 WeakPolarHBondContact O-CB 3.47Å; V2306-Y2310 PolarHBondContact O-N 3.24Å; V2306-Q2352 VanDerWaalsContact CG1-OE1 3.24Å |
| 2307 | A | 50.5 | Low | 49.5 | Very low | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -32 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N2303 F2304 | N2303-A2307 WeakPolarHBondContact O-CB 3.27Å; N2303-A2307 PolarHBondContact O-N 3.36Å; F2304-A2307 CarbonylContact O-C 3.54Å; F2304-A2307 WeakPolarHBondContact O-CA 3.48Å; F2304-A2307 WeakPolarHBondContact O-CB 3.48Å; F2304-A2307 PolarHBondContact O-N 3.4Å; F2304-A2307 VanDerWaalsContact O-N 3.12Å |
| 2308 | C | 53.6 | Low | 48 | Very low | 71 Ų | 71 | 99.6 Ų | 99.6 | 48% | 0.48 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -87 | -34.7 | -179 | -72.1 | 0 | 0 | 0 | 0 | 114.5 | F2304 L2305 V2306 | F2304-C2308 WeakPolarHBondContact CE1-SG 3.44Å; F2304-C2308 WeakPolarHBondContact CZ-SG 3.48Å; F2304-C2308 WeakPolarHBondContact O-CB 3.32Å; F2304-C2308 PolarHBondContact O-N 2.9Å; F2304-C2308 PolarHBondContact O-SG 2.89Å; L2305-C2308 PolarHBondContact O-N 3.27Å; V2306-C2308 PolarHBondContact O-N 3.28Å |
| 2309 | F | 46.7 | Very low | 46.4 | Very low | 161 Ų | 161 | 97.7 Ų | 97.7 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -106.8 | 1 | -178.5 | -67.9 | -75.4 | 0 | 0 | 0 | 112.7 | L2305 V2306 P2311 | L2305-F2309 HydrophobicContact CB-CD2 4.36Å; L2305-F2309 HydrophobicContact CD2-CD2 3.72Å; L2305-F2309 HydrophobicContact CD2-CE2 3.44Å; L2305-F2309 VanDerWaalsContact CD2-CE2 3.44Å; L2305-F2309 WeakPolarHBondContact O-CA 3.49Å; L2305-F2309 VanDerWaalsContact O-CB 3.27Å; L2305-F2309 WeakPolarHBondContact O-CB 3.34Å; L2305-F2309 WeakPolarHBondContact O-CD2 3Å; L2305-F2309 PolarHBondContact O-N 3.3Å; V2306-F2309 PolarHBondContact O-N 3.15Å; F2309-P2311 VanDerWaalsContact O-CD 3.22Å; F2309-P2311 WeakPolarHBondContact O-CD 3.42Å; F2309-P2311 VanDerWaalsContact O-N 3.1Å |
| 2310 | Y | 41.5 | Very low | 44.9 | Very low | 142 Ų | 142 | 105.6 Ų | 105.6 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -61.1 | 111.7 | 158 | -166.6 | -96.1 | 0 | 0 | 0 | 105.2 | V2306 F2312 | V2306-Y2310 WeakPolarHBondContact O-CA 3.29Å; V2306-Y2310 WeakPolarHBondContact O-CB 3.47Å; V2306-Y2310 PolarHBondContact O-N 3.24Å; Y2310-F2312 VanDerWaalsContact C-N 3.33Å; Y2310-F2312 HydrophobicContact CD1-CD2 4.34Å; Y2310-F2312 HydrophobicContact CD1-CE1 4.25Å; Y2310-F2312 HydrophobicContact CD1-CE2 4.05Å; Y2310-F2312 HydrophobicContact CD1-CZ 4.01Å; Y2310-F2312 WeakPolarHBondContact O-CD2 3.37Å; Y2310-F2312 PolarHBondContact O-N 3.16Å |
| 2311 | P | 39.3 | Very low | 43.5 | Very low | 100 Ų | 100 | 106.1 Ų | 106.1 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | trans | -69.2 | 100.2 | -172.2 | 28.2 | -30.5 | 0 | 0 | 0 | 106.9 | F2309 D2313 | F2309-P2311 VanDerWaalsContact O-CD 3.22Å; F2309-P2311 WeakPolarHBondContact O-CD 3.42Å; F2309-P2311 VanDerWaalsContact O-N 3.1Å; P2311-D2313 PolarHBondContact O-N 3.22Å | ||
| 2312 | F | 37.8 | Very low | 42.1 | Very low | 153 Ų | 153 | 108.2 Ų | 108.2 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | trans | -83.3 | 50.4 | 159.6 | -67.2 | -81.5 | 0 | 0 | 0 | 107.9 | Y2310 P2314 | Y2310-F2312 VanDerWaalsContact C-N 3.33Å; Y2310-F2312 HydrophobicContact CD1-CD2 4.34Å; Y2310-F2312 HydrophobicContact CD1-CE1 4.25Å; Y2310-F2312 HydrophobicContact CD1-CE2 4.05Å; Y2310-F2312 HydrophobicContact CD1-CZ 4.01Å; Y2310-F2312 WeakPolarHBondContact O-CD2 3.37Å; Y2310-F2312 PolarHBondContact O-N 3.16Å; F2312-P2314 WeakPolarHBondContact O-CD 3.38Å; F2312-P2314 WeakPolarHBondContact O-CG 3.11Å | ||
| 2313 | D | 33.7 | Very low | 40.9 | Very low | 143 Ų | 143 | 110.2 Ų | 110.2 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | trans | -84.9 | 111.2 | 175.5 | -90.8 | -28.9 | 0 | 0 | 0 | 109.4 | P2311 S2315 | P2311-D2313 PolarHBondContact O-N 3.22Å; D2313-S2315 PolarHBondContact O-N 3.17Å | ||
| 2314 | P | 36.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | trans | -93 | 17.4 | -164.9 | 0.6 | 22.1 | 0 | 0 | 0 | 113.9 | F2312 | F2312-P2314 WeakPolarHBondContact O-CD 3.38Å; F2312-P2314 WeakPolarHBondContact O-CG 3.11Å | ||
| 2315 | S | 35.3 | Very low | 38.4 | Very low | 88 Ų | 88 | 119 Ų | 119 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -142 | 113.3 | -169 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | D2313 | D2313-S2315 PolarHBondContact O-N 3.17Š| ||
| 2316 | D | 31.6 | Very low | 37 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | 39.1 | 132.5 | 135.6 | -59.1 | -32.4 | 0 | 0 | 0 | 120.2 | ||||
| 2317 | D | 32.8 | Very low | 35.8 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | 91 | 127.6 | 158.6 | -62.9 | -29.7 | 0 | 0 | 0 | 119.8 | ||||
| 2318 | V | 32.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 82 | 81.6 | 164.4 | -159.2 | 0 | 0 | 0 | 0 | 115.9 | K2320 | V2318-K2320 HydrophobicContact CG1-CB 4.39Å; V2318-K2320 PolarHBondContact O-N 2.68Å | ||
| 2319 | G | 32.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -54.9 | 101.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2320 | K | 31.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -178.9 | 67.6 | 154.9 | -100.6 | 170.1 | -169 | -178.9 | 0 | 109.3 | V2318 | V2318-K2320 HydrophobicContact CG1-CB 4.39Å; V2318-K2320 PolarHBondContact O-N 2.68Å | ||
| 2321 | S | 30.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -157.7 | -4.8 | 160.9 | -85.7 | 0 | 0 | 0 | 0 | 115.3 | V2323 F2324 | S2321-V2323 PolarHBondContact O-N 2.72Å; S2321-F2324 PolarHBondContact O-N 3.09Å |
| 2322 | S | 33.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -71.8 | -4.1 | 165 | 54 | 0 | 0 | 0 | 0 | 113.6 | F2324 | S2322-F2324 VanDerWaalsContact C-N 3.27Š|
| 2323 | V | 35.4 | Very low | 31 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -78.4 | -8 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | S2321 | S2321-V2323 PolarHBondContact O-N 2.72Š|
| 2324 | F | 30.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -90 | 5.2 | -179.7 | -142 | -97.4 | 0 | 0 | 0 | 115.7 | S2321 S2322 | S2321-F2324 PolarHBondContact O-N 3.09Å; S2322-F2324 VanDerWaalsContact C-N 3.27Å |
| 2325 | L | 30.5 | Very low | 30.6 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -116.7 | 11.5 | 174.8 | -126.9 | 94.3 | 0 | 0 | 0 | 115.8 | ||
| 2326 | M | 26.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -123 | 13.7 | 178.6 | -153 | 69 | 154.3 | 0 | 0 | 114.7 | ||
| 2327 | S | 28.5 | Very low | 30.6 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -109.9 | 14.1 | -176.8 | 67.7 | 0 | 0 | 0 | 0 | 117 | ||
| 2328 | T | 28.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -123.3 | 11.4 | 177 | 43.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 2329 | Y | 28 | Very low | 30.7 | Very low | 221 Ų | 221 | 142 Ų | 142 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 79 | 162.3 | -94.8 | -93.1 | 0 | 0 | 0 | 111 | I2331 | Y2329-I2331 PolarHBondContact O-N 3.2Š| ||
| 2330 | N | 26.5 | Very low | 30.7 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -68.3 | 99.2 | 160.4 | -93 | -20.3 | 0 | 0 | 0 | 108.8 | ||||
| 2331 | I | 28 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -120.4 | 103.7 | 147.5 | -66.8 | 177.2 | 0 | 0 | 0 | 105.8 | Y2329 T2333 | Y2329-I2331 PolarHBondContact O-N 3.2Å; I2331-T2333 PolarHBondContact O-N 2.74Å | ||
| 2332 | E | 27.8 | Very low | 31 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -59.6 | 116.1 | 167.9 | -66.6 | 172.4 | 150 | 0 | 0 | 109.1 | ||||
| 2333 | T | 30.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | 177.7 | 130.5 | 127.7 | 27.2 | 0 | 0 | 0 | 0 | 109.9 | I2331 | I2331-T2333 PolarHBondContact O-N 2.74Š| |||
| 2334 | P | 30.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -93.2 | 146.4 | -176.1 | 36.1 | -31.2 | 0 | 0 | 0 | 111.4 | ||||
| 2335 | Q | 30.8 | Very low | 30.8 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | 142.8 | 128.5 | 150.6 | -78.4 | 169.1 | 14.7 | 0 | 0 | 109.8 | ||||
| 2336 | N | 33.3 | Very low | 31 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | 75.9 | 78.8 | 174.9 | -60.7 | -18.8 | 0 | 0 | 0 | 118 | ||||
| 2337 | T | 33.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | trans | -149.3 | 86.6 | 150.9 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | T2340 | T2337-T2340 WeakPolarHBondContact CB-OG1 3.2Å; T2337-T2340 HydrophobicContact CG2-CG2 3.94Å; T2337-T2340 PolarHBondContact OG1-OG1 3.5Å | ||
| 2338 | D | 33 | Very low | 31.9 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -83.6 | 6.8 | 155.9 | -89.7 | -27.6 | 0 | 0 | 0 | 112.5 | ||
| 2339 | N | 34.5 | Very low | 32.3 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -115.2 | -2.3 | -177.2 | -78.8 | -18.8 | 0 | 0 | 0 | 115.5 | ||
| 2340 | T | 31.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 45% | 0.454 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -94.5 | -17 | -176.8 | 38.1 | 0 | 0 | 0 | 0 | 114.9 | T2337 S2344 | T2337-T2340 WeakPolarHBondContact CB-OG1 3.2Å; T2337-T2340 HydrophobicContact CG2-CG2 3.94Å; T2337-T2340 PolarHBondContact OG1-OG1 3.5Å; T2340-S2344 WeakPolarHBondContact O-CB 3.35Å; T2340-S2344 PolarHBondContact O-N 2.91Å; T2340-S2344 PolarHBondContact O-OG 3.22Å |
| 2341 | V | 35.7 | Very low | 33.6 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 66% | 0.655 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.7 | -34.3 | 172.1 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | L2343 S2344 V2345 | V2341-L2343 VanDerWaalsContact C-N 3.32Å; V2341-L2343 PolarHBondContact O-N 2.99Å; V2341-S2344 PolarHBondContact O-N 2.98Å; V2341-S2344 PolarHBondContact O-OG 3.43Å; V2341-V2345 WeakPolarHBondContact O-CG2 3.26Å; V2341-V2345 PolarHBondContact O-N 2.74Å; V2341-V2345 VanDerWaalsContact O-N 3.09Å |
| 2342 | F | 33.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 112.3 Ų | 112.3 | 69% | 0.693 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.7 | -33.7 | 173.8 | -143.1 | -95.7 | 0 | 0 | 0 | 111.6 | L2346 | F2342-L2346 HydrophobicContact CD1-CD1 3.76Å; F2342-L2346 HydrophobicContact CE1-CD1 3.7Å; F2342-L2346 WeakPolarHBondContact O-CB 3.47Å; F2342-L2346 PolarHBondContact O-N 3.42Å; F2342-L2346 VanDerWaalsContact O-N 3.12Å |
| 2343 | L | 30.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.6 | -29.4 | 173.8 | -110.7 | 120.6 | 0 | 0 | 0 | 113.7 | V2341 V2347 | V2341-L2343 VanDerWaalsContact C-N 3.32Å; V2341-L2343 PolarHBondContact O-N 2.99Å; L2343-V2347 HydrophobicContact CD2-CG2 4.01Å; L2343-V2347 WeakPolarHBondContact O-CA 3.38Å; L2343-V2347 WeakPolarHBondContact O-CB 3.37Å; L2343-V2347 WeakPolarHBondContact O-CG2 3.38Å; L2343-V2347 PolarHBondContact O-N 3.43Å |
| 2344 | S | 32.3 | Very low | 35.5 | Very low | 63 Ų | 63 | 116.5 Ų | 116.5 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.7 | -35.4 | 175.9 | 69 | 0 | 0 | 0 | 0 | 112 | T2340 V2341 V2347 F2348 | T2340-S2344 WeakPolarHBondContact O-CB 3.35Å; T2340-S2344 PolarHBondContact O-N 2.91Å; T2340-S2344 PolarHBondContact O-OG 3.22Å; V2341-S2344 PolarHBondContact O-N 2.98Å; V2341-S2344 PolarHBondContact O-OG 3.43Å; S2344-V2347 PolarHBondContact O-N 3.04Å; S2344-F2348 WeakPolarHBondContact O-CB 3.45Å; S2344-F2348 PolarHBondContact O-N 3.42Å |
| 2345 | V | 33.2 | Very low | 36.3 | Very low | 81 Ų | 81 | 113.1 Ų | 113.1 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.6 | -37.4 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 111 | V2341 N2349 | V2341-V2345 WeakPolarHBondContact O-CG2 3.26Å; V2341-V2345 PolarHBondContact O-N 2.74Å; V2341-V2345 VanDerWaalsContact O-N 3.09Å; V2345-N2349 VanDerWaalsContact O-CB 3.26Å; V2345-N2349 WeakPolarHBondContact O-CB 3.37Å; V2345-N2349 PolarHBondContact O-N 3.31Å |
| 2346 | L | 33.8 | Very low | 37.1 | Very low | 108 Ų | 108 | 109.3 Ų | 109.3 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.2 | -25.1 | 172.5 | -96.3 | 156.7 | 0 | 0 | 0 | 114.1 | F2342 G2350 | F2342-L2346 HydrophobicContact CD1-CD1 3.76Å; F2342-L2346 HydrophobicContact CE1-CD1 3.7Å; F2342-L2346 WeakPolarHBondContact O-CB 3.47Å; F2342-L2346 PolarHBondContact O-N 3.42Å; F2342-L2346 VanDerWaalsContact O-N 3.12Å; L2346-G2350 WeakPolarHBondContact O-CA 3.48Å; L2346-G2350 PolarHBondContact O-N 2.98Å |
| 2347 | V | 39.3 | Very low | 38.1 | Very low | 77 Ų | 77 | 107.5 Ų | 107.5 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -84.1 | -40.5 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | L2343 S2344 V2351 | L2343-V2347 HydrophobicContact CD2-CG2 4.01Å; L2343-V2347 WeakPolarHBondContact O-CA 3.38Å; L2343-V2347 WeakPolarHBondContact O-CB 3.37Å; L2343-V2347 WeakPolarHBondContact O-CG2 3.38Å; L2343-V2347 PolarHBondContact O-N 3.43Å; S2344-V2347 PolarHBondContact O-N 3.04Å; V2347-V2351 VanDerWaalsContact O-CG2 3.28Å; V2347-V2351 WeakPolarHBondContact O-CG2 3.45Å; V2347-V2351 PolarHBondContact O-N 3.44Å |
| 2348 | F | 35.7 | Very low | 39.1 | Very low | 168 Ų | 168 | 106.6 Ų | 106.6 | 74% | 0.737 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.6 | -36.2 | 178.2 | -104.1 | -88.1 | 0 | 0 | 0 | 114.2 | S2344 | S2344-F2348 WeakPolarHBondContact O-CB 3.45Å; S2344-F2348 PolarHBondContact O-N 3.42Å |
| 2349 | N | 35.2 | Very low | 40.4 | Very low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -83.2 | -16.7 | 167.4 | -78.4 | -39.9 | 0 | 0 | 0 | 113.1 | V2345 R2353 | V2345-N2349 VanDerWaalsContact O-CB 3.26Å; V2345-N2349 WeakPolarHBondContact O-CB 3.37Å; V2345-N2349 PolarHBondContact O-N 3.31Å; N2349-R2353 WeakPolarHBondContact O-CB 3.46Å; N2349-R2353 PolarHBondContact O-N 3.11Å; N2349-R2353 VanDerWaalsContact O-N 3.08Å |
| 2350 | G | 39.6 | Very low | 41.5 | Very low | 9 Ų | 9 | 95.3 Ų | 95.3 | 9% | 0.093 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -68.3 | -52.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2346 Q2352 R2353 W2354 | L2346-G2350 WeakPolarHBondContact O-CA 3.48Å; L2346-G2350 PolarHBondContact O-N 2.98Å; G2350-Q2352 PolarHBondContact O-N 3.03Å; G2350-Q2352 VanDerWaalsContact O-N 3.15Å; G2350-R2353 PolarHBondContact O-N 3.12Å; G2350-W2354 WeakPolarHBondContact O-CB 3.4Å; G2350-W2354 PolarHBondContact O-N 2.87Å |
| 2351 | V | 44 | Very low | 42.6 | Very low | 91 Ų | 91 | 97.6 Ų | 97.6 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.4 | -34.2 | -177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | V2347 N2355 | V2347-V2351 VanDerWaalsContact O-CG2 3.28Å; V2347-V2351 WeakPolarHBondContact O-CG2 3.45Å; V2347-V2351 PolarHBondContact O-N 3.44Å; V2351-N2355 PolarHBondContact O-N 3.15Å |
| 2352 | Q | 40.8 | Very low | 43.7 | Very low | 57 Ų | 57 | 96.5 Ų | 96.5 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 174.4 | -65.7 | -102.2 | -10 | 0 | 0 | 113 | V2306 G2350 W2354 N2355 L2356 | V2306-Q2352 VanDerWaalsContact CG1-OE1 3.24Å; G2350-Q2352 PolarHBondContact O-N 3.03Å; G2350-Q2352 VanDerWaalsContact O-N 3.15Å; Q2352-W2354 VanDerWaalsContact C-N 3.31Å; Q2352-W2354 PolarHBondContact O-N 3.48Å; Q2352-N2355 PolarHBondContact O-N 2.95Å; Q2352-L2356 PolarHBondContact O-N 2.91Å |
| 2353 | R | 38.1 | Very low | 45.2 | Very low | 196 Ų | 196 | 93.6 Ų | 93.6 | 74% | 0.74 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.1 | -32.1 | 176.1 | -93.3 | -177.3 | 167 | 177.9 | -2.9 | 112.9 | N2349 G2350 L2356 F2357 | N2349-R2353 WeakPolarHBondContact O-CB 3.46Å; N2349-R2353 PolarHBondContact O-N 3.11Å; N2349-R2353 VanDerWaalsContact O-N 3.08Å; G2350-R2353 PolarHBondContact O-N 3.12Å; R2353-L2356 PolarHBondContact O-N 3.45Å; R2353-F2357 PolarHBondContact O-N 3.47Å |
| 2354 | W | 45.3 | Very low | 46.7 | Very low | 199 Ų | 199 | 93.9 Ų | 93.9 | 75% | 0.754 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73.7 | -37 | -179.9 | -71.6 | 49.4 | 0 | 0 | 0 | 110.8 | G2350 Q2352 L2356 F2357 D2358 | G2350-W2354 WeakPolarHBondContact O-CB 3.4Å; G2350-W2354 PolarHBondContact O-N 2.87Å; Q2352-W2354 VanDerWaalsContact C-N 3.31Å; Q2352-W2354 PolarHBondContact O-N 3.48Å; W2354-L2356 VanDerWaalsContact C-N 3.28Å; W2354-L2356 PolarHBondContact O-N 3.18Å; W2354-F2357 PolarHBondContact O-N 2.86Å; W2354-F2357 VanDerWaalsContact O-N 3.09Å; W2354-D2358 PolarHBondContact O-N 3.37Å |
| 2355 | N | 48.6 | Very low | 48.2 | Very low | 41 Ų | 41 | 95 Ų | 95 | 22% | 0.219 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.4 | -30.6 | 173 | -77.5 | -10.6 | 0 | 0 | 0 | 113.2 | V2351 Q2352 | V2351-N2355 PolarHBondContact O-N 3.15Å; Q2352-N2355 PolarHBondContact O-N 2.95Å |
| 2356 | L | 48.4 | Very low | 49.7 | Very low | 100 Ų | 100 | 94.2 Ų | 94.2 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.2 | -33.9 | 172.5 | -109.9 | 107.5 | 0 | 0 | 0 | 112.6 | N2303 Q2352 R2353 W2354 D2358 I2359 | N2303-L2356 HydrophobicContact CB-CD1 4.15Å; Q2352-L2356 PolarHBondContact O-N 2.91Å; R2353-L2356 PolarHBondContact O-N 3.45Å; W2354-L2356 VanDerWaalsContact C-N 3.28Å; W2354-L2356 PolarHBondContact O-N 3.18Å; L2356-D2358 VanDerWaalsContact C-N 3.3Å; L2356-D2358 PolarHBondContact O-N 3Å; L2356-I2359 HydrophobicContact CG-CD1 4.42Å; L2356-I2359 WeakPolarHBondContact O-CB 3.28Å; L2356-I2359 PolarHBondContact O-N 3.48Å |
| 2357 | F | 53.6 | Low | 51.2 | Low | 118 Ų | 118 | 94.6 Ų | 94.6 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -34.4 | 175.3 | -111.6 | -83.8 | 0 | 0 | 0 | 111.9 | R2353 W2354 I2359 V2360 F2361 I2370 | R2353-F2357 PolarHBondContact O-N 3.47Å; W2354-F2357 PolarHBondContact O-N 2.86Å; W2354-F2357 VanDerWaalsContact O-N 3.09Å; F2357-I2359 PolarHBondContact O-N 3.08Å; F2357-V2360 PolarHBondContact O-N 3.28Å; F2357-F2361 HydrophobicContact CD1-CD2 4.34Å; F2357-F2361 AromaticContact CD1-CE2 3.9Å; F2357-F2361 HydrophobicContact CD1-CE2 3.9Å; F2357-F2361 VanDerWaalsContact O-CD2 3.31Å; F2357-F2361 WeakPolarHBondContact O-CD2 3.44Å; F2357-F2361 PolarHBondContact O-N 3.31Å; F2357-I2370 HydrophobicContact CE1-CD1 4.33Å |
| 2358 | D | 54.5 | Low | 52.5 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 43% | 0.428 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.6 | -34.4 | 174.3 | -93.1 | -11.1 | 0 | 0 | 0 | 112.8 | W2354 L2356 V2360 F2361 H2362 | W2354-D2358 PolarHBondContact O-N 3.37Å; L2356-D2358 VanDerWaalsContact C-N 3.3Å; L2356-D2358 PolarHBondContact O-N 3Å; D2358-V2360 VanDerWaalsContact C-N 3.32Å; D2358-V2360 PolarHBondContact O-N 2.96Å; D2358-F2361 PolarHBondContact O-N 3.17Å; D2358-H2362 PolarHBondContact O-N 3Å; D2358-H2362 VanDerWaalsContact O-N 3.14Å; D2358-H2362 PolarHBondContact O-ND1 2.93Å |
| 2359 | I | 59.2 | Low | 54.1 | Low | 27 Ų | 27 | 88.3 Ų | 88.3 | 14% | 0.138 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.9 | -63.7 | 167.3 | 0 | 0 | 0 | 110.5 | F2296 M2300 L2356 F2357 H2362 E2363 L2366 | F2296-I2359 HydrophobicContact CD2-CG1 4.31Å; F2296-I2359 HydrophobicContact CE2-CB 3.97Å; F2296-I2359 HydrophobicContact CE2-CG1 3.8Å; F2296-I2359 HydrophobicContact CE2-CG2 3.8Å; F2296-I2359 HydrophobicContact CZ-CG1 4.45Å; F2296-I2359 HydrophobicContact CZ-CG2 4.11Å; M2300-I2359 HydrophobicContact CG-CD1 4.09Å; M2300-I2359 HydrophobicContact CG-CG1 4.48Å; M2300-I2359 HydrophobicContact SD-CD1 3.55Å; M2300-I2359 VanDerWaalsContact SD-CD1 3.55Å; M2300-I2359 HydrophobicContact SD-CG1 4.35Å; L2356-I2359 HydrophobicContact CG-CD1 4.42Å; L2356-I2359 WeakPolarHBondContact O-CB 3.28Å; L2356-I2359 PolarHBondContact O-N 3.48Å; F2357-I2359 PolarHBondContact O-N 3.08Å; I2359-H2362 PolarHBondContact O-N 3.4Å; I2359-E2363 PolarHBondContact O-N 3.31Å; I2359-L2366 HydrophobicContact CG2-CD1 3.97Å |
| 2360 | V | 57.7 | Low | 55.7 | Low | 33 Ų | 33 | 86.5 Ų | 86.5 | 20% | 0.2 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69 | -35.3 | -179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | F2357 D2358 H2362 L2366 I2370 | F2357-V2360 PolarHBondContact O-N 3.28Å; D2358-V2360 VanDerWaalsContact C-N 3.32Å; D2358-V2360 PolarHBondContact O-N 2.96Å; V2360-H2362 VanDerWaalsContact C-N 3.27Å; V2360-H2362 PolarHBondContact O-N 3.31Å; V2360-L2366 HydrophobicContact CB-CB 4.45Å; V2360-L2366 HydrophobicContact CG1-CB 3.92Å; V2360-I2370 HydrophobicContact CB-CD1 4.25Å; V2360-I2370 HydrophobicContact CG1-CD1 3.18Å; V2360-I2370 HydrophobicContact CG1-CG1 3.62Å |
| 2361 | F | 56.1 | Low | 57 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.531 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -25.2 | 174.3 | -84.6 | -73 | 0 | 0 | 0 | 113.3 | F2357 D2358 R2367 | F2357-F2361 HydrophobicContact CD1-CD2 4.34Å; F2357-F2361 AromaticContact CD1-CE2 3.9Å; F2357-F2361 HydrophobicContact CD1-CE2 3.9Å; F2357-F2361 VanDerWaalsContact O-CD2 3.31Å; F2357-F2361 WeakPolarHBondContact O-CD2 3.44Å; F2357-F2361 PolarHBondContact O-N 3.31Å; D2358-F2361 PolarHBondContact O-N 3.17Å; F2361-R2367 PolarHBondContact O-NE 3.28Å; F2361-R2367 VanDerWaalsContact O-NE 3.13Å; F2361-R2367 PolarHBondContact O-NH1 3.38Å; F2361-R2367 PolarHBondContact O-NH2 2.81Å |
| 2362 | H | 58 | Low | 58.2 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -84.7 | -42.9 | -177.4 | -81 | 64.2 | 0 | 0 | 0 | 113.3 | F2296 D2358 I2359 V2360 R2367 | F2296-H2362 HydrophobicContact CD2-CB 4.29Å; F2296-H2362 HydrophobicContact CE2-CB 4.4Å; D2358-H2362 PolarHBondContact O-N 3Å; D2358-H2362 VanDerWaalsContact O-N 3.14Å; D2358-H2362 PolarHBondContact O-ND1 2.93Å; I2359-H2362 PolarHBondContact O-N 3.4Å; V2360-H2362 VanDerWaalsContact C-N 3.27Å; V2360-H2362 PolarHBondContact O-N 3.31Å; H2362-R2367 PolarHBondContact O-NH2 3.28Å |
| 2363 | E | 64.5 | Low | 59.7 | Low | 97 Ų | 97 | 89.3 Ų | 89.3 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | trans | -84.6 | 122.1 | -175.2 | -160 | 80.1 | 177.2 | 0 | 0 | 111.7 | I2359 T2365 L2366 R2367 | I2359-E2363 PolarHBondContact O-N 3.31Å; E2363-T2365 VanDerWaalsContact C-N 3.26Å; E2363-T2365 WeakPolarHBondContact CG-OG1 3.47Å; E2363-T2365 PolarHBondContact O-N 3.46Å; E2363-L2366 HydrophobicContact CB-CB 4.03Å; E2363-L2366 HydrophobicContact CB-CD1 3.75Å; E2363-L2366 HydrophobicContact CB-CG 3.91Å; E2363-L2366 HydrophobicContact CG-CD1 4.38Å; E2363-L2366 HydrophobicContact CG-CG 4.27Å; E2363-L2366 PolarHBondContact O-N 2.99Å; E2363-R2367 PolarHBondContact O-N 2.88Å | ||
| 2364 | E | 63.6 | Low | 61.3 | Low | 118 Ų | 118 | 83.7 Ų | 83.7 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.5 | -38.1 | 179.5 | -168.9 | -175.8 | 162.3 | 0 | 0 | 111.9 | R2367 N2368 | E2364-R2367 PolarHBondContact O-N 3.03Å; E2364-N2368 WeakPolarHBondContact O-CB 3.4Å; E2364-N2368 VanDerWaalsContact O-CG 3.27Å; E2364-N2368 PolarHBondContact O-N 3Å; E2364-N2368 PolarHBondContact O-ND2 2.98Å |
| 2365 | T | 63.1 | Low | 62.5 | Low | 88 Ų | 88 | 80 Ų | 80 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | E2363 N2368 V2369 | E2363-T2365 VanDerWaalsContact C-N 3.26Å; E2363-T2365 WeakPolarHBondContact CG-OG1 3.47Å; E2363-T2365 PolarHBondContact O-N 3.46Å; T2365-N2368 PolarHBondContact O-N 3.45Å; T2365-V2369 VanDerWaalsContact O-CG2 3.24Å; T2365-V2369 WeakPolarHBondContact O-CG2 3.28Å; T2365-V2369 PolarHBondContact O-N 2.93Å |
| 2366 | L | 63.8 | Low | 63.9 | Low | 63 Ų | 63 | 80.3 Ų | 80.3 | 33% | 0.33 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69 | -35.6 | 177 | -66.6 | 172.6 | 0 | 0 | 0 | 112.4 | I2359 V2360 E2363 N2368 V2369 I2370 | I2359-L2366 HydrophobicContact CG2-CD1 3.97Å; V2360-L2366 HydrophobicContact CB-CB 4.45Å; V2360-L2366 HydrophobicContact CG1-CB 3.92Å; E2363-L2366 HydrophobicContact CB-CB 4.03Å; E2363-L2366 HydrophobicContact CB-CD1 3.75Å; E2363-L2366 HydrophobicContact CB-CG 3.91Å; E2363-L2366 HydrophobicContact CG-CD1 4.38Å; E2363-L2366 HydrophobicContact CG-CG 4.27Å; E2363-L2366 PolarHBondContact O-N 2.99Å; L2366-N2368 VanDerWaalsContact C-N 3.34Å; L2366-V2369 WeakPolarHBondContact O-CB 3.23Å; L2366-V2369 PolarHBondContact O-N 3.04Å; L2366-I2370 PolarHBondContact O-N 3.1Å |
| 2367 | R | 66.3 | Low | 65.3 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 171.1 | -103.4 | -177.9 | -66.6 | -165.5 | -2 | 112.3 | F2361 H2362 E2363 E2364 V2369 I2370 R2371 | F2361-R2367 PolarHBondContact O-NE 3.28Å; F2361-R2367 VanDerWaalsContact O-NE 3.13Å; F2361-R2367 PolarHBondContact O-NH1 3.38Å; F2361-R2367 PolarHBondContact O-NH2 2.81Å; H2362-R2367 PolarHBondContact O-NH2 3.28Å; E2363-R2367 PolarHBondContact O-N 2.88Å; E2364-R2367 PolarHBondContact O-N 3.03Å; R2367-V2369 VanDerWaalsContact C-N 3.29Å; R2367-I2370 PolarHBondContact O-N 3.49Å; R2367-R2371 WeakPolarHBondContact O-CB 3.23Å; R2367-R2371 PolarHBondContact O-N 2.9Å |
| 2368 | N | 66.9 | Low | 66.3 | Low | 46 Ų | 46 | 85.5 Ų | 85.5 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | 174 | -71.4 | -22.2 | 0 | 0 | 0 | 111.1 | E2364 T2365 L2366 R2371 S2372 F2511 | E2364-N2368 WeakPolarHBondContact O-CB 3.4Å; E2364-N2368 VanDerWaalsContact O-CG 3.27Å; E2364-N2368 PolarHBondContact O-N 3Å; E2364-N2368 PolarHBondContact O-ND2 2.98Å; T2365-N2368 PolarHBondContact O-N 3.45Å; L2366-N2368 VanDerWaalsContact C-N 3.34Å; N2368-R2371 PolarHBondContact O-N 3.04Å; N2368-S2372 WeakPolarHBondContact O-CB 3.21Å; N2368-S2372 PolarHBondContact O-N 2.98Å; N2368-F2511 HydrophobicContact CB-CE1 4.42Å |
| 2369 | V | 68 | Low | 67.5 | Low | 67 Ų | 67 | 84.2 Ų | 84.2 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 169.4 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | T2365 L2366 R2367 R2371 S2372 V2373 F2511 | T2365-V2369 VanDerWaalsContact O-CG2 3.24Å; T2365-V2369 WeakPolarHBondContact O-CG2 3.28Å; T2365-V2369 PolarHBondContact O-N 2.93Å; L2366-V2369 WeakPolarHBondContact O-CB 3.23Å; L2366-V2369 PolarHBondContact O-N 3.04Å; R2367-V2369 VanDerWaalsContact C-N 3.29Å; V2369-R2371 PolarHBondContact O-N 2.99Å; V2369-S2372 PolarHBondContact O-N 3.41Å; V2369-S2372 PolarHBondContact O-OG 3.34Å; V2369-V2373 PolarHBondContact O-N 3.28Å; V2369-F2511 HydrophobicContact CB-CZ 4.16Å; V2369-F2511 HydrophobicContact CG2-CE1 4.39Å; V2369-F2511 HydrophobicContact CG2-CZ 3.72Å |
| 2370 | I | 69 | Low | 68.5 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 33% | 0.328 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.5 | -69.6 | -162.1 | 0 | 0 | 0 | 111.7 | F2357 V2360 L2366 R2367 S2372 V2373 T2374 | F2357-I2370 HydrophobicContact CE1-CD1 4.33Å; V2360-I2370 HydrophobicContact CB-CD1 4.25Å; V2360-I2370 HydrophobicContact CG1-CD1 3.18Å; V2360-I2370 HydrophobicContact CG1-CG1 3.62Å; L2366-I2370 PolarHBondContact O-N 3.1Å; R2367-I2370 PolarHBondContact O-N 3.49Å; I2370-S2372 VanDerWaalsContact C-N 3.3Å; I2370-S2372 PolarHBondContact O-N 3.37Å; I2370-V2373 PolarHBondContact O-N 3.48Å; I2370-T2374 HydrophobicContact CG2-CG2 3.88Å; I2370-T2374 WeakPolarHBondContact O-CB 3.42Å; I2370-T2374 WeakPolarHBondContact O-CG2 3.11Å; I2370-T2374 PolarHBondContact O-N 3.37Å; I2370-T2374 PolarHBondContact O-OG1 2.81Å |
