| 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 | 36.2 | Very low | 31.1 | Very low | 246 Ų | 246 | 174.9 Ų | 174.9 | 100% | 1.212 | 85% | 0.85 | S | S | * | * | 0 | 138.6 | 0 | -84.8 | 176 | 159.5 | 0 | 0 | 108.4 | |||||
| 2 | S | 37.1 | Very low | 31.1 | Very low | 115 Ų | 115 | 172.2 Ų | 172.2 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | 79 | 91.8 | -178.2 | -146.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3 | R | 29.8 | Very low | 31 | Very low | 222 Ų | 222 | 173.2 Ų | 173.2 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | 67.7 | 96.5 | 73.9 | -73.1 | -172.7 | 172.8 | 175.6 | -1.4 | 112.9 | |||||
| 4 | H | 33.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 173.1 Ų | 173.1 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | 78.6 | 120.4 | 98.3 | -82.3 | 36.7 | 0 | 0 | 0 | 114.6 | |||||
| 5 | R | 33.7 | Very low | 31.9 | Very low | 244 Ų | 244 | 168.1 Ų | 168.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | -169.2 | 107.6 | 118.2 | -101.4 | 168.9 | -168.4 | -172.7 | 3.7 | 110.4 | V7 | R5-V7 PolarHBondContact O-N 3.28Š| |||
| 6 | N | 29.4 | Very low | 32.5 | Very low | 167 Ų | 167 | 167.5 Ų | 167.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -66.5 | 122.6 | 164.3 | -81.2 | -24.4 | 0 | 0 | 0 | 109 | K8 | N6-K8 PolarHBondContact O-N 2.9Š| ||
| 7 | V | 31.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 161.5 Ų | 161.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 112.5 | 165.6 | 177 | 0 | 0 | 0 | 0 | 107 | R5 T9 | R5-V7 PolarHBondContact O-N 3.28Å; V7-T9 PolarHBondContact O-N 3.3Å | ||
| 8 | K | 27.2 | Very low | 34.3 | Very low | 191 Ų | 191 | 154 Ų | 154 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -78.9 | 105.2 | 167 | -84.3 | -175.4 | 173.6 | -176.6 | 0 | 107.9 | N6 I10 | N6-K8 PolarHBondContact O-N 2.9Å; K8-I10 PolarHBondContact O-N 3.2Å | ||
| 9 | T | 26.7 | Very low | 35.3 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | -65.1 | 114.5 | 163.2 | -49.7 | 0 | 0 | 0 | 0 | 108 | V7 H11 | V7-T9 PolarHBondContact O-N 3.3Å; T9-H11 PolarHBondContact O-N 2.72Å | ||
| 10 | I | 30.3 | Very low | 36.5 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -81.7 | 108.7 | 171.4 | -60.5 | 172.2 | 0 | 0 | 0 | 105.9 | K8 I12 | K8-I10 PolarHBondContact O-N 3.2Å; I10-I12 PolarHBondContact O-N 2.62Å | ||
| 11 | H | 26.9 | Very low | 37.5 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 78% | 0.778 | 67% | 0.671 | S | S | * | * | trans | -68.9 | 110 | 167.2 | -75 | -77.9 | 0 | 0 | 0 | 108 | T9 E13 | T9-H11 PolarHBondContact O-N 2.72Å; H11-E13 PolarHBondContact O-N 3.45Å | ||
| 12 | I | 31.5 | Very low | 38.5 | Very low | 142 Ų | 142 | 131 Ų | 131 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | trans | -80.5 | 107.6 | 166 | -58 | 172.6 | 0 | 0 | 0 | 104.9 | I10 E14 | I10-I12 PolarHBondContact O-N 2.62Å; I12-E14 PolarHBondContact O-N 2.95Å; I12-E14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | E | 29.2 | Very low | 39.6 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 63% | 0.627 | S | S | * | * | trans | -60.9 | 109.2 | 165.3 | -76.1 | -179.4 | 158.5 | 0 | 0 | 107.1 | H11 D15 | H11-E13 PolarHBondContact O-N 3.45Å; E13-D15 PolarHBondContact O-N 2.87Å; E13-D15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | E | 33.3 | Very low | 41.5 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 80% | 0.804 | 61% | 0.612 | S | S | * | * | trans | -61.9 | 108.9 | 171 | -74.1 | 179.2 | 168.1 | 0 | 0 | 107.9 | I12 E16 | I12-E14 PolarHBondContact O-N 2.95Å; I12-E14 VanDerWaalsContact O-N 3.08Å; E14-E16 VanDerWaalsContact C-N 3.26Å; E14-E16 PolarHBondContact O-N 2.92Å | ||
| 15 | D | 41.8 | Very low | 43.7 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | trans | -69.7 | 88.4 | 173.3 | -146.3 | -11 | 0 | 0 | 0 | 106.9 | E13 N17 A18 | E13-D15 PolarHBondContact O-N 2.87Å; E13-D15 VanDerWaalsContact O-N 3.08Å; D15-N17 PolarHBondContact O-N 3.31Å; D15-A18 PolarHBondContact O-N 3.38Å; D15-A18 VanDerWaalsContact O-N 3.09Å | ||
| 16 | E | 41.9 | Very low | 45.9 | Very low | 158 Ų | 158 | 104.2 Ų | 104.2 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -10.4 | -172.8 | -72.6 | -175.1 | 152.4 | 0 | 0 | 114.5 | E14 K314 | E14-E16 VanDerWaalsContact C-N 3.26Å; E14-E16 PolarHBondContact O-N 2.92Å; E16-K314 PolarHBondContact O-NZ 3.33Å |
| 17 | N | 47.6 | Very low | 48.4 | Very low | 65 Ų | 65 | 97 Ų | 97 | 35% | 0.348 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -2.7 | -174.8 | -64.7 | -51.4 | 0 | 0 | 0 | 115.2 | D15 R249 | D15-N17 PolarHBondContact O-N 3.31Å; N17-R249 WeakPolarHBondContact CB-O 3.11Å; N17-R249 WeakPolarHBondContact O-CB 3.36Å |
| 18 | A | 49.4 | Very low | 51 | Low | 27 Ų | 27 | 90.9 Ų | 90.9 | 22% | 0.223 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -73 | 142.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D15 P26 | D15-A18 PolarHBondContact O-N 3.38Å; D15-A18 VanDerWaalsContact O-N 3.09Å; A18-P26 HydrophobicContact CB-CB 4.39Å |
| 19 | T | 54.8 | Low | 53.9 | Low | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.006 | 43% | 0.428 | C | S | . | . | trans | -79.1 | 131.3 | 166.4 | 38.6 | 0 | 0 | 0 | 0 | 109.1 | P26 I27 R249 K314 T315 E317 | T19-P26 CarbonylContact O-C 3.49Å; T19-P26 WeakPolarHBondContact O-CA 3.48Å; T19-I27 PolarHBondContact O-N 2.85Å; T19-R249 VanDerWaalsContact CB-NH1 3.33Å; T19-R249 PolarHBondContact OG1-NH1 3.29Å; T19-R249 PolarHBondContact OG1-NH2 3.5Å; T19-K314 HydrophobicContact CG2-CB 3.89Å; T19-T315 WeakPolarHBondContact CG2-O 3.35Å; T19-E317 HydrophobicContact CG2-CB 4.45Å; T19-E317 HydrophobicContact CG2-CG 3.12Å | ||
| 20 | I | 59.3 | Low | 57 | Low | 75 Ų | 75 | 76.4 Ų | 76.4 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -112.4 | 118.8 | -170.4 | -68 | 175.2 | 0 | 0 | 0 | 106.1 | G24 K25 | I20-G24 VanDerWaalsContact CG2-C 3.42Å; I20-K25 CarbonylContact C-O 3.58Å; I20-K25 WeakPolarHBondContact CA-O 3.32Å |
| 21 | G | 57.4 | Low | 60 | Low | 12 Ų | 12 | 69.5 Ų | 69.5 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | trans | -69.4 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D23 G24 K25 | G21-D23 PolarHBondContact O-N 2.84Å; G21-G24 PolarHBondContact O-N 3.03Å; G21-K25 PolarHBondContact N-O 3.1Å | ||
| 22 | E | 56.2 | Low | 63.2 | Low | 136 Ų | 136 | 61.5 Ų | 61.5 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -34 | -177.4 | -68.2 | 175.3 | -151.2 | 0 | 0 | 112.5 | G24 | E22-G24 PolarHBondContact O-N 2.78Š|
| 23 | D | 60.5 | Low | 66.1 | Low | 84 Ų | 84 | 54.7 Ų | 54.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.8 | -177.9 | -44.2 | -67.2 | 0 | 0 | 0 | 115.4 | G21 K25 E101 | G21-D23 PolarHBondContact O-N 2.84Å; D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 HydrophobicContact CB-CD 4.39Å; D23-K25 HydrophobicContact CB-CG 4.34Å; D23-K25 PolarHBondContact O-N 3.11Å; D23-E101 VanDerWaalsContact OD2-OE1 3.1Å |
| 24 | G | 70.2 | Confident | 69 | Low | 50 Ų | 50 | 45.9 Ų | 45.9 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 84.4 | -1.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I20 G21 E22 | I20-G24 VanDerWaalsContact CG2-C 3.42Å; G21-G24 PolarHBondContact O-N 3.03Å; E22-G24 PolarHBondContact O-N 2.78Å |
| 25 | K | 79.2 | Confident | 71.6 | Confident | 47 Ų | 47 | 39 Ų | 39 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -89.9 | 146.1 | -174.9 | -62.1 | 174.4 | -169.4 | 164 | 0 | 112.9 | I20 G21 D23 I27 E101 T102 | I20-K25 CarbonylContact C-O 3.58Å; I20-K25 WeakPolarHBondContact CA-O 3.32Å; G21-K25 PolarHBondContact N-O 3.1Å; D23-K25 VanDerWaalsContact C-N 3.28Å; D23-K25 HydrophobicContact CB-CD 4.39Å; D23-K25 HydrophobicContact CB-CG 4.34Å; D23-K25 PolarHBondContact O-N 3.11Å; K25-I27 PolarHBondContact O-N 3.01Å; K25-E101 IonicContact NZ-OE2 2.83Å; K25-E101 PolarHBondContact NZ-OE2 2.95Å; K25-T102 WeakPolarHBondContact CE-O 3.41Å; K25-T102 PolarHBondContact NZ-O 3.13Å |
| 26 | P | 80.5 | Confident | 73.7 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -57.2 | 132 | 171.9 | 19.1 | -30.4 | 0 | 0 | 0 | 113 | A18 T19 H104 F105 S106 | A18-P26 HydrophobicContact CB-CB 4.39Å; T19-P26 CarbonylContact O-C 3.49Å; T19-P26 WeakPolarHBondContact O-CA 3.48Å; P26-H104 VanDerWaalsContact CD-O 3.24Å; P26-H104 WeakPolarHBondContact CD-O 3.45Å; P26-H104 VanDerWaalsContact CG-O 3.28Å; P26-H104 WeakPolarHBondContact CG-O 3.38Å; P26-F105 HydrophobicContact CB-CD1 3.89Å; P26-F105 HydrophobicContact CB-CE1 4.04Å; P26-F105 HydrophobicContact CG-CD1 3.52Å; P26-F105 HydrophobicContact CG-CE1 3.67Å; P26-F105 HydrophobicContact CG-CG 4.4Å; P26-F105 WeakPolarHBondContact O-CA 3.49Å; P26-S106 PolarHBondContact O-N 3.16Å |
| 27 | I | 81.7 | Confident | 75.8 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.3 | 176.3 | -55 | 176 | 0 | 0 | 0 | 110.6 | T19 K25 S106 I108 R249 | T19-I27 PolarHBondContact O-N 2.85Å; K25-I27 PolarHBondContact O-N 3.01Å; I27-S106 CarbonylContact C-O 3.59Å; I27-S106 VanDerWaalsContact CA-O 3.25Å; I27-S106 WeakPolarHBondContact CA-O 3.28Å; I27-I108 HydrophobicContact CG2-CD1 3.82Å; I27-I108 HydrophobicContact CG2-CG1 3.87Å; I27-R249 PolarHBondContact O-NH2 2.84Å |
| 28 | L | 86.3 | Confident | 77.9 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136 | 172.3 | -70.8 | 179.6 | 0 | 0 | 0 | 111.8 | F105 S106 F107 I108 E130 V131 I247 | L28-F105 HydrophobicContact CD1-CD1 3.37Å; L28-F105 HydrophobicContact CD1-CD2 4.38Å; L28-F105 HydrophobicContact CD1-CE1 3.44Å; L28-F105 VanDerWaalsContact CD1-CE1 3.44Å; L28-F105 HydrophobicContact CD1-CE2 4.43Å; L28-F105 HydrophobicContact CD1-CG 3.87Å; L28-F105 HydrophobicContact CD1-CZ 3.99Å; L28-F105 HydrophobicContact CG-CD1 3.67Å; L28-F105 HydrophobicContact CG-CE1 3.94Å; L28-F105 HydrophobicContact CG-CG 4.44Å; L28-S106 PolarHBondContact N-O 3.01Å; L28-F107 HydrophobicContact CB-CD1 3.82Å; L28-F107 HydrophobicContact CB-CE1 3.7Å; L28-F107 HydrophobicContact CD1-CE1 3.88Å; L28-F107 HydrophobicContact CD1-CZ 4.08Å; L28-F107 HydrophobicContact CG-CE1 4.44Å; L28-F107 CarbonylContact O-C 3.47Å; L28-F107 VanDerWaalsContact O-CA 3.3Å; L28-F107 WeakPolarHBondContact O-CA 3.37Å; L28-I108 PolarHBondContact O-N 3.22Å; L28-E130 WeakPolarHBondContact CD2-OE2 3.48Å; L28-V131 HydrophobicContact CD1-CG2 4.38Å; L28-I247 HydrophobicContact CD2-CD1 4.13Å; L28-I247 HydrophobicContact CD2-CG1 4.44Å |
| 29 | N | 86.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.8 | 175.7 | -61.7 | -12 | 0 | 0 | 0 | 110.1 | Q128 E130 V131 K276 | N29-Q128 WeakPolarHBondContact CB-O 3.48Å; N29-Q128 PolarHBondContact ND2-O 2.88Å; N29-E130 PolarHBondContact O-N 2.52Å; N29-V131 PolarHBondContact O-N 3.5Å; N29-V131 VanDerWaalsContact O-N 3.09Å; N29-K276 PolarHBondContact ND2-NZ 2.89Å |
| 30 | L | 92.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.5 | -177.5 | 176.8 | 66.3 | 0 | 0 | 0 | 110.7 | F100 F107 I108 L109 L110 V131 L133 L241 | L30-F100 HydrophobicContact CD2-CE1 4.18Å; L30-F100 HydrophobicContact CD2-CZ 3.98Å; L30-F107 HydrophobicContact CB-CD1 3.96Å; L30-I108 PolarHBondContact N-O 2.72Å; L30-L109 HydrophobicContact CD2-CD1 4.12Å; L30-L109 HydrophobicContact CG-CD1 4.43Å; L30-L109 CarbonylContact O-C 3.6Å; L30-L110 PolarHBondContact O-N 3.41Å; L30-V131 WeakPolarHBondContact CA-O 3.4Å; L30-V131 HydrophobicContact CD1-CB 4.06Å; L30-V131 HydrophobicContact CD1-CG1 3.83Å; L30-L133 HydrophobicContact CD1-CB 4.1Å; L30-L241 HydrophobicContact CD1-CD2 4.01Å; L30-L241 HydrophobicContact CD2-CD1 4.22Å; L30-L241 HydrophobicContact CD2-CD2 3.77Å |
| 31 | V | 92.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.6 | 169.1 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | V33 L110 A112 A126 A129 V131 A132 L133 I160 I165 | V31-V33 HydrophobicContact CG1-CG1 4.38Å; V31-V33 HydrophobicContact CG2-CG1 3.93Å; V31-L110 WeakPolarHBondContact CA-O 3.47Å; V31-L110 HydrophobicContact CB-CB 4.44Å; V31-L110 HydrophobicContact CG2-CB 4.44Å; V31-A112 HydrophobicContact CG2-CB 3.85Å; V31-A126 HydrophobicContact CG1-CB 4.25Å; V31-A126 HydrophobicContact CG2-CB 4.31Å; V31-A129 HydrophobicContact CB-CB 3.53Å; V31-A129 HydrophobicContact CG1-CB 3.57Å; V31-V131 PolarHBondContact N-O 2.88Å; V31-A132 HydrophobicContact CG1-CB 3.69Å; V31-A132 CarbonylContact O-C 3.53Å; V31-A132 VanDerWaalsContact O-CA 3.31Å; V31-A132 WeakPolarHBondContact O-CA 3.17Å; V31-L133 PolarHBondContact O-N 2.83Å; V31-I160 HydrophobicContact CG1-CG2 4.47Å; V31-I165 HydrophobicContact CG1-CD1 3.64Å |
| 32 | V | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.7 | 174.3 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | K40 M44 L109 L110 A112 L133 V135 | V32-K40 HydrophobicContact CG1-CB 3.9Å; V32-K40 HydrophobicContact CG1-CD 4.42Å; V32-K40 HydrophobicContact CG1-CG 4.11Å; V32-M44 HydrophobicContact CB-CG 4.41Å; V32-M44 HydrophobicContact CG1-CG 4.22Å; V32-M44 HydrophobicContact CG2-CG 3.78Å; V32-M44 HydrophobicContact CG2-SD 3.67Å; V32-L109 HydrophobicContact CG2-CD1 3.43Å; V32-L109 VanDerWaalsContact CG2-CD1 3.43Å; V32-L110 PolarHBondContact N-O 3.21Å; V32-A112 VanDerWaalsContact O-CB 3.25Å; V32-A112 WeakPolarHBondContact O-CB 3.13Å; V32-A112 PolarHBondContact O-N 3.2Å; V32-L133 WeakPolarHBondContact CA-O 3.36Å; V32-L133 HydrophobicContact CG1-CD2 4.38Å; V32-L133 HydrophobicContact CG2-CB 4.27Å; V32-L133 HydrophobicContact CG2-CD2 4.27Å; V32-V135 HydrophobicContact CG1-CG2 3.68Å |
| 33 | V | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.4 | -175.8 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | V31 A112 M122 L133 L134 V135 H156 I160 | V31-V33 HydrophobicContact CG1-CG1 4.38Å; V31-V33 HydrophobicContact CG2-CG1 3.93Å; V33-A112 HydrophobicContact CG1-CB 4.36Å; V33-M122 HydrophobicContact CG1-CE 4.41Å; V33-M122 HydrophobicContact CG1-CG 4.1Å; V33-M122 HydrophobicContact CG1-SD 4.23Å; V33-L133 PolarHBondContact N-O 3.29Å; V33-L134 HydrophobicContact CG2-CB 4.44Å; V33-L134 HydrophobicContact CG2-CD1 3.8Å; V33-L134 CarbonylContact O-C 3.54Å; V33-L134 WeakPolarHBondContact O-CA 3.22Å; V33-V135 PolarHBondContact O-N 2.8Å; V33-H156 HydrophobicContact CB-CB 4.19Å; V33-I160 HydrophobicContact CG1-CG2 3.97Å; V33-I160 HydrophobicContact CG2-CD1 4.26Å; V33-I160 HydrophobicContact CG2-CG2 4.18Å |
| 34 | G | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | 176.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | H156 | G34-H156 PolarHBondContact N-ND1 2.96Å; G34-H156 PolarHBondContact O-CE1 3.43Å; G34-H156 PolarHBondContact O-ND1 2.66Å |
| 35 | H | 88.7 | Confident | 89.3 | Confident | 29 Ų | 29 | 13.7 Ų | 13.7 | 13% | 0.134 | 8% | 0.077 | C | C | . | . | trans | -58.6 | 160.6 | 176.9 | -167.8 | 53.2 | 0 | 0 | 0 | 112.2 | D37 A38 K40 Q152 | H35-D37 VanDerWaalsContact C-N 3.32Å; H35-D37 IonicContact CD2-OD2 2.96Å; H35-D37 IonicContact NE2-OD2 3.42Å; H35-D37 PolarHBondContact O-N 3.14Å; H35-A38 HydrophobicContact CB-CB 4.25Å; H35-A38 WeakPolarHBondContact O-CB 3.4Å; H35-A38 PolarHBondContact O-N 3.42Å; H35-K40 PolarHBondContact O-NZ 2.97Å; H35-Q152 PolarHBondContact CE1-OE1 3.46Å; H35-Q152 VanDerWaalsContact CE1-OE1 3.28Å; H35-Q152 PolarHBondContact ND1-OE1 2.79Å | ||
| 36 | V | 84.9 | Confident | 90 | Very high | 39 Ų | 39 | 12.1 Ų | 12.1 | 24% | 0.236 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -53.8 | -51.2 | 175.6 | 178 | 0 | 0 | 0 | 0 | 110.2 | A38 I91 G114 H115 | V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.05Å; V36-I91 HydrophobicContact CG1-CG2 3.96Å; V36-G114 VanDerWaalsContact CG2-C 3.48Å; V36-H115 HydrophobicContact CG2-CB 4.02Å |
| 37 | D | 86.5 | Confident | 90.6 | Very high | 80 Ų | 80 | 11.3 Ų | 11.3 | 43% | 0.428 | 7% | 0.065 | S | C | . | . | G | 310 helix | trans | -83.1 | 5.5 | -175.3 | -55.9 | -44.5 | 0 | 0 | 0 | 114.2 | H35 G39 N137 K174 | H35-D37 VanDerWaalsContact C-N 3.32Å; H35-D37 IonicContact CD2-OD2 2.96Å; H35-D37 IonicContact NE2-OD2 3.42Å; H35-D37 PolarHBondContact O-N 3.14Å; D37-G39 PolarHBondContact O-N 2.97Å; D37-N137 PolarHBondContact O-ND2 3.09Å; D37-K174 WeakPolarHBondContact O-CE 2.87Å; D37-K174 PolarHBondContact O-NZ 2.84Å |
| 38 | A | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -70.4 | -14.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H35 V36 V135 N173 | H35-A38 HydrophobicContact CB-CB 4.25Å; H35-A38 WeakPolarHBondContact O-CB 3.4Å; H35-A38 PolarHBondContact O-N 3.42Å; V36-A38 VanDerWaalsContact C-N 3.25Å; V36-A38 PolarHBondContact O-N 3.05Å; A38-V135 HydrophobicContact CB-CB 4.2Å; A38-V135 HydrophobicContact CB-CG1 4Å; A38-V135 WeakPolarHBondContact CB-O 2.95Å; A38-V135 VanDerWaalsContact O-CG1 3.25Å; A38-V135 WeakPolarHBondContact O-CG1 3.48Å; A38-N173 PolarHBondContact O-ND2 3.35Å |
| 39 | G | 90.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 13.3 Ų | 13.3 | 16% | 0.155 | 7% | 0.072 | C | C | . | . | trans | 77.3 | 36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D37 L43 | D37-G39 PolarHBondContact O-N 2.97Å; G39-L43 WeakPolarHBondContact O-CB 3.45Å; G39-L43 PolarHBondContact O-N 3.2Å | ||
| 40 | K | 92.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.9 | -60.5 | -178.5 | -61.1 | 177.7 | -56.2 | -56.1 | 0 | 112.7 | V32 H35 T42 L43 M44 A112 V135 | V32-K40 HydrophobicContact CG1-CB 3.9Å; V32-K40 HydrophobicContact CG1-CD 4.42Å; V32-K40 HydrophobicContact CG1-CG 4.11Å; H35-K40 PolarHBondContact O-NZ 2.97Å; K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 2.67Å; K40-L43 WeakPolarHBondContact O-CB 3.36Å; K40-L43 PolarHBondContact O-N 2.97Å; K40-M44 WeakPolarHBondContact O-CG 3.22Å; K40-M44 PolarHBondContact O-N 3.15Å; K40-A112 WeakPolarHBondContact CE-O 3.25Å; K40-V135 HydrophobicContact CG-CB 4.02Å; K40-V135 HydrophobicContact CG-CG2 4.01Å |
| 41 | S | 92 | Very high | 91.5 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 6% | 0.063 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.9 | -34.6 | -176.2 | -39 | 0 | 0 | 0 | 0 | 111.7 | G45 T92 D111 | S41-G45 PolarHBondContact O-N 2.8Å; S41-T92 PolarHBondContact OG-OG1 2.82Å; S41-D111 VanDerWaalsContact CB-OD2 3.27Å; S41-D111 WeakPolarHBondContact CB-OD2 3.47Å; S41-D111 PolarHBondContact OG-OD2 2.92Å |
| 42 | T | 92.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 171 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | K40 H46 Y76 | K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 2.67Å; T42-H46 VanDerWaalsContact O-CB 3.31Å; T42-H46 WeakPolarHBondContact O-CB 3.39Å; T42-H46 PolarHBondContact O-N 3.08Å; T42-Y76 HydrophobicContact CG2-CD2 4.36Å |
| 43 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.5 | -179.4 | 70.1 | 0 | 0 | 0 | 111 | G39 K40 L47 L133 V135 A171 G212 L218 L237 | G39-L43 WeakPolarHBondContact O-CB 3.45Å; G39-L43 PolarHBondContact O-N 3.2Å; K40-L43 WeakPolarHBondContact O-CB 3.36Å; K40-L43 PolarHBondContact O-N 2.97Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 PolarHBondContact O-N 2.95Å; L43-L133 HydrophobicContact CD2-CD2 4.48Å; L43-V135 HydrophobicContact CD2-CG1 4.13Å; L43-V135 HydrophobicContact CD2-CG2 3.94Å; L43-A171 HydrophobicContact CD2-CB 4.05Å; L43-G212 VanDerWaalsContact CD1-CA 3.48Å; L43-L218 HydrophobicContact CD1-CD1 4.36Å; L43-L218 HydrophobicContact CD1-CD2 3.34Å; L43-L218 HydrophobicContact CD1-CG 4.5Å; L43-L237 HydrophobicContact CD1-CD2 4.35Å; L43-L237 HydrophobicContact CD2-CD2 4.21Å; L43-L237 HydrophobicContact CG-CD2 4.32Å |