| 2371 | R | 68.1 | Low | 69.5 | Low | 156 Ų | 156 | 84.5 Ų | 84.5 | 59% | 0.589 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.7 | -39.1 | 176.7 | -87.7 | -176.7 | 170.7 | 170.6 | -4.5 | 112.1 | R2367 N2368 V2369 V2373 T2374 R2375 L2514 | R2367-R2371 WeakPolarHBondContact O-CB 3.23Å; R2367-R2371 PolarHBondContact O-N 2.9Å; N2368-R2371 PolarHBondContact O-N 3.04Å; V2369-R2371 PolarHBondContact O-N 2.99Å; R2371-V2373 PolarHBondContact O-N 3.27Å; R2371-T2374 VanDerWaalsContact CA-OG1 3.29Å; R2371-T2374 WeakPolarHBondContact CA-OG1 3.24Å; R2371-T2374 PolarHBondContact O-N 2.75Å; R2371-T2374 PolarHBondContact O-OG1 3Å; R2371-R2375 VanDerWaalsContact O-CB 3.23Å; R2371-R2375 WeakPolarHBondContact O-CB 3.19Å; R2371-R2375 PolarHBondContact O-N 3.31Å; R2371-L2514 HydrophobicContact CB-CD1 4.24Å |
| 2372 | S | 69.4 | Low | 70.5 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 177.5 | 76.5 | 0 | 0 | 0 | 0 | 112 | N2368 V2369 I2370 T2510 F2511 | N2368-S2372 WeakPolarHBondContact O-CB 3.21Å; N2368-S2372 PolarHBondContact O-N 2.98Å; V2369-S2372 PolarHBondContact O-N 3.41Å; V2369-S2372 PolarHBondContact O-OG 3.34Å; I2370-S2372 VanDerWaalsContact C-N 3.3Å; I2370-S2372 PolarHBondContact O-N 3.37Å; S2372-T2510 VanDerWaalsContact CA-OG1 3.32Å; S2372-T2510 WeakPolarHBondContact CA-OG1 3.42Å; S2372-T2510 WeakPolarHBondContact CB-OG1 3.47Å; S2372-T2510 WeakPolarHBondContact O-CB 3.23Å; S2372-T2510 WeakPolarHBondContact O-CG2 3.45Å; S2372-T2510 PolarHBondContact O-OG1 2.85Å; S2372-F2511 WeakPolarHBondContact OG-CE2 3.45Å |
| 2373 | V | 70.6 | Confident | 71.6 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82.3 | -41 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | V2369 I2370 R2371 W2377 I2380 I2507 | V2369-V2373 PolarHBondContact O-N 3.28Å; I2370-V2373 PolarHBondContact O-N 3.48Å; R2371-V2373 PolarHBondContact O-N 3.27Å; V2373-W2377 PolarHBondContact O-N 2.82Å; V2373-I2380 HydrophobicContact CB-CD1 4.36Å; V2373-I2380 HydrophobicContact CG1-CD1 3.9Å; V2373-I2380 WeakPolarHBondContact O-CD1 3.41Å; V2373-I2507 HydrophobicContact CG2-CD1 4.13Å; V2373-I2507 HydrophobicContact CG2-CG1 4.32Å |
| 2374 | T | 72.5 | Confident | 72.4 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.6 | -27.9 | -174.2 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | I2370 R2371 W2377 | I2370-T2374 HydrophobicContact CG2-CG2 3.88Å; I2370-T2374 WeakPolarHBondContact O-CB 3.42Å; I2370-T2374 WeakPolarHBondContact O-CG2 3.11Å; I2370-T2374 PolarHBondContact O-N 3.37Å; I2370-T2374 PolarHBondContact O-OG1 2.81Å; R2371-T2374 VanDerWaalsContact CA-OG1 3.29Å; R2371-T2374 WeakPolarHBondContact CA-OG1 3.24Å; R2371-T2374 PolarHBondContact O-N 2.75Å; R2371-T2374 PolarHBondContact O-OG1 3Å; T2374-W2377 WeakPolarHBondContact O-CB 3.3Å; T2374-W2377 VanDerWaalsContact O-CD1 3.25Å; T2374-W2377 PolarHBondContact O-N 2.97Å |
| 2375 | R | 71 | Confident | 73.2 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.7 | -46.1 | -178.5 | -166.8 | 176.1 | 179.5 | 145.5 | -3.9 | 112.2 | R2371 E2517 | R2371-R2375 VanDerWaalsContact O-CB 3.23Å; R2371-R2375 WeakPolarHBondContact O-CB 3.19Å; R2371-R2375 PolarHBondContact O-N 3.31Å; R2375-E2517 IonicContact CZ-OE2 3.23Å; R2375-E2517 IonicContact NH1-OE2 3.32Å; R2375-E2517 PolarHBondContact NH1-OE2 2.74Å; R2375-E2517 IonicContact NH2-OE2 3.4Å; R2375-E2517 PolarHBondContact NH2-OE2 2.86Å |
| 2376 | N | 76.8 | Confident | 74.1 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 30.9 | 175 | -78.1 | -6.8 | 0 | 0 | 0 | 112.5 | R2378 S2379 I2380 V2506 T2510 | N2376-R2378 PolarHBondContact O-N 3.36Å; N2376-S2379 PolarHBondContact O-N 3.46Å; N2376-I2380 PolarHBondContact O-N 3.48Å; N2376-V2506 HydrophobicContact CB-CG1 3.8Å; N2376-T2510 HydrophobicContact CB-CG2 3.65Å; N2376-T2510 WeakPolarHBondContact ND2-CG2 3.36Å |
| 2377 | W | 78 | Confident | 74.9 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 56% | 0.564 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.8 | -32.7 | -178.4 | 78.2 | -88 | 0 | 0 | 0 | 112.5 | V2373 T2374 A2381 | V2373-W2377 PolarHBondContact O-N 2.82Å; T2374-W2377 WeakPolarHBondContact O-CB 3.3Å; T2374-W2377 VanDerWaalsContact O-CD1 3.25Å; T2374-W2377 PolarHBondContact O-N 2.97Å; W2377-A2381 HydrophobicContact CE3-CB 4.25Å; W2377-A2381 HydrophobicContact CZ3-CB 4.5Å; W2377-A2381 WeakPolarHBondContact O-CB 3.49Å; W2377-A2381 PolarHBondContact O-N 3.27Å |
| 2378 | R | 76.3 | Confident | 75.7 | Confident | 178 Ų | 178 | 72.7 Ų | 72.7 | 67% | 0.672 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -47.3 | 175.8 | -70.8 | -173.3 | 173.1 | 129.1 | -3 | 111.9 | N2376 A2381 L2382 | N2376-R2378 PolarHBondContact O-N 3.36Å; R2378-A2381 PolarHBondContact O-N 3.3Å; R2378-L2382 WeakPolarHBondContact O-CB 3.47Å; R2378-L2382 VanDerWaalsContact O-CG 3.27Å; R2378-L2382 WeakPolarHBondContact O-CG 3.27Å; R2378-L2382 PolarHBondContact O-N 3.28Å |
| 2379 | S | 78.5 | Confident | 76.4 | Confident | 52 Ų | 52 | 75 Ų | 75 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 177.9 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | N2376 A2381 L2382 T2383 | N2376-S2379 PolarHBondContact O-N 3.46Å; S2379-A2381 PolarHBondContact O-N 3.1Å; S2379-L2382 PolarHBondContact O-N 3.03Å; S2379-T2383 PolarHBondContact O-N 2.89Å; S2379-T2383 PolarHBondContact O-OG1 3.43Å |
| 2380 | I | 80.7 | Confident | 77.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176 | -63.3 | 176.7 | 0 | 0 | 0 | 110.9 | V2373 N2376 T2383 G2384 V2506 I2507 | V2373-I2380 HydrophobicContact CB-CD1 4.36Å; V2373-I2380 HydrophobicContact CG1-CD1 3.9Å; V2373-I2380 WeakPolarHBondContact O-CD1 3.41Å; N2376-I2380 PolarHBondContact O-N 3.48Å; I2380-T2383 CarbonylContact O-C 3.48Å; I2380-T2383 PolarHBondContact O-N 2.59Å; I2380-G2384 PolarHBondContact O-N 3.08Å; I2380-V2506 HydrophobicContact CD1-CG1 4.48Å; I2380-V2506 HydrophobicContact CG1-CB 4.47Å; I2380-V2506 HydrophobicContact CG1-CG1 3.82Å; I2380-I2507 HydrophobicContact CD1-CD1 4.41Å; I2380-I2507 HydrophobicContact CD1-CG1 3.9Å |
| 2381 | A | 77.6 | Confident | 77.9 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W2377 R2378 S2379 T2383 G2384 I2385 | W2377-A2381 HydrophobicContact CE3-CB 4.25Å; W2377-A2381 HydrophobicContact CZ3-CB 4.5Å; W2377-A2381 WeakPolarHBondContact O-CB 3.49Å; W2377-A2381 PolarHBondContact O-N 3.27Å; R2378-A2381 PolarHBondContact O-N 3.3Å; S2379-A2381 PolarHBondContact O-N 3.1Å; A2381-T2383 VanDerWaalsContact C-N 3.33Å; A2381-T2383 PolarHBondContact O-N 3.06Å; A2381-G2384 CarbonylContact O-C 3.5Å; A2381-G2384 PolarHBondContact O-N 3.45Å; A2381-I2385 VanDerWaalsContact O-CG1 3.25Å; A2381-I2385 WeakPolarHBondContact O-CG1 3.36Å; A2381-I2385 PolarHBondContact O-N 3.2Å |
| 2382 | L | 78.8 | Confident | 78.6 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 62% | 0.618 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 173.9 | -73.8 | 166.1 | 0 | 0 | 0 | 111.7 | R2378 S2379 G2384 I2385 L2386 | R2378-L2382 WeakPolarHBondContact O-CB 3.47Å; R2378-L2382 VanDerWaalsContact O-CG 3.27Å; R2378-L2382 WeakPolarHBondContact O-CG 3.27Å; R2378-L2382 PolarHBondContact O-N 3.28Å; S2379-L2382 PolarHBondContact O-N 3.03Å; L2382-G2384 VanDerWaalsContact C-N 3.34Å; L2382-I2385 PolarHBondContact O-N 2.85Å; L2382-L2386 PolarHBondContact O-N 3.38Å |
| 2383 | T | 81.1 | Confident | 79.3 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.6 | -39.5 | 0 | 0 | 0 | 0 | 111.3 | S2379 I2380 A2381 L2386 A2387 L2502 I2503 | S2379-T2383 PolarHBondContact O-N 2.89Å; S2379-T2383 PolarHBondContact O-OG1 3.43Å; I2380-T2383 CarbonylContact O-C 3.48Å; I2380-T2383 PolarHBondContact O-N 2.59Å; A2381-T2383 VanDerWaalsContact C-N 3.33Å; A2381-T2383 PolarHBondContact O-N 3.06Å; T2383-L2386 WeakPolarHBondContact O-CB 3.5Å; T2383-L2386 PolarHBondContact O-N 2.87Å; T2383-A2387 PolarHBondContact O-N 3.15Å; T2383-L2502 HydrophobicContact CG2-CB 3.92Å; T2383-I2503 HydrophobicContact CG2-CG1 3.86Å |
| 2384 | G | 79.7 | Confident | 80 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2380 A2381 L2382 L2386 A2387 V2388 | I2380-G2384 PolarHBondContact O-N 3.08Å; A2381-G2384 CarbonylContact O-C 3.5Å; A2381-G2384 PolarHBondContact O-N 3.45Å; L2382-G2384 VanDerWaalsContact C-N 3.34Å; G2384-L2386 VanDerWaalsContact C-N 3.33Å; G2384-A2387 VanDerWaalsContact O-CB 3.29Å; G2384-A2387 WeakPolarHBondContact O-CB 3.43Å; G2384-A2387 PolarHBondContact O-N 3.5Å; G2384-A2387 VanDerWaalsContact O-N 3.16Å; G2384-V2388 WeakPolarHBondContact O-CG2 3.22Å; G2384-V2388 PolarHBondContact O-N 3.46Å |
| 2385 | I | 80.5 | Confident | 80.4 | Confident | 98 Ų | 98 | 66 Ų | 66 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 172.9 | -70.8 | 163.6 | 0 | 0 | 0 | 109.9 | A2381 L2382 A2387 V2388 I2389 | A2381-I2385 VanDerWaalsContact O-CG1 3.25Å; A2381-I2385 WeakPolarHBondContact O-CG1 3.36Å; A2381-I2385 PolarHBondContact O-N 3.2Å; L2382-I2385 PolarHBondContact O-N 2.85Å; I2385-A2387 VanDerWaalsContact C-N 3.33Å; I2385-A2387 PolarHBondContact O-N 3.34Å; I2385-V2388 PolarHBondContact O-N 3.42Å; I2385-I2389 HydrophobicContact CG2-CD1 3.94Å; I2385-I2389 VanDerWaalsContact O-CG1 3.31Å; I2385-I2389 WeakPolarHBondContact O-CG1 3.49Å; I2385-I2389 PolarHBondContact O-N 3.14Å |
| 2386 | L | 83.2 | Confident | 80.9 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 41% | 0.414 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 172.2 | 179.4 | 68.1 | 0 | 0 | 0 | 111.4 | L2382 T2383 G2384 V2388 I2389 L2390 | L2382-L2386 PolarHBondContact O-N 3.38Å; T2383-L2386 WeakPolarHBondContact O-CB 3.5Å; T2383-L2386 PolarHBondContact O-N 2.87Å; G2384-L2386 VanDerWaalsContact C-N 3.33Å; L2386-V2388 VanDerWaalsContact C-N 3.33Å; L2386-V2388 PolarHBondContact O-N 3.4Å; L2386-I2389 PolarHBondContact O-N 3.19Å; L2386-L2390 HydrophobicContact CD1-CD1 4.35Å; L2386-L2390 HydrophobicContact CD1-CG 4.48Å; L2386-L2390 HydrophobicContact CG-CD1 4.02Å; L2386-L2390 WeakPolarHBondContact O-CB 3.36Å; L2386-L2390 WeakPolarHBondContact O-CG 3.43Å; L2386-L2390 PolarHBondContact O-N 3.45Å |
| 2387 | A | 80.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T2383 G2384 I2385 L2390 V2391 L2495 V2499 | T2383-A2387 PolarHBondContact O-N 3.15Å; G2384-A2387 VanDerWaalsContact O-CB 3.29Å; G2384-A2387 WeakPolarHBondContact O-CB 3.43Å; G2384-A2387 PolarHBondContact O-N 3.5Å; G2384-A2387 VanDerWaalsContact O-N 3.16Å; I2385-A2387 VanDerWaalsContact C-N 3.33Å; I2385-A2387 PolarHBondContact O-N 3.34Å; A2387-L2390 PolarHBondContact O-N 3.02Å; A2387-V2391 WeakPolarHBondContact O-CB 3.45Å; A2387-V2391 VanDerWaalsContact O-CG2 3.31Å; A2387-V2391 WeakPolarHBondContact O-CG2 3.49Å; A2387-V2391 PolarHBondContact O-N 2.81Å; A2387-L2495 HydrophobicContact CB-CD2 4.44Å; A2387-V2499 HydrophobicContact CB-CG1 3.56Å |
| 2388 | V | 81.6 | Confident | 80.9 | Confident | 86 Ų | 86 | 56 Ų | 56 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | G2384 I2385 L2386 L2390 V2391 Y2392 | G2384-V2388 WeakPolarHBondContact O-CG2 3.22Å; G2384-V2388 PolarHBondContact O-N 3.46Å; I2385-V2388 PolarHBondContact O-N 3.42Å; L2386-V2388 VanDerWaalsContact C-N 3.33Å; L2386-V2388 PolarHBondContact O-N 3.4Å; V2388-L2390 VanDerWaalsContact C-N 3.33Å; V2388-V2391 PolarHBondContact O-N 3.46Å; V2388-Y2392 VanDerWaalsContact O-CB 3.23Å; V2388-Y2392 WeakPolarHBondContact O-CB 3.4Å; V2388-Y2392 PolarHBondContact O-N 2.93Å |
| 2389 | I | 82.7 | Confident | 81 | Confident | 94 Ų | 94 | 50.5 Ų | 50.5 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.1 | -68.3 | 165.5 | 0 | 0 | 0 | 110.6 | I2385 L2386 Y2392 T2393 | I2385-I2389 HydrophobicContact CG2-CD1 3.94Å; I2385-I2389 VanDerWaalsContact O-CG1 3.31Å; I2385-I2389 WeakPolarHBondContact O-CG1 3.49Å; I2385-I2389 PolarHBondContact O-N 3.14Å; L2386-I2389 PolarHBondContact O-N 3.19Å; I2389-Y2392 WeakPolarHBondContact O-CB 3.16Å; I2389-Y2392 PolarHBondContact O-N 3.35Å; I2389-T2393 WeakPolarHBondContact O-CB 3.49Å; I2389-T2393 PolarHBondContact O-N 2.75Å; I2389-T2393 PolarHBondContact O-OG1 3.32Å |
| 2390 | L | 84.5 | Confident | 81 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 176.8 | -74.4 | 168.6 | 0 | 0 | 0 | 111.2 | L2386 A2387 V2388 Y2392 T2393 F2394 I2494 L2495 V2499 | L2386-L2390 HydrophobicContact CD1-CD1 4.35Å; L2386-L2390 HydrophobicContact CD1-CG 4.48Å; L2386-L2390 HydrophobicContact CG-CD1 4.02Å; L2386-L2390 WeakPolarHBondContact O-CB 3.36Å; L2386-L2390 WeakPolarHBondContact O-CG 3.43Å; L2386-L2390 PolarHBondContact O-N 3.45Å; A2387-L2390 PolarHBondContact O-N 3.02Å; V2388-L2390 VanDerWaalsContact C-N 3.33Å; L2390-Y2392 VanDerWaalsContact C-N 3.31Å; L2390-Y2392 PolarHBondContact O-N 3.36Å; L2390-T2393 WeakPolarHBondContact O-CB 3.16Å; L2390-T2393 PolarHBondContact O-N 2.99Å; L2390-T2393 VanDerWaalsContact O-N 3.07Å; L2390-F2394 VanDerWaalsContact O-CD2 3.25Å; L2390-F2394 WeakPolarHBondContact O-CD2 3.42Å; L2390-F2394 PolarHBondContact O-N 3Å; L2390-I2494 HydrophobicContact CD1-CG2 3.91Å; L2390-I2494 HydrophobicContact CD2-CG2 4Å; L2390-L2495 HydrophobicContact CB-CD1 4.42Å; L2390-L2495 HydrophobicContact CB-CD2 3.59Å; L2390-L2495 HydrophobicContact CB-CG 4.03Å; L2390-L2495 HydrophobicContact CD1-CD2 4.28Å; L2390-V2499 HydrophobicContact CD1-CG2 3.51Å |
| 2391 | V | 83.2 | Confident | 80.7 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.6 | -49.7 | 173.3 | 166 | 0 | 0 | 0 | 0 | 109.8 | A2387 V2388 T2393 F2394 S2395 V2456 L2457 L2461 L2495 | A2387-V2391 WeakPolarHBondContact O-CB 3.45Å; A2387-V2391 VanDerWaalsContact O-CG2 3.31Å; A2387-V2391 WeakPolarHBondContact O-CG2 3.49Å; A2387-V2391 PolarHBondContact O-N 2.81Å; V2388-V2391 PolarHBondContact O-N 3.46Å; V2391-T2393 VanDerWaalsContact C-N 3.29Å; V2391-T2393 PolarHBondContact O-N 2.99Å; V2391-F2394 CarbonylContact O-C 3.59Å; V2391-F2394 PolarHBondContact O-N 3.2Å; V2391-S2395 WeakPolarHBondContact O-CB 2.92Å; V2391-S2395 PolarHBondContact O-N 2.91Å; V2391-S2395 PolarHBondContact O-OG 3.36Å; V2391-V2456 HydrophobicContact CG1-CB 4.42Å; V2391-V2456 HydrophobicContact CG1-CG1 4Å; V2391-L2457 HydrophobicContact CB-CD1 4.47Å; V2391-L2457 HydrophobicContact CG1-CB 4.14Å; V2391-L2457 HydrophobicContact CG1-CD1 3.97Å; V2391-L2457 HydrophobicContact CG2-CD1 4.39Å; V2391-L2461 HydrophobicContact CG2-CD1 4.18Å; V2391-L2461 HydrophobicContact CG2-CD2 4.38Å; V2391-L2461 HydrophobicContact CG2-CG 4.37Å; V2391-L2495 HydrophobicContact CG2-CD1 3.8Å; V2391-L2495 HydrophobicContact CG2-CD2 3.92Å |
| 2392 | Y | 83 | Confident | 80.5 | Confident | 110 Ų | 110 | 53.7 Ų | 53.7 | 43% | 0.431 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.2 | -43.6 | 176.1 | 177 | -102.8 | 0 | 0 | 0 | 112.3 | V2388 I2389 L2390 S2395 I2396 L2449 I2453 | V2388-Y2392 VanDerWaalsContact O-CB 3.23Å; V2388-Y2392 WeakPolarHBondContact O-CB 3.4Å; V2388-Y2392 PolarHBondContact O-N 2.93Å; I2389-Y2392 WeakPolarHBondContact O-CB 3.16Å; I2389-Y2392 PolarHBondContact O-N 3.35Å; L2390-Y2392 VanDerWaalsContact C-N 3.31Å; L2390-Y2392 PolarHBondContact O-N 3.36Å; Y2392-S2395 PolarHBondContact O-N 3.47Å; Y2392-I2396 HydrophobicContact CD1-CD1 3.85Å; Y2392-I2396 HydrophobicContact CE1-CD1 3.33Å; Y2392-I2396 HydrophobicContact CE1-CG1 4.4Å; Y2392-I2396 HydrophobicContact CE2-CD1 4.26Å; Y2392-I2396 WeakPolarHBondContact O-CG1 3.26Å; Y2392-I2396 PolarHBondContact O-N 3Å; Y2392-L2449 HydrophobicContact CE2-CD2 4.3Å; Y2392-I2453 HydrophobicContact CD2-CD1 3.43Å; Y2392-I2453 VanDerWaalsContact CD2-CD1 3.43Å; Y2392-I2453 HydrophobicContact CD2-CG1 4.05Å; Y2392-I2453 HydrophobicContact CE2-CD1 3.64Å |
| 2393 | T | 83.1 | Confident | 79.7 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 177.8 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | I2389 L2390 V2391 S2395 I2396 V2397 | I2389-T2393 WeakPolarHBondContact O-CB 3.49Å; I2389-T2393 PolarHBondContact O-N 2.75Å; I2389-T2393 PolarHBondContact O-OG1 3.32Å; L2390-T2393 WeakPolarHBondContact O-CB 3.16Å; L2390-T2393 PolarHBondContact O-N 2.99Å; L2390-T2393 VanDerWaalsContact O-N 3.07Å; V2391-T2393 VanDerWaalsContact C-N 3.29Å; V2391-T2393 PolarHBondContact O-N 2.99Å; T2393-S2395 VanDerWaalsContact C-N 3.33Å; T2393-S2395 PolarHBondContact O-N 2.97Å; T2393-I2396 PolarHBondContact O-N 3.09Å; T2393-V2397 WeakPolarHBondContact O-CG2 3.44Å; T2393-V2397 PolarHBondContact O-N 3.17Å |
| 2394 | F | 85.3 | Confident | 78.9 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.4 | -84.4 | -77.5 | 0 | 0 | 0 | 111.4 | L2390 V2391 I2396 V2397 G2398 Y2487 S2490 F2491 I2494 L2495 | L2390-F2394 VanDerWaalsContact O-CD2 3.25Å; L2390-F2394 WeakPolarHBondContact O-CD2 3.42Å; L2390-F2394 PolarHBondContact O-N 3Å; V2391-F2394 CarbonylContact O-C 3.59Å; V2391-F2394 PolarHBondContact O-N 3.2Å; F2394-I2396 PolarHBondContact O-N 2.79Å; F2394-V2397 PolarHBondContact O-N 3.26Å; F2394-G2398 PolarHBondContact O-N 3.38Å; F2394-Y2487 HydrophobicContact CB-CE2 4.37Å; F2394-Y2487 AromaticContact CD1-CD2 3.99Å; F2394-Y2487 HydrophobicContact CD1-CD2 3.99Å; F2394-Y2487 AromaticContact CD1-CE2 3.56Å; F2394-Y2487 HydrophobicContact CD1-CE2 3.56Å; F2394-Y2487 HydrophobicContact CE1-CD2 4.38Å; F2394-Y2487 HydrophobicContact CE1-CE2 4.38Å; F2394-Y2487 HydrophobicContact CG-CE2 4.45Å; F2394-Y2487 WeakPolarHBondContact O-CE2 3.15Å; F2394-Y2487 PolarHBondContact O-OH 2.98Å; F2394-S2490 WeakPolarHBondContact CE1-OG 3.31Å; F2394-S2490 VanDerWaalsContact CZ-C 3.5Å; F2394-S2490 WeakPolarHBondContact CZ-O 3.36Å; F2394-F2491 HydrophobicContact CB-CD2 3.81Å; F2394-F2491 HydrophobicContact CB-CE2 4.15Å; F2394-F2491 HydrophobicContact CD1-CB 3.9Å; F2394-F2491 AromaticContact CD1-CD2 3.74Å; F2394-F2491 HydrophobicContact CD1-CD2 3.74Å; F2394-F2491 HydrophobicContact CD1-CG 4.32Å; F2394-F2491 HydrophobicContact CD2-CD2 4.05Å; F2394-F2491 VanDerWaalsContact CE1-CA 3.47Å; F2394-F2491 HydrophobicContact CE1-CB 3.73Å; F2394-F2491 HydrophobicContact CE1-CD2 4.33Å; F2394-F2491 VanDerWaalsContact CE1-N 3.33Å; F2394-F2491 AromaticContact CG-CD2 3.6Å; F2394-F2491 HydrophobicContact CG-CD2 3.6Å; F2394-F2491 HydrophobicContact CG-CE2 4.31Å; F2394-F2491 VanDerWaalsContact CZ-CA 3.47Å; F2394-F2491 HydrophobicContact CZ-CB 4.2Å; F2394-I2494 HydrophobicContact CE2-CB 4.28Å; F2394-I2494 HydrophobicContact CE2-CG2 4.37Å; F2394-I2494 HydrophobicContact CZ-CB 4.36Å; F2394-I2494 HydrophobicContact CZ-CD1 4.24Å; F2394-L2495 HydrophobicContact CD2-CD1 3.46Å; F2394-L2495 VanDerWaalsContact CD2-CD1 3.46Å; F2394-L2495 HydrophobicContact CD2-CG 4.19Å; F2394-L2495 HydrophobicContact CE2-CD1 3.96Å; F2394-L2495 HydrophobicContact CE2-CG 4.25Å; F2394-L2495 HydrophobicContact CG-CD1 4.18Å |
| 2395 | S | 81.9 | Confident | 78.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 113 | V2391 Y2392 T2393 F2399 I2453 V2456 | V2391-S2395 WeakPolarHBondContact O-CB 2.92Å; V2391-S2395 PolarHBondContact O-N 2.91Å; V2391-S2395 PolarHBondContact O-OG 3.36Å; Y2392-S2395 PolarHBondContact O-N 3.47Å; T2393-S2395 VanDerWaalsContact C-N 3.33Å; T2393-S2395 PolarHBondContact O-N 2.97Å; S2395-F2399 WeakPolarHBondContact O-CB 3.49Å; S2395-F2399 PolarHBondContact O-N 2.93Å; S2395-I2453 VanDerWaalsContact CB-CG1 3.47Å; S2395-I2453 WeakPolarHBondContact OG-CA 3.33Å; S2395-V2456 WeakPolarHBondContact OG-CB 3.49Å |
| 2396 | I | 81.9 | Confident | 77.4 | Confident | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 171.9 | -70.9 | 168.3 | 0 | 0 | 0 | 110.3 | Y2392 T2393 F2394 G2398 F2399 V2400 L2449 | Y2392-I2396 HydrophobicContact CD1-CD1 3.85Å; Y2392-I2396 HydrophobicContact CE1-CD1 3.33Å; Y2392-I2396 HydrophobicContact CE1-CG1 4.4Å; Y2392-I2396 HydrophobicContact CE2-CD1 4.26Å; Y2392-I2396 WeakPolarHBondContact O-CG1 3.26Å; Y2392-I2396 PolarHBondContact O-N 3Å; T2393-I2396 PolarHBondContact O-N 3.09Å; F2394-I2396 PolarHBondContact O-N 2.79Å; I2396-G2398 VanDerWaalsContact C-N 3.29Å; I2396-G2398 PolarHBondContact O-N 2.66Å; I2396-F2399 PolarHBondContact O-N 3.37Å; I2396-V2400 HydrophobicContact CG2-CG2 4.28Å; I2396-V2400 WeakPolarHBondContact O-CB 3.42Å; I2396-V2400 VanDerWaalsContact O-CG2 3.32Å; I2396-V2400 WeakPolarHBondContact O-CG2 3.44Å; I2396-V2400 PolarHBondContact O-N 2.98Å; I2396-L2449 HydrophobicContact CB-CD1 4.24Å; I2396-L2449 HydrophobicContact CG1-CD1 3.59Å; I2396-L2449 HydrophobicContact CG1-CD2 3.91Å; I2396-L2449 HydrophobicContact CG1-CG 4.38Å |
| 2397 | V | 81.5 | Confident | 76.1 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | T2393 F2394 V2400 L2401 Y2487 | T2393-V2397 WeakPolarHBondContact O-CG2 3.44Å; T2393-V2397 PolarHBondContact O-N 3.17Å; F2394-V2397 PolarHBondContact O-N 3.26Å; V2397-V2400 PolarHBondContact O-N 3.44Å; V2397-L2401 HydrophobicContact CG1-CD1 3.82Å; V2397-L2401 WeakPolarHBondContact O-CB 3.06Å; V2397-L2401 PolarHBondContact O-N 3.21Å; V2397-Y2487 HydrophobicContact CB-CD2 4.29Å; V2397-Y2487 HydrophobicContact CB-CE2 3.95Å; V2397-Y2487 HydrophobicContact CG1-CD2 3.63Å; V2397-Y2487 HydrophobicContact CG1-CE2 3.79Å |
| 2398 | G | 73.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2394 I2396 F2402 S2403 | F2394-G2398 PolarHBondContact O-N 3.38Å; I2396-G2398 VanDerWaalsContact C-N 3.29Å; I2396-G2398 PolarHBondContact O-N 2.66Å; G2398-F2402 CarbonylContact O-C 3.59Å; G2398-F2402 WeakPolarHBondContact O-CA 3.35Å; G2398-F2402 VanDerWaalsContact O-CB 3.31Å; G2398-F2402 WeakPolarHBondContact O-CB 3.44Å; G2398-F2402 PolarHBondContact O-N 2.78Å; G2398-S2403 PolarHBondContact O-N 3.31Å |
| 2399 | F | 77.9 | Confident | 73 | Confident | 63 Ų | 63 | 51 Ų | 51 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 178.8 | 179.7 | -104.5 | 0 | 0 | 0 | 112.6 | S2395 I2396 S2403 C2446 D2447 T2448 L2449 C2452 | S2395-F2399 WeakPolarHBondContact O-CB 3.49Å; S2395-F2399 PolarHBondContact O-N 2.93Å; I2396-F2399 PolarHBondContact O-N 3.37Å; F2399-S2403 WeakPolarHBondContact O-CB 3.47Å; F2399-S2403 PolarHBondContact O-OG 3.48Å; F2399-C2446 WeakPolarHBondContact CD2-O 3.19Å; F2399-C2446 VanDerWaalsContact CD2-SG 3.59Å; F2399-C2446 WeakPolarHBondContact CE2-O 3.32Å; F2399-D2447 WeakPolarHBondContact CE2-O 3.33Å; F2399-T2448 VanDerWaalsContact CE2-C 3.44Å; F2399-L2449 HydrophobicContact CB-CD1 3.9Å; F2399-L2449 HydrophobicContact CD1-CB 4.2Å; F2399-L2449 HydrophobicContact CD1-CD1 4.29Å; F2399-L2449 HydrophobicContact CE1-CB 4.38Å; F2399-L2449 HydrophobicContact CG-CB 4.32Å; F2399-L2449 HydrophobicContact CG-CD1 4.16Å; F2399-C2452 HydrophobicContact CB-CB 4.22Å; F2399-C2452 HydrophobicContact CD2-CB 4.32Å |
| 2400 | V | 77.4 | Confident | 71 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 61% | 0.612 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -81.5 | -43.8 | -176 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | I2396 V2397 | I2396-V2400 HydrophobicContact CG2-CG2 4.28Å; I2396-V2400 WeakPolarHBondContact O-CB 3.42Å; I2396-V2400 VanDerWaalsContact O-CG2 3.32Å; I2396-V2400 WeakPolarHBondContact O-CG2 3.44Å; I2396-V2400 PolarHBondContact O-N 2.98Å; V2397-V2400 PolarHBondContact O-N 3.44Å |
| 2401 | L | 75.5 | Confident | 68.7 | Low | 78 Ų | 78 | 55.7 Ų | 55.7 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -94.9 | -26.5 | -175.1 | -63.6 | 177.9 | 0 | 0 | 0 | 113.3 | V2397 | V2397-L2401 HydrophobicContact CG1-CD1 3.82Å; V2397-L2401 WeakPolarHBondContact O-CB 3.06Å; V2397-L2401 PolarHBondContact O-N 3.21Å |
| 2402 | F | 73.8 | Confident | 66.4 | Low | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -133.9 | 17.8 | -164.4 | -56.2 | -56.8 | 0 | 0 | 0 | 113.8 | G2398 G2404 D2405 F2406 L2480 R2484 Y2487 | G2398-F2402 CarbonylContact O-C 3.59Å; G2398-F2402 WeakPolarHBondContact O-CA 3.35Å; G2398-F2402 VanDerWaalsContact O-CB 3.31Å; G2398-F2402 WeakPolarHBondContact O-CB 3.44Å; G2398-F2402 PolarHBondContact O-N 2.78Å; F2402-G2404 PolarHBondContact O-N 3.41Å; F2402-G2404 VanDerWaalsContact O-N 3.07Å; F2402-D2405 PolarHBondContact O-N 3.26Å; F2402-F2406 WeakPolarHBondContact O-CD2 3.23Å; F2402-L2480 HydrophobicContact CE1-CB 4.42Å; F2402-R2484 HydrophobicContact CD1-CB 4.48Å; F2402-R2484 VanDerWaalsContact CD1-NH1 3.26Å; F2402-R2484 HydrophobicContact CE1-CB 3.72Å; F2402-R2484 HydrophobicContact CE1-CG 4.3Å; F2402-R2484 HydrophobicContact CZ-CB 4Å; F2402-Y2487 HydrophobicContact CD2-CD1 4.06Å; F2402-Y2487 HydrophobicContact CD2-CD2 4.22Å; F2402-Y2487 HydrophobicContact CD2-CE1 4.34Å; F2402-Y2487 HydrophobicContact CD2-CE2 4.47Å; F2402-Y2487 HydrophobicContact CD2-CG 4.01Å; F2402-Y2487 AromaticContact CE2-CD1 3.98Å; F2402-Y2487 HydrophobicContact CE2-CD1 3.98Å; F2402-Y2487 AromaticContact CE2-CD2 3.84Å; F2402-Y2487 HydrophobicContact CE2-CD2 3.84Å; F2402-Y2487 AromaticContact CE2-CG 3.53Å; F2402-Y2487 HydrophobicContact CE2-CG 3.53Å; F2402-Y2487 HydrophobicContact CZ-CG 4.48Å |
| 2403 | S | 62.4 | Low | 64 | Low | 54 Ų | 54 | 65.5 Ų | 65.5 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -50.8 | -36.2 | 177.7 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | G2398 F2399 D2405 | G2398-S2403 PolarHBondContact O-N 3.31Å; F2399-S2403 WeakPolarHBondContact O-CB 3.47Å; F2399-S2403 PolarHBondContact O-OG 3.48Å; S2403-D2405 VanDerWaalsContact C-N 3.29Å; S2403-D2405 PolarHBondContact O-N 3.25Å |
| 2404 | G | 63.2 | Low | 61.6 | Low | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -68.9 | -15.7 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | F2402 L2407 | F2402-G2404 PolarHBondContact O-N 3.41Å; F2402-G2404 VanDerWaalsContact O-N 3.07Å; G2404-L2407 WeakPolarHBondContact O-CD1 3.32Å; G2404-L2407 WeakPolarHBondContact O-CG 3.45Å |
| 2405 | D | 66.6 | Low | 58.9 | Low | 24 Ų | 24 | 75.3 Ų | 75.3 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -96.3 | -10 | -177.8 | -68.6 | -36.2 | 0 | 0 | 0 | 114 | F2402 S2403 L2407 L2471 R2472 R2484 | F2402-D2405 PolarHBondContact O-N 3.26Å; S2403-D2405 VanDerWaalsContact C-N 3.29Å; S2403-D2405 PolarHBondContact O-N 3.25Å; D2405-L2407 PolarHBondContact O-N 2.87Å; D2405-L2471 HydrophobicContact CB-CD2 4.06Å; D2405-R2472 HydrophobicContact CB-CB 4.36Å; D2405-R2472 PolarHBondContact O-N 3.48Å; D2405-R2484 VanDerWaalsContact CB-NH1 3.34Å; D2405-R2484 VanDerWaalsContact CB-NH2 3.28Å; D2405-R2484 IonicContact OD2-CZ 3.1Å; D2405-R2484 IonicContact OD2-NH1 2.98Å; D2405-R2484 PolarHBondContact OD2-NH1 3.43Å; D2405-R2484 IonicContact OD2-NH2 3.7Å; D2405-R2484 PolarHBondContact OD2-NH2 3.23Å |