| 44 | M | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.8 | -43.5 | -179.2 | -67.1 | -58.7 | 94.4 | 0 | 0 | 113.1 | V32 K40 H46 L47 L48 L80 L109 L133 L237 | V32-M44 HydrophobicContact CB-CG 4.41Å; V32-M44 HydrophobicContact CG1-CG 4.22Å; V32-M44 HydrophobicContact CG2-CG 3.78Å; V32-M44 HydrophobicContact CG2-SD 3.67Å; K40-M44 WeakPolarHBondContact O-CG 3.22Å; K40-M44 PolarHBondContact O-N 3.15Å; M44-H46 VanDerWaalsContact C-N 3.28Å; M44-H46 PolarHBondContact O-N 2.89Å; M44-L47 HydrophobicContact CE-CD2 4.12Å; M44-L47 WeakPolarHBondContact O-CB 2.89Å; M44-L47 PolarHBondContact O-N 2.92Å; M44-L47 VanDerWaalsContact O-N 3.13Å; M44-L47 HydrophobicContact SD-CD2 4.43Å; M44-L48 WeakPolarHBondContact O-CG 3.34Å; M44-L48 PolarHBondContact O-N 3.36Å; M44-L80 HydrophobicContact CB-CD1 3.62Å; M44-L109 HydrophobicContact CB-CD2 3.9Å; M44-L109 HydrophobicContact CG-CD1 4.16Å; M44-L109 HydrophobicContact CG-CD2 4.12Å; M44-L109 HydrophobicContact SD-CD1 3.71Å; M44-L109 HydrophobicContact SD-CD2 4.27Å; M44-L133 HydrophobicContact CE-CD2 3.5Å; M44-L133 VanDerWaalsContact CE-CD2 3.5Å; M44-L133 HydrophobicContact SD-CD2 4.09Å; M44-L237 HydrophobicContact CE-CD2 4.12Å |
| 45 | G | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S41 Y49 Y76 | S41-G45 PolarHBondContact O-N 2.8Å; G45-Y49 WeakPolarHBondContact O-CB 3.27Å; G45-Y49 PolarHBondContact O-N 2.76Å; G45-Y76 WeakPolarHBondContact CA-O 3.37Å |
| 46 | H | 93.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.6 | -39 | 173.4 | -160.8 | 170.1 | 0 | 0 | 0 | 111.6 | T42 M44 Y49 I50 Y76 G212 L213 G215 L218 | T42-H46 VanDerWaalsContact O-CB 3.31Å; T42-H46 WeakPolarHBondContact O-CB 3.39Å; T42-H46 PolarHBondContact O-N 3.08Å; M44-H46 VanDerWaalsContact C-N 3.28Å; M44-H46 PolarHBondContact O-N 2.89Å; H46-Y49 WeakPolarHBondContact O-CB 3.47Å; H46-Y49 PolarHBondContact O-N 3.44Å; H46-I50 WeakPolarHBondContact O-CG1 3.02Å; H46-I50 PolarHBondContact O-N 3.27Å; H46-Y76 HydrophobicContact CB-CD1 3.76Å; H46-Y76 HydrophobicContact CB-CD2 4.2Å; H46-Y76 HydrophobicContact CB-CE1 4.03Å; H46-Y76 HydrophobicContact CB-CE2 4.46Å; H46-Y76 HydrophobicContact CB-CG 3.84Å; H46-Y76 AromaticContact CD2-CE1 3.36Å; H46-Y76 WeakPolarHBondContact CD2-CE1 3.35Å; H46-Y76 AromaticContact CD2-CZ 3.48Å; H46-Y76 VanDerWaalsContact CD2-CZ 3.48Å; H46-Y76 AromaticContact CE1-CE2 3.89Å; H46-Y76 AromaticContact CE1-CZ 3.63Å; H46-Y76 PolarHBondContact CE1-OH 2.81Å; H46-Y76 AromaticContact CG-CD1 3.93Å; H46-Y76 AromaticContact CG-CE1 3.66Å; H46-Y76 AromaticContact CG-CE2 3.96Å; H46-Y76 AromaticContact CG-CZ 3.68Å; H46-Y76 AromaticContact ND1-CE2 3.75Å; H46-Y76 AromaticContact ND1-CZ 3.76Å; H46-Y76 AromaticContact NE2-CE1 3.8Å; H46-Y76 AromaticContact NE2-CZ 3.43Å; H46-Y76 PolarHBondContact NE2-OH 2.74Å; H46-G212 WeakPolarHBondContact CB-O 3.14Å; H46-G212 PolarHBondContact ND1-O 3.05Å; H46-L213 PolarHBondContact CE1-O 3.18Å; H46-G215 WeakPolarHBondContact CE1-CA 3.41Å; H46-G215 PolarHBondContact CE1-N 3.4Å; H46-L218 HydrophobicContact CB-CD1 4.29Å |
| 47 | L | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.2 | -176.8 | 64.8 | 0 | 0 | 0 | 111.8 | L43 M44 Y49 I50 L51 L218 I238 | L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 PolarHBondContact O-N 2.95Å; M44-L47 HydrophobicContact CE-CD2 4.12Å; M44-L47 WeakPolarHBondContact O-CB 2.89Å; M44-L47 PolarHBondContact O-N 2.92Å; M44-L47 VanDerWaalsContact O-N 3.13Å; M44-L47 HydrophobicContact SD-CD2 4.43Å; L47-Y49 VanDerWaalsContact C-N 3.28Å; L47-Y49 PolarHBondContact O-N 2.91Å; L47-I50 PolarHBondContact O-N 2.94Å; L47-I50 VanDerWaalsContact O-N 3.13Å; L47-L51 HydrophobicContact CD1-CD1 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.45Å; L47-L51 HydrophobicContact CG-CD1 4.13Å; L47-L51 WeakPolarHBondContact O-CG 3.11Å; L47-L51 PolarHBondContact O-N 2.97Å; L47-L218 HydrophobicContact CD1-CB 4.13Å; L47-I238 HydrophobicContact CD1-CD1 3.79Å; L47-I238 HydrophobicContact CD1-CG1 3.58Å; L47-I238 HydrophobicContact CD2-CD1 4.01Å; L47-I238 HydrophobicContact CG-CD1 4.24Å |
| 48 | L | 92.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 176.3 | -70 | 170.5 | 0 | 0 | 0 | 112.4 | M44 G52 N53 V54 V79 L80 T98 F100 L109 | M44-L48 WeakPolarHBondContact O-CG 3.34Å; M44-L48 PolarHBondContact O-N 3.36Å; L48-G52 PolarHBondContact O-N 3.49Å; L48-N53 HydrophobicContact CB-CB 4.42Å; L48-N53 HydrophobicContact CD2-CB 4.16Å; L48-N53 PolarHBondContact O-N 2.73Å; L48-V54 HydrophobicContact CB-CG2 4.07Å; L48-V79 HydrophobicContact CD1-CG1 3.98Å; L48-L80 HydrophobicContact CD1-CD2 3.85Å; L48-L80 HydrophobicContact CD1-CG 4.41Å; L48-T98 HydrophobicContact CD1-CG2 3.82Å; L48-T98 HydrophobicContact CD2-CG2 3.89Å; L48-F100 HydrophobicContact CD2-CB 3.89Å; L48-F100 HydrophobicContact CD2-CD1 4.42Å; L48-L109 HydrophobicContact CD1-CD2 4.26Å |
| 49 | Y | 92.1 | Very high | 91 | Very high | 59 Ų | 59 | 42.2 Ų | 42.2 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.2 | 175.6 | -107.2 | 0 | 0 | 0 | 112.3 | G45 H46 L47 G52 Q56 M59 Y76 | G45-Y49 WeakPolarHBondContact O-CB 3.27Å; G45-Y49 PolarHBondContact O-N 2.76Å; H46-Y49 WeakPolarHBondContact O-CB 3.47Å; H46-Y49 PolarHBondContact O-N 3.44Å; L47-Y49 VanDerWaalsContact C-N 3.28Å; L47-Y49 PolarHBondContact O-N 2.91Å; Y49-G52 PolarHBondContact O-N 2.83Å; Y49-Q56 HydrophobicContact CE2-CG 4.26Å; Y49-M59 HydrophobicContact CD2-CB 3.88Å; Y49-M59 HydrophobicContact CD2-CG 3.71Å; Y49-M59 HydrophobicContact CD2-SD 4.39Å; Y49-M59 HydrophobicContact CE2-CB 3.79Å; Y49-M59 HydrophobicContact CE2-CG 3.75Å; Y49-M59 HydrophobicContact CG-CG 4.33Å; Y49-Y76 AromaticContact CD1-CE1 3.96Å; Y49-Y76 HydrophobicContact CD1-CE1 3.96Å; Y49-Y76 HydrophobicContact CG-CE1 4.23Å |
| 50 | I | 91.1 | Very high | 90.9 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.2 | -36.2 | 179.4 | -69.3 | 166.1 | 0 | 0 | 0 | 111.7 | H46 L47 G52 L218 N219 | H46-I50 WeakPolarHBondContact O-CG1 3.02Å; H46-I50 PolarHBondContact O-N 3.27Å; L47-I50 PolarHBondContact O-N 2.94Å; L47-I50 VanDerWaalsContact O-N 3.13Å; I50-G52 PolarHBondContact O-N 2.81Å; I50-L218 HydrophobicContact CD1-CB 4.22Å; I50-L218 HydrophobicContact CD1-CD1 3.9Å; I50-N219 HydrophobicContact CG2-CB 3.6Å |
| 51 | L | 90.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.8 | 177.7 | -65.9 | 176.9 | 0 | 0 | 0 | 113.3 | L47 N53 F100 I238 | L47-L51 HydrophobicContact CD1-CD1 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.45Å; L47-L51 HydrophobicContact CG-CD1 4.13Å; L47-L51 WeakPolarHBondContact O-CG 3.11Å; L47-L51 PolarHBondContact O-N 2.97Å; L51-N53 VanDerWaalsContact CB-OD1 3.22Å; L51-N53 WeakPolarHBondContact CB-OD1 3.5Å; L51-F100 HydrophobicContact CD1-CB 3.84Å; L51-F100 HydrophobicContact CD1-CD2 3.7Å; L51-F100 HydrophobicContact CD1-CG 4.03Å; L51-I238 HydrophobicContact CD1-CD1 3.95Å; L51-I238 HydrophobicContact CD2-CD1 4.31Å; L51-I238 HydrophobicContact CD2-CG1 4.47Å |
| 52 | G | 89.2 | Confident | 90.6 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 7.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L48 Y49 I50 V54 | L48-G52 PolarHBondContact O-N 3.49Å; Y49-G52 PolarHBondContact O-N 2.83Å; I50-G52 PolarHBondContact O-N 2.81Å; G52-V54 PolarHBondContact O-N 2.99Å |
| 53 | N | 88 | Confident | 90.4 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | trans | -70 | -14.4 | 175.9 | -62.7 | 85.6 | 0 | 0 | 0 | 112.9 | L48 L51 R99 | L48-N53 HydrophobicContact CB-CB 4.42Å; L48-N53 HydrophobicContact CD2-CB 4.16Å; L48-N53 PolarHBondContact O-N 2.73Å; L51-N53 VanDerWaalsContact CB-OD1 3.22Å; L51-N53 WeakPolarHBondContact CB-OD1 3.5Å; N53-R99 PolarHBondContact ND2-O 3.32Å | ||
| 54 | V | 87 | Confident | 90.1 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 12% | 0.121 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -119.3 | 121.2 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L48 G52 Q56 M59 V79 | L48-V54 HydrophobicContact CB-CG2 4.07Å; G52-V54 PolarHBondContact O-N 2.99Å; V54-Q56 PolarHBondContact O-N 2.87Å; V54-M59 HydrophobicContact CG1-CB 4.39Å; V54-V79 HydrophobicContact CG1-CG2 4.4Å; V54-V79 HydrophobicContact CG2-CG1 3.53Å; V54-V79 HydrophobicContact CG2-CG2 4.22Å |
| 55 | E | 88.7 | Confident | 89.7 | Confident | 140 Ų | 140 | 63 Ų | 63 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | trans | -58.8 | 137.2 | 176 | -64.9 | -175.7 | -178 | 0 | 0 | 111.9 | K57 T58 M59 | E55-K57 PolarHBondContact O-N 2.7Å; E55-K57 VanDerWaalsContact O-N 3.17Å; E55-T58 WeakPolarHBondContact O-CB 3.25Å; E55-T58 PolarHBondContact O-N 2.83Å; E55-M59 PolarHBondContact O-N 2.7Å | ||
| 56 | Q | 88.7 | Confident | 89.3 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.7 | -35.9 | 179.1 | -66.8 | -175.8 | 8.6 | 0 | 0 | 112.7 | Y49 V54 M59 H60 | Y49-Q56 HydrophobicContact CE2-CG 4.26Å; V54-Q56 PolarHBondContact O-N 2.87Å; Q56-M59 PolarHBondContact O-N 3.34Å; Q56-H60 WeakPolarHBondContact O-CB 3.46Å; Q56-H60 PolarHBondContact O-CD2 2.89Å; Q56-H60 PolarHBondContact O-N 2.93Å |
| 57 | K | 90.7 | Very high | 88.9 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 74% | 0.739 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 177.8 | -173.6 | -179.2 | 178.4 | -175.7 | 0 | 111.8 | E55 H60 K61 | E55-K57 PolarHBondContact O-N 2.7Å; E55-K57 VanDerWaalsContact O-N 3.17Å; K57-H60 PolarHBondContact O-N 3.36Å; K57-K61 PolarHBondContact O-N 3.19Å |
| 58 | T | 89.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | E55 H60 K61 Y62 | E55-T58 WeakPolarHBondContact O-CB 3.25Å; E55-T58 PolarHBondContact O-N 2.83Å; T58-H60 VanDerWaalsContact C-N 3.34Å; T58-H60 PolarHBondContact O-N 3.42Å; T58-K61 WeakPolarHBondContact O-CB 3.29Å; T58-K61 PolarHBondContact O-N 2.92Å; T58-K61 VanDerWaalsContact O-N 3.16Å; T58-Y62 HydrophobicContact CG2-CD2 4.19Å; T58-Y62 HydrophobicContact CG2-CE1 4.31Å; T58-Y62 HydrophobicContact CG2-CE2 3.56Å; T58-Y62 PolarHBondContact O-N 2.87Å |
| 59 | M | 89 | Confident | 87.9 | Confident | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 176.4 | -168 | 64.1 | -153.1 | 0 | 0 | 112.6 | Y49 V54 E55 Q56 Y62 K63 A75 Y76 V79 | Y49-M59 HydrophobicContact CD2-CB 3.88Å; Y49-M59 HydrophobicContact CD2-CG 3.71Å; Y49-M59 HydrophobicContact CD2-SD 4.39Å; Y49-M59 HydrophobicContact CE2-CB 3.79Å; Y49-M59 HydrophobicContact CE2-CG 3.75Å; Y49-M59 HydrophobicContact CG-CG 4.33Å; V54-M59 HydrophobicContact CG1-CB 4.39Å; E55-M59 PolarHBondContact O-N 2.7Å; Q56-M59 PolarHBondContact O-N 3.34Å; M59-Y62 PolarHBondContact O-N 2.97Å; M59-K63 HydrophobicContact CE-CG 4.13Å; M59-K63 WeakPolarHBondContact O-CG 3.43Å; M59-K63 PolarHBondContact O-N 3.28Å; M59-A75 HydrophobicContact CE-CB 3.76Å; M59-A75 WeakPolarHBondContact CE-O 3.36Å; M59-Y76 HydrophobicContact CE-CD1 3.3Å; M59-Y76 HydrophobicContact CE-CE1 3.53Å; M59-Y76 HydrophobicContact CE-CG 3.86Å; M59-Y76 HydrophobicContact SD-CD1 4.08Å; M59-Y76 HydrophobicContact SD-CE1 4.31Å; M59-V79 HydrophobicContact SD-CG2 4.05Å |