| 2406 | F | 63.1 | Low | 56.4 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 4% | 0.044 | 45% | 0.449 | C | S | . | . | trans | -79.1 | 61 | 171.1 | -71.9 | -87.5 | 0 | 0 | 0 | 110.1 | F2402 Y2444 F2445 C2446 V2456 I2467 L2471 | F2402-F2406 WeakPolarHBondContact O-CD2 3.23Å; F2406-Y2444 CarbonylContact O-C 3.59Å; F2406-Y2444 WeakPolarHBondContact O-CA 3.26Å; F2406-F2445 HydrophobicContact CB-CB 4.4Å; F2406-F2445 PolarHBondContact O-N 3.23Å; F2406-C2446 HydrophobicContact CB-CB 3.63Å; F2406-C2446 HydrophobicContact CD1-CB 4.25Å; F2406-C2446 HydrophobicContact CD2-CB 3.76Å; F2406-C2446 HydrophobicContact CE2-CB 4.47Å; F2406-C2446 HydrophobicContact CG-CB 3.63Å; F2406-V2456 HydrophobicContact CE1-CG2 4.01Å; F2406-V2456 HydrophobicContact CZ-CG2 3.91Å; F2406-I2467 HydrophobicContact CE1-CD1 4.23Å; F2406-I2467 HydrophobicContact CE1-CG1 4.43Å; F2406-L2471 HydrophobicContact CB-CD2 4.43Å; F2406-L2471 HydrophobicContact CD1-CD2 3.57Å; F2406-L2471 HydrophobicContact CD1-CG 4.49Å; F2406-L2471 HydrophobicContact CD2-CD2 3.67Å; F2406-L2471 HydrophobicContact CE1-CD2 3.61Å; F2406-L2471 HydrophobicContact CE1-CG 4.21Å; F2406-L2471 HydrophobicContact CE2-CD2 3.7Å; F2406-L2471 HydrophobicContact CG-CD2 3.61Å; F2406-L2471 HydrophobicContact CZ-CD1 4.3Å; F2406-L2471 HydrophobicContact CZ-CD2 3.68Å; F2406-L2471 HydrophobicContact CZ-CG 4.35Å | ||
| 2407 | L | 54.9 | Low | 53.9 | Low | 33 Ų | 33 | 85.9 Ų | 85.9 | 17% | 0.173 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.5 | -179.5 | -82.5 | 166 | 0 | 0 | 0 | 109.7 | G2404 D2405 K2442 Y2444 | G2404-L2407 WeakPolarHBondContact O-CD1 3.32Å; G2404-L2407 WeakPolarHBondContact O-CG 3.45Å; D2405-L2407 PolarHBondContact O-N 2.87Å; L2407-K2442 HydrophobicContact CD1-CD 4.36Å; L2407-K2442 HydrophobicContact CD2-CB 3.67Å; L2407-K2442 HydrophobicContact CD2-CD 4.05Å; L2407-K2442 HydrophobicContact CD2-CG 4.13Å; L2407-Y2444 HydrophobicContact CD1-CE1 3.99Å; L2407-Y2444 HydrophobicContact CD2-CD1 3.65Å; L2407-Y2444 HydrophobicContact CD2-CD2 4.36Å; L2407-Y2444 HydrophobicContact CD2-CE1 3.44Å; L2407-Y2444 VanDerWaalsContact CD2-CE1 3.44Å; L2407-Y2444 HydrophobicContact CD2-CE2 4.2Å; L2407-Y2444 HydrophobicContact CD2-CG 4.11Å; L2407-Y2444 HydrophobicContact CG-CD1 3.86Å; L2407-Y2444 HydrophobicContact CG-CE1 3.62Å |
| 2408 | I | 50.6 | Low | 51.6 | Low | 63 Ų | 63 | 87 Ų | 87 | 32% | 0.323 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.4 | 166.2 | -76.6 | 172.3 | 0 | 0 | 0 | 107.8 | V2410 F2445 | I2408-V2410 HydrophobicContact CG2-CG2 4.19Å; I2408-V2410 PolarHBondContact O-N 2.99Å; I2408-F2445 HydrophobicContact CD1-CD2 3.72Å; I2408-F2445 HydrophobicContact CD1-CE2 3.82Å; I2408-F2445 HydrophobicContact CG1-CD2 4.48Å |
| 2409 | E | 47.2 | Very low | 49.6 | Very low | 166 Ų | 166 | 95.6 Ų | 95.6 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | trans | -68.8 | 118.2 | 167.7 | -72.3 | 176.1 | 167.2 | 0 | 0 | 107.7 | ||||
| 2410 | V | 41.4 | Very low | 47.2 | Very low | 90 Ų | 90 | 98.4 Ų | 98.4 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | trans | -106.4 | 116.5 | 174.9 | -178 | 0 | 0 | 0 | 0 | 106.7 | I2408 V2443 | I2408-V2410 HydrophobicContact CG2-CG2 4.19Å; I2408-V2410 PolarHBondContact O-N 2.99Å; V2410-V2443 HydrophobicContact CG2-CG2 4.49Å | ||
| 2411 | D | 36.5 | Very low | 45 | Very low | 139 Ų | 139 | 100.3 Ų | 100.3 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | trans | -57.2 | 134 | 179.9 | -81.9 | -40.1 | 0 | 0 | 0 | 111.5 | R2413 | D2411-R2413 PolarHBondContact O-N 3.41Š| ||
| 2412 | P | 34.4 | Very low | 43 | Very low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 58% | 0.578 | S | S | * | * | trans | -72.4 | 99.8 | -178.9 | 29.1 | -31.9 | 0 | 0 | 0 | 109.4 | ||||
| 2413 | R | 31.5 | Very low | 40.8 | Very low | 209 Ų | 209 | 114.6 Ų | 114.6 | 79% | 0.789 | 62% | 0.62 | S | S | * | * | trans | -91.8 | 132.5 | 168.9 | -74.5 | -176 | 177.4 | -176.7 | -5.3 | 110.2 | D2411 | D2411-R2413 PolarHBondContact O-N 3.41Š| ||
| 2414 | P | 33.5 | Very low | 39.3 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | -65.4 | 138.4 | -174.3 | -14.3 | 28 | 0 | 0 | 0 | 112 | D2416 | P2414-D2416 PolarHBondContact O-N 3.25Å; P2414-D2416 VanDerWaalsContact O-N 3.14Å | ||
| 2415 | L | 27.9 | Very low | 37.8 | Very low | 173 Ų | 173 | 124 Ų | 124 | 91% | 0.906 | 66% | 0.657 | S | S | * | * | trans | -78.6 | 86.1 | -179.7 | -158.6 | 86.7 | 0 | 0 | 0 | 110 | ||||
| 2416 | D | 29.5 | Very low | 36 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | trans | -82.1 | 122.8 | 163.9 | -88.9 | -18.9 | 0 | 0 | 0 | 109.8 | P2414 A2418 | P2414-D2416 PolarHBondContact O-N 3.25Å; P2414-D2416 VanDerWaalsContact O-N 3.14Å; D2416-A2418 PolarHBondContact O-N 2.92Å | ||
| 2417 | S | 29.2 | Very low | 34.5 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -74.5 | 95.9 | -169.6 | 42.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2418 | A | 33.1 | Very low | 33.1 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -162.7 | 128.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111 | D2416 | D2416-A2418 PolarHBondContact O-N 2.92Š| ||
| 2419 | H | 31.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 85.3 | 60.6 | 172.8 | -50.2 | -66.1 | 0 | 0 | 0 | 116.8 | ||||
| 2420 | T | 28.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | -56.8 | 150.1 | 133.6 | 42.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2421 | D | 30.8 | Very low | 30.4 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 89.3 | 89.1 | 171.7 | -52.1 | -22.4 | 0 | 0 | 0 | 117 | ||||
| 2422 | H | 32.9 | Very low | 30 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | S | Bend | 178.3 | -2.2 | 114.4 | -104.4 | -70.6 | 0 | 0 | 0 | 119.3 | |||
| 2423 | F | 29.3 | Very low | 29.7 | Very low | 208 Ų | 208 | 149 Ų | 149 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -115.5 | -0.7 | -177.1 | -136.3 | -98.4 | 0 | 0 | 0 | 117.2 | ||
| 2424 | F | 30.5 | Very low | 29.5 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -96.2 | 7.4 | 174.6 | -99.5 | -85.6 | 0 | 0 | 0 | 115.1 | ||
| 2425 | S | 31.3 | Very low | 29.2 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -83.8 | -7.2 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 2426 | L | 29.5 | Very low | 29.2 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -110 | 4.8 | -174.6 | -149.9 | 71.1 | 0 | 0 | 0 | 116 | ||
| 2427 | F | 29.8 | Very low | 29.3 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 74% | 0.737 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -131.8 | 7.7 | 167.7 | -123.8 | -89.5 | 0 | 0 | 0 | 116.1 | ||
| 2428 | H | 26.9 | Very low | 29.4 | Very low | 134 Ų | 134 | 147 Ų | 147 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -115.4 | 16.7 | 167.9 | -113 | -64.4 | 0 | 0 | 0 | 115.5 | F2430 S2431 | H2428-F2430 PolarHBondContact O-N 3.2Å; H2428-S2431 PolarHBondContact ND1-O 2.84Å | ||
| 2429 | Y | 28.9 | Very low | 29.3 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -77 | 7.1 | 161.8 | -145.6 | -93.3 | 0 | 0 | 0 | 113.3 | ||
| 2430 | F | 26.2 | Very low | 29.7 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -114.7 | 118.5 | 157.2 | -84.8 | -81 | 0 | 0 | 0 | 109.1 | H2428 | H2428-F2430 PolarHBondContact O-N 3.2Š|
| 2431 | S | 27.4 | Very low | 30.1 | Very low | 94 Ų | 94 | 147 Ų | 147 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | 84.1 | 97.3 | 176.1 | -149 | 0 | 0 | 0 | 0 | 116.5 | H2428 | H2428-S2431 PolarHBondContact ND1-O 2.84Š| ||
| 2432 | A | 27.3 | Very low | 30.5 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 129.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2433 | A | 28.1 | Very low | 31.1 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -169 | 101.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 2434 | E | 26.8 | Very low | 32.2 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -56 | 160.6 | 140.9 | -58.4 | 174.2 | 159.6 | 0 | 0 | 107.6 | ||||
| 2435 | P | 27.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | cis | -147.7 | 175.3 | 21.1 | 44.4 | -24.4 | 0 | 0 | 0 | 114.9 | ||||
| 2436 | T | 28.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | 9 | 113.3 | 140.5 | 64 | 0 | 0 | 0 | 0 | 118 | ||||
| 2437 | T | 30.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 82% | 0.816 | 66% | 0.66 | S | S | * | * | -173.9 | 138.6 | 128.6 | 17.5 | 0 | 0 | 0 | 0 | 109 | L2439 | T2437-L2439 PolarHBondContact O-N 3.29Å; T2437-L2439 VanDerWaalsContact O-N 3.16Å | |||
| 2438 | E | 30.4 | Very low | 38.9 | Very low | 196 Ų | 196 | 119.8 Ų | 119.8 | 92% | 0.916 | 65% | 0.645 | S | S | * | * | trans | -38.6 | 111.2 | 173.6 | -60.5 | 160.5 | 162.4 | 0 | 0 | 111.8 | ||||
| 2439 | L | 32.7 | Very low | 41.2 | Very low | 158 Ų | 158 | 115.7 Ų | 115.7 | 83% | 0.827 | 63% | 0.628 | S | S | * | * | trans | -141.3 | 103.5 | 175.8 | -156.3 | 75.1 | 0 | 0 | 0 | 111.7 | T2437 | T2437-L2439 PolarHBondContact O-N 3.29Å; T2437-L2439 VanDerWaalsContact O-N 3.16Å | ||
| 2440 | S | 38.6 | Very low | 43.3 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | trans | 20.5 | 132.6 | 151.6 | 66.2 | 0 | 0 | 0 | 0 | 120.4 | K2442 | S2440-K2442 PolarHBondContact O-N 3.34Š| ||
| 2441 | D | 38.2 | Very low | 45.3 | Very low | 136 Ų | 136 | 106.9 Ų | 106.9 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -52.7 | 42.8 | 177.7 | -57.2 | -48.2 | 0 | 0 | 0 | 118.3 | ||
| 2442 | K | 37.9 | Very low | 47.6 | Very low | 103 Ų | 103 | 102.4 Ų | 102.4 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | trans | -142.5 | 103.4 | -176 | -80.4 | -172.1 | -178.7 | -175.9 | 0 | 111.1 | L2407 S2440 | L2407-K2442 HydrophobicContact CD1-CD 4.36Å; L2407-K2442 HydrophobicContact CD2-CB 3.67Å; L2407-K2442 HydrophobicContact CD2-CD 4.05Å; L2407-K2442 HydrophobicContact CD2-CG 4.13Å; S2440-K2442 PolarHBondContact O-N 3.34Å | ||
| 2443 | V | 45.7 | Very low | 50 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.1 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | V2410 | V2410-V2443 HydrophobicContact CG2-CG2 4.49Å |
| 2444 | Y | 51.8 | Low | 52.1 | Low | 112 Ų | 112 | 100 Ų | 100 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.9 | 172.5 | -65.4 | -86.8 | 0 | 0 | 0 | 109.1 | F2406 L2407 D2447 | F2406-Y2444 CarbonylContact O-C 3.59Å; F2406-Y2444 WeakPolarHBondContact O-CA 3.26Å; L2407-Y2444 HydrophobicContact CD1-CE1 3.99Å; L2407-Y2444 HydrophobicContact CD2-CD1 3.65Å; L2407-Y2444 HydrophobicContact CD2-CD2 4.36Å; L2407-Y2444 HydrophobicContact CD2-CE1 3.44Å; L2407-Y2444 VanDerWaalsContact CD2-CE1 3.44Å; L2407-Y2444 HydrophobicContact CD2-CE2 4.2Å; L2407-Y2444 HydrophobicContact CD2-CG 4.11Å; L2407-Y2444 HydrophobicContact CG-CD1 3.86Å; L2407-Y2444 HydrophobicContact CG-CE1 3.62Å; Y2444-D2447 WeakPolarHBondContact CB-OD1 3.41Å |
| 2445 | F | 60.9 | Low | 54.2 | Low | 85 Ų | 85 | 91.6 Ų | 91.6 | 37% | 0.373 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -89.4 | -10 | -179.5 | -133.1 | -87.5 | 0 | 0 | 0 | 112.8 | F2406 I2408 T2451 A2455 | F2406-F2445 HydrophobicContact CB-CB 4.4Å; F2406-F2445 PolarHBondContact O-N 3.23Å; I2408-F2445 HydrophobicContact CD1-CD2 3.72Å; I2408-F2445 HydrophobicContact CD1-CE2 3.82Å; I2408-F2445 HydrophobicContact CG1-CD2 4.48Å; F2445-T2451 WeakPolarHBondContact O-CB 3.12Å; F2445-T2451 PolarHBondContact O-OG1 3.35Å; F2445-A2455 HydrophobicContact CD1-CB 3.84Å; F2445-A2455 HydrophobicContact CE1-CB 4.49Å |
| 2446 | C | 64.9 | Low | 56.5 | Low | 2 Ų | 2 | 86.7 Ų | 86.7 | 1% | 0.014 | 45% | 0.451 | C | S | . | . | trans | -129.3 | 46.4 | -164.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | F2399 F2406 T2448 C2452 | F2399-C2446 WeakPolarHBondContact CD2-O 3.19Å; F2399-C2446 VanDerWaalsContact CD2-SG 3.59Å; F2399-C2446 WeakPolarHBondContact CE2-O 3.32Å; F2406-C2446 HydrophobicContact CB-CB 3.63Å; F2406-C2446 HydrophobicContact CD1-CB 4.25Å; F2406-C2446 HydrophobicContact CD2-CB 3.76Å; F2406-C2446 HydrophobicContact CE2-CB 4.47Å; F2406-C2446 HydrophobicContact CG-CB 3.63Å; C2446-T2448 VanDerWaalsContact C-N 3.29Å; C2446-T2448 PolarHBondContact O-N 2.7Å; C2446-C2452 HydrophobicContact CB-CB 3.81Å; C2446-C2452 WeakPolarHBondContact CB-SG 3.39Å; C2446-C2452 WeakPolarHBondContact SG-CB 3.39Å; C2446-C2452 CovalentContact SG-SG 2.02Å; C2446-C2452 PolarHBondContact SG-SG 3.08Å | ||
| 2447 | D | 64.3 | Low | 58.8 | Low | 110 Ų | 110 | 84.3 Ų | 84.3 | 59% | 0.588 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -71.6 | -29.6 | -179.3 | -39 | -12.6 | 0 | 0 | 0 | 111.7 | F2399 Y2444 T2451 | F2399-D2447 WeakPolarHBondContact CE2-O 3.33Å; Y2444-D2447 WeakPolarHBondContact CB-OD1 3.41Å; D2447-T2451 PolarHBondContact N-OG1 3.38Å |
| 2448 | T | 72.8 | Confident | 60.6 | Low | 69 Ų | 69 | 86.4 Ų | 86.4 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -121.5 | 150.5 | 173.9 | 67.8 | 0 | 0 | 0 | 0 | 109 | F2399 C2446 R2450 T2451 C2452 | F2399-T2448 VanDerWaalsContact CE2-C 3.44Å; C2446-T2448 VanDerWaalsContact C-N 3.29Å; C2446-T2448 PolarHBondContact O-N 2.7Å; T2448-R2450 PolarHBondContact O-N 3.42Å; T2448-T2451 PolarHBondContact N-OG1 2.76Å; T2448-T2451 VanDerWaalsContact N-OG1 3.09Å; T2448-T2451 PolarHBondContact O-N 3.23Å; T2448-T2451 VanDerWaalsContact O-N 3.1Å; T2448-T2451 PolarHBondContact O-OG1 2.85Å; T2448-T2451 WeakPolarHBondContact OG1-CG2 3.4Å; T2448-T2451 PolarHBondContact OG1-N 2.68Å; T2448-T2451 VanDerWaalsContact OG1-N 3.08Å; T2448-T2451 PolarHBondContact OG1-OG1 2.86Å; T2448-C2452 PolarHBondContact O-N 3.15Å |
| 2449 | L | 74.3 | Confident | 62.5 | Low | 49 Ų | 49 | 81.5 Ų | 81.5 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.5 | -34 | 172.8 | 179 | 63.8 | 0 | 0 | 0 | 111.4 | Y2392 I2396 F2399 C2452 I2453 | Y2392-L2449 HydrophobicContact CE2-CD2 4.3Å; I2396-L2449 HydrophobicContact CB-CD1 4.24Å; I2396-L2449 HydrophobicContact CG1-CD1 3.59Å; I2396-L2449 HydrophobicContact CG1-CD2 3.91Å; I2396-L2449 HydrophobicContact CG1-CG 4.38Å; F2399-L2449 HydrophobicContact CB-CD1 3.9Å; F2399-L2449 HydrophobicContact CD1-CB 4.2Å; F2399-L2449 HydrophobicContact CD1-CD1 4.29Å; F2399-L2449 HydrophobicContact CE1-CB 4.38Å; F2399-L2449 HydrophobicContact CG-CB 4.32Å; F2399-L2449 HydrophobicContact CG-CD1 4.16Å; L2449-C2452 WeakPolarHBondContact O-CB 3.34Å; L2449-C2452 PolarHBondContact O-N 3.02Å; L2449-I2453 HydrophobicContact CD1-CD1 4.39Å; L2449-I2453 HydrophobicContact CD1-CG1 4.42Å; L2449-I2453 HydrophobicContact CD2-CD1 4.48Å; L2449-I2453 HydrophobicContact CG-CD1 3.91Å; L2449-I2453 HydrophobicContact CG-CG1 4.42Å; L2449-I2453 WeakPolarHBondContact O-CD1 3.22Å; L2449-I2453 VanDerWaalsContact O-CG1 3.23Å; L2449-I2453 WeakPolarHBondContact O-CG1 3.45Å; L2449-I2453 PolarHBondContact O-N 3.48Å |
| 2450 | R | 73.8 | Confident | 64.3 | Low | 166 Ų | 166 | 74 Ų | 74 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.3 | -45.4 | 179.6 | -160 | -178.3 | -172.2 | 177.7 | 2.6 | 112.7 | T2448 C2452 I2453 L2454 | T2448-R2450 PolarHBondContact O-N 3.42Å; R2450-C2452 PolarHBondContact O-N 3.18Å; R2450-I2453 PolarHBondContact O-N 2.92Å; R2450-L2454 WeakPolarHBondContact O-CG 3.26Å; R2450-L2454 PolarHBondContact O-N 2.68Å; R2450-L2454 VanDerWaalsContact O-N 3.1Å |
| 2451 | T | 69 | Low | 65.8 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 173.9 | 51.6 | 0 | 0 | 0 | 0 | 110.6 | F2445 D2447 T2448 L2454 A2455 | F2445-T2451 WeakPolarHBondContact O-CB 3.12Å; F2445-T2451 PolarHBondContact O-OG1 3.35Å; D2447-T2451 PolarHBondContact N-OG1 3.38Å; T2448-T2451 PolarHBondContact N-OG1 2.76Å; T2448-T2451 VanDerWaalsContact N-OG1 3.09Å; T2448-T2451 PolarHBondContact O-N 3.23Å; T2448-T2451 VanDerWaalsContact O-N 3.1Å; T2448-T2451 PolarHBondContact O-OG1 2.85Å; T2448-T2451 WeakPolarHBondContact OG1-CG2 3.4Å; T2448-T2451 PolarHBondContact OG1-N 2.68Å; T2448-T2451 VanDerWaalsContact OG1-N 3.08Å; T2448-T2451 PolarHBondContact OG1-OG1 2.86Å; T2451-L2454 PolarHBondContact O-N 3.43Å; T2451-A2455 WeakPolarHBondContact O-CB 3.26Å; T2451-A2455 PolarHBondContact O-N 2.77Å |
| 2452 | C | 74.4 | Confident | 67 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.7 | -140.8 | 0 | 0 | 0 | 0 | 113.6 | F2399 C2446 T2448 L2449 R2450 L2454 A2455 V2456 | F2399-C2452 HydrophobicContact CB-CB 4.22Å; F2399-C2452 HydrophobicContact CD2-CB 4.32Å; C2446-C2452 HydrophobicContact CB-CB 3.81Å; C2446-C2452 WeakPolarHBondContact CB-SG 3.39Å; C2446-C2452 WeakPolarHBondContact SG-CB 3.39Å; C2446-C2452 CovalentContact SG-SG 2.02Å; C2446-C2452 PolarHBondContact SG-SG 3.08Å; T2448-C2452 PolarHBondContact O-N 3.15Å; L2449-C2452 WeakPolarHBondContact O-CB 3.34Å; L2449-C2452 PolarHBondContact O-N 3.02Å; R2450-C2452 PolarHBondContact O-N 3.18Å; C2452-L2454 VanDerWaalsContact C-N 3.31Å; C2452-L2454 PolarHBondContact O-N 3.05Å; C2452-A2455 PolarHBondContact O-N 2.95Å; C2452-V2456 WeakPolarHBondContact O-CB 3.32Å; C2452-V2456 VanDerWaalsContact O-CG2 3.27Å; C2452-V2456 WeakPolarHBondContact O-CG2 3.24Å; C2452-V2456 PolarHBondContact O-N 3.13Å |
| 2453 | I | 78.2 | Confident | 68.1 | Low | 41 Ų | 41 | 67.1 Ų | 67.1 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.4 | -68 | 156.2 | 0 | 0 | 0 | 110.6 | Y2392 S2395 L2449 R2450 A2455 V2456 L2457 | Y2392-I2453 HydrophobicContact CD2-CD1 3.43Å; Y2392-I2453 VanDerWaalsContact CD2-CD1 3.43Å; Y2392-I2453 HydrophobicContact CD2-CG1 4.05Å; Y2392-I2453 HydrophobicContact CE2-CD1 3.64Å; S2395-I2453 VanDerWaalsContact CB-CG1 3.47Å; S2395-I2453 WeakPolarHBondContact OG-CA 3.33Å; L2449-I2453 HydrophobicContact CD1-CD1 4.39Å; L2449-I2453 HydrophobicContact CD1-CG1 4.42Å; L2449-I2453 HydrophobicContact CD2-CD1 4.48Å; L2449-I2453 HydrophobicContact CG-CD1 3.91Å; L2449-I2453 HydrophobicContact CG-CG1 4.42Å; L2449-I2453 WeakPolarHBondContact O-CD1 3.22Å; L2449-I2453 VanDerWaalsContact O-CG1 3.23Å; L2449-I2453 WeakPolarHBondContact O-CG1 3.45Å; L2449-I2453 PolarHBondContact O-N 3.48Å; R2450-I2453 PolarHBondContact O-N 2.92Å; I2453-A2455 VanDerWaalsContact C-N 3.32Å; I2453-A2455 PolarHBondContact O-N 3.36Å; I2453-V2456 PolarHBondContact O-N 3.49Å; I2453-L2457 WeakPolarHBondContact O-CB 3.18Å; I2453-L2457 PolarHBondContact O-N 3Å |
| 2454 | L | 73 | Confident | 68.8 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 178 | -69.9 | 170.4 | 0 | 0 | 0 | 111.9 | R2450 T2451 C2452 R2458 | R2450-L2454 WeakPolarHBondContact O-CG 3.26Å; R2450-L2454 PolarHBondContact O-N 2.68Å; R2450-L2454 VanDerWaalsContact O-N 3.1Å; T2451-L2454 PolarHBondContact O-N 3.43Å; C2452-L2454 VanDerWaalsContact C-N 3.31Å; C2452-L2454 PolarHBondContact O-N 3.05Å; L2454-R2458 WeakPolarHBondContact O-CB 3.49Å; L2454-R2458 PolarHBondContact O-N 3.31Å |
| 2455 | A | 70.4 | Confident | 69.5 | Low | 5 Ų | 5 | 62.1 Ų | 62.1 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F2445 T2451 C2452 I2453 R2458 W2459 | F2445-A2455 HydrophobicContact CD1-CB 3.84Å; F2445-A2455 HydrophobicContact CE1-CB 4.49Å; T2451-A2455 WeakPolarHBondContact O-CB 3.26Å; T2451-A2455 PolarHBondContact O-N 2.77Å; C2452-A2455 PolarHBondContact O-N 2.95Å; I2453-A2455 VanDerWaalsContact C-N 3.32Å; I2453-A2455 PolarHBondContact O-N 3.36Å; A2455-R2458 PolarHBondContact O-N 3.19Å; A2455-W2459 WeakPolarHBondContact O-CB 3.13Å; A2455-W2459 PolarHBondContact O-N 3.24Å |
| 2456 | V | 76.5 | Confident | 70.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -66.8 | -40 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | V2391 S2395 F2406 C2452 I2453 G2460 I2467 F2491 | V2391-V2456 HydrophobicContact CG1-CB 4.42Å; V2391-V2456 HydrophobicContact CG1-CG1 4Å; S2395-V2456 WeakPolarHBondContact OG-CB 3.49Å; F2406-V2456 HydrophobicContact CE1-CG2 4.01Å; F2406-V2456 HydrophobicContact CZ-CG2 3.91Å; C2452-V2456 WeakPolarHBondContact O-CB 3.32Å; C2452-V2456 VanDerWaalsContact O-CG2 3.27Å; C2452-V2456 WeakPolarHBondContact O-CG2 3.24Å; C2452-V2456 PolarHBondContact O-N 3.13Å; I2453-V2456 PolarHBondContact O-N 3.49Å; V2456-G2460 WeakPolarHBondContact O-CA 3.36Å; V2456-G2460 PolarHBondContact O-N 3.06Å; V2456-I2467 HydrophobicContact CB-CD1 4.1Å; V2456-I2467 HydrophobicContact CG1-CD1 4.15Å; V2456-I2467 HydrophobicContact CG2-CD1 3.85Å; V2456-I2467 HydrophobicContact CG2-CG1 4.32Å; V2456-F2491 HydrophobicContact CG1-CD2 4.42Å; V2456-F2491 HydrophobicContact CG1-CE2 3.47Å; V2456-F2491 VanDerWaalsContact CG1-CE2 3.47Å; V2456-F2491 HydrophobicContact CG1-CZ 4.08Å |
| 2457 | L | 76.2 | Confident | 70.6 | Confident | 73 Ų | 73 | 58 Ų | 58 | 38% | 0.382 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -64.8 | -49.2 | 175.2 | -168.3 | 96.1 | 0 | 0 | 0 | 111.1 | V2391 I2453 L2461 | V2391-L2457 HydrophobicContact CB-CD1 4.47Å; V2391-L2457 HydrophobicContact CG1-CB 4.14Å; V2391-L2457 HydrophobicContact CG1-CD1 3.97Å; V2391-L2457 HydrophobicContact CG2-CD1 4.39Å; I2453-L2457 WeakPolarHBondContact O-CB 3.18Å; I2453-L2457 PolarHBondContact O-N 3Å; L2457-L2461 HydrophobicContact CD1-CD1 4.05Å; L2457-L2461 HydrophobicContact CG-CD1 4.28Å; L2457-L2461 WeakPolarHBondContact O-CB 3.27Å |
| 2458 | R | 69.2 | Low | 70.9 | Confident | 176 Ų | 176 | 53.7 Ų | 53.7 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | I | π-helix | trans | -69.3 | -50.2 | -174.3 | -176.7 | 175.9 | -178.1 | 169.9 | 0.1 | 111.9 | L2454 A2455 S2462 | L2454-R2458 WeakPolarHBondContact O-CB 3.49Å; L2454-R2458 PolarHBondContact O-N 3.31Å; A2455-R2458 PolarHBondContact O-N 3.19Å; R2458-S2462 WeakPolarHBondContact O-CB 3.38Å; R2458-S2462 PolarHBondContact O-OG 3.05Å |
| 2459 | W | 70.6 | Confident | 70.9 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -97.7 | -31.4 | -171.8 | -60.5 | 109.1 | 0 | 0 | 0 | 112.8 | A2455 S2462 S2463 V2470 | A2455-W2459 WeakPolarHBondContact O-CB 3.13Å; A2455-W2459 PolarHBondContact O-N 3.24Å; W2459-S2462 WeakPolarHBondContact CA-OG 3.47Å; W2459-S2462 PolarHBondContact O-OG 3.32Å; W2459-S2463 VanDerWaalsContact O-CB 3.23Å; W2459-S2463 WeakPolarHBondContact O-CB 3.27Å; W2459-S2463 PolarHBondContact O-N 2.78Å; W2459-S2463 VanDerWaalsContact O-N 3.09Å; W2459-S2463 PolarHBondContact O-OG 3.12Å; W2459-V2470 HydrophobicContact CB-CB 4.26Å; W2459-V2470 HydrophobicContact CB-CG1 3.77Å; W2459-V2470 HydrophobicContact CB-CG2 3.54Å; W2459-V2470 HydrophobicContact CG-CG1 4.17Å |
| 2460 | G | 68.6 | Low | 70.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -72.5 | -38.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2456 G2466 F2491 | V2456-G2460 WeakPolarHBondContact O-CA 3.36Å; V2456-G2460 PolarHBondContact O-N 3.06Å; G2460-G2466 CarbonylContact O-C 3.3Å; G2460-G2466 WeakPolarHBondContact O-CA 3.36Å; G2460-F2491 VanDerWaalsContact O-CE1 3.3Å; G2460-F2491 WeakPolarHBondContact O-CE1 3.45Å |
| 2461 | L | 70.5 | Confident | 70.4 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -24.6 | 175.6 | -65.1 | 172.4 | 0 | 0 | 0 | 113.1 | V2391 L2457 I2496 | V2391-L2461 HydrophobicContact CG2-CD1 4.18Å; V2391-L2461 HydrophobicContact CG2-CD2 4.38Å; V2391-L2461 HydrophobicContact CG2-CG 4.37Å; L2457-L2461 HydrophobicContact CD1-CD1 4.05Å; L2457-L2461 HydrophobicContact CG-CD1 4.28Å; L2457-L2461 WeakPolarHBondContact O-CB 3.27Å; L2461-I2496 HydrophobicContact CD2-CD1 4.16Å |
| 2462 | S | 63.3 | Low | 70.3 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 57% | 0.573 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -30 | -177.3 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | R2458 W2459 | R2458-S2462 WeakPolarHBondContact O-CB 3.38Å; R2458-S2462 PolarHBondContact O-OG 3.05Å; W2459-S2462 WeakPolarHBondContact CA-OG 3.47Å; W2459-S2462 PolarHBondContact O-OG 3.32Å |
| 2463 | S | 62.2 | Low | 69.8 | Low | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -81.2 | 127.1 | -178.1 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | W2459 G2465 G2466 V2470 | W2459-S2463 VanDerWaalsContact O-CB 3.23Å; W2459-S2463 WeakPolarHBondContact O-CB 3.27Å; W2459-S2463 PolarHBondContact O-N 2.78Å; W2459-S2463 VanDerWaalsContact O-N 3.09Å; W2459-S2463 PolarHBondContact O-OG 3.12Å; S2463-G2465 PolarHBondContact O-N 3.47Å; S2463-G2465 VanDerWaalsContact O-N 3.13Å; S2463-G2466 PolarHBondContact O-N 2.98Å; S2463-V2470 WeakPolarHBondContact OG-CG2 3.31Å |
| 2464 | G | 59.3 | Low | 69.2 | Low | 68 Ų | 68 | 59 Ų | 59 | 70% | 0.701 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2465 | G | 67.1 | Low | 68.8 | Low | 28 Ų | 28 | 58.9 Ų | 58.9 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2463 D2469 Y2492 | S2463-G2465 PolarHBondContact O-N 3.47Å; S2463-G2465 VanDerWaalsContact O-N 3.13Å; G2465-D2469 WeakPolarHBondContact CA-OD2 3.24Å; G2465-D2469 PolarHBondContact N-OD2 2.75Å; G2465-Y2492 WeakPolarHBondContact O-CD2 3.39Å |
| 2466 | G | 74.8 | Confident | 68.7 | Low | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | 82.1 | -161.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | G2460 S2463 G2468 D2469 | G2460-G2466 CarbonylContact O-C 3.3Å; G2460-G2466 WeakPolarHBondContact O-CA 3.36Å; S2463-G2466 PolarHBondContact O-N 2.98Å; G2466-G2468 PolarHBondContact O-N 2.69Å; G2466-G2468 VanDerWaalsContact O-N 3.14Å; G2466-D2469 PolarHBondContact O-N 3.34Å | ||
| 2467 | I | 74.5 | Confident | 68.3 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -61.4 | -23.6 | -178.2 | -159.7 | 66.3 | 0 | 0 | 0 | 113.8 | F2406 V2456 D2469 V2470 L2471 Y2487 F2491 | F2406-I2467 HydrophobicContact CE1-CD1 4.23Å; F2406-I2467 HydrophobicContact CE1-CG1 4.43Å; V2456-I2467 HydrophobicContact CB-CD1 4.1Å; V2456-I2467 HydrophobicContact CG1-CD1 4.15Å; V2456-I2467 HydrophobicContact CG2-CD1 3.85Å; V2456-I2467 HydrophobicContact CG2-CG1 4.32Å; I2467-D2469 PolarHBondContact O-N 2.73Å; I2467-V2470 PolarHBondContact O-N 3.46Å; I2467-V2470 VanDerWaalsContact O-N 3.16Å; I2467-L2471 HydrophobicContact CB-CD1 4.37Å; I2467-L2471 HydrophobicContact CG1-CD1 3.66Å; I2467-L2471 HydrophobicContact CG1-CG 4.11Å; I2467-L2471 HydrophobicContact CG2-CD1 4.07Å; I2467-L2471 WeakPolarHBondContact O-CG 3.33Å; I2467-L2471 PolarHBondContact O-N 3.22Å; I2467-L2471 VanDerWaalsContact O-N 3.15Å; I2467-Y2487 HydrophobicContact CG2-CD1 4.27Å; I2467-Y2487 HydrophobicContact CG2-CE1 3.58Å; I2467-F2491 HydrophobicContact CB-CD1 4.03Å; I2467-F2491 HydrophobicContact CB-CD2 4.06Å; I2467-F2491 HydrophobicContact CB-CE1 4.13Å; I2467-F2491 HydrophobicContact CB-CE2 4.16Å; I2467-F2491 HydrophobicContact CB-CG 4.02Å; I2467-F2491 HydrophobicContact CB-CZ 4.19Å; I2467-F2491 HydrophobicContact CG2-CB 3.78Å; I2467-F2491 HydrophobicContact CG2-CD1 3.92Å; I2467-F2491 HydrophobicContact CG2-CD2 3.77Å; I2467-F2491 HydrophobicContact CG2-CE2 4.37Å; I2467-F2491 HydrophobicContact CG2-CG 3.53Å |