| 60 | H | 88.6 | Confident | 87.2 | Confident | 104 Ų | 104 | 82.9 Ų | 82.9 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 173.8 | -85.1 | -60.7 | 0 | 0 | 0 | 112.5 | Q56 K57 T58 K63 Q64 | Q56-H60 WeakPolarHBondContact O-CB 3.46Å; Q56-H60 PolarHBondContact O-CD2 2.89Å; Q56-H60 PolarHBondContact O-N 2.93Å; K57-H60 PolarHBondContact O-N 3.36Å; T58-H60 VanDerWaalsContact C-N 3.34Å; T58-H60 PolarHBondContact O-N 3.42Å; H60-K63 PolarHBondContact O-N 2.84Å; H60-Q64 WeakPolarHBondContact O-CG 3.21Å; H60-Q64 PolarHBondContact O-N 3.06Å |
| 61 | K | 89.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 82 Ų | 82 | 50% | 0.504 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 173.7 | -177.8 | -176.4 | 171 | -173.8 | 0 | 110.9 | K57 T58 K63 Q64 E65 | K57-K61 PolarHBondContact O-N 3.19Å; T58-K61 WeakPolarHBondContact O-CB 3.29Å; T58-K61 PolarHBondContact O-N 2.92Å; T58-K61 VanDerWaalsContact O-N 3.16Å; K61-K63 VanDerWaalsContact C-N 3.34Å; K61-K63 PolarHBondContact O-N 2.84Å; K61-Q64 PolarHBondContact O-N 2.8Å; K61-Q64 VanDerWaalsContact O-N 3.11Å; K61-E65 WeakPolarHBondContact CE-OE1 3.26Å; K61-E65 HydrophobicContact CG-CG 4.45Å; K61-E65 IonicContact NZ-OE1 2.91Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.82Å |
| 62 | Y | 89.5 | Confident | 85.2 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 18% | 0.18 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 177.7 | -63.7 | -25.1 | 0 | 0 | 0 | 113.1 | T58 M59 Q64 E65 S66 W78 V79 | T58-Y62 HydrophobicContact CG2-CD2 4.19Å; T58-Y62 HydrophobicContact CG2-CE1 4.31Å; T58-Y62 HydrophobicContact CG2-CE2 3.56Å; T58-Y62 PolarHBondContact O-N 2.87Å; M59-Y62 PolarHBondContact O-N 2.97Å; Y62-Q64 VanDerWaalsContact C-N 3.34Å; Y62-Q64 PolarHBondContact O-N 2.98Å; Y62-E65 PolarHBondContact O-N 2.82Å; Y62-S66 VanDerWaalsContact O-CB 3.23Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3.13Å; Y62-S66 PolarHBondContact O-OG 3.1Å; Y62-W78 HydrophobicContact CD1-CE3 4.21Å; Y62-W78 HydrophobicContact CD2-CB 4.39Å; Y62-W78 HydrophobicContact CG-CB 4.24Å; Y62-V79 HydrophobicContact CD2-CG2 4.37Å |
| 63 | K | 87.3 | Confident | 84.3 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 172.4 | -75.9 | 179 | 178.2 | -179.2 | 0 | 112 | M59 H60 K61 S66 Q67 A75 | M59-K63 HydrophobicContact CE-CG 4.13Å; M59-K63 WeakPolarHBondContact O-CG 3.43Å; M59-K63 PolarHBondContact O-N 3.28Å; H60-K63 PolarHBondContact O-N 2.84Å; K61-K63 VanDerWaalsContact C-N 3.34Å; K61-K63 PolarHBondContact O-N 2.84Å; K63-S66 PolarHBondContact O-OG 2.71Å; K63-S66 VanDerWaalsContact O-OG 3.11Å; K63-Q67 WeakPolarHBondContact O-CB 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.41Å; K63-Q67 PolarHBondContact O-N 3.43Å; K63-Q67 VanDerWaalsContact O-N 3.16Å; K63-A75 HydrophobicContact CB-CB 4.31Å; K63-A75 HydrophobicContact CG-CB 3.56Å |
| 64 | Q | 87.1 | Confident | 83.7 | Confident | 106 Ų | 106 | 83.3 Ų | 83.3 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.8 | -43.7 | 178.1 | -69.6 | 178 | 19.5 | 0 | 0 | 112.5 | H60 K61 Y62 Q67 R68 | H60-Q64 WeakPolarHBondContact O-CG 3.21Å; H60-Q64 PolarHBondContact O-N 3.06Å; K61-Q64 PolarHBondContact O-N 2.8Å; K61-Q64 VanDerWaalsContact O-N 3.11Å; Y62-Q64 VanDerWaalsContact C-N 3.34Å; Y62-Q64 PolarHBondContact O-N 2.98Å; Q64-Q67 PolarHBondContact O-N 3.02Å; Q64-R68 WeakPolarHBondContact O-CG 3.44Å; Q64-R68 PolarHBondContact O-N 3.31Å; Q64-R68 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 85.7 | Confident | 83.7 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | -179.2 | -70 | 178.2 | 171.5 | 0 | 0 | 112 | K61 Y62 Q67 R68 L69 W78 | K61-E65 WeakPolarHBondContact CE-OE1 3.26Å; K61-E65 HydrophobicContact CG-CG 4.45Å; K61-E65 IonicContact NZ-OE1 2.91Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.82Å; Y62-E65 PolarHBondContact O-N 2.82Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 3.07Å; E65-R68 WeakPolarHBondContact O-CB 3.34Å; E65-R68 PolarHBondContact O-N 2.98Å; E65-R68 VanDerWaalsContact O-N 3.15Å; E65-L69 PolarHBondContact O-N 2.95Å; E65-W78 HydrophobicContact CB-CE3 4.39Å; E65-W78 HydrophobicContact CB-CH2 3.91Å; E65-W78 HydrophobicContact CB-CZ3 3.46Å; E65-W78 VanDerWaalsContact CB-CZ3 3.46Å |
| 66 | S | 84.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 175.7 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | Y62 K63 L69 G70 K71 | Y62-S66 VanDerWaalsContact O-CB 3.23Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3.13Å; Y62-S66 PolarHBondContact O-OG 3.1Å; K63-S66 PolarHBondContact O-OG 2.71Å; K63-S66 VanDerWaalsContact O-OG 3.11Å; S66-L69 PolarHBondContact O-N 3.37Å; S66-G70 PolarHBondContact O-N 3.2Å; S66-K71 WeakPolarHBondContact CB-O 3.42Å; S66-K71 CarbonylContact O-C 3.52Å; S66-K71 WeakPolarHBondContact O-CA 3.45Å; S66-K71 PolarHBondContact O-N 2.9Å |
| 67 | Q | 84.7 | Confident | 83.7 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 172.2 | -79.2 | 172.5 | 11.3 | 0 | 0 | 112.3 | K63 Q64 E65 L69 G70 | K63-Q67 WeakPolarHBondContact O-CB 3.29Å; K63-Q67 WeakPolarHBondContact O-CG 3.41Å; K63-Q67 PolarHBondContact O-N 3.43Å; K63-Q67 VanDerWaalsContact O-N 3.16Å; Q64-Q67 PolarHBondContact O-N 3.02Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 3.07Å; Q67-L69 VanDerWaalsContact C-N 3.25Å; Q67-L69 PolarHBondContact O-N 2.99Å; Q67-G70 PolarHBondContact O-N 2.78Å |
| 68 | R | 84.1 | Confident | 83.6 | Confident | 197 Ų | 197 | 63.4 Ų | 63.4 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -31.7 | 177.6 | -71.9 | 173.3 | -175.7 | 174.9 | 2.8 | 112.8 | Q64 E65 G70 | Q64-R68 WeakPolarHBondContact O-CG 3.44Å; Q64-R68 PolarHBondContact O-N 3.31Å; Q64-R68 VanDerWaalsContact O-N 3.12Å; E65-R68 WeakPolarHBondContact O-CB 3.34Å; E65-R68 PolarHBondContact O-N 2.98Å; E65-R68 VanDerWaalsContact O-N 3.15Å; R68-G70 VanDerWaalsContact C-N 3.31Å |
| 69 | L | 80.3 | Confident | 83.6 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.6 | 176.1 | -64.5 | -178.3 | 0 | 0 | 0 | 113.8 | E65 S66 Q67 K71 W78 | E65-L69 PolarHBondContact O-N 2.95Å; S66-L69 PolarHBondContact O-N 3.37Å; Q67-L69 VanDerWaalsContact C-N 3.25Å; Q67-L69 PolarHBondContact O-N 2.99Å; L69-K71 VanDerWaalsContact C-N 3.25Å; L69-K71 PolarHBondContact O-N 2.82Å; L69-W78 HydrophobicContact CD1-CH2 3.67Å; L69-W78 HydrophobicContact CD1-CZ2 3.79Å |
| 70 | G | 77.4 | Confident | 83.5 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S66 Q67 R68 | S66-G70 PolarHBondContact O-N 3.2Å; Q67-G70 PolarHBondContact O-N 2.78Å; R68-G70 VanDerWaalsContact C-N 3.31Å |
| 71 | K | 74 | Confident | 83.4 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | trans | -116.6 | 41.7 | -176 | -70 | -166.9 | -175.4 | -176.8 | 0 | 112 | S66 L69 S73 F74 R87 E88 R89 | S66-K71 WeakPolarHBondContact CB-O 3.42Å; S66-K71 CarbonylContact O-C 3.52Å; S66-K71 WeakPolarHBondContact O-CA 3.45Å; S66-K71 PolarHBondContact O-N 2.9Å; L69-K71 VanDerWaalsContact C-N 3.25Å; L69-K71 PolarHBondContact O-N 2.82Å; K71-S73 PolarHBondContact O-N 2.92Å; K71-F74 HydrophobicContact CB-CB 4.34Å; K71-F74 HydrophobicContact CB-CD2 3.68Å; K71-F74 HydrophobicContact CB-CE2 4.45Å; K71-F74 HydrophobicContact CB-CG 4.38Å; K71-F74 HydrophobicContact CD-CD2 4.32Å; K71-F74 HydrophobicContact CG-CD2 4.14Å; K71-F74 HydrophobicContact CG-CE2 4.49Å; K71-F74 WeakPolarHBondContact O-CB 3.41Å; K71-F74 PolarHBondContact O-N 2.78Å; K71-R87 PolarHBondContact NZ-O 2.85Å; K71-E88 PolarHBondContact NZ-O 2.81Å; K71-R89 VanDerWaalsContact NZ-C 3.26Å | ||
| 72 | S | 65.8 | Low | 83 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -55.5 | -29.9 | -172.4 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | F74 | S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.4Å |
| 73 | S | 69.2 | Low | 82.7 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 42% | 0.42 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -73 | -15.4 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | K71 | K71-S73 PolarHBondContact O-N 2.92Š|
| 74 | F | 76.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 34% | 0.338 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -95.3 | 5.9 | -173.7 | -64.5 | -88 | 0 | 0 | 0 | 113.9 | K71 S72 Y76 A77 W78 | K71-F74 HydrophobicContact CB-CB 4.34Å; K71-F74 HydrophobicContact CB-CD2 3.68Å; K71-F74 HydrophobicContact CB-CE2 4.45Å; K71-F74 HydrophobicContact CB-CG 4.38Å; K71-F74 HydrophobicContact CD-CD2 4.32Å; K71-F74 HydrophobicContact CG-CD2 4.14Å; K71-F74 HydrophobicContact CG-CE2 4.49Å; K71-F74 WeakPolarHBondContact O-CB 3.41Å; K71-F74 PolarHBondContact O-N 2.78Å; S72-F74 VanDerWaalsContact C-N 3.28Å; S72-F74 PolarHBondContact O-N 3.4Å; F74-Y76 PolarHBondContact O-N 2.76Å; F74-A77 WeakPolarHBondContact O-CB 3.34Å; F74-A77 PolarHBondContact O-N 2.83Å; F74-W78 VanDerWaalsContact O-CD1 3.24Å; F74-W78 PolarHBondContact O-N 2.81Å |
| 75 | A | 85.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M59 K63 | M59-A75 HydrophobicContact CE-CB 3.76Å; M59-A75 WeakPolarHBondContact CE-O 3.36Å; K63-A75 HydrophobicContact CB-CB 4.31Å; K63-A75 HydrophobicContact CG-CB 3.56Å |
| 76 | Y | 89.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 11% | 0.106 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35.3 | 176.2 | -65.2 | -67.8 | 0 | 0 | 0 | 113 | T42 G45 H46 Y49 M59 F74 W78 V79 | T42-Y76 HydrophobicContact CG2-CD2 4.36Å; G45-Y76 WeakPolarHBondContact CA-O 3.37Å; H46-Y76 HydrophobicContact CB-CD1 3.76Å; H46-Y76 HydrophobicContact CB-CD2 4.2Å; H46-Y76 HydrophobicContact CB-CE1 4.03Å; H46-Y76 HydrophobicContact CB-CE2 4.46Å; H46-Y76 HydrophobicContact CB-CG 3.84Å; H46-Y76 AromaticContact CD2-CE1 3.36Å; H46-Y76 WeakPolarHBondContact CD2-CE1 3.35Å; H46-Y76 AromaticContact CD2-CZ 3.48Å; H46-Y76 VanDerWaalsContact CD2-CZ 3.48Å; H46-Y76 AromaticContact CE1-CE2 3.89Å; H46-Y76 AromaticContact CE1-CZ 3.63Å; H46-Y76 PolarHBondContact CE1-OH 2.81Å; H46-Y76 AromaticContact CG-CD1 3.93Å; H46-Y76 AromaticContact CG-CE1 3.66Å; H46-Y76 AromaticContact CG-CE2 3.96Å; H46-Y76 AromaticContact CG-CZ 3.68Å; H46-Y76 AromaticContact ND1-CE2 3.75Å; H46-Y76 AromaticContact ND1-CZ 3.76Å; H46-Y76 AromaticContact NE2-CE1 3.8Å; H46-Y76 AromaticContact NE2-CZ 3.43Å; H46-Y76 PolarHBondContact NE2-OH 2.74Å; Y49-Y76 AromaticContact CD1-CE1 3.96Å; Y49-Y76 HydrophobicContact CD1-CE1 3.96Å; Y49-Y76 HydrophobicContact CG-CE1 4.23Å; M59-Y76 HydrophobicContact CE-CD1 3.3Å; M59-Y76 HydrophobicContact CE-CE1 3.53Å; M59-Y76 HydrophobicContact CE-CG 3.86Å; M59-Y76 HydrophobicContact SD-CD1 4.08Å; M59-Y76 HydrophobicContact SD-CE1 4.31Å; F74-Y76 PolarHBondContact O-N 2.76Å; Y76-W78 PolarHBondContact O-N 3.43Å; Y76-V79 VanDerWaalsContact O-CB 3.3Å; Y76-V79 WeakPolarHBondContact O-CB 3.35Å; Y76-V79 WeakPolarHBondContact O-CG2 3.26Å; Y76-V79 PolarHBondContact O-N 2.87Å |
| 77 | A | 88.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.9 | -31 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F74 V79 L80 D81 | F74-A77 WeakPolarHBondContact O-CB 3.34Å; F74-A77 PolarHBondContact O-N 2.83Å; A77-V79 PolarHBondContact O-N 3.35Å; A77-V79 VanDerWaalsContact O-N 3.11Å; A77-L80 PolarHBondContact O-N 2.99Å; A77-D81 PolarHBondContact O-N 3.05Å |
| 78 | W | 88.1 | Confident | 82.5 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.038 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -65.2 | -13.5 | 177.9 | -74.1 | 35 | 0 | 0 | 0 | 114.6 | Y62 E65 L69 F74 Y76 R87 | Y62-W78 HydrophobicContact CD1-CE3 4.21Å; Y62-W78 HydrophobicContact CD2-CB 4.39Å; Y62-W78 HydrophobicContact CG-CB 4.24Å; E65-W78 HydrophobicContact CB-CE3 4.39Å; E65-W78 HydrophobicContact CB-CH2 3.91Å; E65-W78 HydrophobicContact CB-CZ3 3.46Å; E65-W78 VanDerWaalsContact CB-CZ3 3.46Å; L69-W78 HydrophobicContact CD1-CH2 3.67Å; L69-W78 HydrophobicContact CD1-CZ2 3.79Å; F74-W78 VanDerWaalsContact O-CD1 3.24Å; F74-W78 PolarHBondContact O-N 2.81Å; Y76-W78 PolarHBondContact O-N 3.43Å; W78-R87 HydrophobicContact CD2-CG 4.04Å; W78-R87 HydrophobicContact CE3-CG 4.45Å; W78-R87 HydrophobicContact CG-CG 4.32Å; W78-R87 HydrophobicContact CZ2-CB 4.04Å; W78-R87 HydrophobicContact CZ2-CG 4.35Å; W78-R87 PolarHBondContact O-NH2 2.85Å |
| 79 | V | 88 | Confident | 82.5 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -63.5 | -34.4 | 170.1 | 175 | 0 | 0 | 0 | 0 | 110.7 | L48 V54 M59 Y62 Y76 A77 | L48-V79 HydrophobicContact CD1-CG1 3.98Å; V54-V79 HydrophobicContact CG1-CG2 4.4Å; V54-V79 HydrophobicContact CG2-CG1 3.53Å; V54-V79 HydrophobicContact CG2-CG2 4.22Å; M59-V79 HydrophobicContact SD-CG2 4.05Å; Y62-V79 HydrophobicContact CD2-CG2 4.37Å; Y76-V79 VanDerWaalsContact O-CB 3.3Å; Y76-V79 WeakPolarHBondContact O-CB 3.35Å; Y76-V79 WeakPolarHBondContact O-CG2 3.26Å; Y76-V79 PolarHBondContact O-N 2.87Å; A77-V79 PolarHBondContact O-N 3.35Å; A77-V79 VanDerWaalsContact O-N 3.11Å |
| 80 | L | 86.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -35.1 | -176 | -64 | 169.8 | 0 | 0 | 0 | 112.3 | M44 L48 A77 E82 A96 T98 L109 D111 | M44-L80 HydrophobicContact CB-CD1 3.62Å; L48-L80 HydrophobicContact CD1-CD2 3.85Å; L48-L80 HydrophobicContact CD1-CG 4.41Å; A77-L80 PolarHBondContact O-N 2.99Å; L80-E82 PolarHBondContact O-N 2.61Å; L80-A96 HydrophobicContact CB-CB 4.22Å; L80-A96 HydrophobicContact CD2-CB 4.31Å; L80-A96 WeakPolarHBondContact O-CB 3.44Å; L80-T98 WeakPolarHBondContact CD2-OG1 3.29Å; L80-L109 HydrophobicContact CD1-CD2 4.4Å; L80-L109 HydrophobicContact CD2-CD2 4.31Å; L80-D111 HydrophobicContact CD1-CB 4.08Å |
| 81 | D | 86.8 | Confident | 82.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -76.6 | 93.5 | 176.1 | -64.1 | -23.6 | 0 | 0 | 0 | 109.3 | A77 E86 R87 T92 | A77-D81 PolarHBondContact O-N 3.05Å; D81-E86 HydrophobicContact CB-CB 3.88Å; D81-R87 HydrophobicContact CB-CG 4.4Å; D81-R87 PolarHBondContact O-NE 2.89Å; D81-R87 PolarHBondContact O-NH2 3.46Å; D81-R87 VanDerWaalsContact O-NH2 3.15Å; D81-T92 PolarHBondContact OD1-OG1 2.98Å | ||
| 82 | E | 81.6 | Confident | 83.3 | Confident | 155 Ų | 155 | 52.3 Ų | 52.3 | 72% | 0.724 | 27% | 0.272 | S | S | * | . | trans | -83.1 | -34.2 | -178.1 | -68.2 | -170 | 164.9 | 0 | 0 | 112.7 | L80 | L80-E82 PolarHBondContact O-N 2.61Š| ||
| 83 | S | 84.5 | Confident | 84 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -75.2 | 148.4 | -173.9 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | E85 E86 R87 | S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 PolarHBondContact O-N 2.77Å; S83-E86 WeakPolarHBondContact CB-OE2 3.36Å; S83-E86 PolarHBondContact N-OE2 2.8Å; S83-E86 PolarHBondContact O-N 3.45Å; S83-E86 VanDerWaalsContact OG-CB 3.27Å; S83-E86 WeakPolarHBondContact OG-CB 3.02Å; S83-E86 WeakPolarHBondContact OG-CG 3.1Å; S83-E86 PolarHBondContact OG-N 2.94Å; S83-E86 PolarHBondContact OG-OE2 3.41Å; S83-R87 WeakPolarHBondContact O-CG 3.31Å; S83-R87 PolarHBondContact O-N 3Å |
| 84 | S | 83.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 56% | 0.559 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 176 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | R87 E88 | S84-R87 PolarHBondContact O-N 2.79Å; S84-E88 WeakPolarHBondContact O-CB 3.32Å; S84-E88 VanDerWaalsContact O-CG 3.3Å; S84-E88 WeakPolarHBondContact O-CG 3.33Å; S84-E88 PolarHBondContact O-N 3.27Å |
| 85 | E | 85.3 | Confident | 84.6 | Confident | 106 Ų | 106 | 48.3 Ų | 48.3 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 179.3 | -61.4 | -172.6 | -174.9 | 0 | 0 | 112.7 | S83 E88 R89 M93 | S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 PolarHBondContact O-N 2.77Å; E85-E88 PolarHBondContact O-N 2.94Å; E85-R89 WeakPolarHBondContact O-CB 3.26Å; E85-R89 WeakPolarHBondContact O-CG 3.39Å; E85-R89 PolarHBondContact O-N 3.47Å; E85-M93 HydrophobicContact CB-CE 3.25Å; E85-M93 HydrophobicContact CG-CE 4.41Å |
| 86 | E | 86.4 | Confident | 84.4 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.1 | -74.2 | 168.2 | 140.2 | 0 | 0 | 111 | D81 S83 R89 G90 I91 M93 D94 | D81-E86 HydrophobicContact CB-CB 3.88Å; S83-E86 WeakPolarHBondContact CB-OE2 3.36Å; S83-E86 PolarHBondContact N-OE2 2.8Å; S83-E86 PolarHBondContact O-N 3.45Å; S83-E86 VanDerWaalsContact OG-CB 3.27Å; S83-E86 WeakPolarHBondContact OG-CB 3.02Å; S83-E86 WeakPolarHBondContact OG-CG 3.1Å; S83-E86 PolarHBondContact OG-N 2.94Å; S83-E86 PolarHBondContact OG-OE2 3.41Å; E86-R89 PolarHBondContact O-N 2.97Å; E86-G90 VanDerWaalsContact O-CA 3.3Å; E86-G90 WeakPolarHBondContact O-CA 3.4Å; E86-G90 PolarHBondContact O-N 3.09Å; E86-I91 WeakPolarHBondContact CA-O 3.49Å; E86-I91 WeakPolarHBondContact CG-O 3.4Å; E86-I91 PolarHBondContact O-N 2.91Å; E86-M93 HydrophobicContact CG-CB 3.93Å; E86-M93 HydrophobicContact CG-CE 3.77Å; E86-M93 HydrophobicContact CG-CG 3.91Å; E86-M93 PolarHBondContact OE1-N 2.78Å; E86-D94 PolarHBondContact OE1-N 3.04Å |
| 87 | R | 85.1 | Confident | 84.1 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 178.4 | -67.1 | 175.4 | -179.8 | 175.6 | 1 | 112 | K71 W78 D81 S83 S84 | K71-R87 PolarHBondContact NZ-O 2.85Å; W78-R87 HydrophobicContact CD2-CG 4.04Å; W78-R87 HydrophobicContact CE3-CG 4.45Å; W78-R87 HydrophobicContact CG-CG 4.32Å; W78-R87 HydrophobicContact CZ2-CB 4.04Å; W78-R87 HydrophobicContact CZ2-CG 4.35Å; W78-R87 PolarHBondContact O-NH2 2.85Å; D81-R87 HydrophobicContact CB-CG 4.4Å; D81-R87 PolarHBondContact O-NE 2.89Å; D81-R87 PolarHBondContact O-NH2 3.46Å; D81-R87 VanDerWaalsContact O-NH2 3.15Å; S83-R87 WeakPolarHBondContact O-CG 3.31Å; S83-R87 PolarHBondContact O-N 3Å; S84-R87 PolarHBondContact O-N 2.79Å |
| 88 | E | 84.8 | Confident | 84 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 65% | 0.65 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 178 | -78.9 | 178.2 | -163.1 | 0 | 0 | 112.8 | K71 S84 E85 | K71-E88 PolarHBondContact NZ-O 2.81Å; S84-E88 WeakPolarHBondContact O-CB 3.32Å; S84-E88 VanDerWaalsContact O-CG 3.3Å; S84-E88 WeakPolarHBondContact O-CG 3.33Å; S84-E88 PolarHBondContact O-N 3.27Å; E85-E88 PolarHBondContact O-N 2.94Å |
| 89 | R | 83.2 | Confident | 84.1 | Confident | 155 Ų | 155 | 57.9 Ų | 57.9 | 59% | 0.585 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -84.2 | -25.4 | 178.4 | -63.7 | -178 | 175.8 | 169.8 | 2.9 | 113.2 | K71 E85 E86 I91 | K71-R89 VanDerWaalsContact NZ-C 3.26Å; E85-R89 WeakPolarHBondContact O-CB 3.26Å; E85-R89 WeakPolarHBondContact O-CG 3.39Å; E85-R89 PolarHBondContact O-N 3.47Å; E86-R89 PolarHBondContact O-N 2.97Å; R89-I91 VanDerWaalsContact C-N 3.32Å; R89-I91 HydrophobicContact CB-CD1 4.35Å; R89-I91 HydrophobicContact CB-CG1 3.63Å |
| 90 | G | 81.8 | Confident | 84.2 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 29.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E86 | E86-G90 VanDerWaalsContact O-CA 3.3Å; E86-G90 WeakPolarHBondContact O-CA 3.4Å; E86-G90 PolarHBondContact O-N 3.09Å |
| 91 | I | 83.2 | Confident | 84.3 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -133.9 | 133.2 | 176.6 | 53.7 | 161.9 | 0 | 0 | 0 | 109.1 | V36 E86 R89 M93 F118 | V36-I91 HydrophobicContact CG1-CG2 3.96Å; E86-I91 WeakPolarHBondContact CA-O 3.49Å; E86-I91 WeakPolarHBondContact CG-O 3.4Å; E86-I91 PolarHBondContact O-N 2.91Å; R89-I91 VanDerWaalsContact C-N 3.32Å; R89-I91 HydrophobicContact CB-CD1 4.35Å; R89-I91 HydrophobicContact CB-CG1 3.63Å; I91-M93 HydrophobicContact CD1-CG 4.41Å; I91-M93 HydrophobicContact CG1-CG 4.37Å; I91-F118 HydrophobicContact CD1-CE2 3.85Å |