| 2468 | G | 70.4 | Confident | 67.9 | Low | 20 Ų | 20 | 71.1 Ų | 71.1 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -64.5 | -22.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G2466 D2488 | G2466-G2468 PolarHBondContact O-N 2.69Å; G2466-G2468 VanDerWaalsContact O-N 3.14Å; G2468-D2488 WeakPolarHBondContact CA-OD1 2.99Å |
| 2469 | D | 72.5 | Confident | 68 | Low | 109 Ų | 109 | 69.2 Ų | 69.2 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -74.9 | -27.7 | 175.6 | -78.1 | -14.9 | 0 | 0 | 0 | 112.7 | G2465 G2466 I2467 | G2465-D2469 WeakPolarHBondContact CA-OD2 3.24Å; G2465-D2469 PolarHBondContact N-OD2 2.75Å; G2466-D2469 PolarHBondContact O-N 3.34Å; I2467-D2469 PolarHBondContact O-N 2.73Å |
| 2470 | V | 68.1 | Low | 68 | Low | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -38 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | W2459 S2463 I2467 | W2459-V2470 HydrophobicContact CB-CB 4.26Å; W2459-V2470 HydrophobicContact CB-CG1 3.77Å; W2459-V2470 HydrophobicContact CB-CG2 3.54Å; W2459-V2470 HydrophobicContact CG-CG1 4.17Å; S2463-V2470 WeakPolarHBondContact OG-CG2 3.31Å; I2467-V2470 PolarHBondContact O-N 3.46Å; I2467-V2470 VanDerWaalsContact O-N 3.16Å |
| 2471 | L | 70.1 | Confident | 68.5 | Low | 8 Ų | 8 | 70.4 Ų | 70.4 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -73.8 | 153.3 | -177.8 | -78.1 | 168.5 | 0 | 0 | 0 | 111.6 | D2405 F2406 I2467 K2473 R2484 Y2487 | D2405-L2471 HydrophobicContact CB-CD2 4.06Å; F2406-L2471 HydrophobicContact CB-CD2 4.43Å; F2406-L2471 HydrophobicContact CD1-CD2 3.57Å; F2406-L2471 HydrophobicContact CD1-CG 4.49Å; F2406-L2471 HydrophobicContact CD2-CD2 3.67Å; F2406-L2471 HydrophobicContact CE1-CD2 3.61Å; F2406-L2471 HydrophobicContact CE1-CG 4.21Å; F2406-L2471 HydrophobicContact CE2-CD2 3.7Å; F2406-L2471 HydrophobicContact CG-CD2 3.61Å; F2406-L2471 HydrophobicContact CZ-CD1 4.3Å; F2406-L2471 HydrophobicContact CZ-CD2 3.68Å; F2406-L2471 HydrophobicContact CZ-CG 4.35Å; I2467-L2471 HydrophobicContact CB-CD1 4.37Å; I2467-L2471 HydrophobicContact CG1-CD1 3.66Å; I2467-L2471 HydrophobicContact CG1-CG 4.11Å; I2467-L2471 HydrophobicContact CG2-CD1 4.07Å; I2467-L2471 WeakPolarHBondContact O-CG 3.33Å; I2467-L2471 PolarHBondContact O-N 3.22Å; I2467-L2471 VanDerWaalsContact O-N 3.15Å; L2471-K2473 PolarHBondContact O-N 3.31Å; L2471-R2484 VanDerWaalsContact CB-NH2 3.3Å; L2471-Y2487 HydrophobicContact CD1-CD1 4.47Å; L2471-Y2487 HydrophobicContact CD1-CE1 3.89Å |
| 2472 | R | 65.7 | Low | 68.8 | Low | 117 Ų | 117 | 74.3 Ų | 74.3 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | trans | -52.7 | 133.1 | 172.7 | 177.3 | -178.4 | 167.2 | -157.5 | -15.4 | 110.5 | D2405 P2474 E2478 R2484 | D2405-R2472 HydrophobicContact CB-CB 4.36Å; D2405-R2472 PolarHBondContact O-N 3.48Å; R2472-P2474 VanDerWaalsContact O-CD 3.26Å; R2472-P2474 WeakPolarHBondContact O-CD 3.26Å; R2472-E2478 IonicContact CZ-OE1 3.56Å; R2472-E2478 IonicContact NH1-OE1 3.88Å; R2472-E2478 IonicContact NH2-OE1 2.81Å; R2472-E2478 PolarHBondContact NH2-OE1 2.89Å; R2472-R2484 PolarHBondContact O-NH2 3.14Å | ||
| 2473 | K | 64.7 | Low | 69.6 | Low | 188 Ų | 188 | 74.7 Ų | 74.7 | 82% | 0.817 | 40% | 0.404 | S | S | * | . | trans | -63.9 | 111.6 | 172.6 | -67.4 | 179 | -178.3 | 175.5 | 0 | 109.2 | L2471 | L2471-K2473 PolarHBondContact O-N 3.31Š| ||
| 2474 | P | 64.9 | Low | 70.5 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | trans | -68.7 | 138 | -176.7 | 31.8 | -38 | 0 | 0 | 0 | 110 | R2472 E2478 F2481 R2484 | R2472-P2474 VanDerWaalsContact O-CD 3.26Å; R2472-P2474 WeakPolarHBondContact O-CD 3.26Å; P2474-E2478 WeakPolarHBondContact CA-OE2 3.21Å; P2474-F2481 HydrophobicContact CB-CD2 3.92Å; P2474-F2481 HydrophobicContact CG-CD2 3.87Å; P2474-F2481 HydrophobicContact CG-CE2 4.1Å; P2474-R2484 HydrophobicContact CB-CB 4.41Å; P2474-R2484 HydrophobicContact CB-CG 4.11Å; P2474-R2484 HydrophobicContact CG-CB 4.25Å; P2474-R2484 HydrophobicContact CG-CG 3.74Å | ||
| 2475 | H | 65.6 | Low | 71.5 | Confident | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | trans | -79.2 | 137.9 | 177.4 | -173 | -83.9 | 0 | 0 | 0 | 109.2 | K2477 E2478 | H2475-K2477 PolarHBondContact ND1-N 3.48Å; H2475-K2477 PolarHBondContact O-N 2.88Å; H2475-E2478 HydrophobicContact CB-CG 4.27Å; H2475-E2478 PolarHBondContact N-OE2 3.4Å; H2475-E2478 WeakPolarHBondContact O-CB 3.37Å; H2475-E2478 PolarHBondContact O-N 3.24Å | ||
| 2476 | P | 67.4 | Low | 72.3 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -4.7 | -173.3 | 21 | -32.9 | 0 | 0 | 0 | 116.3 | F2481 | P2476-F2481 HydrophobicContact CB-CD2 4.48Å; P2476-F2481 HydrophobicContact CB-CE1 4.35Å; P2476-F2481 HydrophobicContact CB-CE2 4.25Å; P2476-F2481 HydrophobicContact CB-CZ 4.18Å |
| 2477 | K | 69.4 | Low | 72.8 | Confident | 186 Ų | 186 | 77.5 Ų | 77.5 | 81% | 0.809 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -5.1 | 175.7 | -64.7 | -175.4 | 178.9 | 179 | 0 | 113.5 | H2475 | H2475-K2477 PolarHBondContact ND1-N 3.48Å; H2475-K2477 PolarHBondContact O-N 2.88Å |
| 2478 | E | 68.2 | Low | 73.1 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 27% | 0.271 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -73 | 138 | 178.6 | -72.2 | 170.7 | 166.8 | 0 | 0 | 110 | R2472 P2474 H2475 L2480 F2481 | R2472-E2478 IonicContact CZ-OE1 3.56Å; R2472-E2478 IonicContact NH1-OE1 3.88Å; R2472-E2478 IonicContact NH2-OE1 2.81Å; R2472-E2478 PolarHBondContact NH2-OE1 2.89Å; P2474-E2478 WeakPolarHBondContact CA-OE2 3.21Å; H2475-E2478 HydrophobicContact CB-CG 4.27Å; H2475-E2478 PolarHBondContact N-OE2 3.4Å; H2475-E2478 WeakPolarHBondContact O-CB 3.37Å; H2475-E2478 PolarHBondContact O-N 3.24Å; E2478-L2480 PolarHBondContact O-N 3.48Å; E2478-L2480 VanDerWaalsContact O-N 3.1Å; E2478-F2481 WeakPolarHBondContact O-CB 3.48Å; E2478-F2481 PolarHBondContact O-N 2.91Å |
| 2479 | P | 70.2 | Confident | 73.8 | Confident | 135 Ų | 135 | 82.2 Ų | 82.2 | 88% | 0.877 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.1 | -171.1 | 23.6 | -33.5 | 0 | 0 | 0 | 113.5 | ||
| 2480 | L | 70.7 | Confident | 74.3 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 8.2 | 178.2 | -67 | 168.1 | 0 | 0 | 0 | 113.2 | F2402 E2478 H2482 L2483 R2484 | F2402-L2480 HydrophobicContact CE1-CB 4.42Å; E2478-L2480 PolarHBondContact O-N 3.48Å; E2478-L2480 VanDerWaalsContact O-N 3.1Å; L2480-H2482 PolarHBondContact O-N 2.94Å; L2480-L2483 HydrophobicContact CD2-CB 4.41Å; L2480-L2483 HydrophobicContact CD2-CD1 3.6Å; L2480-L2483 PolarHBondContact O-N 3.12Å; L2480-L2483 VanDerWaalsContact O-N 3.08Å; L2480-R2484 PolarHBondContact O-N 3.27Å |
| 2481 | F | 78.2 | Confident | 75.1 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -51.5 | -50.5 | -177.1 | 172.7 | -101.5 | 0 | 0 | 0 | 112.6 | P2474 P2476 E2478 L2483 R2484 V2485 | P2474-F2481 HydrophobicContact CB-CD2 3.92Å; P2474-F2481 HydrophobicContact CG-CD2 3.87Å; P2474-F2481 HydrophobicContact CG-CE2 4.1Å; P2476-F2481 HydrophobicContact CB-CD2 4.48Å; P2476-F2481 HydrophobicContact CB-CE1 4.35Å; P2476-F2481 HydrophobicContact CB-CE2 4.25Å; P2476-F2481 HydrophobicContact CB-CZ 4.18Å; E2478-F2481 WeakPolarHBondContact O-CB 3.48Å; E2478-F2481 PolarHBondContact O-N 2.91Å; F2481-L2483 PolarHBondContact O-N 3.07Å; F2481-R2484 PolarHBondContact O-N 3.42Å; F2481-V2485 HydrophobicContact CD2-CG2 4.32Å; F2481-V2485 HydrophobicContact CE1-CG2 4.12Å; F2481-V2485 HydrophobicContact CE2-CG2 3.89Å; F2481-V2485 HydrophobicContact CZ-CG2 3.77Å; F2481-V2485 WeakPolarHBondContact O-CG2 3.46Å; F2481-V2485 PolarHBondContact O-N 3.36Å |
| 2482 | H | 78.2 | Confident | 75.8 | Confident | 154 Ų | 154 | 80.7 Ų | 80.7 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 179.6 | -68 | -57.7 | 0 | 0 | 0 | 112.8 | L2480 R2484 L2486 | L2480-H2482 PolarHBondContact O-N 2.94Å; H2482-R2484 VanDerWaalsContact C-N 3.33Å; H2482-L2486 WeakPolarHBondContact O-CB 3.28Å; H2482-L2486 PolarHBondContact O-N 2.84Å |
| 2483 | L | 79.3 | Confident | 76.7 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 175.9 | -86 | 165 | 0 | 0 | 0 | 111.8 | L2480 F2481 L2486 Y2487 | L2480-L2483 HydrophobicContact CD2-CB 4.41Å; L2480-L2483 HydrophobicContact CD2-CD1 3.6Å; L2480-L2483 PolarHBondContact O-N 3.12Å; L2480-L2483 VanDerWaalsContact O-N 3.08Å; F2481-L2483 PolarHBondContact O-N 3.07Å; L2483-L2486 PolarHBondContact O-N 3.43Å; L2483-Y2487 WeakPolarHBondContact O-CB 3.13Å; L2483-Y2487 PolarHBondContact O-N 2.85Å |
| 2484 | R | 81.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.7 | -47.6 | 175.8 | 179.9 | 47.5 | 163.6 | -80.6 | -44.5 | 112.3 | F2402 D2405 L2471 R2472 P2474 L2480 F2481 H2482 L2486 Y2487 D2488 | F2402-R2484 HydrophobicContact CD1-CB 4.48Å; F2402-R2484 VanDerWaalsContact CD1-NH1 3.26Å; F2402-R2484 HydrophobicContact CE1-CB 3.72Å; F2402-R2484 HydrophobicContact CE1-CG 4.3Å; F2402-R2484 HydrophobicContact CZ-CB 4Å; D2405-R2484 VanDerWaalsContact CB-NH1 3.34Å; D2405-R2484 VanDerWaalsContact CB-NH2 3.28Å; D2405-R2484 IonicContact OD2-CZ 3.1Å; D2405-R2484 IonicContact OD2-NH1 2.98Å; D2405-R2484 PolarHBondContact OD2-NH1 3.43Å; D2405-R2484 IonicContact OD2-NH2 3.7Å; D2405-R2484 PolarHBondContact OD2-NH2 3.23Å; L2471-R2484 VanDerWaalsContact CB-NH2 3.3Å; R2472-R2484 PolarHBondContact O-NH2 3.14Å; P2474-R2484 HydrophobicContact CB-CB 4.41Å; P2474-R2484 HydrophobicContact CB-CG 4.11Å; P2474-R2484 HydrophobicContact CG-CB 4.25Å; P2474-R2484 HydrophobicContact CG-CG 3.74Å; L2480-R2484 PolarHBondContact O-N 3.27Å; F2481-R2484 PolarHBondContact O-N 3.42Å; H2482-R2484 VanDerWaalsContact C-N 3.33Å; R2484-L2486 PolarHBondContact O-N 3.13Å; R2484-Y2487 WeakPolarHBondContact O-CA 3.06Å; R2484-Y2487 WeakPolarHBondContact O-CB 3.49Å; R2484-Y2487 PolarHBondContact O-N 3.26Å; R2484-D2488 IonicContact NE-OD1 3.25Å; R2484-D2488 PolarHBondContact NE-OD1 2.78Å; R2484-D2488 IonicContact NE-OD2 2.68Å; R2484-D2488 PolarHBondContact NE-OD2 3.35Å; R2484-D2488 PolarHBondContact O-N 2.77Å |
| 2485 | V | 80.1 | Confident | 78.3 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | F2481 L2489 | F2481-V2485 HydrophobicContact CD2-CG2 4.32Å; F2481-V2485 HydrophobicContact CE1-CG2 4.12Å; F2481-V2485 HydrophobicContact CE2-CG2 3.89Å; F2481-V2485 HydrophobicContact CZ-CG2 3.77Å; F2481-V2485 WeakPolarHBondContact O-CG2 3.46Å; F2481-V2485 PolarHBondContact O-N 3.36Å; V2485-L2489 HydrophobicContact CG1-CD1 3.78Å; V2485-L2489 HydrophobicContact CG1-CG 4.38Å; V2485-L2489 VanDerWaalsContact O-CB 3.26Å; V2485-L2489 WeakPolarHBondContact O-CB 3.49Å; V2485-L2489 VanDerWaalsContact O-CG 3.32Å; V2485-L2489 WeakPolarHBondContact O-CG 3.41Å; V2485-L2489 PolarHBondContact O-N 3.04Å |
| 2486 | L | 83.2 | Confident | 79 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 60% | 0.602 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 174.4 | -161.4 | 87.7 | 0 | 0 | 0 | 112 | H2482 L2483 R2484 S2490 | H2482-L2486 WeakPolarHBondContact O-CB 3.28Å; H2482-L2486 PolarHBondContact O-N 2.84Å; L2483-L2486 PolarHBondContact O-N 3.43Å; R2484-L2486 PolarHBondContact O-N 3.13Å; L2486-S2490 WeakPolarHBondContact O-CB 3.49Å; L2486-S2490 PolarHBondContact O-N 3.23Å; L2486-S2490 PolarHBondContact O-OG 3.24Å |
| 2487 | Y | 85.9 | Confident | 79.7 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176 | 173.7 | -94.1 | 0 | 0 | 0 | 112 | F2394 V2397 F2402 I2467 L2471 L2483 R2484 S2490 F2491 | F2394-Y2487 HydrophobicContact CB-CE2 4.37Å; F2394-Y2487 AromaticContact CD1-CD2 3.99Å; F2394-Y2487 HydrophobicContact CD1-CD2 3.99Å; F2394-Y2487 AromaticContact CD1-CE2 3.56Å; F2394-Y2487 HydrophobicContact CD1-CE2 3.56Å; F2394-Y2487 HydrophobicContact CE1-CD2 4.38Å; F2394-Y2487 HydrophobicContact CE1-CE2 4.38Å; F2394-Y2487 HydrophobicContact CG-CE2 4.45Å; F2394-Y2487 WeakPolarHBondContact O-CE2 3.15Å; F2394-Y2487 PolarHBondContact O-OH 2.98Å; V2397-Y2487 HydrophobicContact CB-CD2 4.29Å; V2397-Y2487 HydrophobicContact CB-CE2 3.95Å; V2397-Y2487 HydrophobicContact CG1-CD2 3.63Å; V2397-Y2487 HydrophobicContact CG1-CE2 3.79Å; F2402-Y2487 HydrophobicContact CD2-CD1 4.06Å; F2402-Y2487 HydrophobicContact CD2-CD2 4.22Å; F2402-Y2487 HydrophobicContact CD2-CE1 4.34Å; F2402-Y2487 HydrophobicContact CD2-CE2 4.47Å; F2402-Y2487 HydrophobicContact CD2-CG 4.01Å; F2402-Y2487 AromaticContact CE2-CD1 3.98Å; F2402-Y2487 HydrophobicContact CE2-CD1 3.98Å; F2402-Y2487 AromaticContact CE2-CD2 3.84Å; F2402-Y2487 HydrophobicContact CE2-CD2 3.84Å; F2402-Y2487 AromaticContact CE2-CG 3.53Å; F2402-Y2487 HydrophobicContact CE2-CG 3.53Å; F2402-Y2487 HydrophobicContact CZ-CG 4.48Å; I2467-Y2487 HydrophobicContact CG2-CD1 4.27Å; I2467-Y2487 HydrophobicContact CG2-CE1 3.58Å; L2471-Y2487 HydrophobicContact CD1-CD1 4.47Å; L2471-Y2487 HydrophobicContact CD1-CE1 3.89Å; L2483-Y2487 WeakPolarHBondContact O-CB 3.13Å; L2483-Y2487 PolarHBondContact O-N 2.85Å; R2484-Y2487 WeakPolarHBondContact O-CA 3.06Å; R2484-Y2487 WeakPolarHBondContact O-CB 3.49Å; R2484-Y2487 PolarHBondContact O-N 3.26Å; Y2487-S2490 WeakPolarHBondContact CA-OG 3.45Å; Y2487-S2490 PolarHBondContact O-N 2.81Å; Y2487-S2490 PolarHBondContact O-OG 3.48Å; Y2487-F2491 WeakPolarHBondContact O-CB 3.29Å; Y2487-F2491 PolarHBondContact O-N 3.09Å |
| 2488 | D | 81.8 | Confident | 80.4 | Confident | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 179 | -63.6 | -25.6 | 0 | 0 | 0 | 111 | G2468 R2484 F2491 Y2492 | G2468-D2488 WeakPolarHBondContact CA-OD1 2.99Å; R2484-D2488 IonicContact NE-OD1 3.25Å; R2484-D2488 PolarHBondContact NE-OD1 2.78Å; R2484-D2488 IonicContact NE-OD2 2.68Å; R2484-D2488 PolarHBondContact NE-OD2 3.35Å; R2484-D2488 PolarHBondContact O-N 2.77Å; D2488-F2491 PolarHBondContact O-N 2.68Å; D2488-Y2492 WeakPolarHBondContact O-CB 3.41Å; D2488-Y2492 PolarHBondContact O-N 2.89Å |
| 2489 | L | 83.3 | Confident | 81 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.2 | -77.8 | 171.1 | 0 | 0 | 0 | 112.3 | V2485 Y2492 F2493 | V2485-L2489 HydrophobicContact CG1-CD1 3.78Å; V2485-L2489 HydrophobicContact CG1-CG 4.38Å; V2485-L2489 VanDerWaalsContact O-CB 3.26Å; V2485-L2489 WeakPolarHBondContact O-CB 3.49Å; V2485-L2489 VanDerWaalsContact O-CG 3.32Å; V2485-L2489 WeakPolarHBondContact O-CG 3.41Å; V2485-L2489 PolarHBondContact O-N 3.04Å; L2489-Y2492 PolarHBondContact O-N 2.75Å; L2489-F2493 WeakPolarHBondContact O-CB 3.37Å; L2489-F2493 PolarHBondContact O-N 3.41Å |
| 2490 | S | 84.5 | Confident | 81.2 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | F2394 L2486 Y2487 I2494 | F2394-S2490 WeakPolarHBondContact CE1-OG 3.31Å; F2394-S2490 VanDerWaalsContact CZ-C 3.5Å; F2394-S2490 WeakPolarHBondContact CZ-O 3.36Å; L2486-S2490 WeakPolarHBondContact O-CB 3.49Å; L2486-S2490 PolarHBondContact O-N 3.23Å; L2486-S2490 PolarHBondContact O-OG 3.24Å; Y2487-S2490 WeakPolarHBondContact CA-OG 3.45Å; Y2487-S2490 PolarHBondContact O-N 2.81Å; Y2487-S2490 PolarHBondContact O-OG 3.48Å; S2490-I2494 WeakPolarHBondContact O-CB 3.36Å; S2490-I2494 VanDerWaalsContact O-CG1 3.26Å; S2490-I2494 WeakPolarHBondContact O-CG1 2.96Å; S2490-I2494 PolarHBondContact O-N 3.12Å |
| 2491 | F | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 171.6 | -175.4 | -79.3 | 0 | 0 | 0 | 110.2 | F2394 V2456 G2460 I2467 Y2487 D2488 L2495 I2496 | F2394-F2491 HydrophobicContact CB-CD2 3.81Å; F2394-F2491 HydrophobicContact CB-CE2 4.15Å; F2394-F2491 HydrophobicContact CD1-CB 3.9Å; F2394-F2491 AromaticContact CD1-CD2 3.74Å; F2394-F2491 HydrophobicContact CD1-CD2 3.74Å; F2394-F2491 HydrophobicContact CD1-CG 4.32Å; F2394-F2491 HydrophobicContact CD2-CD2 4.05Å; F2394-F2491 VanDerWaalsContact CE1-CA 3.47Å; F2394-F2491 HydrophobicContact CE1-CB 3.73Å; F2394-F2491 HydrophobicContact CE1-CD2 4.33Å; F2394-F2491 VanDerWaalsContact CE1-N 3.33Å; F2394-F2491 AromaticContact CG-CD2 3.6Å; F2394-F2491 HydrophobicContact CG-CD2 3.6Å; F2394-F2491 HydrophobicContact CG-CE2 4.31Å; F2394-F2491 VanDerWaalsContact CZ-CA 3.47Å; F2394-F2491 HydrophobicContact CZ-CB 4.2Å; V2456-F2491 HydrophobicContact CG1-CD2 4.42Å; V2456-F2491 HydrophobicContact CG1-CE2 3.47Å; V2456-F2491 VanDerWaalsContact CG1-CE2 3.47Å; V2456-F2491 HydrophobicContact CG1-CZ 4.08Å; G2460-F2491 VanDerWaalsContact O-CE1 3.3Å; G2460-F2491 WeakPolarHBondContact O-CE1 3.45Å; I2467-F2491 HydrophobicContact CB-CD1 4.03Å; I2467-F2491 HydrophobicContact CB-CD2 4.06Å; I2467-F2491 HydrophobicContact CB-CE1 4.13Å; I2467-F2491 HydrophobicContact CB-CE2 4.16Å; I2467-F2491 HydrophobicContact CB-CG 4.02Å; I2467-F2491 HydrophobicContact CB-CZ 4.19Å; I2467-F2491 HydrophobicContact CG2-CB 3.78Å; I2467-F2491 HydrophobicContact CG2-CD1 3.92Å; I2467-F2491 HydrophobicContact CG2-CD2 3.77Å; I2467-F2491 HydrophobicContact CG2-CE2 4.37Å; I2467-F2491 HydrophobicContact CG2-CG 3.53Å; Y2487-F2491 WeakPolarHBondContact O-CB 3.29Å; Y2487-F2491 PolarHBondContact O-N 3.09Å; D2488-F2491 PolarHBondContact O-N 2.68Å; F2491-L2495 HydrophobicContact CD2-CD1 3.57Å; F2491-L2495 HydrophobicContact CE1-CB 4.36Å; F2491-L2495 HydrophobicContact CE1-CD1 4.31Å; F2491-L2495 HydrophobicContact CE2-CD1 3.21Å; F2491-L2495 HydrophobicContact CG-CD1 4.25Å; F2491-L2495 HydrophobicContact CZ-CB 4.4Å; F2491-L2495 HydrophobicContact CZ-CD1 3.64Å; F2491-L2495 WeakPolarHBondContact O-CB 3.32Å; F2491-L2495 PolarHBondContact O-N 3.31Å; F2491-I2496 HydrophobicContact CD1-CG1 4.49Å; F2491-I2496 HydrophobicContact CE1-CD1 4.31Å; F2491-I2496 HydrophobicContact CE1-CG1 4.26Å |
| 2492 | Y | 84.2 | Confident | 81.8 | Confident | 92 Ų | 92 | 60.1 Ų | 60.1 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -60.2 | -50.6 | 178.6 | -178.4 | -101.9 | 0 | 0 | 0 | 111.7 | G2465 D2488 L2489 I2496 V2497 | G2465-Y2492 WeakPolarHBondContact O-CD2 3.39Å; D2488-Y2492 WeakPolarHBondContact O-CB 3.41Å; D2488-Y2492 PolarHBondContact O-N 2.89Å; L2489-Y2492 PolarHBondContact O-N 2.75Å; Y2492-I2496 HydrophobicContact CD2-CB 4.06Å; Y2492-I2496 HydrophobicContact CD2-CG1 4.27Å; Y2492-I2496 HydrophobicContact CD2-CG2 4.26Å; Y2492-I2496 HydrophobicContact CE2-CB 4.35Å; Y2492-I2496 HydrophobicContact CE2-CG2 4.06Å; Y2492-I2496 CarbonylContact O-C 3.6Å; Y2492-I2496 WeakPolarHBondContact O-CA 3.43Å; Y2492-I2496 VanDerWaalsContact O-CB 3.28Å; Y2492-I2496 WeakPolarHBondContact O-CB 3.12Å; Y2492-I2496 PolarHBondContact O-N 2.84Å; Y2492-I2496 VanDerWaalsContact O-N 3.1Å; Y2492-V2497 HydrophobicContact CD1-CG2 3.94Å; Y2492-V2497 HydrophobicContact CE1-CG2 3.59Å; Y2492-V2497 PolarHBondContact O-N 2.76Å |
| 2493 | F | 83.5 | Confident | 81.7 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -66.4 | -43.2 | -179.5 | -105.2 | -82.4 | 0 | 0 | 0 | 113.1 | L2489 V2497 I2498 | L2489-F2493 WeakPolarHBondContact O-CB 3.37Å; L2489-F2493 PolarHBondContact O-N 3.41Å; F2493-V2497 HydrophobicContact CD1-CB 4.4Å; F2493-V2497 HydrophobicContact CD1-CG1 4.43Å; F2493-V2497 WeakPolarHBondContact O-CB 3.27Å; F2493-I2498 VanDerWaalsContact O-CG1 3.27Å; F2493-I2498 WeakPolarHBondContact O-CG1 3.24Å; F2493-I2498 PolarHBondContact O-N 2.63Å |
| 2494 | I | 83.8 | Confident | 81.5 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 32% | 0.323 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -81.6 | -50.1 | -173 | -61.6 | 175.2 | 0 | 0 | 0 | 111.1 | L2390 F2394 S2490 I2498 V2499 | L2390-I2494 HydrophobicContact CD1-CG2 3.91Å; L2390-I2494 HydrophobicContact CD2-CG2 4Å; F2394-I2494 HydrophobicContact CE2-CB 4.28Å; F2394-I2494 HydrophobicContact CE2-CG2 4.37Å; F2394-I2494 HydrophobicContact CZ-CB 4.36Å; F2394-I2494 HydrophobicContact CZ-CD1 4.24Å; S2490-I2494 WeakPolarHBondContact O-CB 3.36Å; S2490-I2494 VanDerWaalsContact O-CG1 3.26Å; S2490-I2494 WeakPolarHBondContact O-CG1 2.96Å; S2490-I2494 PolarHBondContact O-N 3.12Å; I2494-I2498 WeakPolarHBondContact O-CB 3.13Å; I2494-V2499 VanDerWaalsContact O-CG2 3.28Å; I2494-V2499 WeakPolarHBondContact O-CG2 3.26Å; I2494-V2499 PolarHBondContact O-N 3.36Å |
| 2495 | L | 81.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -85.1 | -43.2 | -175.9 | -83.2 | 165.9 | 0 | 0 | 0 | 113.2 | A2387 L2390 V2391 F2394 F2491 V2499 L2500 | A2387-L2495 HydrophobicContact CB-CD2 4.44Å; L2390-L2495 HydrophobicContact CB-CD1 4.42Å; L2390-L2495 HydrophobicContact CB-CD2 3.59Å; L2390-L2495 HydrophobicContact CB-CG 4.03Å; L2390-L2495 HydrophobicContact CD1-CD2 4.28Å; V2391-L2495 HydrophobicContact CG2-CD1 3.8Å; V2391-L2495 HydrophobicContact CG2-CD2 3.92Å; F2394-L2495 HydrophobicContact CD2-CD1 3.46Å; F2394-L2495 VanDerWaalsContact CD2-CD1 3.46Å; F2394-L2495 HydrophobicContact CD2-CG 4.19Å; F2394-L2495 HydrophobicContact CE2-CD1 3.96Å; F2394-L2495 HydrophobicContact CE2-CG 4.25Å; F2394-L2495 HydrophobicContact CG-CD1 4.18Å; F2491-L2495 HydrophobicContact CD2-CD1 3.57Å; F2491-L2495 HydrophobicContact CE1-CB 4.36Å; F2491-L2495 HydrophobicContact CE1-CD1 4.31Å; F2491-L2495 HydrophobicContact CE2-CD1 3.21Å; F2491-L2495 HydrophobicContact CG-CD1 4.25Å; F2491-L2495 HydrophobicContact CZ-CB 4.4Å; F2491-L2495 HydrophobicContact CZ-CD1 3.64Å; F2491-L2495 WeakPolarHBondContact O-CB 3.32Å; F2491-L2495 PolarHBondContact O-N 3.31Å; L2495-V2499 WeakPolarHBondContact O-CB 3.23Å; L2495-L2500 PolarHBondContact O-N 3.38Å |
| 2496 | I | 79.8 | Confident | 81.4 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -86.3 | -50.3 | -177 | -52.4 | -60.6 | 0 | 0 | 0 | 110.8 | L2461 F2491 Y2492 L2500 | L2461-I2496 HydrophobicContact CD2-CD1 4.16Å; F2491-I2496 HydrophobicContact CD1-CG1 4.49Å; F2491-I2496 HydrophobicContact CE1-CD1 4.31Å; F2491-I2496 HydrophobicContact CE1-CG1 4.26Å; Y2492-I2496 HydrophobicContact CD2-CB 4.06Å; Y2492-I2496 HydrophobicContact CD2-CG1 4.27Å; Y2492-I2496 HydrophobicContact CD2-CG2 4.26Å; Y2492-I2496 HydrophobicContact CE2-CB 4.35Å; Y2492-I2496 HydrophobicContact CE2-CG2 4.06Å; Y2492-I2496 CarbonylContact O-C 3.6Å; Y2492-I2496 WeakPolarHBondContact O-CA 3.43Å; Y2492-I2496 VanDerWaalsContact O-CB 3.28Å; Y2492-I2496 WeakPolarHBondContact O-CB 3.12Å; Y2492-I2496 PolarHBondContact O-N 2.84Å; Y2492-I2496 VanDerWaalsContact O-N 3.1Å; I2496-L2500 WeakPolarHBondContact O-CB 3.45Å |
| 2497 | V | 81.8 | Confident | 80.9 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 26% | 0.255 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -78.1 | -49.5 | -176.8 | -179 | 0 | 0 | 0 | 0 | 111.6 | Y2492 F2493 N2501 | Y2492-V2497 HydrophobicContact CD1-CG2 3.94Å; Y2492-V2497 HydrophobicContact CE1-CG2 3.59Å; Y2492-V2497 PolarHBondContact O-N 2.76Å; F2493-V2497 HydrophobicContact CD1-CB 4.4Å; F2493-V2497 HydrophobicContact CD1-CG1 4.43Å; F2493-V2497 WeakPolarHBondContact O-CB 3.27Å; V2497-N2501 WeakPolarHBondContact O-CB 3.38Å; V2497-N2501 PolarHBondContact O-ND2 2.81Å |
| 2498 | I | 82.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -79.8 | -57.2 | -174.9 | -68.2 | 166.2 | 0 | 0 | 0 | 111.3 | F2493 I2494 N2501 L2502 | F2493-I2498 VanDerWaalsContact O-CG1 3.27Å; F2493-I2498 WeakPolarHBondContact O-CG1 3.24Å; F2493-I2498 PolarHBondContact O-N 2.63Å; I2494-I2498 WeakPolarHBondContact O-CB 3.13Å; I2498-N2501 PolarHBondContact O-N 3.46Å; I2498-L2502 HydrophobicContact CG2-CD1 3.9Å; I2498-L2502 WeakPolarHBondContact O-CB 3.45Å; I2498-L2502 WeakPolarHBondContact O-CG 3.48Å; I2498-L2502 PolarHBondContact O-N 3.43Å |
| 2499 | V | 80.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -68.9 | -41.2 | -172.3 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | A2387 L2390 I2494 L2495 L2502 I2503 | A2387-V2499 HydrophobicContact CB-CG1 3.56Å; L2390-V2499 HydrophobicContact CD1-CG2 3.51Å; I2494-V2499 VanDerWaalsContact O-CG2 3.28Å; I2494-V2499 WeakPolarHBondContact O-CG2 3.26Å; I2494-V2499 PolarHBondContact O-N 3.36Å; L2495-V2499 WeakPolarHBondContact O-CB 3.23Å; V2499-L2502 WeakPolarHBondContact O-CB 3.43Å; V2499-L2502 PolarHBondContact O-N 3.32Å; V2499-I2503 WeakPolarHBondContact O-CG1 3.43Å; V2499-I2503 PolarHBondContact O-N 3.28Å; V2499-I2503 VanDerWaalsContact O-N 3.12Å |
| 2500 | L | 75.4 | Confident | 79.9 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 37% | 0.372 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 176.6 | -153.3 | 75.3 | 0 | 0 | 0 | 111.5 | L2495 I2496 L2502 I2503 F2504 | L2495-L2500 PolarHBondContact O-N 3.38Å; I2496-L2500 WeakPolarHBondContact O-CB 3.45Å; L2500-L2502 VanDerWaalsContact C-N 3.31Å; L2500-L2502 PolarHBondContact O-N 2.89Å; L2500-I2503 PolarHBondContact O-N 3.33Å; L2500-F2504 HydrophobicContact CD2-CE2 3.69Å; L2500-F2504 HydrophobicContact CD2-CZ 4.11Å; L2500-F2504 HydrophobicContact CG-CD2 4.31Å; L2500-F2504 HydrophobicContact CG-CE2 3.68Å; L2500-F2504 HydrophobicContact CG-CZ 4.1Å; L2500-F2504 VanDerWaalsContact O-CD2 3.28Å; L2500-F2504 WeakPolarHBondContact O-CD2 3.36Å; L2500-F2504 WeakPolarHBondContact O-CG 3.2Å; L2500-F2504 PolarHBondContact O-N 2.97Å |
| 2501 | N | 79 | Confident | 79.3 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.8 | -27.3 | 175.5 | -69.8 | -29.6 | 0 | 0 | 0 | 112.8 | V2497 I2498 F2504 G2505 | V2497-N2501 WeakPolarHBondContact O-CB 3.38Å; V2497-N2501 PolarHBondContact O-ND2 2.81Å; I2498-N2501 PolarHBondContact O-N 3.46Å; N2501-F2504 PolarHBondContact O-N 2.8Å; N2501-G2505 PolarHBondContact O-N 3.18Å |
| 2502 | L | 81.9 | Confident | 78.6 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 169.7 | -81.9 | 165.3 | 0 | 0 | 0 | 111.3 | T2383 I2498 V2499 L2500 G2505 V2506 | T2383-L2502 HydrophobicContact CG2-CB 3.92Å; I2498-L2502 HydrophobicContact CG2-CD1 3.9Å; I2498-L2502 WeakPolarHBondContact O-CB 3.45Å; I2498-L2502 WeakPolarHBondContact O-CG 3.48Å; I2498-L2502 PolarHBondContact O-N 3.43Å; V2499-L2502 WeakPolarHBondContact O-CB 3.43Å; V2499-L2502 PolarHBondContact O-N 3.32Å; L2500-L2502 VanDerWaalsContact C-N 3.31Å; L2500-L2502 PolarHBondContact O-N 2.89Å; L2502-G2505 PolarHBondContact O-N 3.23Å; L2502-V2506 WeakPolarHBondContact O-CG2 3.49Å; L2502-V2506 PolarHBondContact O-N 3.47Å |
| 2503 | I | 77 | Confident | 78.1 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 175 | -65.9 | 169.9 | 0 | 0 | 0 | 110.1 | T2383 V2499 L2500 G2505 V2506 I2507 | T2383-I2503 HydrophobicContact CG2-CG1 3.86Å; V2499-I2503 WeakPolarHBondContact O-CG1 3.43Å; V2499-I2503 PolarHBondContact O-N 3.28Å; V2499-I2503 VanDerWaalsContact O-N 3.12Å; L2500-I2503 PolarHBondContact O-N 3.33Å; I2503-G2505 VanDerWaalsContact C-N 3.35Å; I2503-G2505 PolarHBondContact O-N 3.3Å; I2503-V2506 PolarHBondContact O-N 3.05Å; I2503-I2507 HydrophobicContact CG2-CD1 3.98Å; I2503-I2507 WeakPolarHBondContact O-CD1 3.49Å; I2503-I2507 VanDerWaalsContact O-CG1 3.28Å; I2503-I2507 WeakPolarHBondContact O-CG1 3.04Å; I2503-I2507 PolarHBondContact O-N 3.01Å; I2503-I2507 VanDerWaalsContact O-N 3.16Å |
| 2504 | F | 74.9 | Confident | 77.4 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 46% | 0.461 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.9 | -66.4 | -44.5 | 0 | 0 | 0 | 112.6 | L2500 N2501 I2507 I2508 | L2500-F2504 HydrophobicContact CD2-CE2 3.69Å; L2500-F2504 HydrophobicContact CD2-CZ 4.11Å; L2500-F2504 HydrophobicContact CG-CD2 4.31Å; L2500-F2504 HydrophobicContact CG-CE2 3.68Å; L2500-F2504 HydrophobicContact CG-CZ 4.1Å; L2500-F2504 VanDerWaalsContact O-CD2 3.28Å; L2500-F2504 WeakPolarHBondContact O-CD2 3.36Å; L2500-F2504 WeakPolarHBondContact O-CG 3.2Å; L2500-F2504 PolarHBondContact O-N 2.97Å; N2501-F2504 PolarHBondContact O-N 2.8Å; F2504-I2507 PolarHBondContact O-N 3.32Å; F2504-I2508 VanDerWaalsContact O-CG1 3.26Å; F2504-I2508 WeakPolarHBondContact O-CG1 3.46Å; F2504-I2508 PolarHBondContact O-N 3.28Å |
| 2505 | G | 79.2 | Confident | 76.8 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N2501 L2502 I2503 I2507 I2508 D2509 | N2501-G2505 PolarHBondContact O-N 3.18Å; L2502-G2505 PolarHBondContact O-N 3.23Å; I2503-G2505 VanDerWaalsContact C-N 3.35Å; I2503-G2505 PolarHBondContact O-N 3.3Å; G2505-I2507 PolarHBondContact O-N 3.3Å; G2505-I2508 PolarHBondContact O-N 3.5Å; G2505-I2508 VanDerWaalsContact O-N 3.13Å; G2505-D2509 PolarHBondContact O-N 3.19Å |
| 2506 | V | 80.1 | Confident | 76.5 | Confident | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | N2376 I2380 L2502 I2503 T2510 | N2376-V2506 HydrophobicContact CB-CG1 3.8Å; I2380-V2506 HydrophobicContact CD1-CG1 4.48Å; I2380-V2506 HydrophobicContact CG1-CB 4.47Å; I2380-V2506 HydrophobicContact CG1-CG1 3.82Å; L2502-V2506 WeakPolarHBondContact O-CG2 3.49Å; L2502-V2506 PolarHBondContact O-N 3.47Å; I2503-V2506 PolarHBondContact O-N 3.05Å; V2506-T2510 WeakPolarHBondContact O-CG2 3.38Å; V2506-T2510 PolarHBondContact O-N 3.5Å; V2506-T2510 PolarHBondContact O-OG1 3.44Å |
| 2507 | I | 73.4 | Confident | 75.9 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.159 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.3 | -38.5 | 176.6 | -66.9 | 167.2 | 0 | 0 | 0 | 111.6 | V2373 I2380 I2503 F2504 G2505 T2510 F2511 | V2373-I2507 HydrophobicContact CG2-CD1 4.13Å; V2373-I2507 HydrophobicContact CG2-CG1 4.32Å; I2380-I2507 HydrophobicContact CD1-CD1 4.41Å; I2380-I2507 HydrophobicContact CD1-CG1 3.9Å; I2503-I2507 HydrophobicContact CG2-CD1 3.98Å; I2503-I2507 WeakPolarHBondContact O-CD1 3.49Å; I2503-I2507 VanDerWaalsContact O-CG1 3.28Å; I2503-I2507 WeakPolarHBondContact O-CG1 3.04Å; I2503-I2507 PolarHBondContact O-N 3.01Å; I2503-I2507 VanDerWaalsContact O-N 3.16Å; F2504-I2507 PolarHBondContact O-N 3.32Å; G2505-I2507 PolarHBondContact O-N 3.3Å; I2507-T2510 WeakPolarHBondContact CA-OG1 3.37Å; I2507-T2510 PolarHBondContact O-N 3.3Å; I2507-T2510 PolarHBondContact O-OG1 3.37Å; I2507-F2511 HydrophobicContact CG2-CD2 3.94Å; I2507-F2511 HydrophobicContact CG2-CE2 3.78Å; I2507-F2511 WeakPolarHBondContact O-CD2 3.45Å; I2507-F2511 PolarHBondContact O-N 3.48Å; I2507-F2511 VanDerWaalsContact O-N 3.08Å |
| 2508 | I | 76 | Confident | 75.3 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 177.7 | -69.5 | 165.8 | 0 | 0 | 0 | 110.9 | F2504 G2505 T2510 F2511 A2512 | F2504-I2508 VanDerWaalsContact O-CG1 3.26Å; F2504-I2508 WeakPolarHBondContact O-CG1 3.46Å; F2504-I2508 PolarHBondContact O-N 3.28Å; G2505-I2508 PolarHBondContact O-N 3.5Å; G2505-I2508 VanDerWaalsContact O-N 3.13Å; I2508-T2510 VanDerWaalsContact C-N 3.34Å; I2508-T2510 PolarHBondContact O-N 3.03Å; I2508-F2511 WeakPolarHBondContact O-CB 3.08Å; I2508-F2511 PolarHBondContact O-N 3.09Å; I2508-F2511 VanDerWaalsContact O-N 3.15Å; I2508-A2512 PolarHBondContact O-N 3.46Å |
| 2509 | D | 78.1 | Confident | 74.8 | Confident | 104 Ų | 104 | 67.7 Ų | 67.7 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 175.5 | -77.4 | -9.8 | 0 | 0 | 0 | 111.1 | G2505 F2511 A2512 D2513 | G2505-D2509 PolarHBondContact O-N 3.19Å; D2509-F2511 VanDerWaalsContact C-N 3.31Å; D2509-F2511 PolarHBondContact O-N 3.32Å; D2509-A2512 WeakPolarHBondContact O-CA 3.1Å; D2509-A2512 WeakPolarHBondContact O-CB 3.24Å; D2509-A2512 PolarHBondContact O-N 3.43Å; D2509-D2513 PolarHBondContact O-N 3.05Å |
| 2510 | T | 74.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -31.5 | 173.5 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | S2372 N2376 V2506 I2507 I2508 A2512 L2514 | S2372-T2510 VanDerWaalsContact CA-OG1 3.32Å; S2372-T2510 WeakPolarHBondContact CA-OG1 3.42Å; S2372-T2510 WeakPolarHBondContact CB-OG1 3.47Å; S2372-T2510 WeakPolarHBondContact O-CB 3.23Å; S2372-T2510 WeakPolarHBondContact O-CG2 3.45Å; S2372-T2510 PolarHBondContact O-OG1 2.85Å; N2376-T2510 HydrophobicContact CB-CG2 3.65Å; N2376-T2510 WeakPolarHBondContact ND2-CG2 3.36Å; V2506-T2510 WeakPolarHBondContact O-CG2 3.38Å; V2506-T2510 PolarHBondContact O-N 3.5Å; V2506-T2510 PolarHBondContact O-OG1 3.44Å; I2507-T2510 WeakPolarHBondContact CA-OG1 3.37Å; I2507-T2510 PolarHBondContact O-N 3.3Å; I2507-T2510 PolarHBondContact O-OG1 3.37Å; I2508-T2510 VanDerWaalsContact C-N 3.34Å; I2508-T2510 PolarHBondContact O-N 3.03Å; T2510-A2512 VanDerWaalsContact C-N 3.32Å; T2510-L2514 WeakPolarHBondContact O-CB 3.36Å; T2510-L2514 WeakPolarHBondContact O-CD1 3.12Å; T2510-L2514 WeakPolarHBondContact O-CG 3.49Å; T2510-L2514 PolarHBondContact O-N 3.15Å |
| 2511 | F | 72.6 | Confident | 74 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.8 | -28.2 | 170.1 | -86.2 | -66.9 | 0 | 0 | 0 | 113.3 | N2368 V2369 S2372 I2507 I2508 D2509 R2515 | N2368-F2511 HydrophobicContact CB-CE1 4.42Å; V2369-F2511 HydrophobicContact CB-CZ 4.16Å; V2369-F2511 HydrophobicContact CG2-CE1 4.39Å; V2369-F2511 HydrophobicContact CG2-CZ 3.72Å; S2372-F2511 WeakPolarHBondContact OG-CE2 3.45Å; I2507-F2511 HydrophobicContact CG2-CD2 3.94Å; I2507-F2511 HydrophobicContact CG2-CE2 3.78Å; I2507-F2511 WeakPolarHBondContact O-CD2 3.45Å; I2507-F2511 PolarHBondContact O-N 3.48Å; I2507-F2511 VanDerWaalsContact O-N 3.08Å; I2508-F2511 WeakPolarHBondContact O-CB 3.08Å; I2508-F2511 PolarHBondContact O-N 3.09Å; I2508-F2511 VanDerWaalsContact O-N 3.15Å; D2509-F2511 VanDerWaalsContact C-N 3.31Å; D2509-F2511 PolarHBondContact O-N 3.32Å; F2511-R2515 WeakPolarHBondContact O-CG 3.38Å; F2511-R2515 PolarHBondContact O-N 2.76Å; F2511-R2515 PolarHBondContact O-NE 3.21Å |
| 2512 | A | 70.8 | Confident | 73.6 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74 | -46.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I2508 D2509 T2510 L2514 R2515 N2516 | I2508-A2512 PolarHBondContact O-N 3.46Å; D2509-A2512 WeakPolarHBondContact O-CA 3.1Å; D2509-A2512 WeakPolarHBondContact O-CB 3.24Å; D2509-A2512 PolarHBondContact O-N 3.43Å; T2510-A2512 VanDerWaalsContact C-N 3.32Å; A2512-L2514 VanDerWaalsContact C-N 3.34Å; A2512-L2514 PolarHBondContact O-N 3.12Å; A2512-R2515 WeakPolarHBondContact O-CA 3.36Å; A2512-R2515 WeakPolarHBondContact O-CB 3.47Å; A2512-R2515 PolarHBondContact O-N 2.85Å; A2512-N2516 PolarHBondContact O-N 3.36Å |
| 2513 | D | 73.6 | Confident | 73.2 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 175.7 | -71.2 | -17.2 | 0 | 0 | 0 | 111.9 | D2509 R2515 N2516 E2517 | D2509-D2513 PolarHBondContact O-N 3.05Å; D2513-R2515 VanDerWaalsContact C-N 3.26Å; D2513-R2515 PolarHBondContact O-N 3.08Å; D2513-N2516 PolarHBondContact O-N 2.85Å; D2513-E2517 WeakPolarHBondContact O-CB 3.09Å; D2513-E2517 PolarHBondContact O-N 3.45Å |
| 2514 | L | 69.5 | Low | 73.1 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.9 | -30.8 | 175.7 | -74.7 | 169.3 | 0 | 0 | 0 | 112.7 | R2371 T2510 A2512 K2518 | R2371-L2514 HydrophobicContact CB-CD1 4.24Å; T2510-L2514 WeakPolarHBondContact O-CB 3.36Å; T2510-L2514 WeakPolarHBondContact O-CD1 3.12Å; T2510-L2514 WeakPolarHBondContact O-CG 3.49Å; T2510-L2514 PolarHBondContact O-N 3.15Å; A2512-L2514 VanDerWaalsContact C-N 3.34Å; A2512-L2514 PolarHBondContact O-N 3.12Å; L2514-K2518 VanDerWaalsContact O-CB 3.31Å; L2514-K2518 WeakPolarHBondContact O-CB 3.43Å; L2514-K2518 PolarHBondContact O-N 2.96Å; L2514-K2518 VanDerWaalsContact O-N 3.12Å |
| 2515 | R | 71.4 | Confident | 73 | Confident | 158 Ų | 158 | 70.3 Ų | 70.3 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -75.3 | -41.5 | 174.3 | -82.3 | -179.4 | -76.7 | 170.1 | -3.3 | 111.7 | F2511 A2512 D2513 K2518 Q2519 | F2511-R2515 WeakPolarHBondContact O-CG 3.38Å; F2511-R2515 PolarHBondContact O-N 2.76Å; F2511-R2515 PolarHBondContact O-NE 3.21Å; A2512-R2515 WeakPolarHBondContact O-CA 3.36Å; A2512-R2515 WeakPolarHBondContact O-CB 3.47Å; A2512-R2515 PolarHBondContact O-N 2.85Å; D2513-R2515 VanDerWaalsContact C-N 3.26Å; D2513-R2515 PolarHBondContact O-N 3.08Å; R2515-K2518 PolarHBondContact O-N 2.88Å; R2515-Q2519 PolarHBondContact O-N 3.45Å |
| 2516 | N | 73.3 | Confident | 72.8 | Confident | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 176.4 | -67.8 | -14.3 | 0 | 0 | 0 | 110.8 | A2512 D2513 K2518 Q2519 E2520 | A2512-N2516 PolarHBondContact O-N 3.36Å; D2513-N2516 PolarHBondContact O-N 2.85Å; N2516-K2518 VanDerWaalsContact C-N 3.31Å; N2516-K2518 PolarHBondContact O-N 3.47Å; N2516-Q2519 CarbonylContact O-C 3.03Å; N2516-Q2519 WeakPolarHBondContact O-CA 3.16Å; N2516-Q2519 WeakPolarHBondContact O-CB 3.18Å; N2516-Q2519 PolarHBondContact O-N 3.12Å; N2516-Q2519 VanDerWaalsContact O-N 3.09Å; N2516-E2520 PolarHBondContact O-N 3.37Å |
| 2517 | E | 68.8 | Low | 72.8 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 175.7 | -171.9 | -179.4 | 170.2 | 0 | 0 | 111.8 | R2375 D2513 N2521 | R2375-E2517 IonicContact CZ-OE2 3.23Å; R2375-E2517 IonicContact NH1-OE2 3.32Å; R2375-E2517 PolarHBondContact NH1-OE2 2.74Å; R2375-E2517 IonicContact NH2-OE2 3.4Å; R2375-E2517 PolarHBondContact NH2-OE2 2.86Å; D2513-E2517 WeakPolarHBondContact O-CB 3.09Å; D2513-E2517 PolarHBondContact O-N 3.45Å; E2517-N2521 VanDerWaalsContact O-CB 3.27Å; E2517-N2521 WeakPolarHBondContact O-CB 3.33Å; E2517-N2521 VanDerWaalsContact O-CG 3.25Å; E2517-N2521 PolarHBondContact O-N 3.45Å; E2517-N2521 PolarHBondContact O-ND2 2.84Å; E2517-N2521 VanDerWaalsContact O-ND2 3.12Å |
| 2518 | K | 69.3 | Low | 73.2 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 171.5 | -175.1 | 172.8 | -179.8 | 168.7 | 0 | 111.4 | L2514 R2515 N2516 E2522 | L2514-K2518 VanDerWaalsContact O-CB 3.31Å; L2514-K2518 WeakPolarHBondContact O-CB 3.43Å; L2514-K2518 PolarHBondContact O-N 2.96Å; L2514-K2518 VanDerWaalsContact O-N 3.12Å; R2515-K2518 PolarHBondContact O-N 2.88Å; N2516-K2518 VanDerWaalsContact C-N 3.31Å; N2516-K2518 PolarHBondContact O-N 3.47Å; K2518-E2522 WeakPolarHBondContact O-CB 3.27Å; K2518-E2522 WeakPolarHBondContact O-CG 3.48Å; K2518-E2522 PolarHBondContact O-N 3.25Å |
| 2519 | Q | 72.3 | Confident | 73.6 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 175.7 | -105.7 | -179.9 | -32.5 | 0 | 0 | 112.4 | R2515 N2516 N2521 E2522 E2523 | R2515-Q2519 PolarHBondContact O-N 3.45Å; N2516-Q2519 CarbonylContact O-C 3.03Å; N2516-Q2519 WeakPolarHBondContact O-CA 3.16Å; N2516-Q2519 WeakPolarHBondContact O-CB 3.18Å; N2516-Q2519 PolarHBondContact O-N 3.12Å; N2516-Q2519 VanDerWaalsContact O-N 3.09Å; Q2519-N2521 PolarHBondContact O-N 3.09Å; Q2519-E2522 PolarHBondContact O-N 3.49Å; Q2519-E2523 WeakPolarHBondContact O-CG 3.41Å; Q2519-E2523 PolarHBondContact O-N 2.88Å |
| 2520 | E | 70.5 | Confident | 73.8 | Confident | 124 Ų | 124 | 67.5 Ų | 67.5 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -45.2 | 175.2 | -76.5 | -178.8 | 169 | 0 | 0 | 111.1 | N2516 E2522 E2523 I2524 | N2516-E2520 PolarHBondContact O-N 3.37Å; E2520-E2522 PolarHBondContact O-N 3.27Å; E2520-E2523 PolarHBondContact O-N 3.34Å; E2520-I2524 VanDerWaalsContact O-CG1 3.27Å; E2520-I2524 WeakPolarHBondContact O-CG1 3.49Å; E2520-I2524 PolarHBondContact O-N 3.02Å |
| 2521 | N | 68.8 | Low | 74.3 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.6 | -78 | -34.4 | 0 | 0 | 0 | 112 | E2517 Q2519 E2523 I2524 I2525 | E2517-N2521 VanDerWaalsContact O-CB 3.27Å; E2517-N2521 WeakPolarHBondContact O-CB 3.33Å; E2517-N2521 VanDerWaalsContact O-CG 3.25Å; E2517-N2521 PolarHBondContact O-N 3.45Å; E2517-N2521 PolarHBondContact O-ND2 2.84Å; E2517-N2521 VanDerWaalsContact O-ND2 3.12Å; Q2519-N2521 PolarHBondContact O-N 3.09Å; N2521-E2523 VanDerWaalsContact C-N 3.35Å; N2521-E2523 PolarHBondContact O-N 2.88Å; N2521-I2524 PolarHBondContact O-N 3.39Å; N2521-I2525 WeakPolarHBondContact O-CB 3.4Å; N2521-I2525 WeakPolarHBondContact O-CD1 3.36Å; N2521-I2525 WeakPolarHBondContact O-CG1 3.45Å; N2521-I2525 PolarHBondContact O-N 3.36Å |
| 2522 | E | 70.1 | Confident | 74.7 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 174.8 | -77.9 | -177.4 | -165.8 | 0 | 0 | 112.8 | K2518 Q2519 E2520 I2525 R2526 | K2518-E2522 WeakPolarHBondContact O-CB 3.27Å; K2518-E2522 WeakPolarHBondContact O-CG 3.48Å; K2518-E2522 PolarHBondContact O-N 3.25Å; Q2519-E2522 PolarHBondContact O-N 3.49Å; E2520-E2522 PolarHBondContact O-N 3.27Å; E2522-I2525 PolarHBondContact O-N 2.98Å; E2522-R2526 WeakPolarHBondContact O-CG 3.32Å; E2522-R2526 PolarHBondContact O-N 3.07Å; E2522-R2526 VanDerWaalsContact O-N 3.08Å; E2522-R2526 PolarHBondContact O-NE 3.29Å; E2522-R2526 IonicContact OE2-NH1 3.16Å; E2522-R2526 IonicContact OE2-NH2 3.84Å |
| 2523 | E | 73.2 | Confident | 75 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 173.9 | -76.8 | -173.9 | 176.4 | 0 | 0 | 112.1 | Q2519 E2520 N2521 I2525 R2526 N2527 | Q2519-E2523 WeakPolarHBondContact O-CG 3.41Å; Q2519-E2523 PolarHBondContact O-N 2.88Å; E2520-E2523 PolarHBondContact O-N 3.34Å; N2521-E2523 VanDerWaalsContact C-N 3.35Å; N2521-E2523 PolarHBondContact O-N 2.88Å; E2523-I2525 VanDerWaalsContact C-N 3.27Å; E2523-I2525 PolarHBondContact O-N 3.05Å; E2523-R2526 PolarHBondContact O-N 2.6Å; E2523-R2526 VanDerWaalsContact O-N 3.13Å; E2523-N2527 WeakPolarHBondContact O-CB 3.19Å; E2523-N2527 PolarHBondContact O-N 3.42Å |
| 2524 | I | 74.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 175.1 | -67.3 | 165.5 | 0 | 0 | 0 | 110.2 | R2248 E2520 N2521 R2526 T2528 | R2248-I2524 HydrophobicContact CB-CG2 3.77Å; E2520-I2524 VanDerWaalsContact O-CG1 3.27Å; E2520-I2524 WeakPolarHBondContact O-CG1 3.49Å; E2520-I2524 PolarHBondContact O-N 3.02Å; N2521-I2524 PolarHBondContact O-N 3.39Å; I2524-R2526 VanDerWaalsContact C-N 3.35Å; I2524-R2526 PolarHBondContact O-N 2.84Å; I2524-T2528 WeakPolarHBondContact O-CB 3.27Å; I2524-T2528 PolarHBondContact O-N 2.9Å; I2524-T2528 PolarHBondContact O-OG1 3.3Å |
| 2525 | I | 73.9 | Confident | 76 | Confident | 34 Ų | 34 | 65 Ų | 65 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.3 | -71 | 163.2 | 0 | 0 | 0 | 112.1 | F2243 L2244 N2521 E2522 E2523 | F2243-I2525 HydrophobicContact CE1-CG2 3.54Å; F2243-I2525 HydrophobicContact CZ-CG2 3.7Å; L2244-I2525 HydrophobicContact CD2-CD1 4.21Å; N2521-I2525 WeakPolarHBondContact O-CB 3.4Å; N2521-I2525 WeakPolarHBondContact O-CD1 3.36Å; N2521-I2525 WeakPolarHBondContact O-CG1 3.45Å; N2521-I2525 PolarHBondContact O-N 3.36Å; E2522-I2525 PolarHBondContact O-N 2.98Å; E2523-I2525 VanDerWaalsContact C-N 3.27Å; E2523-I2525 PolarHBondContact O-N 3.05Å |
| 2526 | R | 74.4 | Confident | 76.5 | Confident | 126 Ų | 126 | 61 Ų | 61 | 48% | 0.475 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -80.2 | -29 | -178.4 | -75.1 | -173.9 | -70.3 | -118.9 | -1.7 | 114.1 | E2522 E2523 I2524 R2536 F2546 | E2522-R2526 WeakPolarHBondContact O-CG 3.32Å; E2522-R2526 PolarHBondContact O-N 3.07Å; E2522-R2526 VanDerWaalsContact O-N 3.08Å; E2522-R2526 PolarHBondContact O-NE 3.29Å; E2522-R2526 IonicContact OE2-NH1 3.16Å; E2522-R2526 IonicContact OE2-NH2 3.84Å; E2523-R2526 PolarHBondContact O-N 2.6Å; E2523-R2526 VanDerWaalsContact O-N 3.13Å; I2524-R2526 VanDerWaalsContact C-N 3.35Å; I2524-R2526 PolarHBondContact O-N 2.84Å; R2526-R2536 PolarHBondContact O-NE 2.91Å; R2526-R2536 PolarHBondContact O-NH2 3.31Å; R2526-R2536 VanDerWaalsContact O-NH2 3.15Å; R2526-F2546 WeakPolarHBondContact O-CE1 2.97Å |
| 2527 | N | 80.3 | Confident | 76.6 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -112.8 | -6.6 | -167.6 | -65.4 | -23.3 | 0 | 0 | 0 | 114.7 | E2523 E2535 R2536 | E2523-N2527 WeakPolarHBondContact O-CB 3.19Å; E2523-N2527 PolarHBondContact O-N 3.42Å; N2527-E2535 CarbonylContact O-C 3.54Å; N2527-E2535 VanDerWaalsContact O-CA 3.32Å; N2527-E2535 WeakPolarHBondContact O-CA 3.49Å; N2527-R2536 PolarHBondContact O-N 2.93Å; N2527-R2536 PolarHBondContact OD1-NE 3.35Å |
| 2528 | T | 81.2 | Confident | 77 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 129.6 | -175.7 | -21.3 | 0 | 0 | 0 | 0 | 111.2 | I2524 E2535 | I2524-T2528 WeakPolarHBondContact O-CB 3.27Å; I2524-T2528 PolarHBondContact O-N 2.9Å; I2524-T2528 PolarHBondContact O-OG1 3.3Å; T2528-E2535 HydrophobicContact CG2-CG 4.33Å |
| 2529 | C | 84.7 | Confident | 77.5 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | trans | -69 | 133.9 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | I2531 G2533 L2534 F2546 V2550 H2554 | C2529-I2531 PolarHBondContact O-N 3.3Å; C2529-G2533 WeakPolarHBondContact O-CA 3.43Å; C2529-G2533 PolarHBondContact O-N 2.86Å; C2529-L2534 PolarHBondContact N-O 3.21Å; C2529-F2546 HydrophobicContact CB-CE2 3.91Å; C2529-F2546 HydrophobicContact CB-CZ 4.31Å; C2529-V2550 HydrophobicContact CB-CG2 4.15Å; C2529-H2554 VanDerWaalsContact SG-CB 3.56Å | ||
| 2530 | F | 81.4 | Confident | 77.2 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -40.5 | -176.6 | -170.8 | -89.9 | 0 | 0 | 0 | 113.4 | F2258 M2556 | F2258-F2530 HydrophobicContact CB-CE1 3.92Å; F2258-F2530 HydrophobicContact CB-CZ 3.81Å; F2258-F2530 AromaticContact CD1-CE1 3.75Å; F2258-F2530 HydrophobicContact CD1-CE1 3.75Å; F2258-F2530 HydrophobicContact CD1-CZ 4.4Å; F2258-F2530 HydrophobicContact CD2-CE1 4.39Å; F2258-F2530 HydrophobicContact CD2-CZ 4.34Å; F2258-F2530 HydrophobicContact CE1-CE1 4.36Å; F2258-F2530 AromaticContact CG-CE1 3.77Å; F2258-F2530 HydrophobicContact CG-CE1 3.77Å; F2258-F2530 AromaticContact CG-CZ 3.94Å; F2258-F2530 HydrophobicContact CG-CZ 3.94Å; F2530-M2556 HydrophobicContact CD1-CB 4.04Å; F2530-M2556 HydrophobicContact CD1-CG 3.58Å; F2530-M2556 HydrophobicContact CD1-SD 3.55Å; F2530-M2556 VanDerWaalsContact CD1-SD 3.55Å; F2530-M2556 HydrophobicContact CD2-SD 3.9Å; F2530-M2556 HydrophobicContact CE1-CG 3.68Å; F2530-M2556 HydrophobicContact CE1-SD 3.41Å; F2530-M2556 WeakPolarHBondContact CE1-SD 3.49Å; F2530-M2556 HydrophobicContact CE2-SD 3.76Å; F2530-M2556 HydrophobicContact CG-CB 4.45Å; F2530-M2556 HydrophobicContact CG-CG 4.25Å; F2530-M2556 HydrophobicContact CG-SD 3.79Å; F2530-M2556 HydrophobicContact CZ-CG 4.39Å; F2530-M2556 HydrophobicContact CZ-SD 3.52Å; F2530-M2556 VanDerWaalsContact CZ-SD 3.52Å |
| 2531 | I | 84.6 | Confident | 76.9 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -60.1 | -173.1 | -62.9 | -66 | 0 | 0 | 0 | 111.5 | C2529 H2554 Y2559 F2593 P2594 | C2529-I2531 PolarHBondContact O-N 3.3Å; I2531-H2554 HydrophobicContact CB-CB 4.05Å; I2531-H2554 HydrophobicContact CG1-CB 4.34Å; I2531-Y2559 HydrophobicContact CB-CE2 4.36Å; I2531-Y2559 HydrophobicContact CD1-CD2 3.54Å; I2531-Y2559 HydrophobicContact CD1-CE2 3.75Å; I2531-Y2559 HydrophobicContact CD1-CG 3.99Å; I2531-Y2559 HydrophobicContact CG1-CD2 3.93Å; I2531-Y2559 HydrophobicContact CG1-CE2 3.68Å; I2531-Y2559 HydrophobicContact CG2-CE1 4.31Å; I2531-Y2559 HydrophobicContact CG2-CE2 3.88Å; I2531-F2593 HydrophobicContact CD1-CD1 4.31Å; I2531-F2593 HydrophobicContact CD1-CE1 4.19Å; I2531-F2593 HydrophobicContact CG2-CD1 4.47Å; I2531-P2594 HydrophobicContact CG2-CG 3.74Å |
| 2532 | C | 82.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18.4 | -178.7 | 61.8 | 0 | 0 | 0 | 0 | 116.1 | L2534 H2549 H2554 P2594 M2596 | C2532-L2534 HydrophobicContact CB-CD1 4.41Å; C2532-L2534 HydrophobicContact CB-CG 4.26Å; C2532-L2534 PolarHBondContact O-N 3.45Å; C2532-H2549 PolarHBondContact SG-NE2 3.08Å; C2532-H2554 VanDerWaalsContact CB-CE1 3.47Å; C2532-H2554 WeakPolarHBondContact CB-CE1 3.4Å; C2532-H2554 WeakPolarHBondContact CB-ND1 3.17Å; C2532-H2554 PolarHBondContact SG-ND1 3.24Å; C2532-P2594 WeakPolarHBondContact CA-O 3.33Å; C2532-P2594 VanDerWaalsContact CB-O 3.28Å; C2532-P2594 WeakPolarHBondContact CB-O 2.92Å; C2532-M2596 WeakPolarHBondContact O-CA 3.44Å; C2532-M2596 PolarHBondContact O-N 3.26Å |
| 2533 | G | 77.7 | Confident | 76.4 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | trans | 72.2 | 10.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q2251 C2529 | Q2251-G2533 PolarHBondContact NE2-O 3.36Å; C2529-G2533 WeakPolarHBondContact O-CA 3.43Å; C2529-G2533 PolarHBondContact O-N 2.86Å | ||
| 2534 | L | 83.1 | Confident | 76.2 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -70.8 | 138.6 | 173.1 | -66.7 | 171.9 | 0 | 0 | 0 | 110.4 | C2529 C2532 V2538 F2539 M2596 T2598 L2601 | C2529-L2534 PolarHBondContact N-O 3.21Å; C2532-L2534 HydrophobicContact CB-CD1 4.41Å; C2532-L2534 HydrophobicContact CB-CG 4.26Å; C2532-L2534 PolarHBondContact O-N 3.45Å; L2534-V2538 HydrophobicContact CD2-CG2 4.47Å; L2534-F2539 HydrophobicContact CB-CE2 3.87Å; L2534-F2539 HydrophobicContact CB-CZ 4.44Å; L2534-F2539 HydrophobicContact CD1-CE2 4.32Å; L2534-F2539 HydrophobicContact CD1-CZ 4.15Å; L2534-M2596 HydrophobicContact CD2-SD 4.18Å; L2534-T2598 HydrophobicContact CD1-CG2 3.98Å; L2534-L2601 HydrophobicContact CD1-CD1 3.49Å; L2534-L2601 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 2535 | E | 79.3 | Confident | 76.5 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 152.4 | 175.6 | -68.2 | -179.4 | -176.8 | 0 | 0 | 111.6 | N2527 T2528 S2537 V2538 F2539 | N2527-E2535 CarbonylContact O-C 3.54Å; N2527-E2535 VanDerWaalsContact O-CA 3.32Å; N2527-E2535 WeakPolarHBondContact O-CA 3.49Å; T2528-E2535 HydrophobicContact CG2-CG 4.33Å; E2535-S2537 WeakPolarHBondContact CB-OG 3.28Å; E2535-S2537 PolarHBondContact O-N 3.38Å; E2535-S2537 VanDerWaalsContact O-N 3.17Å; E2535-S2537 PolarHBondContact OE2-OG 2.77Å; E2535-V2538 WeakPolarHBondContact O-CB 3.25Å; E2535-V2538 WeakPolarHBondContact O-CG2 3.43Å; E2535-V2538 PolarHBondContact O-N 2.77Å; E2535-F2539 WeakPolarHBondContact O-CD2 3.38Å |
| 2536 | R | 81.9 | Confident | 76.9 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -49.9 | -37.7 | 172.6 | 175.7 | -173.3 | -75.7 | -102 | -9.6 | 112 | R2526 N2527 V2538 F2539 E2540 F2546 E2547 | R2526-R2536 PolarHBondContact O-NE 2.91Å; R2526-R2536 PolarHBondContact O-NH2 3.31Å; R2526-R2536 VanDerWaalsContact O-NH2 3.15Å; N2527-R2536 PolarHBondContact O-N 2.93Å; N2527-R2536 PolarHBondContact OD1-NE 3.35Å; R2536-V2538 PolarHBondContact O-N 3.21Å; R2536-F2539 PolarHBondContact O-N 3.41Å; R2536-E2540 PolarHBondContact O-N 3.42Å; R2536-F2546 HydrophobicContact CB-CB 4.28Å; R2536-F2546 HydrophobicContact CB-CD1 4.01Å; R2536-F2546 HydrophobicContact CB-CD2 4.04Å; R2536-F2546 HydrophobicContact CB-CE1 4.34Å; R2536-F2546 HydrophobicContact CB-CE2 4.35Å; R2536-F2546 HydrophobicContact CB-CG 3.84Å; R2536-F2546 HydrophobicContact CB-CZ 4.49Å; R2536-F2546 HydrophobicContact CG-CB 3.96Å; R2536-F2546 HydrophobicContact CG-CD1 4.13Å; R2536-F2546 HydrophobicContact CG-CG 4Å; R2536-E2547 IonicContact CZ-OE1 3Å; R2536-E2547 IonicContact NH1-OE1 3.95Å; R2536-E2547 PolarHBondContact NH1-OE1 2.7Å; R2536-E2547 IonicContact NH2-OE1 2.63Å; R2536-E2547 PolarHBondContact NH2-OE1 3.24Å |
| 2537 | S | 76.5 | Confident | 77.2 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -55.1 | -31 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | E2535 F2539 | E2535-S2537 WeakPolarHBondContact CB-OG 3.28Å; E2535-S2537 PolarHBondContact O-N 3.38Å; E2535-S2537 VanDerWaalsContact O-N 3.17Å; E2535-S2537 PolarHBondContact OE2-OG 2.77Å; S2537-F2539 PolarHBondContact O-N 3.12Å |
| 2538 | V | 76.4 | Confident | 77.2 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -70.1 | -23 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | L2534 E2535 R2536 L2601 | L2534-V2538 HydrophobicContact CD2-CG2 4.47Å; E2535-V2538 WeakPolarHBondContact O-CB 3.25Å; E2535-V2538 WeakPolarHBondContact O-CG2 3.43Å; E2535-V2538 PolarHBondContact O-N 2.77Å; R2536-V2538 PolarHBondContact O-N 3.21Å; V2538-L2601 HydrophobicContact CG1-CD1 3.93Å |
| 2539 | F | 79.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -22.7 | -175.8 | -67.1 | -93.1 | 0 | 0 | 0 | 113.8 | L2534 E2535 R2536 S2537 N2541 K2542 F2546 H2549 T2598 L2601 | L2534-F2539 HydrophobicContact CB-CE2 3.87Å; L2534-F2539 HydrophobicContact CB-CZ 4.44Å; L2534-F2539 HydrophobicContact CD1-CE2 4.32Å; L2534-F2539 HydrophobicContact CD1-CZ 4.15Å; E2535-F2539 WeakPolarHBondContact O-CD2 3.38Å; R2536-F2539 PolarHBondContact O-N 3.41Å; S2537-F2539 PolarHBondContact O-N 3.12Å; F2539-N2541 PolarHBondContact O-N 3.38Å; F2539-K2542 PolarHBondContact O-N 2.79Å; F2539-F2546 HydrophobicContact CB-CB 4.06Å; F2539-F2546 HydrophobicContact CD2-CB 4.35Å; F2539-F2546 AromaticContact CD2-CD2 3.63Å; F2539-F2546 HydrophobicContact CD2-CD2 3.63Å; F2539-F2546 HydrophobicContact CD2-CG 4.48Å; F2539-F2546 AromaticContact CE2-CD2 3.89Å; F2539-F2546 HydrophobicContact CE2-CD2 3.89Å; F2539-F2546 HydrophobicContact CE2-CE2 4.43Å; F2539-F2546 HydrophobicContact CG-CB 4.27Å; F2539-F2546 HydrophobicContact CG-CD2 4.34Å; F2539-H2549 HydrophobicContact CD1-CB 4.15Å; F2539-H2549 HydrophobicContact CE1-CB 3.67Å; F2539-H2549 AromaticContact CE1-CD2 3.75Å; F2539-H2549 AromaticContact CE1-CG 3.45Å; F2539-H2549 VanDerWaalsContact CE1-CG 3.45Å; F2539-H2549 AromaticContact CE1-ND1 3.81Å; F2539-H2549 AromaticContact CE2-CD2 3.88Å; F2539-H2549 HydrophobicContact CZ-CB 4.09Å; F2539-H2549 AromaticContact CZ-CD2 3.23Å; F2539-H2549 WeakPolarHBondContact CZ-CD2 3.5Å; F2539-H2549 AromaticContact CZ-CE1 3.88Å; F2539-H2549 AromaticContact CZ-CG 3.47Å; F2539-H2549 VanDerWaalsContact CZ-CG 3.47Å; F2539-H2549 AromaticContact CZ-ND1 3.87Å; F2539-H2549 AromaticContact CZ-NE2 3.52Å; F2539-T2598 HydrophobicContact CZ-CG2 4.36Å; F2539-L2601 HydrophobicContact CE1-CD1 4.29Å; F2539-L2601 HydrophobicContact CE1-CD2 4.36Å; F2539-L2601 HydrophobicContact CE1-CG 4.41Å; F2539-L2601 HydrophobicContact CZ-CD1 4.14Å |