| 92 | T | 83.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | trans | -68.2 | 130.6 | 170.1 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | S41 D81 D94 P113 | S41-T92 PolarHBondContact OG-OG1 2.82Å; D81-T92 PolarHBondContact OD1-OG1 2.98Å; T92-D94 VanDerWaalsContact CG2-O 3.26Å; T92-D94 WeakPolarHBondContact CG2-O 3.46Å; T92-P113 WeakPolarHBondContact O-CB 2.99Å | ||
| 93 | M | 80.4 | Confident | 84.8 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | trans | -115.2 | -44 | -176.4 | -62.1 | -165.6 | -68.4 | 0 | 0 | 110.6 | E85 E86 I91 F118 N121 | E85-M93 HydrophobicContact CB-CE 3.25Å; E85-M93 HydrophobicContact CG-CE 4.41Å; E86-M93 HydrophobicContact CG-CB 3.93Å; E86-M93 HydrophobicContact CG-CE 3.77Å; E86-M93 HydrophobicContact CG-CG 3.91Å; E86-M93 PolarHBondContact OE1-N 2.78Å; I91-M93 HydrophobicContact CD1-CG 4.41Å; I91-M93 HydrophobicContact CG1-CG 4.37Å; M93-F118 HydrophobicContact CB-CD1 4.29Å; M93-F118 HydrophobicContact CB-CD2 4.43Å; M93-F118 HydrophobicContact CB-CE1 4.01Å; M93-F118 HydrophobicContact CB-CE2 4.24Å; M93-F118 HydrophobicContact CB-CZ 4.02Å; M93-F118 HydrophobicContact CG-CD2 4.21Å; M93-F118 HydrophobicContact CG-CE1 4.13Å; M93-F118 HydrophobicContact CG-CE2 3.65Å; M93-F118 HydrophobicContact CG-CZ 3.6Å; M93-F118 HydrophobicContact SD-CE1 4.24Å; M93-F118 HydrophobicContact SD-CE2 4.09Å; M93-F118 HydrophobicContact SD-CZ 3.58Å; M93-F118 VanDerWaalsContact SD-CZ 3.58Å; M93-N121 PolarHBondContact O-ND2 2.83Å | ||
| 94 | D | 79.3 | Confident | 85 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -107.3 | 167.7 | 177.7 | -70.5 | -43.4 | 0 | 0 | 0 | 111.4 | E86 T92 N121 | E86-D94 PolarHBondContact OE1-N 3.04Å; T92-D94 VanDerWaalsContact CG2-O 3.26Å; T92-D94 WeakPolarHBondContact CG2-O 3.46Å; D94-N121 PolarHBondContact OD1-ND2 3.42Å |
| 95 | I | 79.4 | Confident | 85.3 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | trans | -89.6 | 115.8 | 179.5 | -67.2 | 162.9 | 0 | 0 | 0 | 109 | L110 D111 N121 M124 | I95-L110 HydrophobicContact CG2-CB 4.08Å; I95-L110 HydrophobicContact CG2-CD2 4.38Å; I95-D111 WeakPolarHBondContact CA-O 3.45Å; I95-N121 WeakPolarHBondContact CD1-O 3.4Å; I95-M124 HydrophobicContact CB-CE 4.38Å; I95-M124 HydrophobicContact CD1-CB 4.07Å; I95-M124 HydrophobicContact CD1-CE 3.65Å; I95-M124 HydrophobicContact CD1-CG 4.25Å; I95-M124 HydrophobicContact CG1-CE 4.3Å | ||
| 96 | A | 82.1 | Confident | 85.4 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 138.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L80 D111 | L80-A96 HydrophobicContact CB-CB 4.22Å; L80-A96 HydrophobicContact CD2-CB 4.31Å; L80-A96 WeakPolarHBondContact O-CB 3.44Å; A96-D111 PolarHBondContact O-N 3Å; A96-D111 VanDerWaalsContact O-N 3.12Å |
| 97 | Q | 83.7 | Confident | 85.6 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.2 | 172.4 | -54.1 | -163.9 | 3.2 | 0 | 0 | 109.4 | L109 L110 | Q97-L109 VanDerWaalsContact CA-O 3.3Å; Q97-L109 WeakPolarHBondContact CA-O 3.45Å; Q97-L110 HydrophobicContact CB-CD2 4.29Å; Q97-L110 HydrophobicContact CG-CD2 3.59Å |
| 98 | T | 86.9 | Confident | 85.8 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 157.4 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 109.5 | L48 L80 I108 L109 | L48-T98 HydrophobicContact CD1-CG2 3.82Å; L48-T98 HydrophobicContact CD2-CG2 3.89Å; L80-T98 WeakPolarHBondContact CD2-OG1 3.29Å; T98-I108 CarbonylContact O-C 3.59Å; T98-L109 PolarHBondContact N-O 3.08Å; T98-L109 WeakPolarHBondContact O-CB 3.25Å; T98-L109 PolarHBondContact O-N 3.27Å |
| 99 | R | 88.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 45.6 Ų | 45.6 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.3 | 177.3 | -63.2 | -179 | 179.8 | 176.6 | -0.6 | 110.7 | N53 F107 I108 | N53-R99 PolarHBondContact ND2-O 3.32Å; R99-F107 VanDerWaalsContact CA-O 3.31Å; R99-F107 WeakPolarHBondContact CA-O 3.2Å; R99-I108 HydrophobicContact CG-CG1 4.32Å |
| 100 | F | 90.8 | Very high | 86.5 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 159.2 | 167.5 | 71.6 | -89.4 | 0 | 0 | 0 | 109.8 | L30 L48 L51 T102 F107 L109 I238 L241 | L30-F100 HydrophobicContact CD2-CE1 4.18Å; L30-F100 HydrophobicContact CD2-CZ 3.98Å; L48-F100 HydrophobicContact CD2-CB 3.89Å; L48-F100 HydrophobicContact CD2-CD1 4.42Å; L51-F100 HydrophobicContact CD1-CB 3.84Å; L51-F100 HydrophobicContact CD1-CD2 3.7Å; L51-F100 HydrophobicContact CD1-CG 4.03Å; F100-T102 HydrophobicContact CD2-CG2 4.42Å; F100-T102 HydrophobicContact CE2-CG2 4.04Å; F100-F107 HydrophobicContact CD1-CB 3.91Å; F100-F107 HydrophobicContact CD2-CB 4.2Å; F100-F107 HydrophobicContact CD2-CD2 4.35Å; F100-F107 HydrophobicContact CE1-CB 3.44Å; F100-F107 VanDerWaalsContact CE1-CB 3.44Å; F100-F107 HydrophobicContact CE1-CG 4.19Å; F100-F107 HydrophobicContact CE2-CB 3.76Å; F100-F107 AromaticContact CE2-CD2 3.58Å; F100-F107 HydrophobicContact CE2-CD2 3.58Å; F100-F107 HydrophobicContact CE2-CE2 4.45Å; F100-F107 AromaticContact CE2-CG 3.88Å; F100-F107 HydrophobicContact CE2-CG 3.88Å; F100-F107 HydrophobicContact CG-CB 4.27Å; F100-F107 HydrophobicContact CZ-CB 3.35Å; F100-F107 HydrophobicContact CZ-CD1 4.41Å; F100-F107 AromaticContact CZ-CD2 3.78Å; F100-F107 HydrophobicContact CZ-CD2 3.78Å; F100-F107 AromaticContact CZ-CG 3.6Å; F100-F107 HydrophobicContact CZ-CG 3.6Å; F100-F107 PolarHBondContact N-O 3.03Å; F100-F107 PolarHBondContact O-N 2.88Å; F100-L109 HydrophobicContact CD1-CB 4.2Å; F100-L109 HydrophobicContact CE1-CB 4.09Å; F100-L109 HydrophobicContact CE1-CD1 4.39Å; F100-I238 HydrophobicContact CD2-CD1 4.35Å; F100-I238 HydrophobicContact CE2-CD1 4.03Å; F100-L241 HydrophobicContact CE2-CD1 4.38Å; F100-L241 HydrophobicContact CZ-CD1 4.1Å |
| 101 | E | 89.7 | Confident | 86.8 | Confident | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.6 | -177.4 | -71.7 | 173.4 | -122.8 | 0 | 0 | 112.1 | D23 K25 | D23-E101 VanDerWaalsContact OD2-OE1 3.1Å; K25-E101 IonicContact NZ-OE2 2.83Å; K25-E101 PolarHBondContact NZ-OE2 2.95Å |
| 102 | T | 90.6 | Very high | 86.9 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | trans | -117.4 | -173.8 | 164.9 | 64.6 | 0 | 0 | 0 | 0 | 109.4 | K25 F100 F105 F107 I238 D242 | K25-T102 WeakPolarHBondContact CE-O 3.41Å; K25-T102 PolarHBondContact NZ-O 3.13Å; F100-T102 HydrophobicContact CD2-CG2 4.42Å; F100-T102 HydrophobicContact CE2-CG2 4.04Å; T102-F105 PolarHBondContact N-O 3.34Å; T102-F105 PolarHBondContact OG1-N 3.44Å; T102-F105 PolarHBondContact OG1-O 3.4Å; T102-F107 HydrophobicContact CG2-CD2 3.9Å; T102-F107 HydrophobicContact CG2-CE2 3.75Å; T102-I238 HydrophobicContact CG2-CD1 4.1Å; T102-I238 HydrophobicContact CG2-CG2 4.09Å; T102-D242 WeakPolarHBondContact CB-OD1 3.42Å; T102-D242 HydrophobicContact CG2-CB 4.32Å; T102-D242 PolarHBondContact OG1-OD1 2.92Å | ||
| 103 | E | 88.4 | Confident | 87 | Confident | 153 Ų | 153 | 34.8 Ų | 34.8 | 72% | 0.715 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -62.7 | -43.4 | 178.8 | -172.6 | 175.1 | 177.9 | 0 | 0 | 111.4 | D242 | E103-D242 PolarHBondContact N-OD1 2.79Š|
| 104 | H | 88.8 | Confident | 87 | Confident | 85 Ų | 85 | 34.5 Ų | 34.5 | 39% | 0.394 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -105.8 | -15.4 | -173.1 | -58.3 | 94.3 | 0 | 0 | 0 | 115 | P26 D242 | P26-H104 VanDerWaalsContact CD-O 3.24Å; P26-H104 WeakPolarHBondContact CD-O 3.45Å; P26-H104 VanDerWaalsContact CG-O 3.28Å; P26-H104 WeakPolarHBondContact CG-O 3.38Å; H104-D242 WeakPolarHBondContact CB-OD1 3.47Å; H104-D242 IonicContact CE1-OD2 3.53Å; H104-D242 IonicContact CG-OD1 3.84Å; H104-D242 IonicContact CG-OD2 3.76Å; H104-D242 PolarHBondContact N-OD1 2.78Å; H104-D242 IonicContact ND1-OD1 3.5Å; H104-D242 IonicContact ND1-OD2 2.69Å; H104-D242 PolarHBondContact ND1-OD2 3.32Å |
| 105 | F | 88.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.022 | 16% | 0.16 | C | C | . | . | trans | -136.5 | 153.3 | -172.3 | -65.8 | -81.2 | 0 | 0 | 0 | 112.8 | P26 L28 T102 F107 D242 M244 R246 | P26-F105 HydrophobicContact CB-CD1 3.89Å; P26-F105 HydrophobicContact CB-CE1 4.04Å; P26-F105 HydrophobicContact CG-CD1 3.52Å; P26-F105 HydrophobicContact CG-CE1 3.67Å; P26-F105 HydrophobicContact CG-CG 4.4Å; P26-F105 WeakPolarHBondContact O-CA 3.49Å; L28-F105 HydrophobicContact CD1-CD1 3.37Å; L28-F105 HydrophobicContact CD1-CD2 4.38Å; L28-F105 HydrophobicContact CD1-CE1 3.44Å; L28-F105 VanDerWaalsContact CD1-CE1 3.44Å; L28-F105 HydrophobicContact CD1-CE2 4.43Å; L28-F105 HydrophobicContact CD1-CG 3.87Å; L28-F105 HydrophobicContact CD1-CZ 3.99Å; L28-F105 HydrophobicContact CG-CD1 3.67Å; L28-F105 HydrophobicContact CG-CE1 3.94Å; L28-F105 HydrophobicContact CG-CG 4.44Å; T102-F105 PolarHBondContact N-O 3.34Å; T102-F105 PolarHBondContact OG1-N 3.44Å; T102-F105 PolarHBondContact OG1-O 3.4Å; F105-F107 HydrophobicContact CB-CD2 4.06Å; F105-F107 HydrophobicContact CB-CE2 3.57Å; F105-F107 HydrophobicContact CB-CZ 3.99Å; F105-F107 HydrophobicContact CD2-CZ 4.45Å; F105-F107 HydrophobicContact CG-CE2 4.33Å; F105-F107 HydrophobicContact CG-CZ 4.33Å; F105-D242 WeakPolarHBondContact CE2-O 3.17Å; F105-M244 WeakPolarHBondContact CZ-O 3.25Å; F105-R246 HydrophobicContact CE1-CG 3.69Å; F105-R246 HydrophobicContact CZ-CG 3.52Å | ||
| 106 | S | 88.5 | Confident | 87 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.8 | 160.8 | -174.9 | 0 | 0 | 0 | 0 | 108 | P26 I27 L28 | P26-S106 PolarHBondContact O-N 3.16Å; I27-S106 CarbonylContact C-O 3.59Å; I27-S106 VanDerWaalsContact CA-O 3.25Å; I27-S106 WeakPolarHBondContact CA-O 3.28Å; L28-S106 PolarHBondContact N-O 3.01Å |