| 2540 | E | 67.1 | Low | 77.3 | Confident | 142 Ų | 142 | 54.7 Ų | 54.7 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.3 | -172.9 | -73.4 | -177.4 | 169.4 | 0 | 0 | 114.2 | R2536 | R2536-E2540 PolarHBondContact O-N 3.42Š|
| 2541 | N | 63.8 | Low | 77.2 | Confident | 162 Ų | 162 | 60.5 Ų | 60.5 | 87% | 0.866 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.5 | 177.5 | -67.2 | -36 | 0 | 0 | 0 | 114.3 | F2539 | F2539-N2541 PolarHBondContact O-N 3.38Š|
| 2542 | K | 64.1 | Low | 76.8 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -114.3 | 156.5 | -176.3 | -59.1 | -115.7 | -165.1 | 169.9 | 0 | 109.5 | F2539 V2544 L2601 | F2539-K2542 PolarHBondContact O-N 2.79Å; K2542-V2544 PolarHBondContact O-N 2.85Å; K2542-L2601 HydrophobicContact CB-CD2 4.39Å; K2542-L2601 HydrophobicContact CD-CD2 3.42Å; K2542-L2601 VanDerWaalsContact CD-CD2 3.42Å; K2542-L2601 HydrophobicContact CG-CD2 3.95Å |
| 2543 | P | 65 | Low | 76.7 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 83% | 0.831 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -66.4 | -3.8 | -178.3 | 25.8 | -34.9 | 0 | 0 | 0 | 114.7 | ||
| 2544 | V | 69.5 | Low | 77.1 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -112.3 | 119 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | K2542 H2549 K2600 | K2542-V2544 PolarHBondContact O-N 2.85Å; V2544-H2549 HydrophobicContact CG1-CB 4.23Å; V2544-K2600 HydrophobicContact CB-CD 4.39Å; V2544-K2600 HydrophobicContact CG1-CD 3.95Å; V2544-K2600 HydrophobicContact CG2-CB 4.2Å; V2544-K2600 HydrophobicContact CG2-CD 3.57Å; V2544-K2600 HydrophobicContact CG2-CG 4.49Å |
| 2545 | S | 79.7 | Confident | 77.3 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | trans | -70.6 | 152.8 | 174.6 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | E2547 E2548 H2549 | S2545-E2547 VanDerWaalsContact C-N 3.26Å; S2545-E2547 PolarHBondContact O-N 2.81Å; S2545-E2548 PolarHBondContact O-N 2.74Å; S2545-E2548 VanDerWaalsContact OG-CB 3.28Å; S2545-E2548 WeakPolarHBondContact OG-CB 3.36Å; S2545-E2548 PolarHBondContact OG-N 3.32Å; S2545-H2549 PolarHBondContact O-N 2.99Å | ||
| 2546 | F | 83 | Confident | 77.5 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176 | 179.4 | -103.8 | 0 | 0 | 0 | 111.8 | R2526 C2529 R2536 F2539 H2549 V2550 | R2526-F2546 WeakPolarHBondContact O-CE1 2.97Å; C2529-F2546 HydrophobicContact CB-CE2 3.91Å; C2529-F2546 HydrophobicContact CB-CZ 4.31Å; R2536-F2546 HydrophobicContact CB-CB 4.28Å; R2536-F2546 HydrophobicContact CB-CD1 4.01Å; R2536-F2546 HydrophobicContact CB-CD2 4.04Å; R2536-F2546 HydrophobicContact CB-CE1 4.34Å; R2536-F2546 HydrophobicContact CB-CE2 4.35Å; R2536-F2546 HydrophobicContact CB-CG 3.84Å; R2536-F2546 HydrophobicContact CB-CZ 4.49Å; R2536-F2546 HydrophobicContact CG-CB 3.96Å; R2536-F2546 HydrophobicContact CG-CD1 4.13Å; R2536-F2546 HydrophobicContact CG-CG 4Å; F2539-F2546 HydrophobicContact CB-CB 4.06Å; F2539-F2546 HydrophobicContact CD2-CB 4.35Å; F2539-F2546 AromaticContact CD2-CD2 3.63Å; F2539-F2546 HydrophobicContact CD2-CD2 3.63Å; F2539-F2546 HydrophobicContact CD2-CG 4.48Å; F2539-F2546 AromaticContact CE2-CD2 3.89Å; F2539-F2546 HydrophobicContact CE2-CD2 3.89Å; F2539-F2546 HydrophobicContact CE2-CE2 4.43Å; F2539-F2546 HydrophobicContact CG-CB 4.27Å; F2539-F2546 HydrophobicContact CG-CD2 4.34Å; F2546-H2549 WeakPolarHBondContact O-CB 3.26Å; F2546-H2549 PolarHBondContact O-N 3.15Å; F2546-V2550 HydrophobicContact CD1-CG2 4.35Å; F2546-V2550 HydrophobicContact CD2-CG2 4.38Å; F2546-V2550 HydrophobicContact CE1-CG2 3.92Å; F2546-V2550 HydrophobicContact CE2-CG2 3.97Å; F2546-V2550 HydrophobicContact CZ-CG2 3.72Å; F2546-V2550 WeakPolarHBondContact O-CG2 3.32Å; F2546-V2550 PolarHBondContact O-N 3.24Å |
| 2547 | E | 81 | Confident | 77.8 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.7 | -67.5 | 73.1 | -160.7 | 0 | 0 | 111.6 | R2536 S2545 H2549 V2550 E2551 | R2536-E2547 IonicContact CZ-OE1 3Å; R2536-E2547 IonicContact NH1-OE1 3.95Å; R2536-E2547 PolarHBondContact NH1-OE1 2.7Å; R2536-E2547 IonicContact NH2-OE1 2.63Å; R2536-E2547 PolarHBondContact NH2-OE1 3.24Å; S2545-E2547 VanDerWaalsContact C-N 3.26Å; S2545-E2547 PolarHBondContact O-N 2.81Å; E2547-H2549 VanDerWaalsContact C-N 3.28Å; E2547-H2549 PolarHBondContact O-N 3.5Å; E2547-V2550 PolarHBondContact O-N 2.82Å; E2547-E2551 WeakPolarHBondContact O-CB 3.35Å; E2547-E2551 WeakPolarHBondContact O-CG 3.22Å; E2547-E2551 PolarHBondContact O-N 2.78Å |
| 2548 | E | 79.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 178.8 | -172.2 | 170.6 | -154.6 | 0 | 0 | 111.4 | S2545 K2552 | S2545-E2548 PolarHBondContact O-N 2.74Å; S2545-E2548 VanDerWaalsContact OG-CB 3.28Å; S2545-E2548 WeakPolarHBondContact OG-CB 3.36Å; S2545-E2548 PolarHBondContact OG-N 3.32Å; E2548-K2552 HydrophobicContact CG-CD 3.84Å; E2548-K2552 HydrophobicContact CG-CG 4.32Å; E2548-K2552 WeakPolarHBondContact O-CB 3.29Å; E2548-K2552 PolarHBondContact O-N 3.38Å; E2548-K2552 IonicContact OE1-NZ 2.76Å; E2548-K2552 PolarHBondContact OE1-NZ 3.03Å |
| 2549 | H | 85.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -61.1 | -50.8 | 174.3 | 173.1 | 66.2 | 0 | 0 | 0 | 112.2 | C2532 F2539 V2544 S2545 F2546 E2547 D2553 H2554 | C2532-H2549 PolarHBondContact SG-NE2 3.08Å; F2539-H2549 HydrophobicContact CD1-CB 4.15Å; F2539-H2549 HydrophobicContact CE1-CB 3.67Å; F2539-H2549 AromaticContact CE1-CD2 3.75Å; F2539-H2549 AromaticContact CE1-CG 3.45Å; F2539-H2549 VanDerWaalsContact CE1-CG 3.45Å; F2539-H2549 AromaticContact CE1-ND1 3.81Å; F2539-H2549 AromaticContact CE2-CD2 3.88Å; F2539-H2549 HydrophobicContact CZ-CB 4.09Å; F2539-H2549 AromaticContact CZ-CD2 3.23Å; F2539-H2549 WeakPolarHBondContact CZ-CD2 3.5Å; F2539-H2549 AromaticContact CZ-CE1 3.88Å; F2539-H2549 AromaticContact CZ-CG 3.47Å; F2539-H2549 VanDerWaalsContact CZ-CG 3.47Å; F2539-H2549 AromaticContact CZ-ND1 3.87Å; F2539-H2549 AromaticContact CZ-NE2 3.52Å; V2544-H2549 HydrophobicContact CG1-CB 4.23Å; S2545-H2549 PolarHBondContact O-N 2.99Å; F2546-H2549 WeakPolarHBondContact O-CB 3.26Å; F2546-H2549 PolarHBondContact O-N 3.15Å; E2547-H2549 VanDerWaalsContact C-N 3.28Å; E2547-H2549 PolarHBondContact O-N 3.5Å; H2549-D2553 IonicContact ND1-OD2 3.14Å; H2549-D2553 CarbonylContact O-C 3.54Å; H2549-D2553 WeakPolarHBondContact O-CA 3.38Å; H2549-D2553 WeakPolarHBondContact O-CB 3.31Å; H2549-D2553 PolarHBondContact O-N 3.13Å; H2549-H2554 AromaticContact CE1-CD2 3.63Å; H2549-H2554 AromaticContact CE1-CE1 3.66Å; H2549-H2554 AromaticContact CE1-CG 3.28Å; H2549-H2554 AromaticContact CE1-ND1 3.34Å; H2549-H2554 PolarHBondContact CE1-ND1 3.16Å; H2549-H2554 VanDerWaalsContact CE1-ND1 3.34Å; H2549-H2554 AromaticContact CE1-NE2 3.85Å; H2549-H2554 AromaticContact NE2-CG 3.53Å; H2549-H2554 AromaticContact NE2-ND1 3.37Å; H2549-H2554 PolarHBondContact NE2-ND1 2.97Å; H2549-H2554 PolarHBondContact O-N 2.85Å |
| 2550 | V | 83 | Confident | 79.3 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 29% | 0.285 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -69.4 | -36.5 | -177.4 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | C2529 F2546 E2547 H2554 N2555 | C2529-V2550 HydrophobicContact CB-CG2 4.15Å; F2546-V2550 HydrophobicContact CD1-CG2 4.35Å; F2546-V2550 HydrophobicContact CD2-CG2 4.38Å; F2546-V2550 HydrophobicContact CE1-CG2 3.92Å; F2546-V2550 HydrophobicContact CE2-CG2 3.97Å; F2546-V2550 HydrophobicContact CZ-CG2 3.72Å; F2546-V2550 WeakPolarHBondContact O-CG2 3.32Å; F2546-V2550 PolarHBondContact O-N 3.24Å; E2547-V2550 PolarHBondContact O-N 2.82Å; V2550-H2554 CarbonylContact O-C 3.56Å; V2550-N2555 VanDerWaalsContact O-CA 3.24Å; V2550-N2555 WeakPolarHBondContact O-CA 3.47Å; V2550-N2555 PolarHBondContact O-N 3.36Å |
| 2551 | E | 78.8 | Confident | 80.3 | Confident | 134 Ų | 134 | 50.3 Ų | 50.3 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | I | π-helix | trans | -78.8 | -42.2 | -178.7 | -73.1 | -172.9 | 166.7 | 0 | 0 | 113.5 | E2547 N2555 | E2547-E2551 WeakPolarHBondContact O-CB 3.35Å; E2547-E2551 WeakPolarHBondContact O-CG 3.22Å; E2547-E2551 PolarHBondContact O-N 2.78Å; E2551-N2555 WeakPolarHBondContact O-CB 3.37Å; E2551-N2555 PolarHBondContact O-ND2 2.92Å |
| 2552 | K | 77 | Confident | 81.5 | Confident | 105 Ų | 105 | 42.6 Ų | 42.6 | 46% | 0.457 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -97.3 | -48.8 | -173.6 | -61.8 | -172.8 | -171.7 | 165 | 0 | 112.8 | H2210 E2548 K2558 | H2210-K2552 PolarHBondContact CE1-O 3.42Å; H2210-K2552 PolarHBondContact NE2-O 3.19Å; E2548-K2552 HydrophobicContact CG-CD 3.84Å; E2548-K2552 HydrophobicContact CG-CG 4.32Å; E2548-K2552 WeakPolarHBondContact O-CB 3.29Å; E2548-K2552 PolarHBondContact O-N 3.38Å; E2548-K2552 IonicContact OE1-NZ 2.76Å; E2548-K2552 PolarHBondContact OE1-NZ 3.03Å; K2552-K2558 PolarHBondContact O-NZ 2.93Å |
| 2553 | D | 78.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -89 | -56.6 | -171.2 | -51 | -34 | 0 | 0 | 0 | 111.9 | H2549 K2600 | H2549-D2553 IonicContact ND1-OD2 3.14Å; H2549-D2553 CarbonylContact O-C 3.54Å; H2549-D2553 WeakPolarHBondContact O-CA 3.38Å; H2549-D2553 WeakPolarHBondContact O-CB 3.31Å; H2549-D2553 PolarHBondContact O-N 3.13Å; D2553-K2600 VanDerWaalsContact CG-CE 3.45Å; D2553-K2600 WeakPolarHBondContact OD1-CE 3.37Å; D2553-K2600 IonicContact OD1-NZ 3.4Å; D2553-K2600 PolarHBondContact OD1-NZ 3.33Å; D2553-K2600 VanDerWaalsContact OD2-CD 3.27Å; D2553-K2600 WeakPolarHBondContact OD2-CD 3.39Å; D2553-K2600 WeakPolarHBondContact OD2-CE 3.43Å; D2553-K2600 IonicContact OD2-NZ 3.47Å; D2553-K2600 PolarHBondContact OD2-NZ 2.68Å |
| 2554 | H | 87.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -108.3 | 46.8 | -172.8 | -80.7 | -157.7 | 0 | 0 | 0 | 112.3 | E2212 C2529 I2531 C2532 H2549 V2550 M2556 R2597 | E2212-H2554 IonicContact OE2-CD2 3.13Å; E2212-H2554 IonicContact OE2-CE1 3.31Å; E2212-H2554 IonicContact OE2-NE2 3.39Å; E2212-H2554 PolarHBondContact OE2-NE2 2.63Å; C2529-H2554 VanDerWaalsContact SG-CB 3.56Å; I2531-H2554 HydrophobicContact CB-CB 4.05Å; I2531-H2554 HydrophobicContact CG1-CB 4.34Å; C2532-H2554 VanDerWaalsContact CB-CE1 3.47Å; C2532-H2554 WeakPolarHBondContact CB-CE1 3.4Å; C2532-H2554 WeakPolarHBondContact CB-ND1 3.17Å; C2532-H2554 PolarHBondContact SG-ND1 3.24Å; H2549-H2554 AromaticContact CE1-CD2 3.63Å; H2549-H2554 AromaticContact CE1-CE1 3.66Å; H2549-H2554 AromaticContact CE1-CG 3.28Å; H2549-H2554 AromaticContact CE1-ND1 3.34Å; H2549-H2554 PolarHBondContact CE1-ND1 3.16Å; H2549-H2554 VanDerWaalsContact CE1-ND1 3.34Å; H2549-H2554 AromaticContact CE1-NE2 3.85Å; H2549-H2554 AromaticContact NE2-CG 3.53Å; H2549-H2554 AromaticContact NE2-ND1 3.37Å; H2549-H2554 PolarHBondContact NE2-ND1 2.97Å; H2549-H2554 PolarHBondContact O-N 2.85Å; V2550-H2554 CarbonylContact O-C 3.56Å; H2554-M2556 PolarHBondContact O-N 3.29Å; H2554-R2597 PolarHBondContact CE1-O 2.87Å |
| 2555 | N | 85.9 | Confident | 84.2 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 22% | 0.219 | 16% | 0.164 | C | C | . | . | trans | -76.3 | 113.1 | 177.9 | -171.7 | -44.2 | 0 | 0 | 0 | 111 | V2550 E2551 W2557 K2558 Y2559 | V2550-N2555 VanDerWaalsContact O-CA 3.24Å; V2550-N2555 WeakPolarHBondContact O-CA 3.47Å; V2550-N2555 PolarHBondContact O-N 3.36Å; E2551-N2555 WeakPolarHBondContact O-CB 3.37Å; E2551-N2555 PolarHBondContact O-ND2 2.92Å; N2555-W2557 PolarHBondContact O-N 3.48Å; N2555-W2557 VanDerWaalsContact O-N 3.11Å; N2555-W2557 PolarHBondContact OD1-N 3.35Å; N2555-W2557 VanDerWaalsContact OD1-N 3.1Å; N2555-K2558 HydrophobicContact CB-CB 4.46Å; N2555-K2558 HydrophobicContact CB-CD 3.82Å; N2555-K2558 HydrophobicContact CB-CG 3.87Å; N2555-K2558 WeakPolarHBondContact O-CB 3.28Å; N2555-K2558 PolarHBondContact O-N 2.9Å; N2555-Y2559 WeakPolarHBondContact O-CD2 3.07Å | ||
| 2556 | M | 84.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -48.9 | -39.8 | -178 | -179 | -179.1 | 81.9 | 0 | 0 | 113.7 | F2243 F2258 F2530 H2554 K2558 Y2559 | F2243-M2556 HydrophobicContact CB-CE 4.23Å; F2243-M2556 HydrophobicContact CD2-CE 3.97Å; F2243-M2556 HydrophobicContact CD2-SD 4.41Å; F2258-M2556 HydrophobicContact CD1-CG 4.14Å; F2258-M2556 HydrophobicContact CD2-CG 4.35Å; F2258-M2556 HydrophobicContact CD2-SD 4.1Å; F2258-M2556 HydrophobicContact CE1-CG 3.46Å; F2258-M2556 VanDerWaalsContact CE1-CG 3.46Å; F2258-M2556 HydrophobicContact CE1-SD 4.41Å; F2258-M2556 HydrophobicContact CE2-CE 3.97Å; F2258-M2556 HydrophobicContact CE2-CG 3.74Å; F2258-M2556 HydrophobicContact CE2-SD 3.81Å; F2258-M2556 HydrophobicContact CZ-CE 4.31Å; F2258-M2556 HydrophobicContact CZ-CG 3.25Å; F2258-M2556 HydrophobicContact CZ-SD 3.98Å; F2530-M2556 HydrophobicContact CD1-CB 4.04Å; F2530-M2556 HydrophobicContact CD1-CG 3.58Å; F2530-M2556 HydrophobicContact CD1-SD 3.55Å; F2530-M2556 VanDerWaalsContact CD1-SD 3.55Å; F2530-M2556 HydrophobicContact CD2-SD 3.9Å; F2530-M2556 HydrophobicContact CE1-CG 3.68Å; F2530-M2556 HydrophobicContact CE1-SD 3.41Å; F2530-M2556 WeakPolarHBondContact CE1-SD 3.49Å; F2530-M2556 HydrophobicContact CE2-SD 3.76Å; F2530-M2556 HydrophobicContact CG-CB 4.45Å; F2530-M2556 HydrophobicContact CG-CG 4.25Å; F2530-M2556 HydrophobicContact CG-SD 3.79Å; F2530-M2556 HydrophobicContact CZ-CG 4.39Å; F2530-M2556 HydrophobicContact CZ-SD 3.52Å; F2530-M2556 VanDerWaalsContact CZ-SD 3.52Å; H2554-M2556 PolarHBondContact O-N 3.29Å; M2556-K2558 PolarHBondContact O-N 3.39Å; M2556-Y2559 PolarHBondContact O-N 3.25Å |
| 2557 | W | 87.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.1 | -28 | -176.4 | -58.8 | 110 | 0 | 0 | 0 | 113.2 | L2234 K2239 I2242 F2243 F2258 L2265 N2555 Y2559 F2560 Y2561 | L2234-W2557 HydrophobicContact CD2-CE3 4.25Å; L2234-W2557 HydrophobicContact CD2-CZ3 4.15Å; K2239-W2557 VanDerWaalsContact CA-CZ2 3.41Å; K2239-W2557 HydrophobicContact CB-CH2 3.69Å; K2239-W2557 HydrophobicContact CB-CZ2 3.36Å; K2239-W2557 HydrophobicContact CB-CZ3 4.38Å; K2239-W2557 HydrophobicContact CD-CD2 4.15Å; K2239-W2557 HydrophobicContact CD-CE3 4.46Å; K2239-W2557 HydrophobicContact CD-CZ2 4.4Å; K2239-W2557 HydrophobicContact CG-CD2 4.08Å; K2239-W2557 HydrophobicContact CG-CE3 4.06Å; K2239-W2557 HydrophobicContact CG-CH2 3.71Å; K2239-W2557 HydrophobicContact CG-CZ2 3.67Å; K2239-W2557 HydrophobicContact CG-CZ3 3.88Å; K2239-W2557 WeakPolarHBondContact O-CH2 3.47Å; K2239-W2557 WeakPolarHBondContact O-CZ2 3.43Å; I2242-W2557 HydrophobicContact CB-CH2 4.19Å; I2242-W2557 HydrophobicContact CG2-CH2 4.29Å; F2243-W2557 HydrophobicContact CB-CZ2 4.49Å; F2258-W2557 HydrophobicContact CE2-CZ3 4.34Å; L2265-W2557 HydrophobicContact CD1-CZ3 4.48Å; N2555-W2557 PolarHBondContact O-N 3.48Å; N2555-W2557 VanDerWaalsContact O-N 3.11Å; N2555-W2557 PolarHBondContact OD1-N 3.35Å; N2555-W2557 VanDerWaalsContact OD1-N 3.1Å; W2557-Y2559 VanDerWaalsContact C-N 3.29Å; W2557-Y2559 PolarHBondContact O-N 3.49Å; W2557-F2560 PolarHBondContact O-N 2.98Å; W2557-Y2561 HydrophobicContact CB-CE1 4.28Å; W2557-Y2561 HydrophobicContact CB-CE2 4.04Å; W2557-Y2561 VanDerWaalsContact O-CD1 3.29Å; W2557-Y2561 WeakPolarHBondContact O-CD1 3.33Å; W2557-Y2561 WeakPolarHBondContact O-CD2 3.42Å; W2557-Y2561 PolarHBondContact O-N 2.71Å |
| 2558 | K | 87.6 | Confident | 84.1 | Confident | 34 Ų | 34 | 34.5 Ų | 34.5 | 15% | 0.148 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -34.9 | 177.2 | -64.2 | -177.7 | -172.5 | 177.8 | 0 | 111.5 | A2209 H2210 I2211 F2225 K2552 N2555 M2556 Y2561 F2562 | A2209-K2558 HydrophobicContact CB-CB 4.36Å; A2209-K2558 HydrophobicContact CB-CD 4.02Å; A2209-K2558 HydrophobicContact CB-CG 4.02Å; H2210-K2558 WeakPolarHBondContact O-CD 3.42Å; I2211-K2558 HydrophobicContact CG2-CB 3.84Å; F2225-K2558 VanDerWaalsContact CZ-O 3.27Å; F2225-K2558 WeakPolarHBondContact CZ-O 3.32Å; K2552-K2558 PolarHBondContact O-NZ 2.93Å; N2555-K2558 HydrophobicContact CB-CB 4.46Å; N2555-K2558 HydrophobicContact CB-CD 3.82Å; N2555-K2558 HydrophobicContact CB-CG 3.87Å; N2555-K2558 WeakPolarHBondContact O-CB 3.28Å; N2555-K2558 PolarHBondContact O-N 2.9Å; M2556-K2558 PolarHBondContact O-N 3.39Å; K2558-Y2561 PolarHBondContact O-N 2.78Å; K2558-F2562 PolarHBondContact O-N 2.8Å |
| 2559 | Y | 88.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.8 | -71.4 | -97.2 | 0 | 0 | 0 | 112 | I2211 E2212 I2531 N2555 M2556 W2557 F2562 Y2563 W2592 F2593 | I2211-Y2559 HydrophobicContact CB-CD1 4.28Å; I2211-Y2559 HydrophobicContact CB-CE1 3.94Å; I2211-Y2559 HydrophobicContact CB-CE2 4.24Å; I2211-Y2559 HydrophobicContact CD1-CD1 4.34Å; I2211-Y2559 HydrophobicContact CD1-CE1 4.49Å; I2211-Y2559 HydrophobicContact CG2-CD1 4.09Å; I2211-Y2559 HydrophobicContact CG2-CD2 3.82Å; I2211-Y2559 HydrophobicContact CG2-CE1 4.16Å; I2211-Y2559 HydrophobicContact CG2-CE2 3.88Å; I2211-Y2559 HydrophobicContact CG2-CG 3.92Å; E2212-Y2559 PolarHBondContact N-OH 2.83Å; E2212-Y2559 WeakPolarHBondContact O-CE1 3.31Å; E2212-Y2559 PolarHBondContact O-OH 3.31Å; I2531-Y2559 HydrophobicContact CB-CE2 4.36Å; I2531-Y2559 HydrophobicContact CD1-CD2 3.54Å; I2531-Y2559 HydrophobicContact CD1-CE2 3.75Å; I2531-Y2559 HydrophobicContact CD1-CG 3.99Å; I2531-Y2559 HydrophobicContact CG1-CD2 3.93Å; I2531-Y2559 HydrophobicContact CG1-CE2 3.68Å; I2531-Y2559 HydrophobicContact CG2-CE1 4.31Å; I2531-Y2559 HydrophobicContact CG2-CE2 3.88Å; N2555-Y2559 WeakPolarHBondContact O-CD2 3.07Å; M2556-Y2559 PolarHBondContact O-N 3.25Å; W2557-Y2559 VanDerWaalsContact C-N 3.29Å; W2557-Y2559 PolarHBondContact O-N 3.49Å; Y2559-F2562 PolarHBondContact O-N 3.22Å; Y2559-Y2563 PolarHBondContact O-N 2.8Å; Y2559-Y2563 VanDerWaalsContact O-N 3.12Å; Y2559-W2592 HydrophobicContact CD1-CH2 4.13Å; Y2559-W2592 AromaticContact CD1-CZ3 3.83Å; Y2559-W2592 HydrophobicContact CD1-CZ3 3.83Å; Y2559-W2592 HydrophobicContact CE1-CZ3 4.22Å; Y2559-F2593 AromaticContact CD1-CD1 3.91Å; Y2559-F2593 HydrophobicContact CD1-CD1 3.91Å; Y2559-F2593 AromaticContact CD1-CE1 3.54Å; Y2559-F2593 HydrophobicContact CD1-CE1 3.54Å; Y2559-F2593 HydrophobicContact CD1-CZ 4.28Å; Y2559-F2593 HydrophobicContact CE1-CD1 4.08Å; Y2559-F2593 HydrophobicContact CE1-CE1 4.19Å; Y2559-F2593 AromaticContact CG-CE1 3.97Å; Y2559-F2593 HydrophobicContact CG-CE1 3.97Å |
| 2560 | F | 88 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 173.4 | 175 | -110.6 | 0 | 0 | 0 | 111.9 | L2234 F2258 F2262 L2265 I2269 W2557 F2562 Y2563 V2564 | L2234-F2560 HydrophobicContact CD2-CD1 4.18Å; L2234-F2560 HydrophobicContact CD2-CE1 3.88Å; F2258-F2560 HydrophobicContact CZ-CB 4.22Å; F2262-F2560 HydrophobicContact CB-CD2 4.2Å; F2262-F2560 HydrophobicContact CB-CE2 4.24Å; F2262-F2560 AromaticContact CD1-CD2 3.62Å; F2262-F2560 HydrophobicContact CD1-CD2 3.62Å; F2262-F2560 HydrophobicContact CD1-CE2 4.36Å; F2262-F2560 HydrophobicContact CD1-CG 4.48Å; F2262-F2560 HydrophobicContact CD2-CD2 4.25Å; F2262-F2560 HydrophobicContact CE1-CB 4.03Å; F2262-F2560 AromaticContact CE1-CD2 3.96Å; F2262-F2560 HydrophobicContact CE1-CD2 3.96Å; F2262-F2560 HydrophobicContact CE1-CG 4.43Å; F2262-F2560 AromaticContact CG-CD2 3.78Å; F2262-F2560 HydrophobicContact CG-CD2 3.78Å; F2262-F2560 HydrophobicContact CG-CE2 4.32Å; F2262-F2560 HydrophobicContact CZ-CB 4.1Å; F2262-F2560 HydrophobicContact CZ-CD2 4.4Å; L2265-F2560 HydrophobicContact CB-CD2 4.33Å; L2265-F2560 HydrophobicContact CB-CE1 4.1Å; L2265-F2560 HydrophobicContact CB-CE2 3.46Å; L2265-F2560 VanDerWaalsContact CB-CE2 3.46Å; L2265-F2560 HydrophobicContact CB-CZ 3.32Å; L2265-F2560 HydrophobicContact CD1-CD1 4.45Å; L2265-F2560 HydrophobicContact CD1-CD2 4Å; L2265-F2560 HydrophobicContact CD1-CE1 4.39Å; L2265-F2560 HydrophobicContact CD1-CE2 3.95Å; L2265-F2560 HydrophobicContact CD1-CG 4.26Å; L2265-F2560 HydrophobicContact CD1-CZ 4.17Å; L2265-F2560 HydrophobicContact CG-CE2 4.38Å; L2265-F2560 HydrophobicContact CG-CZ 4.36Å; I2269-F2560 HydrophobicContact CD1-CE1 3.61Å; I2269-F2560 HydrophobicContact CD1-CZ 3.78Å; W2557-F2560 PolarHBondContact O-N 2.98Å; F2560-F2562 VanDerWaalsContact C-N 3.27Å; F2560-F2562 PolarHBondContact O-N 3.48Å; F2560-Y2563 HydrophobicContact CD2-CD1 4.33Å; F2560-Y2563 HydrophobicContact CE2-CD1 4.14Å; F2560-Y2563 WeakPolarHBondContact O-CA 3.49Å; F2560-Y2563 WeakPolarHBondContact O-CB 3.48Å; F2560-Y2563 PolarHBondContact O-N 3.27Å; F2560-Y2563 VanDerWaalsContact O-N 3.08Å; F2560-V2564 HydrophobicContact CD1-CG2 4.27Å; F2560-V2564 HydrophobicContact CD2-CG2 4.45Å; F2560-V2564 HydrophobicContact CE1-CG2 3.72Å; F2560-V2564 HydrophobicContact CE2-CG2 3.92Å; F2560-V2564 HydrophobicContact CZ-CG2 3.5Å; F2560-V2564 WeakPolarHBondContact O-CG2 3.28Å; F2560-V2564 PolarHBondContact O-N 3.48Å |
| 2561 | Y | 88.5 | Confident | 82.4 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -36.3 | 175.9 | -58.9 | -20.3 | 0 | 0 | 0 | 112.3 | V2227 C2231 K2239 W2557 K2558 V2564 L2565 | V2227-Y2561 HydrophobicContact CG1-CD2 3.87Å; V2227-Y2561 HydrophobicContact CG1-CE2 4.41Å; V2227-Y2561 HydrophobicContact CG1-CG 4.15Å; V2227-Y2561 HydrophobicContact CG2-CD2 4.44Å; C2231-Y2561 HydrophobicContact CB-CD1 3.49Å; C2231-Y2561 VanDerWaalsContact CB-CD1 3.49Å; C2231-Y2561 HydrophobicContact CB-CE1 3.66Å; C2231-Y2561 HydrophobicContact CB-CG 4.09Å; C2231-Y2561 WeakPolarHBondContact SG-CD1 3.44Å; K2239-Y2561 PolarHBondContact NZ-OH 2.78Å; W2557-Y2561 HydrophobicContact CB-CE1 4.28Å; W2557-Y2561 HydrophobicContact CB-CE2 4.04Å; W2557-Y2561 VanDerWaalsContact O-CD1 3.29Å; W2557-Y2561 WeakPolarHBondContact O-CD1 3.33Å; W2557-Y2561 WeakPolarHBondContact O-CD2 3.42Å; W2557-Y2561 PolarHBondContact O-N 2.71Å; K2558-Y2561 PolarHBondContact O-N 2.78Å; Y2561-V2564 PolarHBondContact O-N 2.95Å; Y2561-L2565 PolarHBondContact O-N 3.49Å |
| 2562 | F | 88.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 172.2 | -171.4 | -112 | 0 | 0 | 0 | 112.2 | I2211 I2223 F2225 K2558 Y2559 F2560 L2565 L2566 E2578 V2581 | I2211-F2562 HydrophobicContact CD1-CB 3.8Å; I2211-F2562 HydrophobicContact CD1-CD1 3.43Å; I2211-F2562 VanDerWaalsContact CD1-CD1 3.43Å; I2211-F2562 HydrophobicContact CD1-CD2 4.12Å; I2211-F2562 HydrophobicContact CD1-CE1 3.97Å; I2211-F2562 HydrophobicContact CD1-CG 3.5Å; I2223-F2562 HydrophobicContact CD1-CE1 4.24Å; I2223-F2562 HydrophobicContact CD1-CE2 4.42Å; I2223-F2562 HydrophobicContact CD1-CZ 3.78Å; I2223-F2562 HydrophobicContact CG2-CD2 4.5Å; I2223-F2562 HydrophobicContact CG2-CE2 3.75Å; I2223-F2562 HydrophobicContact CG2-CZ 4.16Å; F2225-F2562 HydrophobicContact CB-CD2 4.26Å; F2225-F2562 HydrophobicContact CB-CE2 4.48Å; F2225-F2562 AromaticContact CD1-CD2 3.65Å; F2225-F2562 HydrophobicContact CD1-CD2 3.65Å; F2225-F2562 HydrophobicContact CD1-CE2 4.33Å; F2225-F2562 HydrophobicContact CD1-CG 4.46Å; F2225-F2562 HydrophobicContact CD2-CD2 4.06Å; F2225-F2562 HydrophobicContact CE1-CB 4.02Å; F2225-F2562 AromaticContact CE1-CD2 3.99Å; F2225-F2562 HydrophobicContact CE1-CD2 3.99Å; F2225-F2562 HydrophobicContact CE1-CG 4.36Å; F2225-F2562 HydrophobicContact CE2-CB 4.04Å; F2225-F2562 HydrophobicContact CE2-CD2 4.35Å; F2225-F2562 AromaticContact CG-CD2 3.72Å; F2225-F2562 HydrophobicContact CG-CD2 3.72Å; F2225-F2562 HydrophobicContact CG-CE2 4.37Å; F2225-F2562 HydrophobicContact CZ-CB 3.76Å; F2225-F2562 HydrophobicContact CZ-CD2 4.33Å; K2558-F2562 PolarHBondContact O-N 2.8Å; Y2559-F2562 PolarHBondContact O-N 3.22Å; F2560-F2562 VanDerWaalsContact C-N 3.27Å; F2560-F2562 PolarHBondContact O-N 3.48Å; F2562-L2565 HydrophobicContact CD2-CD2 4.31Å; F2562-L2565 HydrophobicContact CE2-CD2 4.48Å; F2562-L2565 WeakPolarHBondContact O-CB 3.31Å; F2562-L2565 PolarHBondContact O-N 3.24Å; F2562-L2566 HydrophobicContact CD1-CD1 4.09Å; F2562-L2566 HydrophobicContact CD1-CG 4.5Å; F2562-L2566 HydrophobicContact CE1-CD1 3.78Å; F2562-L2566 HydrophobicContact CE1-CG 4.24Å; F2562-L2566 HydrophobicContact CZ-CD1 4.38Å; F2562-L2566 HydrophobicContact CZ-CD2 4.4Å; F2562-L2566 HydrophobicContact CZ-CG 4.43Å; F2562-L2566 WeakPolarHBondContact O-CG 3.44Å; F2562-L2566 PolarHBondContact O-N 3.39Å; F2562-E2578 HydrophobicContact CE2-CG 3.74Å; F2562-E2578 HydrophobicContact CZ-CB 4.39Å; F2562-E2578 HydrophobicContact CZ-CG 3.57Å; F2562-V2581 HydrophobicContact CD1-CG1 4.37Å; F2562-V2581 HydrophobicContact CE1-CB 3.98Å; F2562-V2581 HydrophobicContact CE1-CG1 3.84Å; F2562-V2581 HydrophobicContact CE1-CG2 4.13Å |
| 2563 | Y | 86.7 | Confident | 81.2 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 11% | 0.114 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 172.5 | 173 | -94 | 0 | 0 | 0 | 112.5 | F2259 F2262 Y2559 F2560 L2565 L2566 K2567 I2585 | F2259-Y2563 HydrophobicContact CE2-CD2 4.33Å; F2259-Y2563 HydrophobicContact CZ-CD2 4.5Å; F2259-Y2563 HydrophobicContact CZ-CE2 4.43Å; F2262-Y2563 HydrophobicContact CB-CD1 3.81Å; F2262-Y2563 HydrophobicContact CB-CE1 3.73Å; F2262-Y2563 HydrophobicContact CB-CE2 4.48Å; F2262-Y2563 HydrophobicContact CB-CG 4.24Å; F2262-Y2563 AromaticContact CD2-CD1 3.87Å; F2262-Y2563 HydrophobicContact CD2-CD1 3.87Å; F2262-Y2563 AromaticContact CD2-CD2 3.76Å; F2262-Y2563 HydrophobicContact CD2-CD2 3.76Å; F2262-Y2563 HydrophobicContact CD2-CE1 4.48Å; F2262-Y2563 HydrophobicContact CD2-CE2 4.39Å; F2262-Y2563 AromaticContact CD2-CG 3.46Å; F2262-Y2563 HydrophobicContact CD2-CG 3.46Å; F2262-Y2563 VanDerWaalsContact CD2-CG 3.46Å; F2262-Y2563 HydrophobicContact CE2-CG 4.16Å; F2262-Y2563 HydrophobicContact CG-CD1 4.17Å; F2262-Y2563 HydrophobicContact CG-CG 4.22Å; Y2559-Y2563 PolarHBondContact O-N 2.8Å; Y2559-Y2563 VanDerWaalsContact O-N 3.12Å; F2560-Y2563 HydrophobicContact CD2-CD1 4.33Å; F2560-Y2563 HydrophobicContact CE2-CD1 4.14Å; F2560-Y2563 WeakPolarHBondContact O-CA 3.49Å; F2560-Y2563 WeakPolarHBondContact O-CB 3.48Å; F2560-Y2563 PolarHBondContact O-N 3.27Å; F2560-Y2563 VanDerWaalsContact O-N 3.08Å; Y2563-L2565 VanDerWaalsContact C-N 3.31Å; Y2563-L2565 PolarHBondContact O-N 2.95Å; Y2563-L2566 PolarHBondContact O-N 3.16Å; Y2563-K2567 HydrophobicContact CE1-CG 3.95Å; Y2563-K2567 HydrophobicContact CE2-CG 4.25Å; Y2563-K2567 PolarHBondContact O-N 2.96Å; Y2563-K2567 VanDerWaalsContact O-N 3.08Å; Y2563-K2567 VanDerWaalsContact OH-CE 3.23Å; Y2563-K2567 WeakPolarHBondContact OH-CE 3.23Å; Y2563-I2585 HydrophobicContact CD2-CD1 4.19Å |
| 2564 | V | 84.6 | Confident | 81 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 175 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | P2228 Y2266 I2269 F2560 Y2561 L2566 K2567 T2568 | P2228-V2564 HydrophobicContact CB-CG1 4.24Å; P2228-V2564 HydrophobicContact CG-CG1 4.27Å; Y2266-V2564 HydrophobicContact CD2-CG1 4.19Å; Y2266-V2564 HydrophobicContact CD2-CG2 4.21Å; Y2266-V2564 HydrophobicContact CE2-CG1 4.13Å; I2269-V2564 HydrophobicContact CD1-CG2 4.02Å; F2560-V2564 HydrophobicContact CD1-CG2 4.27Å; F2560-V2564 HydrophobicContact CD2-CG2 4.45Å; F2560-V2564 HydrophobicContact CE1-CG2 3.72Å; F2560-V2564 HydrophobicContact CE2-CG2 3.92Å; F2560-V2564 HydrophobicContact CZ-CG2 3.5Å; F2560-V2564 WeakPolarHBondContact O-CG2 3.28Å; F2560-V2564 PolarHBondContact O-N 3.48Å; Y2561-V2564 PolarHBondContact O-N 2.95Å; V2564-L2566 PolarHBondContact O-N 2.88Å; V2564-K2567 PolarHBondContact O-N 2.89Å; V2564-K2567 VanDerWaalsContact O-N 3.09Å; V2564-T2568 HydrophobicContact CG1-CG2 4.23Å; V2564-T2568 WeakPolarHBondContact O-CG2 3.49Å; V2564-T2568 PolarHBondContact O-N 2.92Å; V2564-T2568 PolarHBondContact O-OG1 3.47Å; V2564-T2568 VanDerWaalsContact O-OG1 3.07Å |
| 2565 | L | 84.9 | Confident | 80.5 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56 | -49.5 | 176.3 | 178.6 | 67.9 | 0 | 0 | 0 | 111.4 | F2225 P2228 Y2561 F2562 Y2563 K2567 T2568 K2569 | F2225-L2565 HydrophobicContact CB-CD2 3.71Å; F2225-L2565 HydrophobicContact CD2-CD2 3.89Å; F2225-L2565 HydrophobicContact CG-CD2 4.12Å; P2228-L2565 HydrophobicContact CG-CB 3.7Å; P2228-L2565 HydrophobicContact CG-CD1 4.05Å; P2228-L2565 HydrophobicContact CG-CG 4.49Å; Y2561-L2565 PolarHBondContact O-N 3.49Å; F2562-L2565 HydrophobicContact CD2-CD2 4.31Å; F2562-L2565 HydrophobicContact CE2-CD2 4.48Å; F2562-L2565 WeakPolarHBondContact O-CB 3.31Å; F2562-L2565 PolarHBondContact O-N 3.24Å; Y2563-L2565 VanDerWaalsContact C-N 3.31Å; Y2563-L2565 PolarHBondContact O-N 2.95Å; L2565-K2567 PolarHBondContact O-N 3.32Å; L2565-T2568 WeakPolarHBondContact CA-OG1 2.97Å; L2565-T2568 PolarHBondContact O-N 2.94Å; L2565-T2568 VanDerWaalsContact O-N 3.17Å; L2565-T2568 PolarHBondContact O-OG1 3.21Å; L2565-T2568 VanDerWaalsContact O-OG1 3.07Å; L2565-K2569 WeakPolarHBondContact O-CB 3.22Å; L2565-K2569 PolarHBondContact O-N 3.12Å |
| 2566 | L | 84 | Confident | 79.8 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -28.1 | 177.7 | -70.2 | 177.6 | 0 | 0 | 0 | 113.3 | F2562 Y2563 V2564 F2574 E2578 V2581 Y2582 I2585 | F2562-L2566 HydrophobicContact CD1-CD1 4.09Å; F2562-L2566 HydrophobicContact CD1-CG 4.5Å; F2562-L2566 HydrophobicContact CE1-CD1 3.78Å; F2562-L2566 HydrophobicContact CE1-CG 4.24Å; F2562-L2566 HydrophobicContact CZ-CD1 4.38Å; F2562-L2566 HydrophobicContact CZ-CD2 4.4Å; F2562-L2566 HydrophobicContact CZ-CG 4.43Å; F2562-L2566 WeakPolarHBondContact O-CG 3.44Å; F2562-L2566 PolarHBondContact O-N 3.39Å; Y2563-L2566 PolarHBondContact O-N 3.16Å; V2564-L2566 PolarHBondContact O-N 2.88Å; L2566-F2574 HydrophobicContact CD2-CD1 4.2Å; L2566-F2574 HydrophobicContact CD2-CE1 4.01Å; L2566-F2574 HydrophobicContact CD2-CZ 4.18Å; L2566-F2574 VanDerWaalsContact O-CZ 3.32Å; L2566-F2574 WeakPolarHBondContact O-CZ 3.27Å; L2566-E2578 HydrophobicContact CD2-CB 3.6Å; L2566-E2578 HydrophobicContact CD2-CG 3.81Å; L2566-V2581 HydrophobicContact CD1-CB 4.47Å; L2566-V2581 HydrophobicContact CD1-CG1 4.08Å; L2566-Y2582 HydrophobicContact CB-CD2 4.36Å; L2566-I2585 HydrophobicContact CD1-CD1 4.05Å |
| 2567 | K | 81.5 | Confident | 79.5 | Confident | 78 Ų | 78 | 32.9 Ų | 32.9 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -83.9 | -26.3 | 175.8 | -74.6 | -64.5 | -176.1 | -169.1 | 0 | 113.6 | Y2266 Y2563 V2564 L2565 | Y2266-K2567 HydrophobicContact CD2-CB 4.43Å; Y2266-K2567 HydrophobicContact CE2-CB 3.93Å; Y2563-K2567 HydrophobicContact CE1-CG 3.95Å; Y2563-K2567 HydrophobicContact CE2-CG 4.25Å; Y2563-K2567 PolarHBondContact O-N 2.96Å; Y2563-K2567 VanDerWaalsContact O-N 3.08Å; Y2563-K2567 VanDerWaalsContact OH-CE 3.23Å; Y2563-K2567 WeakPolarHBondContact OH-CE 3.23Å; V2564-K2567 PolarHBondContact O-N 2.89Å; V2564-K2567 VanDerWaalsContact O-N 3.09Å; L2565-K2567 PolarHBondContact O-N 3.32Å |
| 2568 | T | 74.6 | Confident | 79.3 | Confident | 75 Ų | 75 | 31.5 Ų | 31.5 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -90.2 | -27.1 | 178.4 | 53 | 0 | 0 | 0 | 0 | 113.6 | Y2266 V2564 L2565 | Y2266-T2568 HydrophobicContact CE2-CG2 4.27Å; V2564-T2568 HydrophobicContact CG1-CG2 4.23Å; V2564-T2568 WeakPolarHBondContact O-CG2 3.49Å; V2564-T2568 PolarHBondContact O-N 2.92Å; V2564-T2568 PolarHBondContact O-OG1 3.47Å; V2564-T2568 VanDerWaalsContact O-OG1 3.07Å; L2565-T2568 WeakPolarHBondContact CA-OG1 2.97Å; L2565-T2568 PolarHBondContact O-N 2.94Å; L2565-T2568 VanDerWaalsContact O-N 3.17Å; L2565-T2568 PolarHBondContact O-OG1 3.21Å; L2565-T2568 VanDerWaalsContact O-OG1 3.07Å |
| 2569 | K | 76.8 | Confident | 78.9 | Confident | 50 Ų | 50 | 31.2 Ų | 31.2 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -86.3 | 145.6 | -179.1 | -173.8 | 176.6 | 177.4 | -171.6 | 0 | 110.2 | L2565 E2573 F2574 E2578 | L2565-K2569 WeakPolarHBondContact O-CB 3.22Å; L2565-K2569 PolarHBondContact O-N 3.12Å; K2569-E2573 HydrophobicContact CD-CB 4.48Å; K2569-E2573 VanDerWaalsContact CE-C 3.47Å; K2569-E2573 VanDerWaalsContact CE-CB 3.42Å; K2569-E2573 WeakPolarHBondContact CE-O 3.42Å; K2569-E2573 HydrophobicContact CG-CB 4.21Å; K2569-E2573 PolarHBondContact NZ-O 3.49Å; K2569-F2574 HydrophobicContact CB-CE1 4.11Å; K2569-F2574 HydrophobicContact CD-CD1 4.18Å; K2569-F2574 HydrophobicContact CG-CD1 4.23Å; K2569-F2574 HydrophobicContact CG-CE1 4.26Å; K2569-E2578 IonicContact NZ-OE1 3.49Å; K2569-E2578 IonicContact NZ-OE2 2.78Å; K2569-E2578 PolarHBondContact NZ-OE2 3.44Å |
| 2570 | S | 68.3 | Low | 78.6 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | trans | -70 | 145.4 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | T2572 E2573 F2574 | S2570-T2572 PolarHBondContact O-N 3.23Å; S2570-T2572 PolarHBondContact OG-OG1 3.3Å; S2570-E2573 PolarHBondContact O-N 3.26Å; S2570-E2573 VanDerWaalsContact O-N 3.11Å; S2570-E2573 WeakPolarHBondContact OG-CG 3.23Å; S2570-F2574 VanDerWaalsContact O-CD1 3.26Å; S2570-F2574 WeakPolarHBondContact O-CD1 3.12Å; S2570-F2574 WeakPolarHBondContact O-CE1 3.41Å | ||
| 2571 | S | 67.3 | Low | 78.4 | Confident | 66 Ų | 66 | 33.4 Ų | 33.4 | 46% | 0.462 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -63.5 | -26.2 | -178.5 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | E2573 F2574 | S2571-E2573 VanDerWaalsContact C-N 3.28Å; S2571-E2573 PolarHBondContact O-N 3.43Å; S2571-F2574 WeakPolarHBondContact O-CB 3.42Å; S2571-F2574 WeakPolarHBondContact O-CG 3.34Å; S2571-F2574 PolarHBondContact O-N 3.44Å |
| 2572 | T | 64.1 | Low | 78.1 | Confident | 61 Ų | 61 | 34.9 Ų | 34.9 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -71.8 | -22.5 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | S2570 | S2570-T2572 PolarHBondContact O-N 3.23Å; S2570-T2572 PolarHBondContact OG-OG1 3.3Å |
| 2573 | E | 67.5 | Low | 77.7 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -93.8 | -0.7 | 178 | -70.1 | -167.8 | 141.5 | 0 | 0 | 113.2 | K2074 K2569 S2570 S2571 T2575 | K2074-E2573 IonicContact NZ-OE1 3.18Å; K2569-E2573 HydrophobicContact CD-CB 4.48Å; K2569-E2573 VanDerWaalsContact CE-C 3.47Å; K2569-E2573 VanDerWaalsContact CE-CB 3.42Å; K2569-E2573 WeakPolarHBondContact CE-O 3.42Å; K2569-E2573 HydrophobicContact CG-CB 4.21Å; K2569-E2573 PolarHBondContact NZ-O 3.49Å; S2570-E2573 PolarHBondContact O-N 3.26Å; S2570-E2573 VanDerWaalsContact O-N 3.11Å; S2570-E2573 WeakPolarHBondContact OG-CG 3.23Å; S2571-E2573 VanDerWaalsContact C-N 3.28Å; S2571-E2573 PolarHBondContact O-N 3.43Å; E2573-T2575 PolarHBondContact O-N 3.36Å |
| 2574 | F | 74.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | trans | -60.8 | 131.8 | -178.7 | -70.9 | -9.9 | 0 | 0 | 0 | 110.8 | H1961 Q2025 L2566 K2569 S2570 S2571 E2578 S2579 Y2582 | H1961-F2574 PolarHBondContact CE1-O 2.89Å; H1961-F2574 PolarHBondContact NE2-O 3.31Å; Q2025-F2574 PolarHBondContact NE2-O 3.42Å; L2566-F2574 HydrophobicContact CD2-CD1 4.2Å; L2566-F2574 HydrophobicContact CD2-CE1 4.01Å; L2566-F2574 HydrophobicContact CD2-CZ 4.18Å; L2566-F2574 VanDerWaalsContact O-CZ 3.32Å; L2566-F2574 WeakPolarHBondContact O-CZ 3.27Å; K2569-F2574 HydrophobicContact CB-CE1 4.11Å; K2569-F2574 HydrophobicContact CD-CD1 4.18Å; K2569-F2574 HydrophobicContact CG-CD1 4.23Å; K2569-F2574 HydrophobicContact CG-CE1 4.26Å; S2570-F2574 VanDerWaalsContact O-CD1 3.26Å; S2570-F2574 WeakPolarHBondContact O-CD1 3.12Å; S2570-F2574 WeakPolarHBondContact O-CE1 3.41Å; S2571-F2574 WeakPolarHBondContact O-CB 3.42Å; S2571-F2574 WeakPolarHBondContact O-CG 3.34Å; S2571-F2574 PolarHBondContact O-N 3.44Å; F2574-E2578 WeakPolarHBondContact CA-OE2 3.41Å; F2574-E2578 HydrophobicContact CB-CB 3.94Å; F2574-E2578 HydrophobicContact CG-CB 4.24Å; F2574-S2579 WeakPolarHBondContact CB-OG 3.21Å; F2574-Y2582 HydrophobicContact CD2-CG 4.18Å; F2574-Y2582 AromaticContact CE2-CD1 3.9Å; F2574-Y2582 HydrophobicContact CE2-CD1 3.9Å; F2574-Y2582 AromaticContact CE2-CD2 3.44Å; F2574-Y2582 HydrophobicContact CE2-CD2 3.44Å; F2574-Y2582 VanDerWaalsContact CE2-CD2 3.44Å; F2574-Y2582 HydrophobicContact CE2-CE1 4.39Å; F2574-Y2582 AromaticContact CE2-CE2 3.96Å; F2574-Y2582 HydrophobicContact CE2-CE2 3.96Å; F2574-Y2582 AromaticContact CE2-CG 3.41Å; F2574-Y2582 HydrophobicContact CE2-CG 3.41Å; F2574-Y2582 VanDerWaalsContact CE2-CG 3.41Å; F2574-Y2582 AromaticContact CZ-CD2 3.73Å; F2574-Y2582 HydrophobicContact CZ-CD2 3.73Å; F2574-Y2582 HydrophobicContact CZ-CE2 4.06Å; F2574-Y2582 HydrophobicContact CZ-CG 4.18Å | ||
| 2575 | T | 75.4 | Confident | 77.4 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | trans | -66.2 | 157.4 | 166.4 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | E2081 E2573 P2577 E2578 S2579 | E2081-T2575 WeakPolarHBondContact OE1-CA 3.39Å; E2081-T2575 WeakPolarHBondContact OE1-CB 3.1Å; E2573-T2575 PolarHBondContact O-N 3.36Å; T2575-P2577 VanDerWaalsContact C-CD 3.44Å; T2575-P2577 VanDerWaalsContact C-N 3.32Å; T2575-E2578 PolarHBondContact N-OE2 2.78Å; T2575-E2578 CarbonylContact O-C 3.56Å; T2575-E2578 WeakPolarHBondContact O-CA 3.43Å; T2575-E2578 WeakPolarHBondContact O-CB 3.28Å; T2575-E2578 PolarHBondContact O-N 2.92Å; T2575-E2578 WeakPolarHBondContact OG1-CB 3.43Å; T2575-E2578 WeakPolarHBondContact OG1-CG 3.38Å; T2575-E2578 PolarHBondContact OG1-N 2.87Å; T2575-E2578 PolarHBondContact OG1-OE2 3.27Å; T2575-S2579 PolarHBondContact O-N 3.04Å; T2575-S2579 PolarHBondContact O-OG 3.44Å | ||
| 2576 | G | 72.5 | Confident | 77 | Confident | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.1 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E2081 R2215 Y2580 | E2081-G2576 WeakPolarHBondContact OE1-CA 3.27Å; E2081-G2576 PolarHBondContact OE1-N 2.97Å; R2215-G2576 PolarHBondContact NH1-O 3.39Å; R2215-G2576 VanDerWaalsContact NH1-O 3.1Å; G2576-Y2580 WeakPolarHBondContact O-CB 3.18Å; G2576-Y2580 PolarHBondContact O-N 3.32Å |
| 2577 | P | 78.2 | Confident | 76.8 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 168.6 | -14.7 | 24.5 | 0 | 0 | 0 | 113.3 | E2081 I2213 R2215 E2221 I2223 T2575 Y2580 V2581 | E2081-P2577 HydrophobicContact CG-CG 4.39Å; E2081-P2577 WeakPolarHBondContact OE1-CD 3.39Å; I2213-P2577 HydrophobicContact CD1-CB 4.45Å; R2215-P2577 VanDerWaalsContact NH2-CG 3.27Å; E2221-P2577 VanDerWaalsContact OE1-CG 3.32Å; E2221-P2577 WeakPolarHBondContact OE1-CG 3.46Å; I2223-P2577 HydrophobicContact CD1-CB 3.49Å; I2223-P2577 VanDerWaalsContact CD1-CB 3.49Å; I2223-P2577 HydrophobicContact CG1-CB 3.74Å; T2575-P2577 VanDerWaalsContact C-CD 3.44Å; T2575-P2577 VanDerWaalsContact C-N 3.32Å; P2577-Y2580 PolarHBondContact O-N 3.4Å; P2577-V2581 WeakPolarHBondContact O-CG2 3.33Å; P2577-V2581 PolarHBondContact O-N 2.7Å |
| 2578 | E | 83.7 | Confident | 76.5 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 177 | -76.9 | 167.2 | 172.7 | 0 | 0 | 111.8 | F2562 L2566 K2569 F2574 T2575 Y2580 V2581 Y2582 | F2562-E2578 HydrophobicContact CE2-CG 3.74Å; F2562-E2578 HydrophobicContact CZ-CB 4.39Å; F2562-E2578 HydrophobicContact CZ-CG 3.57Å; L2566-E2578 HydrophobicContact CD2-CB 3.6Å; L2566-E2578 HydrophobicContact CD2-CG 3.81Å; K2569-E2578 IonicContact NZ-OE1 3.49Å; K2569-E2578 IonicContact NZ-OE2 2.78Å; K2569-E2578 PolarHBondContact NZ-OE2 3.44Å; F2574-E2578 WeakPolarHBondContact CA-OE2 3.41Å; F2574-E2578 HydrophobicContact CB-CB 3.94Å; F2574-E2578 HydrophobicContact CG-CB 4.24Å; T2575-E2578 PolarHBondContact N-OE2 2.78Å; T2575-E2578 CarbonylContact O-C 3.56Å; T2575-E2578 WeakPolarHBondContact O-CA 3.43Å; T2575-E2578 WeakPolarHBondContact O-CB 3.28Å; T2575-E2578 PolarHBondContact O-N 2.92Å; T2575-E2578 WeakPolarHBondContact OG1-CB 3.43Å; T2575-E2578 WeakPolarHBondContact OG1-CG 3.38Å; T2575-E2578 PolarHBondContact OG1-N 2.87Å; T2575-E2578 PolarHBondContact OG1-OE2 3.27Å; E2578-Y2580 VanDerWaalsContact C-N 3.32Å; E2578-Y2580 PolarHBondContact O-N 3.43Å; E2578-V2581 PolarHBondContact O-N 3.29Å; E2578-Y2582 VanDerWaalsContact O-CB 3.27Å; E2578-Y2582 WeakPolarHBondContact O-CB 3.07Å; E2578-Y2582 PolarHBondContact O-N 3.1Å |
| 2579 | S | 77.8 | Confident | 76.7 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.4 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | H1961 F2574 T2575 K2583 | H1961-S2579 PolarHBondContact CD2-OG 3.18Å; H1961-S2579 PolarHBondContact NE2-OG 3.38Å; F2574-S2579 WeakPolarHBondContact CB-OG 3.21Å; T2575-S2579 PolarHBondContact O-N 3.04Å; T2575-S2579 PolarHBondContact O-OG 3.44Å; S2579-K2583 VanDerWaalsContact O-CB 3.28Å; S2579-K2583 WeakPolarHBondContact O-CB 3.35Å; S2579-K2583 PolarHBondContact O-N 2.82Å |
| 2580 | Y | 81.9 | Confident | 76.8 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 18% | 0.18 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 174.9 | 169.5 | -100.4 | 0 | 0 | 0 | 111.9 | I2213 V2214 R2215 G2216 G2576 P2577 E2578 K2583 M2584 W2592 | I2213-Y2580 HydrophobicContact CD1-CD1 4.25Å; V2214-Y2580 WeakPolarHBondContact O-CE1 3.23Å; V2214-Y2580 PolarHBondContact O-OH 3.46Å; V2214-Y2580 VanDerWaalsContact O-OH 3.14Å; R2215-Y2580 VanDerWaalsContact C-OH 3.28Å; R2215-Y2580 WeakPolarHBondContact CA-OH 3.25Å; R2215-Y2580 HydrophobicContact CG-CE1 4.39Å; G2216-Y2580 PolarHBondContact N-OH 2.84Å; G2576-Y2580 WeakPolarHBondContact O-CB 3.18Å; G2576-Y2580 PolarHBondContact O-N 3.32Å; P2577-Y2580 PolarHBondContact O-N 3.4Å; E2578-Y2580 VanDerWaalsContact C-N 3.32Å; E2578-Y2580 PolarHBondContact O-N 3.43Å; Y2580-K2583 PolarHBondContact O-N 2.87Å; Y2580-M2584 HydrophobicContact CD1-CG 4.47Å; Y2580-M2584 HydrophobicContact CD2-CG 4.29Å; Y2580-M2584 HydrophobicContact CE1-CG 4.1Å; Y2580-M2584 HydrophobicContact CE2-CG 3.9Å; Y2580-M2584 HydrophobicContact CE2-SD 4.07Å; Y2580-M2584 WeakPolarHBondContact O-CG 3.3Å; Y2580-M2584 PolarHBondContact O-N 3.41Å; Y2580-W2592 HydrophobicContact CE1-CB 4.23Å |
| 2581 | V | 83.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | I2213 I2223 F2562 L2566 P2577 E2578 K2583 M2584 I2585 W2592 | I2213-V2581 HydrophobicContact CD1-CG2 3.94Å; I2213-V2581 HydrophobicContact CG2-CG2 4.2Å; I2223-V2581 HydrophobicContact CD1-CG2 4.4Å; F2562-V2581 HydrophobicContact CD1-CG1 4.37Å; F2562-V2581 HydrophobicContact CE1-CB 3.98Å; F2562-V2581 HydrophobicContact CE1-CG1 3.84Å; F2562-V2581 HydrophobicContact CE1-CG2 4.13Å; L2566-V2581 HydrophobicContact CD1-CB 4.47Å; L2566-V2581 HydrophobicContact CD1-CG1 4.08Å; P2577-V2581 WeakPolarHBondContact O-CG2 3.33Å; P2577-V2581 PolarHBondContact O-N 2.7Å; E2578-V2581 PolarHBondContact O-N 3.29Å; V2581-K2583 PolarHBondContact O-N 3.41Å; V2581-M2584 PolarHBondContact O-N 2.92Å; V2581-I2585 HydrophobicContact CG1-CD1 3.71Å; V2581-I2585 HydrophobicContact CG1-CG1 4.26Å; V2581-I2585 WeakPolarHBondContact O-CB 3.4Å; V2581-I2585 WeakPolarHBondContact O-CG1 3.38Å; V2581-I2585 PolarHBondContact O-N 3.4Å; V2581-W2592 HydrophobicContact CG1-CD2 3.85Å; V2581-W2592 HydrophobicContact CG1-CE3 3.96Å; V2581-W2592 HydrophobicContact CG1-CG 4.45Å; V2581-W2592 HydrophobicContact CG1-CH2 3.98Å; V2581-W2592 HydrophobicContact CG1-CZ2 3.86Å; V2581-W2592 HydrophobicContact CG1-CZ3 4.02Å; V2581-W2592 HydrophobicContact CG2-CD2 4.39Å; V2581-W2592 HydrophobicContact CG2-CE3 4.16Å |
| 2582 | Y | 82.5 | Confident | 78.2 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.8 | -172.9 | -90.6 | 0 | 0 | 0 | 111.8 | L2566 F2574 E2578 I2585 E2586 | L2566-Y2582 HydrophobicContact CB-CD2 4.36Å; F2574-Y2582 HydrophobicContact CD2-CG 4.18Å; F2574-Y2582 AromaticContact CE2-CD1 3.9Å; F2574-Y2582 HydrophobicContact CE2-CD1 3.9Å; F2574-Y2582 AromaticContact CE2-CD2 3.44Å; F2574-Y2582 HydrophobicContact CE2-CD2 3.44Å; F2574-Y2582 VanDerWaalsContact CE2-CD2 3.44Å; F2574-Y2582 HydrophobicContact CE2-CE1 4.39Å; F2574-Y2582 AromaticContact CE2-CE2 3.96Å; F2574-Y2582 HydrophobicContact CE2-CE2 3.96Å; F2574-Y2582 AromaticContact CE2-CG 3.41Å; F2574-Y2582 HydrophobicContact CE2-CG 3.41Å; F2574-Y2582 VanDerWaalsContact CE2-CG 3.41Å; F2574-Y2582 AromaticContact CZ-CD2 3.73Å; F2574-Y2582 HydrophobicContact CZ-CD2 3.73Å; F2574-Y2582 HydrophobicContact CZ-CE2 4.06Å; F2574-Y2582 HydrophobicContact CZ-CG 4.18Å; E2578-Y2582 VanDerWaalsContact O-CB 3.27Å; E2578-Y2582 WeakPolarHBondContact O-CB 3.07Å; E2578-Y2582 PolarHBondContact O-N 3.1Å; Y2582-I2585 WeakPolarHBondContact O-CB 3.27Å; Y2582-I2585 PolarHBondContact O-N 3.1Å; Y2582-E2586 HydrophobicContact CD1-CG 4.01Å; Y2582-E2586 HydrophobicContact CE1-CG 3.52Å; Y2582-E2586 PolarHBondContact O-N 2.71Å; Y2582-E2586 PolarHBondContact OH-OE1 2.89Å; Y2582-E2586 VanDerWaalsContact OH-OE1 3.12Å |
| 2583 | K | 80.6 | Confident | 79.3 | Confident | 125 Ų | 125 | 43.5 Ų | 43.5 | 54% | 0.543 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175 | -178 | 174.7 | 175.5 | 174.4 | 0 | 111.9 | S2579 Y2580 V2581 I2585 E2586 E2587 | S2579-K2583 VanDerWaalsContact O-CB 3.28Å; S2579-K2583 WeakPolarHBondContact O-CB 3.35Å; S2579-K2583 PolarHBondContact O-N 2.82Å; Y2580-K2583 PolarHBondContact O-N 2.87Å; V2581-K2583 PolarHBondContact O-N 3.41Å; K2583-I2585 VanDerWaalsContact C-N 3.26Å; K2583-I2585 PolarHBondContact O-N 3.08Å; K2583-E2586 PolarHBondContact O-N 2.85Å; K2583-E2587 WeakPolarHBondContact CE-OE1 3.39Å; K2583-E2587 HydrophobicContact CG-CG 4.5Å; K2583-E2587 IonicContact NZ-OE1 3.83Å; K2583-E2587 WeakPolarHBondContact O-CB 3.47Å; K2583-E2587 WeakPolarHBondContact O-CG 3.33Å; K2583-E2587 PolarHBondContact O-N 3.46Å |
| 2584 | M | 83.3 | Confident | 80 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -36.9 | 176 | -67.2 | -75.5 | -79.4 | 0 | 0 | 111.4 | Y2580 V2581 G2588 N2589 D2591 W2592 | Y2580-M2584 HydrophobicContact CD1-CG 4.47Å; Y2580-M2584 HydrophobicContact CD2-CG 4.29Å; Y2580-M2584 HydrophobicContact CE1-CG 4.1Å; Y2580-M2584 HydrophobicContact CE2-CG 3.9Å; Y2580-M2584 HydrophobicContact CE2-SD 4.07Å; Y2580-M2584 WeakPolarHBondContact O-CG 3.3Å; Y2580-M2584 PolarHBondContact O-N 3.41Å; V2581-M2584 PolarHBondContact O-N 2.92Å; M2584-G2588 PolarHBondContact O-N 3.31Å; M2584-N2589 HydrophobicContact CE-CB 4Å; M2584-N2589 WeakPolarHBondContact CE-ND2 3.23Å; M2584-N2589 WeakPolarHBondContact O-CA 3.37Å; M2584-N2589 PolarHBondContact O-N 2.74Å; M2584-N2589 HydrophobicContact SD-CB 4.13Å; M2584-D2591 HydrophobicContact CE-CB 4.26Å; M2584-W2592 HydrophobicContact CB-CG 4.46Å; M2584-W2592 HydrophobicContact CE-CB 4.34Å |
| 2585 | I | 82.4 | Confident | 80 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -47.4 | 175 | -73.8 | 169.3 | 0 | 0 | 0 | 111.6 | F2259 Y2563 L2566 V2581 Y2582 K2583 E2587 G2588 W2592 | F2259-I2585 HydrophobicContact CE1-CG2 4.43Å; F2259-I2585 HydrophobicContact CE2-CD1 4.06Å; F2259-I2585 HydrophobicContact CE2-CG1 3.84Å; F2259-I2585 HydrophobicContact CZ-CB 4.1Å; F2259-I2585 HydrophobicContact CZ-CD1 4.15Å; F2259-I2585 HydrophobicContact CZ-CG1 3.63Å; F2259-I2585 HydrophobicContact CZ-CG2 3.66Å; Y2563-I2585 HydrophobicContact CD2-CD1 4.19Å; L2566-I2585 HydrophobicContact CD1-CD1 4.05Å; V2581-I2585 HydrophobicContact CG1-CD1 3.71Å; V2581-I2585 HydrophobicContact CG1-CG1 4.26Å; V2581-I2585 WeakPolarHBondContact O-CB 3.4Å; V2581-I2585 WeakPolarHBondContact O-CG1 3.38Å; V2581-I2585 PolarHBondContact O-N 3.4Å; Y2582-I2585 WeakPolarHBondContact O-CB 3.27Å; Y2582-I2585 PolarHBondContact O-N 3.1Å; K2583-I2585 VanDerWaalsContact C-N 3.26Å; K2583-I2585 PolarHBondContact O-N 3.08Å; I2585-E2587 VanDerWaalsContact C-N 3.3Å; I2585-E2587 PolarHBondContact O-N 3.1Å; I2585-G2588 PolarHBondContact O-N 3.24Å; I2585-W2592 HydrophobicContact CD1-CZ2 4.23Å; I2585-W2592 HydrophobicContact CG1-CZ2 4.34Å |
| 2586 | E | 77.3 | Confident | 80 | Confident | 122 Ų | 122 | 47.1 Ų | 47.1 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.4 | -37 | 176.5 | -77.9 | -71.7 | 147.5 | 0 | 0 | 111.9 | Y2582 K2583 G2588 | Y2582-E2586 HydrophobicContact CD1-CG 4.01Å; Y2582-E2586 HydrophobicContact CE1-CG 3.52Å; Y2582-E2586 PolarHBondContact O-N 2.71Å; Y2582-E2586 PolarHBondContact OH-OE1 2.89Å; Y2582-E2586 VanDerWaalsContact OH-OE1 3.12Å; K2583-E2586 PolarHBondContact O-N 2.85Å; E2586-G2588 PolarHBondContact O-N 2.83Å |
| 2587 | E | 79.7 | Confident | 80.3 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.3 | 174.2 | -70.4 | 175.6 | -177.9 | 0 | 0 | 113.3 | K2583 I2585 N2589 | K2583-E2587 WeakPolarHBondContact CE-OE1 3.39Å; K2583-E2587 HydrophobicContact CG-CG 4.5Å; K2583-E2587 IonicContact NZ-OE1 3.83Å; K2583-E2587 WeakPolarHBondContact O-CB 3.47Å; K2583-E2587 WeakPolarHBondContact O-CG 3.33Å; K2583-E2587 PolarHBondContact O-N 3.46Å; I2585-E2587 VanDerWaalsContact C-N 3.3Å; I2585-E2587 PolarHBondContact O-N 3.1Å; E2587-N2589 HydrophobicContact CB-CB 4.46Å; E2587-N2589 PolarHBondContact O-N 3.47Å |
| 2588 | G | 73.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 16.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | M2584 I2585 E2586 | M2584-G2588 PolarHBondContact O-N 3.31Å; I2585-G2588 PolarHBondContact O-N 3.24Å; E2586-G2588 PolarHBondContact O-N 2.83Å |
| 2589 | N | 79.4 | Confident | 79.9 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -89.7 | 115.3 | -178.8 | -171.8 | -16.3 | 0 | 0 | 0 | 111.2 | M2584 E2587 D2591 | M2584-N2589 HydrophobicContact CE-CB 4Å; M2584-N2589 WeakPolarHBondContact CE-ND2 3.23Å; M2584-N2589 WeakPolarHBondContact O-CA 3.37Å; M2584-N2589 PolarHBondContact O-N 2.74Å; M2584-N2589 HydrophobicContact SD-CB 4.13Å; E2587-N2589 HydrophobicContact CB-CB 4.46Å; E2587-N2589 PolarHBondContact O-N 3.47Å; N2589-D2591 VanDerWaalsContact OD1-CB 3.22Å; N2589-D2591 WeakPolarHBondContact OD1-CB 3.37Å; N2589-D2591 VanDerWaalsContact OD1-CG 3.29Å; N2589-D2591 PolarHBondContact OD1-N 3.34Å | ||
| 2590 | L | 78.7 | Confident | 79.7 | Confident | 20 Ų | 20 | 54 Ų | 54 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | trans | -98.6 | 15.9 | -177.9 | -59.6 | 174.1 | 0 | 0 | 0 | 113.8 | P2256 F2259 W2592 F2593 R2595 | P2256-L2590 VanDerWaalsContact CA-CD1 3.48Å; P2256-L2590 HydrophobicContact CB-CD1 3.77Å; P2256-L2590 HydrophobicContact CG-CD1 3.79Å; F2259-L2590 HydrophobicContact CB-CD1 4.31Å; F2259-L2590 HydrophobicContact CB-CD2 3.95Å; F2259-L2590 HydrophobicContact CD1-CD2 3.62Å; F2259-L2590 HydrophobicContact CD2-CD2 3.82Å; F2259-L2590 HydrophobicContact CE1-CD2 4.08Å; F2259-L2590 HydrophobicContact CE2-CD2 4.27Å; F2259-L2590 HydrophobicContact CG-CD2 3.48Å; F2259-L2590 VanDerWaalsContact CG-CD2 3.48Å; F2259-L2590 HydrophobicContact CZ-CD2 4.39Å; L2590-W2592 PolarHBondContact O-N 2.79Å; L2590-F2593 HydrophobicContact CD2-CE2 4.26Å; L2590-F2593 PolarHBondContact O-N 2.94Å; L2590-R2595 PolarHBondContact O-NH2 3.2Å | ||
| 2591 | D | 80.2 | Confident | 79 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -7.8 | -178.4 | -70 | -14.1 | 0 | 0 | 0 | 113.6 | M2584 N2589 F2593 R2595 | M2584-D2591 HydrophobicContact CE-CB 4.26Å; N2589-D2591 VanDerWaalsContact OD1-CB 3.22Å; N2589-D2591 WeakPolarHBondContact OD1-CB 3.37Å; N2589-D2591 VanDerWaalsContact OD1-CG 3.29Å; N2589-D2591 PolarHBondContact OD1-N 3.34Å; D2591-F2593 PolarHBondContact O-N 2.82Å; D2591-R2595 IonicContact OD1-CZ 2.68Å; D2591-R2595 IonicContact OD1-NH1 3.59Å; D2591-R2595 PolarHBondContact OD1-NH1 3.32Å; D2591-R2595 IonicContact OD1-NH2 3.96Å; D2591-R2595 PolarHBondContact OD1-NH2 3.07Å |
| 2592 | W | 85.9 | Confident | 77.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.6 | 172 | 67.3 | -91.4 | 0 | 0 | 0 | 113.3 | I2211 I2213 V2214 F2259 Y2559 Y2580 V2581 M2584 I2585 L2590 | I2211-W2592 HydrophobicContact CD1-CZ3 4.39Å; I2213-W2592 CarbonylContact C-O 3.59Å; I2213-W2592 WeakPolarHBondContact CA-O 3.32Å; I2213-W2592 HydrophobicContact CB-CE3 4.4Å; I2213-W2592 HydrophobicContact CG2-CE3 3.77Å; I2213-W2592 HydrophobicContact CG2-CZ3 4.04Å; V2214-W2592 PolarHBondContact N-O 3.28Å; V2214-W2592 WeakPolarHBondContact O-CA 3.46Å; F2259-W2592 HydrophobicContact CE2-CZ2 4.33Å; Y2559-W2592 HydrophobicContact CD1-CH2 4.13Å; Y2559-W2592 AromaticContact CD1-CZ3 3.83Å; Y2559-W2592 HydrophobicContact CD1-CZ3 3.83Å; Y2559-W2592 HydrophobicContact CE1-CZ3 4.22Å; Y2580-W2592 HydrophobicContact CE1-CB 4.23Å; V2581-W2592 HydrophobicContact CG1-CD2 3.85Å; V2581-W2592 HydrophobicContact CG1-CE3 3.96Å; V2581-W2592 HydrophobicContact CG1-CG 4.45Å; V2581-W2592 HydrophobicContact CG1-CH2 3.98Å; V2581-W2592 HydrophobicContact CG1-CZ2 3.86Å; V2581-W2592 HydrophobicContact CG1-CZ3 4.02Å; V2581-W2592 HydrophobicContact CG2-CD2 4.39Å; V2581-W2592 HydrophobicContact CG2-CE3 4.16Å; M2584-W2592 HydrophobicContact CB-CG 4.46Å; M2584-W2592 HydrophobicContact CE-CB 4.34Å; I2585-W2592 HydrophobicContact CD1-CZ2 4.23Å; I2585-W2592 HydrophobicContact CG1-CZ2 4.34Å; L2590-W2592 PolarHBondContact O-N 2.79Å |