| 107 | F | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.6 | -177.6 | -76.7 | -82.2 | 0 | 0 | 0 | 111.2 | L28 L30 R99 F100 T102 F105 L241 | L28-F107 HydrophobicContact CB-CD1 3.82Å; L28-F107 HydrophobicContact CB-CE1 3.7Å; L28-F107 HydrophobicContact CD1-CE1 3.88Å; L28-F107 HydrophobicContact CD1-CZ 4.08Å; L28-F107 HydrophobicContact CG-CE1 4.44Å; L28-F107 CarbonylContact O-C 3.47Å; L28-F107 VanDerWaalsContact O-CA 3.3Å; L28-F107 WeakPolarHBondContact O-CA 3.37Å; L30-F107 HydrophobicContact CB-CD1 3.96Å; R99-F107 VanDerWaalsContact CA-O 3.31Å; R99-F107 WeakPolarHBondContact CA-O 3.2Å; F100-F107 HydrophobicContact CD1-CB 3.91Å; F100-F107 HydrophobicContact CD2-CB 4.2Å; F100-F107 HydrophobicContact CD2-CD2 4.35Å; F100-F107 HydrophobicContact CE1-CB 3.44Å; F100-F107 VanDerWaalsContact CE1-CB 3.44Å; F100-F107 HydrophobicContact CE1-CG 4.19Å; F100-F107 HydrophobicContact CE2-CB 3.76Å; F100-F107 AromaticContact CE2-CD2 3.58Å; F100-F107 HydrophobicContact CE2-CD2 3.58Å; F100-F107 HydrophobicContact CE2-CE2 4.45Å; F100-F107 AromaticContact CE2-CG 3.88Å; F100-F107 HydrophobicContact CE2-CG 3.88Å; F100-F107 HydrophobicContact CG-CB 4.27Å; F100-F107 HydrophobicContact CZ-CB 3.35Å; F100-F107 HydrophobicContact CZ-CD1 4.41Å; F100-F107 AromaticContact CZ-CD2 3.78Å; F100-F107 HydrophobicContact CZ-CD2 3.78Å; F100-F107 AromaticContact CZ-CG 3.6Å; F100-F107 HydrophobicContact CZ-CG 3.6Å; F100-F107 PolarHBondContact N-O 3.03Å; F100-F107 PolarHBondContact O-N 2.88Å; T102-F107 HydrophobicContact CG2-CD2 3.9Å; T102-F107 HydrophobicContact CG2-CE2 3.75Å; F105-F107 HydrophobicContact CB-CD2 4.06Å; F105-F107 HydrophobicContact CB-CE2 3.57Å; F105-F107 HydrophobicContact CB-CZ 3.99Å; F105-F107 HydrophobicContact CD2-CZ 4.45Å; F105-F107 HydrophobicContact CG-CE2 4.33Å; F105-F107 HydrophobicContact CG-CZ 4.33Å; F107-L241 HydrophobicContact CE2-CB 4.3Å; F107-L241 HydrophobicContact CZ-CB 4.21Å; F107-L241 WeakPolarHBondContact CZ-O 3.09Å |
| 108 | I | 89.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 107.1 | 162.1 | -56.2 | -178.8 | 0 | 0 | 0 | 107.2 | I27 L28 L30 T98 R99 L110 | I27-I108 HydrophobicContact CG2-CD1 3.82Å; I27-I108 HydrophobicContact CG2-CG1 3.87Å; L28-I108 PolarHBondContact O-N 3.22Å; L30-I108 PolarHBondContact N-O 2.72Å; T98-I108 CarbonylContact O-C 3.59Å; R99-I108 HydrophobicContact CG-CG1 4.32Å; I108-L110 HydrophobicContact CG2-CD2 4.21Å |
| 109 | L | 91.8 | Very high | 86.1 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.9 | 176.2 | -178.7 | 68.5 | 0 | 0 | 0 | 110.4 | L30 V32 M44 L48 L80 Q97 T98 F100 | L30-L109 HydrophobicContact CD2-CD1 4.12Å; L30-L109 HydrophobicContact CG-CD1 4.43Å; L30-L109 CarbonylContact O-C 3.6Å; V32-L109 HydrophobicContact CG2-CD1 3.43Å; V32-L109 VanDerWaalsContact CG2-CD1 3.43Å; M44-L109 HydrophobicContact CB-CD2 3.9Å; M44-L109 HydrophobicContact CG-CD1 4.16Å; M44-L109 HydrophobicContact CG-CD2 4.12Å; M44-L109 HydrophobicContact SD-CD1 3.71Å; M44-L109 HydrophobicContact SD-CD2 4.27Å; L48-L109 HydrophobicContact CD1-CD2 4.26Å; L80-L109 HydrophobicContact CD1-CD2 4.4Å; L80-L109 HydrophobicContact CD2-CD2 4.31Å; Q97-L109 VanDerWaalsContact CA-O 3.3Å; Q97-L109 WeakPolarHBondContact CA-O 3.45Å; T98-L109 PolarHBondContact N-O 3.08Å; T98-L109 WeakPolarHBondContact O-CB 3.25Å; T98-L109 PolarHBondContact O-N 3.27Å; F100-L109 HydrophobicContact CD1-CB 4.2Å; F100-L109 HydrophobicContact CE1-CB 4.09Å; F100-L109 HydrophobicContact CE1-CD1 4.39Å |
| 110 | L | 89.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 99.2 | 172.2 | -53.3 | 177.2 | 0 | 0 | 0 | 108 | L30 V31 V32 I95 Q97 I108 A112 G125 Q128 A129 | L30-L110 PolarHBondContact O-N 3.41Å; V31-L110 WeakPolarHBondContact CA-O 3.47Å; V31-L110 HydrophobicContact CB-CB 4.44Å; V31-L110 HydrophobicContact CG2-CB 4.44Å; V32-L110 PolarHBondContact N-O 3.21Å; I95-L110 HydrophobicContact CG2-CB 4.08Å; I95-L110 HydrophobicContact CG2-CD2 4.38Å; Q97-L110 HydrophobicContact CB-CD2 4.29Å; Q97-L110 HydrophobicContact CG-CD2 3.59Å; I108-L110 HydrophobicContact CG2-CD2 4.21Å; L110-A112 PolarHBondContact O-N 2.87Å; L110-G125 WeakPolarHBondContact CD1-O 3.39Å; L110-Q128 HydrophobicContact CD1-CB 3.71Å; L110-A129 HydrophobicContact CD1-CB 4.25Å |
| 111 | D | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 115.4 | 176.5 | -169.8 | 30.4 | 0 | 0 | 0 | 109.4 | S41 L80 I95 A96 | S41-D111 VanDerWaalsContact CB-OD2 3.27Å; S41-D111 WeakPolarHBondContact CB-OD2 3.47Å; S41-D111 PolarHBondContact OG-OD2 2.92Å; L80-D111 HydrophobicContact CD1-CB 4.08Å; I95-D111 WeakPolarHBondContact CA-O 3.45Å; A96-D111 PolarHBondContact O-N 3Å; A96-D111 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 84.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -101.7 | 142.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V31 V32 V33 K40 L110 M122 | V31-A112 HydrophobicContact CG2-CB 3.85Å; V32-A112 VanDerWaalsContact O-CB 3.25Å; V32-A112 WeakPolarHBondContact O-CB 3.13Å; V32-A112 PolarHBondContact O-N 3.2Å; V33-A112 HydrophobicContact CG1-CB 4.36Å; K40-A112 WeakPolarHBondContact CE-O 3.25Å; L110-A112 PolarHBondContact O-N 2.87Å; A112-M122 HydrophobicContact CB-CB 4.13Å; A112-M122 HydrophobicContact CB-CG 3.73Å | ||
| 113 | P | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -66.1 | 145.2 | -176.6 | 28.7 | -37.3 | 0 | 0 | 0 | 111.7 | T92 F118 N121 M122 | T92-P113 WeakPolarHBondContact O-CB 2.99Å; P113-F118 HydrophobicContact CB-CB 3.56Å; P113-F118 HydrophobicContact CB-CG 4.37Å; P113-F118 HydrophobicContact CG-CB 3.55Å; P113-F118 VanDerWaalsContact CG-O 3.29Å; P113-F118 WeakPolarHBondContact CG-O 3.26Å; P113-N121 HydrophobicContact CG-CB 3.85Å; P113-M122 HydrophobicContact CG-CB 4.27Å | ||
| 114 | G | 80.6 | Confident | 82.9 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | trans | -86.1 | -26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V36 Q152 | V36-G114 VanDerWaalsContact CG2-C 3.48Å; G114-Q152 PolarHBondContact O-NE2 3.17Å; G114-Q152 VanDerWaalsContact O-NE2 3.09Å; G114-Q152 PolarHBondContact O-OE1 3.33Å | ||
| 115 | H | 82 | Confident | 82.3 | Confident | 63 Ų | 63 | 22 Ų | 22 | 29% | 0.292 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -77 | 150.6 | -167 | -162.7 | -98.3 | 0 | 0 | 0 | 112.5 | V36 D117 F118 | V36-H115 HydrophobicContact CG2-CB 4.02Å; H115-D117 IonicContact CE1-OD2 2.66Å; H115-D117 PolarHBondContact CE1-OD2 2.68Å; H115-D117 PolarHBondContact ND1-N 3.41Å; H115-D117 IonicContact ND1-OD2 3.28Å; H115-D117 PolarHBondContact ND1-OD2 3.35Å; H115-D117 PolarHBondContact O-N 2.92Å; H115-F118 HydrophobicContact CB-CD2 3.77Å; H115-F118 HydrophobicContact CB-CE2 4.34Å; H115-F118 PolarHBondContact O-N 2.79Å; H115-F118 VanDerWaalsContact O-N 3.13Å |
| 116 | R | 76.7 | Confident | 82.1 | Confident | 137 Ų | 137 | 21.8 Ų | 21.8 | 52% | 0.517 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -61.9 | -31.5 | -177.5 | -67.2 | -166.5 | 177.1 | 146.7 | -0.6 | 112.7 | F118 I119 G150 Q152 | R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 3.06Å; R116-I119 WeakPolarHBondContact O-CG1 3.27Å; R116-G150 PolarHBondContact NH2-O 2.98Å; R116-Q152 HydrophobicContact CG-CG 3.87Å; R116-Q152 VanDerWaalsContact CG-NE2 3.34Å; R116-Q152 VanDerWaalsContact N-NE2 3.16Å |
| 117 | D | 77.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 21.4 Ų | 21.4 | 62% | 0.62 | 10% | 0.101 | S | C | * | . | G | 310 helix | trans | -71.6 | -26 | -178.8 | -60.5 | -20.8 | 0 | 0 | 0 | 112.5 | H115 P120 | H115-D117 IonicContact CE1-OD2 2.66Å; H115-D117 PolarHBondContact CE1-OD2 2.68Å; H115-D117 PolarHBondContact ND1-N 3.41Å; H115-D117 IonicContact ND1-OD2 3.28Å; H115-D117 PolarHBondContact ND1-OD2 3.35Å; H115-D117 PolarHBondContact O-N 2.92Å; D117-P120 WeakPolarHBondContact O-CD 3.36Å |
| 118 | F | 79 | Confident | 80.6 | Confident | 39 Ų | 39 | 22 Ų | 22 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -103 | 13.4 | -176.1 | -56.5 | -63.9 | 0 | 0 | 0 | 113.6 | I91 M93 P113 H115 R116 P120 N121 M122 | I91-F118 HydrophobicContact CD1-CE2 3.85Å; M93-F118 HydrophobicContact CB-CD1 4.29Å; M93-F118 HydrophobicContact CB-CD2 4.43Å; M93-F118 HydrophobicContact CB-CE1 4.01Å; M93-F118 HydrophobicContact CB-CE2 4.24Å; M93-F118 HydrophobicContact CB-CZ 4.02Å; M93-F118 HydrophobicContact CG-CD2 4.21Å; M93-F118 HydrophobicContact CG-CE1 4.13Å; M93-F118 HydrophobicContact CG-CE2 3.65Å; M93-F118 HydrophobicContact CG-CZ 3.6Å; M93-F118 HydrophobicContact SD-CE1 4.24Å; M93-F118 HydrophobicContact SD-CE2 4.09Å; M93-F118 HydrophobicContact SD-CZ 3.58Å; M93-F118 VanDerWaalsContact SD-CZ 3.58Å; P113-F118 HydrophobicContact CB-CB 3.56Å; P113-F118 HydrophobicContact CB-CG 4.37Å; P113-F118 HydrophobicContact CG-CB 3.55Å; P113-F118 VanDerWaalsContact CG-O 3.29Å; P113-F118 WeakPolarHBondContact CG-O 3.26Å; H115-F118 HydrophobicContact CB-CD2 3.77Å; H115-F118 HydrophobicContact CB-CE2 4.34Å; H115-F118 PolarHBondContact O-N 2.79Å; H115-F118 VanDerWaalsContact O-N 3.13Å; R116-F118 VanDerWaalsContact C-N 3.29Å; R116-F118 PolarHBondContact O-N 3.06Å; F118-P120 VanDerWaalsContact C-N 3.28Å; F118-N121 WeakPolarHBondContact O-CA 3.24Å; F118-N121 WeakPolarHBondContact O-CB 2.97Å; F118-N121 PolarHBondContact O-N 3.36Å; F118-M122 PolarHBondContact O-N 3.31Å |
| 119 | I | 77.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52 | -37.3 | 170.8 | -61 | -72.4 | 0 | 0 | 0 | 113.4 | R116 N121 M122 I123 H156 L159 R429 | R116-I119 WeakPolarHBondContact O-CG1 3.27Å; I119-N121 PolarHBondContact O-N 2.76Å; I119-M122 PolarHBondContact O-N 3.27Å; I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 HydrophobicContact CG2-CG1 4.35Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.03Å; I119-H156 WeakPolarHBondContact CD1-NE2 3.5Å; I119-L159 HydrophobicContact CG2-CD1 3.66Å; I119-R429 VanDerWaalsContact CB-NH2 3.34Å |
| 120 | P | 73.1 | Confident | 79.9 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.4 | -40.1 | 173.6 | -22 | 32.1 | 0 | 0 | 0 | 113.1 | D117 F118 I123 M124 | D117-P120 WeakPolarHBondContact O-CD 3.36Å; F118-P120 VanDerWaalsContact C-N 3.28Å; P120-I123 PolarHBondContact O-N 3.3Å; P120-M124 PolarHBondContact O-N 3.34Å |