| 2593 | F | 85.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -71.8 | 137.8 | 171.6 | -79.3 | -98 | 0 | 0 | 0 | 111.3 | V2255 F2259 I2531 Y2559 L2590 D2591 R2595 | V2255-F2593 HydrophobicContact CG1-CB 4.17Å; V2255-F2593 HydrophobicContact CG1-CD1 3.81Å; V2255-F2593 HydrophobicContact CG1-CD2 3.58Å; V2255-F2593 HydrophobicContact CG1-CE1 4.02Å; V2255-F2593 HydrophobicContact CG1-CE2 3.77Å; V2255-F2593 HydrophobicContact CG1-CG 3.58Å; V2255-F2593 HydrophobicContact CG1-CZ 4Å; F2259-F2593 HydrophobicContact CD2-CE2 4.29Å; F2259-F2593 HydrophobicContact CD2-CZ 4.46Å; I2531-F2593 HydrophobicContact CD1-CD1 4.31Å; I2531-F2593 HydrophobicContact CD1-CE1 4.19Å; I2531-F2593 HydrophobicContact CG2-CD1 4.47Å; Y2559-F2593 AromaticContact CD1-CD1 3.91Å; Y2559-F2593 HydrophobicContact CD1-CD1 3.91Å; Y2559-F2593 AromaticContact CD1-CE1 3.54Å; Y2559-F2593 HydrophobicContact CD1-CE1 3.54Å; Y2559-F2593 HydrophobicContact CD1-CZ 4.28Å; Y2559-F2593 HydrophobicContact CE1-CD1 4.08Å; Y2559-F2593 HydrophobicContact CE1-CE1 4.19Å; Y2559-F2593 AromaticContact CG-CE1 3.97Å; Y2559-F2593 HydrophobicContact CG-CE1 3.97Å; L2590-F2593 HydrophobicContact CD2-CE2 4.26Å; L2590-F2593 PolarHBondContact O-N 2.94Å; D2591-F2593 PolarHBondContact O-N 2.82Å; F2593-R2595 PolarHBondContact O-N 3.48Å |
| 2594 | P | 82 | Confident | 74.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -75.2 | 94.4 | -179.5 | 30.6 | -33.7 | 0 | 0 | 0 | 111.5 | E2212 V2214 L2220 I2531 C2532 R2597 | E2212-P2594 HydrophobicContact CB-CG 4.14Å; E2212-P2594 VanDerWaalsContact O-CD 3.32Å; E2212-P2594 WeakPolarHBondContact O-CD 3.38Å; E2212-P2594 WeakPolarHBondContact O-CG 3.39Å; V2214-P2594 HydrophobicContact CG2-CB 4.03Å; L2220-P2594 HydrophobicContact CD2-CB 3.65Å; I2531-P2594 HydrophobicContact CG2-CG 3.74Å; C2532-P2594 WeakPolarHBondContact CA-O 3.33Å; C2532-P2594 VanDerWaalsContact CB-O 3.28Å; C2532-P2594 WeakPolarHBondContact CB-O 2.92Å; P2594-R2597 HydrophobicContact CB-CG 4.39Å | ||
| 2595 | R | 75.9 | Confident | 72.2 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | trans | -88.2 | 127.9 | 177.1 | -58.9 | -174.9 | -166.5 | 155.9 | 18.1 | 112.1 | L2590 D2591 F2593 R2597 | L2590-R2595 PolarHBondContact O-NH2 3.2Å; D2591-R2595 IonicContact OD1-CZ 2.68Å; D2591-R2595 IonicContact OD1-NH1 3.59Å; D2591-R2595 PolarHBondContact OD1-NH1 3.32Å; D2591-R2595 IonicContact OD1-NH2 3.96Å; D2591-R2595 PolarHBondContact OD1-NH2 3.07Å; F2593-R2595 PolarHBondContact O-N 3.48Å; R2595-R2597 WeakPolarHBondContact O-CG 3.26Å; R2595-R2597 PolarHBondContact O-N 2.86Å; R2595-R2597 PolarHBondContact O-NE 3.37Å | ||
| 2596 | M | 75.4 | Confident | 70.2 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 58.4 | 23.6 | 179.3 | -66.1 | -65.3 | -97.3 | 0 | 0 | 115.6 | Q2251 C2532 L2534 | Q2251-M2596 PolarHBondContact NE2-SD 3.13Å; C2532-M2596 WeakPolarHBondContact O-CA 3.44Å; C2532-M2596 PolarHBondContact O-N 3.26Å; L2534-M2596 HydrophobicContact CD2-SD 4.18Å |
| 2597 | R | 78.4 | Confident | 68.4 | Low | 72 Ų | 72 | 71.4 Ų | 71.4 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | trans | -154.6 | 152.7 | -175.5 | 58.7 | -166.2 | 140.7 | 162.8 | 1.1 | 111.4 | R2218 L2220 H2554 P2594 R2595 | R2218-R2597 PolarHBondContact O-NH1 2.8Å; L2220-R2597 HydrophobicContact CD1-CB 4.19Å; L2220-R2597 HydrophobicContact CD1-CG 4.1Å; L2220-R2597 HydrophobicContact CD2-CG 4.23Å; L2220-R2597 HydrophobicContact CG-CG 4.42Å; H2554-R2597 PolarHBondContact CE1-O 2.87Å; P2594-R2597 HydrophobicContact CB-CG 4.39Å; R2595-R2597 WeakPolarHBondContact O-CG 3.26Å; R2595-R2597 PolarHBondContact O-N 2.86Å; R2595-R2597 PolarHBondContact O-NE 3.37Å | ||
| 2598 | T | 80.6 | Confident | 66.5 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -151.9 | 148 | 172.2 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | E2212 L2534 F2539 K2600 L2601 V2602 | E2212-T2598 PolarHBondContact OE1-OG1 2.85Å; E2212-T2598 WeakPolarHBondContact OE2-CA 3.38Å; E2212-T2598 WeakPolarHBondContact OE2-CB 3.49Å; E2212-T2598 PolarHBondContact OE2-OG1 2.84Å; E2212-T2598 VanDerWaalsContact OE2-OG1 3.09Å; L2534-T2598 HydrophobicContact CD1-CG2 3.98Å; F2539-T2598 HydrophobicContact CZ-CG2 4.36Å; T2598-K2600 VanDerWaalsContact C-N 3.26Å; T2598-K2600 PolarHBondContact O-N 3.05Å; T2598-L2601 HydrophobicContact CG2-CB 3.97Å; T2598-L2601 HydrophobicContact CG2-CD1 3.54Å; T2598-L2601 HydrophobicContact CG2-CG 3.5Å; T2598-L2601 VanDerWaalsContact CG2-CG 3.5Å; T2598-L2601 PolarHBondContact O-N 3.09Å; T2598-L2601 VanDerWaalsContact O-N 3.15Å; T2598-V2602 WeakPolarHBondContact O-CG2 3.38Å; T2598-V2602 PolarHBondContact O-N 2.87Å | ||
| 2599 | M | 73.9 | Confident | 64.9 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -35.9 | -174.4 | -74.5 | -171.7 | 59.7 | 0 | 0 | 112.8 | E2212 L2220 Q2222 L2601 V2602 M2603 | E2212-M2599 HydrophobicContact CG-CG 4.4Å; E2212-M2599 WeakPolarHBondContact OE1-CB 3.48Å; E2212-M2599 PolarHBondContact OE1-N 3.21Å; E2212-M2599 PolarHBondContact OE2-N 3.43Å; E2212-M2599 VanDerWaalsContact OE2-N 3.16Å; L2220-M2599 HydrophobicContact CB-CG 3.57Å; L2220-M2599 HydrophobicContact CB-SD 4.36Å; L2220-M2599 HydrophobicContact CD1-CG 4.05Å; L2220-M2599 HydrophobicContact CG-CG 4.37Å; Q2222-M2599 HydrophobicContact CB-SD 3.84Å; M2599-L2601 PolarHBondContact O-N 2.86Å; M2599-V2602 PolarHBondContact O-N 2.93Å; M2599-M2603 HydrophobicContact CE-CE 3.99Å; M2599-M2603 WeakPolarHBondContact O-CG 3.45Å; M2599-M2603 PolarHBondContact O-N 2.89Å |
| 2600 | K | 72 | Confident | 63.2 | Low | 87 Ų | 87 | 75.9 Ų | 75.9 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.2 | -22.4 | -178.8 | -69.1 | -164.7 | -172 | 156.9 | 0 | 114 | V2544 D2553 T2598 | V2544-K2600 HydrophobicContact CB-CD 4.39Å; V2544-K2600 HydrophobicContact CG1-CD 3.95Å; V2544-K2600 HydrophobicContact CG2-CB 4.2Å; V2544-K2600 HydrophobicContact CG2-CD 3.57Å; V2544-K2600 HydrophobicContact CG2-CG 4.49Å; D2553-K2600 VanDerWaalsContact CG-CE 3.45Å; D2553-K2600 WeakPolarHBondContact OD1-CE 3.37Å; D2553-K2600 IonicContact OD1-NZ 3.4Å; D2553-K2600 PolarHBondContact OD1-NZ 3.33Å; D2553-K2600 VanDerWaalsContact OD2-CD 3.27Å; D2553-K2600 WeakPolarHBondContact OD2-CD 3.39Å; D2553-K2600 WeakPolarHBondContact OD2-CE 3.43Å; D2553-K2600 IonicContact OD2-NZ 3.47Å; D2553-K2600 PolarHBondContact OD2-NZ 2.68Å; T2598-K2600 VanDerWaalsContact C-N 3.26Å; T2598-K2600 PolarHBondContact O-N 3.05Å |
| 2601 | L | 67.6 | Low | 61.6 | Low | 19 Ų | 19 | 81.7 Ų | 81.7 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -88.5 | -34.9 | 174.9 | -63.8 | 179.5 | 0 | 0 | 0 | 112 | L2534 V2538 F2539 K2542 T2598 M2599 M2603 | L2534-L2601 HydrophobicContact CD1-CD1 3.49Å; L2534-L2601 VanDerWaalsContact CD1-CD1 3.49Å; V2538-L2601 HydrophobicContact CG1-CD1 3.93Å; F2539-L2601 HydrophobicContact CE1-CD1 4.29Å; F2539-L2601 HydrophobicContact CE1-CD2 4.36Å; F2539-L2601 HydrophobicContact CE1-CG 4.41Å; F2539-L2601 HydrophobicContact CZ-CD1 4.14Å; K2542-L2601 HydrophobicContact CB-CD2 4.39Å; K2542-L2601 HydrophobicContact CD-CD2 3.42Å; K2542-L2601 VanDerWaalsContact CD-CD2 3.42Å; K2542-L2601 HydrophobicContact CG-CD2 3.95Å; T2598-L2601 HydrophobicContact CG2-CB 3.97Å; T2598-L2601 HydrophobicContact CG2-CD1 3.54Å; T2598-L2601 HydrophobicContact CG2-CG 3.5Å; T2598-L2601 VanDerWaalsContact CG2-CG 3.5Å; T2598-L2601 PolarHBondContact O-N 3.09Å; T2598-L2601 VanDerWaalsContact O-N 3.15Å; M2599-L2601 PolarHBondContact O-N 2.86Å; L2601-M2603 VanDerWaalsContact C-N 3.32Å; L2601-M2603 PolarHBondContact O-N 3.38Å |
| 2602 | V | 58.8 | Low | 59.9 | Low | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.8 | -23.5 | -174.7 | 174 | 0 | 0 | 0 | 0 | 113 | L2220 T2598 M2599 R2604 D2605 | L2220-V2602 HydrophobicContact CD1-CG2 4.09Å; T2598-V2602 WeakPolarHBondContact O-CG2 3.38Å; T2598-V2602 PolarHBondContact O-N 2.87Å; M2599-V2602 PolarHBondContact O-N 2.93Å; V2602-R2604 PolarHBondContact O-N 3.45Å; V2602-D2605 PolarHBondContact O-N 3.09Å |
| 2603 | M | 49.1 | Very low | 58.1 | Low | 149 Ų | 149 | 89.2 Ų | 89.2 | 73% | 0.734 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 9.3 | -175.1 | -73.4 | -76.7 | 162.7 | 0 | 0 | 116.1 | M2599 L2601 | M2599-M2603 HydrophobicContact CE-CE 3.99Å; M2599-M2603 WeakPolarHBondContact O-CG 3.45Å; M2599-M2603 PolarHBondContact O-N 2.89Å; L2601-M2603 VanDerWaalsContact C-N 3.32Å; L2601-M2603 PolarHBondContact O-N 3.38Å |
| 2604 | R | 41.9 | Very low | 56.5 | Low | 220 Ų | 220 | 94.1 Ų | 94.1 | 83% | 0.83 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | -9.7 | 173.1 | -106 | -178.8 | 179.9 | 173.7 | -0.5 | 116.6 | V2602 S2606 | V2602-R2604 PolarHBondContact O-N 3.45Å; R2604-S2606 PolarHBondContact O-N 3.01Å |
| 2605 | D | 38 | Very low | 55.3 | Low | 74 Ų | 74 | 97.8 Ų | 97.8 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | trans | -102.5 | 62.5 | -175.8 | -59.3 | -31.8 | 0 | 0 | 0 | 109.7 | V2602 E2607 | V2602-D2605 PolarHBondContact O-N 3.09Å; D2605-E2607 PolarHBondContact O-N 3.14Å | ||
| 2606 | S | 41 | Very low | 54.1 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.8 | -23.6 | 178.2 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | R2604 T2610 | R2604-S2606 PolarHBondContact O-N 3.01Å; S2606-T2610 PolarHBondContact O-N 3.49Å; S2606-T2610 PolarHBondContact O-OG1 2.74Å |
| 2607 | E | 37.7 | Very low | 53.1 | Low | 160 Ų | 160 | 96.6 Ų | 96.6 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.6 | -44.7 | -178.3 | -67.4 | -175.1 | 164.8 | 0 | 0 | 112.6 | D2605 Q2609 T2610 E2611 | D2605-E2607 PolarHBondContact O-N 3.14Å; E2607-Q2609 VanDerWaalsContact C-N 3.32Å; E2607-Q2609 PolarHBondContact O-N 2.84Å; E2607-T2610 WeakPolarHBondContact O-CB 3.35Å; E2607-T2610 PolarHBondContact O-N 2.82Å; E2607-T2610 PolarHBondContact O-OG1 3.3Å; E2607-E2611 PolarHBondContact O-N 3.02Å |
| 2608 | E | 40.4 | Very low | 52.7 | Low | 134 Ų | 134 | 98.7 Ų | 98.7 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67 | -31.2 | 177.5 | -72 | -169.1 | 171.9 | 0 | 0 | 112.8 | T2610 E2611 M2612 | E2608-T2610 PolarHBondContact O-N 3.42Å; E2608-E2611 PolarHBondContact O-N 2.87Å; E2608-M2612 WeakPolarHBondContact O-CB 3.32Å; E2608-M2612 PolarHBondContact O-N 3.46Å |
| 2609 | Q | 41.7 | Very low | 51.8 | Low | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -30.1 | 170.8 | -87.7 | -164.6 | -8.3 | 0 | 0 | 112.8 | E2607 K2613 | E2607-Q2609 VanDerWaalsContact C-N 3.32Å; E2607-Q2609 PolarHBondContact O-N 2.84Å; Q2609-K2613 VanDerWaalsContact O-CB 3.28Å; Q2609-K2613 WeakPolarHBondContact O-CB 3.2Å; Q2609-K2613 WeakPolarHBondContact O-CG 3.18Å; Q2609-K2613 PolarHBondContact O-N 2.94Å |
| 2610 | T | 43.5 | Very low | 51.1 | Low | 86 Ų | 86 | 103 Ų | 103 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.2 | -41.1 | 179.3 | -25.2 | 0 | 0 | 0 | 0 | 109.8 | S2606 E2607 E2608 K2613 L2614 | S2606-T2610 PolarHBondContact O-N 3.49Å; S2606-T2610 PolarHBondContact O-OG1 2.74Å; E2607-T2610 WeakPolarHBondContact O-CB 3.35Å; E2607-T2610 PolarHBondContact O-N 2.82Å; E2607-T2610 PolarHBondContact O-OG1 3.3Å; E2608-T2610 PolarHBondContact O-N 3.42Å; T2610-K2613 PolarHBondContact O-N 2.86Å; T2610-L2614 WeakPolarHBondContact O-CB 3.18Å; T2610-L2614 PolarHBondContact O-N 2.91Å |
| 2611 | E | 44.1 | Very low | 51.1 | Low | 143 Ų | 143 | 104.6 Ų | 104.6 | 67% | 0.668 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 173.8 | -69.7 | -168.4 | 159.3 | 0 | 0 | 112.4 | E2607 E2608 K2613 L2614 V2615 | E2607-E2611 PolarHBondContact O-N 3.02Å; E2608-E2611 PolarHBondContact O-N 2.87Å; E2611-K2613 VanDerWaalsContact C-N 3.34Å; E2611-K2613 PolarHBondContact O-N 3.23Å; E2611-L2614 WeakPolarHBondContact O-CB 3.47Å; E2611-L2614 PolarHBondContact O-N 3.42Å; E2611-L2614 VanDerWaalsContact O-N 3.16Å; E2611-V2615 WeakPolarHBondContact O-CG2 3.18Å; E2611-V2615 PolarHBondContact O-N 2.87Å |
| 2612 | M | 44 | Very low | 51.5 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 177.2 | -162.1 | 86.2 | 74.1 | 0 | 0 | 111.7 | E2608 V2615 Q2616 | E2608-M2612 WeakPolarHBondContact O-CB 3.32Å; E2608-M2612 PolarHBondContact O-N 3.46Å; M2612-V2615 PolarHBondContact O-N 3.14Å; M2612-Q2616 WeakPolarHBondContact O-CB 3.12Å; M2612-Q2616 VanDerWaalsContact O-CG 3.29Å; M2612-Q2616 WeakPolarHBondContact O-CG 3.31Å; M2612-Q2616 PolarHBondContact O-N 3.27Å |
| 2613 | K | 47.8 | Very low | 51.7 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 58% | 0.578 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63 | -41.4 | 171.7 | -88.5 | -177.8 | 174.5 | 176.5 | 0 | 111.9 | Q2609 T2610 E2611 Q2616 Q2617 | Q2609-K2613 VanDerWaalsContact O-CB 3.28Å; Q2609-K2613 WeakPolarHBondContact O-CB 3.2Å; Q2609-K2613 WeakPolarHBondContact O-CG 3.18Å; Q2609-K2613 PolarHBondContact O-N 2.94Å; T2610-K2613 PolarHBondContact O-N 2.86Å; E2611-K2613 VanDerWaalsContact C-N 3.34Å; E2611-K2613 PolarHBondContact O-N 3.23Å; K2613-Q2616 PolarHBondContact O-N 2.02Å; K2613-Q2617 PolarHBondContact O-N 3.28Å |
| 2614 | L | 53 | Low | 52.8 | Low | 105 Ų | 105 | 115.5 Ų | 115.5 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -45.4 | 178.3 | -148.7 | 112.1 | 0 | 0 | 0 | 110.7 | T2610 E2611 Q2616 Q2617 M2618 | T2610-L2614 WeakPolarHBondContact O-CB 3.18Å; T2610-L2614 PolarHBondContact O-N 2.91Å; E2611-L2614 WeakPolarHBondContact O-CB 3.47Å; E2611-L2614 PolarHBondContact O-N 3.42Å; E2611-L2614 VanDerWaalsContact O-N 3.16Å; L2614-Q2616 VanDerWaalsContact C-N 3.32Å; L2614-Q2616 PolarHBondContact O-N 3.32Å; L2614-Q2617 PolarHBondContact O-N 2.8Å; L2614-M2618 WeakPolarHBondContact O-CG 3.46Å; L2614-M2618 PolarHBondContact O-N 2.9Å |
| 2615 | V | 56.3 | Low | 54.4 | Low | 77 Ų | 77 | 110.7 Ų | 110.7 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | E2611 M2612 M2618 I2619 | E2611-V2615 WeakPolarHBondContact O-CG2 3.18Å; E2611-V2615 PolarHBondContact O-N 2.87Å; M2612-V2615 PolarHBondContact O-N 3.14Å; V2615-M2618 PolarHBondContact O-N 2.89Å; V2615-I2619 HydrophobicContact CG1-CD1 3.96Å; V2615-I2619 VanDerWaalsContact O-CG1 3.28Å; V2615-I2619 WeakPolarHBondContact O-CG1 3.34Å; V2615-I2619 PolarHBondContact O-N 3Å |
| 2616 | Q | 50.1 | Low | 56 | Low | 53 Ų | 53 | 112.6 Ų | 112.6 | 25% | 0.248 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -70 | -38.7 | 175.4 | -79.4 | 179.4 | -54.6 | 0 | 0 | 113.2 | M2612 K2613 L2614 M2618 I2619 A2620 | M2612-Q2616 WeakPolarHBondContact O-CB 3.12Å; M2612-Q2616 VanDerWaalsContact O-CG 3.29Å; M2612-Q2616 WeakPolarHBondContact O-CG 3.31Å; M2612-Q2616 PolarHBondContact O-N 3.27Å; K2613-Q2616 PolarHBondContact O-N 2.02Å; L2614-Q2616 VanDerWaalsContact C-N 3.32Å; L2614-Q2616 PolarHBondContact O-N 3.32Å; Q2616-M2618 VanDerWaalsContact C-N 3.28Å; Q2616-I2619 PolarHBondContact O-N 3.16Å; Q2616-A2620 VanDerWaalsContact O-CB 3.31Å; Q2616-A2620 WeakPolarHBondContact O-CB 3.41Å; Q2616-A2620 PolarHBondContact O-N 3.38Å |
| 2617 | Q | 56.4 | Low | 57.4 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 60% | 0.598 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59 | -44.8 | 170.9 | -101.9 | -177.7 | -29.5 | 0 | 0 | 110 | K2613 L2614 I2619 A2620 E2621 | K2613-Q2617 PolarHBondContact O-N 3.28Å; L2614-Q2617 PolarHBondContact O-N 2.8Å; Q2617-I2619 PolarHBondContact O-N 3.15Å; Q2617-A2620 PolarHBondContact O-N 3.03Å; Q2617-E2621 WeakPolarHBondContact O-CB 3.48Å; Q2617-E2621 WeakPolarHBondContact O-CG 3.15Å; Q2617-E2621 PolarHBondContact O-N 2.71Å |
| 2618 | M | 68.3 | Low | 59.2 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 57% | 0.571 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 174.9 | -68.4 | -179.4 | 75.5 | 0 | 0 | 112.6 | L2614 V2615 Q2616 R2622 | L2614-M2618 WeakPolarHBondContact O-CG 3.46Å; L2614-M2618 PolarHBondContact O-N 2.9Å; V2615-M2618 PolarHBondContact O-N 2.89Å; Q2616-M2618 VanDerWaalsContact C-N 3.28Å; M2618-R2622 VanDerWaalsContact O-CB 3.31Å; M2618-R2622 WeakPolarHBondContact O-CB 3.33Å; M2618-R2622 PolarHBondContact O-N 3Å |
| 2619 | I | 61.5 | Low | 60.7 | Low | 82 Ų | 82 | 107.3 Ų | 107.3 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 177 | -70.1 | 166.6 | 0 | 0 | 0 | 111.3 | V2615 Q2616 Q2617 R2622 Q2623 | V2615-I2619 HydrophobicContact CG1-CD1 3.96Å; V2615-I2619 VanDerWaalsContact O-CG1 3.28Å; V2615-I2619 WeakPolarHBondContact O-CG1 3.34Å; V2615-I2619 PolarHBondContact O-N 3Å; Q2616-I2619 PolarHBondContact O-N 3.16Å; Q2617-I2619 PolarHBondContact O-N 3.15Å; I2619-R2622 CarbonylContact O-C 3.55Å; I2619-R2622 PolarHBondContact O-N 2.94Å; I2619-Q2623 HydrophobicContact CG2-CG 4.46Å; I2619-Q2623 WeakPolarHBondContact O-CB 3.4Å; I2619-Q2623 WeakPolarHBondContact O-CG 3.37Å; I2619-Q2623 PolarHBondContact O-N 2.89Å |
| 2620 | A | 60.1 | Low | 62.1 | Low | 49 Ų | 49 | 104.8 Ų | 104.8 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q2616 Q2617 R2622 Q2623 E2624 | Q2616-A2620 VanDerWaalsContact O-CB 3.31Å; Q2616-A2620 WeakPolarHBondContact O-CB 3.41Å; Q2616-A2620 PolarHBondContact O-N 3.38Å; Q2617-A2620 PolarHBondContact O-N 3.03Å; A2620-R2622 VanDerWaalsContact C-N 3.29Å; A2620-R2622 PolarHBondContact O-N 2.87Å; A2620-Q2623 PolarHBondContact O-N 3.39Å; A2620-Q2623 VanDerWaalsContact O-N 3.15Å; A2620-E2624 PolarHBondContact O-N 2.82Å |
| 2621 | E | 72.4 | Confident | 63.3 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.6 | -42.9 | 171 | -75.9 | 177.9 | 171.5 | 0 | 0 | 110.7 | Q2617 Q2623 E2624 E2625 | Q2617-E2621 WeakPolarHBondContact O-CB 3.48Å; Q2617-E2621 WeakPolarHBondContact O-CG 3.15Å; Q2617-E2621 PolarHBondContact O-N 2.71Å; E2621-Q2623 PolarHBondContact O-N 3.3Å; E2621-E2624 PolarHBondContact O-N 3.47Å; E2621-E2625 WeakPolarHBondContact O-CG 3.37Å; E2621-E2625 PolarHBondContact O-N 2.98Å |
| 2622 | R | 74.9 | Confident | 64.7 | Low | 177 Ų | 177 | 102.5 Ų | 102.5 | 67% | 0.668 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -35.1 | 176.1 | -144.7 | 80.6 | 178 | -170.6 | 4.2 | 113.2 | M2618 I2619 A2620 E2625 L2626 | M2618-R2622 VanDerWaalsContact O-CB 3.31Å; M2618-R2622 WeakPolarHBondContact O-CB 3.33Å; M2618-R2622 PolarHBondContact O-N 3Å; I2619-R2622 CarbonylContact O-C 3.55Å; I2619-R2622 PolarHBondContact O-N 2.94Å; A2620-R2622 VanDerWaalsContact C-N 3.29Å; A2620-R2622 PolarHBondContact O-N 2.87Å; R2622-E2625 IonicContact NE-OE2 3.09Å; R2622-L2626 WeakPolarHBondContact O-CB 3.32Å; R2622-L2626 PolarHBondContact O-N 3.02Å |
| 2623 | Q | 63.8 | Low | 66.1 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.5 | -38.3 | 176.6 | -83.7 | -178.4 | -39.8 | 0 | 0 | 111.6 | I2619 A2620 E2621 L2626 N2627 | I2619-Q2623 HydrophobicContact CG2-CG 4.46Å; I2619-Q2623 WeakPolarHBondContact O-CB 3.4Å; I2619-Q2623 WeakPolarHBondContact O-CG 3.37Å; I2619-Q2623 PolarHBondContact O-N 2.89Å; A2620-Q2623 PolarHBondContact O-N 3.39Å; A2620-Q2623 VanDerWaalsContact O-N 3.15Å; E2621-Q2623 PolarHBondContact O-N 3.3Å; Q2623-L2626 PolarHBondContact O-N 3.25Å; Q2623-N2627 WeakPolarHBondContact O-CB 3.37Å; Q2623-N2627 PolarHBondContact O-N 2.91Å; Q2623-N2627 PolarHBondContact O-ND2 2.86Å |
| 2624 | E | 72.1 | Confident | 66.7 | Low | 148 Ų | 148 | 98.2 Ų | 98.2 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 170.5 | -78.7 | -166.2 | 163.2 | 0 | 0 | 111.7 | A2620 E2621 L2626 N2627 S2628 | A2620-E2624 PolarHBondContact O-N 2.82Å; E2621-E2624 PolarHBondContact O-N 3.47Å; E2624-L2626 VanDerWaalsContact C-N 3.3Å; E2624-L2626 PolarHBondContact O-N 3.4Å; E2624-N2627 PolarHBondContact O-N 3.23Å; E2624-S2628 WeakPolarHBondContact O-CB 3.26Å; E2624-S2628 PolarHBondContact O-N 2.68Å |
| 2625 | E | 76.4 | Confident | 67.3 | Low | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | 172 | -76.9 | -174.9 | 162.5 | 0 | 0 | 111.7 | E2621 R2622 L2629 | E2621-E2625 WeakPolarHBondContact O-CG 3.37Å; E2621-E2625 PolarHBondContact O-N 2.98Å; R2622-E2625 IonicContact NE-OE2 3.09Å; E2625-L2629 VanDerWaalsContact O-CB 3.32Å; E2625-L2629 WeakPolarHBondContact O-CB 3.38Å; E2625-L2629 PolarHBondContact O-N 2.72Å |
| 2626 | L | 71.5 | Confident | 67.4 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 177.9 | -155.5 | 92.4 | 0 | 0 | 0 | 111.8 | R2622 Q2623 E2624 L2629 A2630 | R2622-L2626 WeakPolarHBondContact O-CB 3.32Å; R2622-L2626 PolarHBondContact O-N 3.02Å; Q2623-L2626 PolarHBondContact O-N 3.25Å; E2624-L2626 VanDerWaalsContact C-N 3.3Å; E2624-L2626 PolarHBondContact O-N 3.4Å; L2626-L2629 PolarHBondContact O-N 3.16Å; L2626-A2630 WeakPolarHBondContact O-CB 3.47Å; L2626-A2630 PolarHBondContact O-N 3.23Å |
| 2627 | N | 70 | Confident | 67.4 | Low | 107 Ų | 107 | 106.7 Ų | 106.7 | 57% | 0.572 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | 177.9 | -71.6 | -17.8 | 0 | 0 | 0 | 111.6 | Q2623 E2624 L2629 A2630 S2631 | Q2623-N2627 WeakPolarHBondContact O-CB 3.37Å; Q2623-N2627 PolarHBondContact O-N 2.91Å; Q2623-N2627 PolarHBondContact O-ND2 2.86Å; E2624-N2627 PolarHBondContact O-N 3.23Å; N2627-L2629 VanDerWaalsContact C-N 3.33Å; N2627-A2630 PolarHBondContact O-N 3.32Å; N2627-S2631 WeakPolarHBondContact O-CB 3.49Å; N2627-S2631 PolarHBondContact O-N 2.96Å |
| 2628 | S | 74.7 | Confident | 66.9 | Low | 61 Ų | 61 | 109 Ų | 109 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -39.8 | 170.6 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | E2624 S2631 K2632 | E2624-S2628 WeakPolarHBondContact O-CB 3.26Å; E2624-S2628 PolarHBondContact O-N 2.68Å; S2628-S2631 PolarHBondContact O-OG 3.35Å; S2628-S2631 VanDerWaalsContact O-OG 3.11Å; S2628-K2632 WeakPolarHBondContact O-CB 3.35Å; S2628-K2632 PolarHBondContact O-N 3.07Å |
| 2629 | L | 73.1 | Confident | 65.5 | Low | 104 Ų | 104 | 111.5 Ų | 111.5 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.6 | -40.4 | 175.8 | -166 | 69.8 | 0 | 0 | 0 | 111.2 | E2625 L2626 N2627 K2632 V2633 | E2625-L2629 VanDerWaalsContact O-CB 3.32Å; E2625-L2629 WeakPolarHBondContact O-CB 3.38Å; E2625-L2629 PolarHBondContact O-N 2.72Å; L2626-L2629 PolarHBondContact O-N 3.16Å; N2627-L2629 VanDerWaalsContact C-N 3.33Å; L2629-K2632 PolarHBondContact O-N 3.49Å; L2629-V2633 WeakPolarHBondContact O-CB 3.26Å; L2629-V2633 VanDerWaalsContact O-CG2 3.23Å; L2629-V2633 WeakPolarHBondContact O-CG2 3.13Å; L2629-V2633 PolarHBondContact O-N 3.01Å |
| 2630 | A | 70.7 | Confident | 65.7 | Low | 47 Ų | 47 | 113 Ų | 113 | 39% | 0.388 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2626 N2627 V2633 D2634 | L2626-A2630 WeakPolarHBondContact O-CB 3.47Å; L2626-A2630 PolarHBondContact O-N 3.23Å; N2627-A2630 PolarHBondContact O-N 3.32Å; A2630-V2633 WeakPolarHBondContact O-CB 3.43Å; A2630-V2633 PolarHBondContact O-N 3.08Å; A2630-D2634 PolarHBondContact O-N 2.93Å |
| 2631 | S | 68.5 | Low | 66 | Low | 61 Ų | 61 | 116.4 Ų | 116.4 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 174.8 | 85.8 | 0 | 0 | 0 | 0 | 111.7 | N2627 S2628 V2633 D2634 E2635 | N2627-S2631 WeakPolarHBondContact O-CB 3.49Å; N2627-S2631 PolarHBondContact O-N 2.96Å; S2628-S2631 PolarHBondContact O-OG 3.35Å; S2628-S2631 VanDerWaalsContact O-OG 3.11Å; S2631-V2633 VanDerWaalsContact C-N 3.32Å; S2631-V2633 PolarHBondContact O-N 3.29Å; S2631-D2634 PolarHBondContact O-N 3.22Å; S2631-E2635 PolarHBondContact O-N 2.83Å |
| 2632 | K | 73.3 | Confident | 65.7 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 52% | 0.517 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.9 | -35.5 | 171.9 | -89.6 | 178.2 | 174.9 | 170.3 | 0 | 112.7 | S2628 L2629 L2636 | S2628-K2632 WeakPolarHBondContact O-CB 3.35Å; S2628-K2632 PolarHBondContact O-N 3.07Å; L2629-K2632 PolarHBondContact O-N 3.49Å; K2632-L2636 VanDerWaalsContact O-CB 3.27Å; K2632-L2636 WeakPolarHBondContact O-CB 3.22Å; K2632-L2636 WeakPolarHBondContact O-CG 3.45Å; K2632-L2636 PolarHBondContact O-N 3.45Å |
| 2633 | V | 73.6 | Confident | 65.1 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.8 | -37.7 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | L2629 A2630 S2631 L2636 K2637 | L2629-V2633 WeakPolarHBondContact O-CB 3.26Å; L2629-V2633 VanDerWaalsContact O-CG2 3.23Å; L2629-V2633 WeakPolarHBondContact O-CG2 3.13Å; L2629-V2633 PolarHBondContact O-N 3.01Å; A2630-V2633 WeakPolarHBondContact O-CB 3.43Å; A2630-V2633 PolarHBondContact O-N 3.08Å; S2631-V2633 VanDerWaalsContact C-N 3.32Å; S2631-V2633 PolarHBondContact O-N 3.29Å; V2633-L2636 CarbonylContact O-C 3.44Å; V2633-L2636 PolarHBondContact O-N 2.81Å; V2633-K2637 WeakPolarHBondContact O-CG 3.41Å; V2633-K2637 PolarHBondContact O-N 3.4Å |
| 2634 | D | 60.8 | Low | 65.2 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 48% | 0.481 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.9 | -37 | 175.1 | -77.8 | -18.9 | 0 | 0 | 0 | 112.1 | A2630 S2631 K2637 Q2638 | A2630-D2634 PolarHBondContact O-N 2.93Å; S2631-D2634 PolarHBondContact O-N 3.22Å; D2634-K2637 PolarHBondContact O-N 2.82Å; D2634-Q2638 PolarHBondContact O-N 2.96Å |
| 2635 | E | 64.5 | Low | 64.8 | Low | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.4 | -42.4 | 168.4 | -79.8 | -176.7 | 161 | 0 | 0 | 111.4 | S2631 K2637 Q2638 V2639 | S2631-E2635 PolarHBondContact O-N 2.83Å; E2635-K2637 PolarHBondContact O-N 2.93Å; E2635-Q2638 PolarHBondContact O-N 3.1Å; E2635-Q2638 VanDerWaalsContact O-N 3.16Å; E2635-V2639 WeakPolarHBondContact O-CG2 3.41Å; E2635-V2639 PolarHBondContact O-N 3.01Å |
| 2636 | L | 58.7 | Low | 63.9 | Low | 128 Ų | 128 | 109.1 Ų | 109.1 | 67% | 0.67 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69 | -17.7 | 174.2 | -84.2 | 165.9 | 0 | 0 | 0 | 114.1 | K2632 V2633 V2639 | K2632-L2636 VanDerWaalsContact O-CB 3.27Å; K2632-L2636 WeakPolarHBondContact O-CB 3.22Å; K2632-L2636 WeakPolarHBondContact O-CG 3.45Å; K2632-L2636 PolarHBondContact O-N 3.45Å; V2633-L2636 CarbonylContact O-C 3.44Å; V2633-L2636 PolarHBondContact O-N 2.81Å; L2636-V2639 VanDerWaalsContact O-OXT 3.09Å |
| 2637 | K | 50.9 | Low | 63.3 | Low | 158 Ų | 158 | 108.8 Ų | 108.8 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -85.2 | -26.4 | 170.3 | -84.8 | 178.9 | 179 | 170.2 | 0 | 112.4 | V2633 D2634 E2635 | V2633-K2637 WeakPolarHBondContact O-CG 3.41Å; V2633-K2637 PolarHBondContact O-N 3.4Å; D2634-K2637 PolarHBondContact O-N 2.82Å; E2635-K2637 PolarHBondContact O-N 2.93Å |
| 2638 | Q | 44.3 | Very low | 62.8 | Low | 178 Ų | 178 | 108.9 Ų | 108.9 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -83.1 | -28.5 | 176.8 | -75.9 | -173.5 | 3.9 | 0 | 0 | 112.7 | D2634 E2635 | D2634-Q2638 PolarHBondContact O-N 2.96Å; E2635-Q2638 PolarHBondContact O-N 3.1Å; E2635-Q2638 VanDerWaalsContact O-N 3.16Å |
| 2639 | V | 40.4 | Very low | 61.7 | Low | 168 Ų | 168 | 113.3 Ų | 113.3 | 100% | 1.018 | 60% | 0.596 | S | S | * | * | trans | -76.1 | 0 | 164.3 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | E2635 L2636 | E2635-V2639 WeakPolarHBondContact O-CG2 3.41Å; E2635-V2639 PolarHBondContact O-N 3.01Å; L2636-V2639 VanDerWaalsContact O-OXT 3.09Å |
Retrieved 2,639 of 2,639 residues in 1194.5 ms
(Link to these results)