| 121 | N | 77.5 | Confident | 79.9 | Confident | 30 Ų | 30 | 23.3 Ų | 23.3 | 16% | 0.16 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.4 | -45.4 | 177.6 | -67.5 | 5.2 | 0 | 0 | 0 | 108.6 | M93 D94 I95 P113 F118 I119 I123 M124 G125 | M93-N121 PolarHBondContact O-ND2 2.83Å; D94-N121 PolarHBondContact OD1-ND2 3.42Å; I95-N121 WeakPolarHBondContact CD1-O 3.4Å; P113-N121 HydrophobicContact CG-CB 3.85Å; F118-N121 WeakPolarHBondContact O-CA 3.24Å; F118-N121 WeakPolarHBondContact O-CB 2.97Å; F118-N121 PolarHBondContact O-N 3.36Å; I119-N121 PolarHBondContact O-N 2.76Å; N121-I123 VanDerWaalsContact C-N 3.27Å; N121-I123 PolarHBondContact O-N 2.98Å; N121-M124 WeakPolarHBondContact O-CA 3.3Å; N121-M124 VanDerWaalsContact O-CB 3.26Å; N121-M124 WeakPolarHBondContact O-CB 3.45Å; N121-M124 PolarHBondContact O-N 2.8Å; N121-G125 PolarHBondContact O-N 2.93Å; N121-G125 VanDerWaalsContact O-N 3.16Å |
| 122 | M | 82.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -53.8 | -41.9 | 173.5 | -176.9 | -80.5 | -107.8 | 0 | 0 | 113.4 | V33 A112 P113 F118 I119 M124 G125 A126 H156 L159 | V33-M122 HydrophobicContact CG1-CE 4.41Å; V33-M122 HydrophobicContact CG1-CG 4.1Å; V33-M122 HydrophobicContact CG1-SD 4.23Å; A112-M122 HydrophobicContact CB-CB 4.13Å; A112-M122 HydrophobicContact CB-CG 3.73Å; P113-M122 HydrophobicContact CG-CB 4.27Å; F118-M122 PolarHBondContact O-N 3.31Å; I119-M122 PolarHBondContact O-N 3.27Å; M122-M124 VanDerWaalsContact C-N 3.31Å; M122-M124 PolarHBondContact O-N 3Å; M122-G125 PolarHBondContact O-N 3.03Å; M122-G125 VanDerWaalsContact O-N 3.14Å; M122-A126 WeakPolarHBondContact O-CB 3.23Å; M122-A126 PolarHBondContact O-N 2.96Å; M122-A126 HydrophobicContact SD-CB 4.07Å; M122-H156 VanDerWaalsContact CE-CA 3.45Å; M122-H156 HydrophobicContact CE-CB 3.6Å; M122-H156 WeakPolarHBondContact CE-CD2 3.24Å; M122-H156 VanDerWaalsContact CE-CG 3.43Å; M122-L159 HydrophobicContact CE-CB 3.9Å; M122-L159 HydrophobicContact CE-CD1 3.54Å; M122-L159 HydrophobicContact CE-CG 4.38Å; M122-L159 HydrophobicContact SD-CD1 4.43Å |
| 123 | I | 77 | Confident | 80.7 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.2 | -69.6 | 167.3 | 0 | 0 | 0 | 111.3 | I119 P120 N121 G125 A126 S127 L159 L163 H372 T427 | I119-I123 HydrophobicContact CG2-CD1 4.03Å; I119-I123 HydrophobicContact CG2-CG1 4.35Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.03Å; P120-I123 PolarHBondContact O-N 3.3Å; N121-I123 VanDerWaalsContact C-N 3.27Å; N121-I123 PolarHBondContact O-N 2.98Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.02Å; I123-A126 PolarHBondContact O-N 2.96Å; I123-S127 WeakPolarHBondContact O-CB 3.48Å; I123-S127 PolarHBondContact O-N 3.5Å; I123-S127 PolarHBondContact O-OG 2.97Å; I123-L159 HydrophobicContact CD1-CD2 4.02Å; I123-L159 HydrophobicContact CG1-CD1 4.28Å; I123-L159 HydrophobicContact CG1-CD2 4.1Å; I123-L163 HydrophobicContact CG2-CD1 4.22Å; I123-L163 HydrophobicContact CG2-CD2 4.26Å; I123-H372 HydrophobicContact CD1-CB 4.5Å; I123-H372 HydrophobicContact CG2-CB 4.24Å; I123-T427 HydrophobicContact CD1-CG2 4.4Å |
| 124 | M | 71.8 | Confident | 81.1 | Confident | 37 Ų | 37 | 23.3 Ų | 23.3 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 175.4 | 173.8 | 179.2 | 65 | 0 | 0 | 112.3 | I95 P120 N121 M122 S127 Q128 P376 | I95-M124 HydrophobicContact CB-CE 4.38Å; I95-M124 HydrophobicContact CD1-CB 4.07Å; I95-M124 HydrophobicContact CD1-CE 3.65Å; I95-M124 HydrophobicContact CD1-CG 4.25Å; I95-M124 HydrophobicContact CG1-CE 4.3Å; P120-M124 PolarHBondContact O-N 3.34Å; N121-M124 WeakPolarHBondContact O-CA 3.3Å; N121-M124 VanDerWaalsContact O-CB 3.26Å; N121-M124 WeakPolarHBondContact O-CB 3.45Å; N121-M124 PolarHBondContact O-N 2.8Å; M122-M124 VanDerWaalsContact C-N 3.31Å; M122-M124 PolarHBondContact O-N 3Å; M124-S127 PolarHBondContact O-OG 3.32Å; M124-S127 VanDerWaalsContact O-OG 3.05Å; M124-Q128 WeakPolarHBondContact O-CG 3.24Å; M124-Q128 PolarHBondContact O-NE2 2.69Å; M124-P376 HydrophobicContact CB-CB 4.03Å; M124-P376 HydrophobicContact CB-CG 3.86Å; M124-P376 HydrophobicContact CG-CB 4.42Å; M124-P376 HydrophobicContact CG-CG 3.71Å; M124-P376 HydrophobicContact SD-CB 4.49Å; M124-P376 HydrophobicContact SD-CG 3.59Å; M124-P376 VanDerWaalsContact SD-CG 3.59Å |
| 125 | G | 76.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.8 | -46.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | L110 N121 M122 I123 S127 Q128 A129 | L110-G125 WeakPolarHBondContact CD1-O 3.39Å; N121-G125 PolarHBondContact O-N 2.93Å; N121-G125 VanDerWaalsContact O-N 3.16Å; M122-G125 PolarHBondContact O-N 3.03Å; M122-G125 VanDerWaalsContact O-N 3.14Å; I123-G125 VanDerWaalsContact C-N 3.29Å; I123-G125 PolarHBondContact O-N 3.02Å; G125-S127 VanDerWaalsContact C-N 3.28Å; G125-S127 PolarHBondContact O-N 3.4Å; G125-Q128 PolarHBondContact O-N 2.92Å; G125-Q128 VanDerWaalsContact O-N 3.11Å; G125-A129 PolarHBondContact O-N 3.45Å |
| 126 | A | 82.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.6 | -28.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V31 M122 I123 Q128 A129 I160 L163 | V31-A126 HydrophobicContact CG1-CB 4.25Å; V31-A126 HydrophobicContact CG2-CB 4.31Å; M122-A126 WeakPolarHBondContact O-CB 3.23Å; M122-A126 PolarHBondContact O-N 2.96Å; M122-A126 HydrophobicContact SD-CB 4.07Å; I123-A126 PolarHBondContact O-N 2.96Å; A126-Q128 VanDerWaalsContact C-N 3.27Å; A126-Q128 PolarHBondContact O-N 3.38Å; A126-A129 PolarHBondContact O-N 3.18Å; A126-I160 HydrophobicContact CB-CG2 4.03Å; A126-L163 HydrophobicContact CB-CD1 3.4Å |
| 127 | S | 75.9 | Confident | 83.4 | Confident | 5 Ų | 5 | 14 Ų | 14 | 4% | 0.035 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.1 | -25.9 | 174.9 | 71.6 | 0 | 0 | 0 | 0 | 113 | I123 M124 G125 F374 | I123-S127 WeakPolarHBondContact O-CB 3.48Å; I123-S127 PolarHBondContact O-N 3.5Å; I123-S127 PolarHBondContact O-OG 2.97Å; M124-S127 PolarHBondContact O-OG 3.32Å; M124-S127 VanDerWaalsContact O-OG 3.05Å; G125-S127 VanDerWaalsContact C-N 3.28Å; G125-S127 PolarHBondContact O-N 3.4Å; S127-F374 WeakPolarHBondContact CB-O 3.36Å; S127-F374 WeakPolarHBondContact O-CE2 3.41Å; S127-F374 WeakPolarHBondContact O-CZ 3.34Å; S127-F374 PolarHBondContact OG-O 2.61Å |
| 128 | Q | 72.6 | Confident | 84.2 | Confident | 11 Ų | 11 | 8.5 Ų | 8.5 | 5% | 0.051 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -85.3 | -16.9 | 177.3 | -66.6 | 175.7 | 69.6 | 0 | 0 | 112.5 | N29 L110 M124 G125 A126 K276 | N29-Q128 WeakPolarHBondContact CB-O 3.48Å; N29-Q128 PolarHBondContact ND2-O 2.88Å; L110-Q128 HydrophobicContact CD1-CB 3.71Å; M124-Q128 WeakPolarHBondContact O-CG 3.24Å; M124-Q128 PolarHBondContact O-NE2 2.69Å; G125-Q128 PolarHBondContact O-N 2.92Å; G125-Q128 VanDerWaalsContact O-N 3.11Å; A126-Q128 VanDerWaalsContact C-N 3.27Å; A126-Q128 PolarHBondContact O-N 3.38Å; Q128-K276 PolarHBondContact O-NZ 3.37Å |
| 129 | A | 82.8 | Confident | 85 | Confident | 8 Ų | 8 | 8 Ų | 8 | 7% | 0.066 | 4% | 0.044 | C | C | . | . | trans | -87.5 | 154 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V31 L110 G125 A126 I165 | V31-A129 HydrophobicContact CB-CB 3.53Å; V31-A129 HydrophobicContact CG1-CB 3.57Å; L110-A129 HydrophobicContact CD1-CB 4.25Å; G125-A129 PolarHBondContact O-N 3.45Å; A126-A129 PolarHBondContact O-N 3.18Å; A129-I165 HydrophobicContact CB-CD1 3.94Å | ||
| 130 | E | 82.8 | Confident | 85.7 | Confident | 29 Ų | 29 | 17 Ų | 17 | 14% | 0.136 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -112.1 | -33.3 | 178.3 | -81.4 | 178.2 | 143.5 | 0 | 0 | 111.3 | L28 N29 I247 R249 | L28-E130 WeakPolarHBondContact CD2-OE2 3.48Å; N29-E130 PolarHBondContact O-N 2.52Å; E130-I247 HydrophobicContact CB-CD1 3.44Å; E130-I247 VanDerWaalsContact CB-CD1 3.44Å; E130-I247 HydrophobicContact CG-CD1 3.78Å; E130-R249 IonicContact OE1-CZ 3.65Å; E130-R249 IonicContact OE1-NE 2.69Å; E130-R249 PolarHBondContact OE1-NE 2.83Å; E130-R249 IonicContact OE1-NH2 3.92Å; E130-R249 PolarHBondContact OE1-NH2 2.81Å; E130-R249 IonicContact OE2-NH2 3.99Å; E130-R249 PolarHBondContact OE2-NH2 3.05Å |
| 131 | V | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.6 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | L28 N29 L30 V31 Q167 M244 | L28-V131 HydrophobicContact CD1-CG2 4.38Å; N29-V131 PolarHBondContact O-N 3.5Å; N29-V131 VanDerWaalsContact O-N 3.09Å; L30-V131 WeakPolarHBondContact CA-O 3.4Å; L30-V131 HydrophobicContact CD1-CB 4.06Å; L30-V131 HydrophobicContact CD1-CG1 3.83Å; V31-V131 PolarHBondContact N-O 2.88Å; V131-Q167 HydrophobicContact CG1-CB 4.23Å; V131-Q167 HydrophobicContact CG2-CB 4.16Å; V131-M244 HydrophobicContact CG1-CE 4.25Å; V131-M244 HydrophobicContact CG1-CG 4.15Å; V131-M244 HydrophobicContact CG1-SD 3.95Å |
| 132 | A | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V31 I160 I165 Q167 L168 L169 | V31-A132 HydrophobicContact CG1-CB 3.69Å; V31-A132 CarbonylContact O-C 3.53Å; V31-A132 VanDerWaalsContact O-CA 3.31Å; V31-A132 WeakPolarHBondContact O-CA 3.17Å; A132-I160 HydrophobicContact CB-CD1 3.74Å; A132-I160 HydrophobicContact CB-CG2 4.46Å; A132-I165 HydrophobicContact CB-CD1 3.96Å; A132-I165 HydrophobicContact CB-CG2 3.88Å; A132-Q167 PolarHBondContact N-O 2.73Å; A132-L168 HydrophobicContact CB-CD1 3.77Å; A132-L168 WeakPolarHBondContact O-CA 3.36Å; A132-L168 WeakPolarHBondContact O-CD1 3.49Å; A132-L169 PolarHBondContact O-N 2.83Å |
| 133 | L | 95.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 111.5 | 166.8 | 178.2 | 63.5 | 0 | 0 | 0 | 108.8 | L30 V31 V32 V33 L43 M44 V135 L169 A171 L237 | L30-L133 HydrophobicContact CD1-CB 4.1Å; V31-L133 PolarHBondContact O-N 2.83Å; V32-L133 WeakPolarHBondContact CA-O 3.36Å; V32-L133 HydrophobicContact CG1-CD2 4.38Å; V32-L133 HydrophobicContact CG2-CB 4.27Å; V32-L133 HydrophobicContact CG2-CD2 4.27Å; V33-L133 PolarHBondContact N-O 3.29Å; L43-L133 HydrophobicContact CD2-CD2 4.48Å; M44-L133 HydrophobicContact CE-CD2 3.5Å; M44-L133 VanDerWaalsContact CE-CD2 3.5Å; M44-L133 HydrophobicContact SD-CD2 4.09Å; L133-V135 HydrophobicContact CD2-CG2 4.41Å; L133-V135 HydrophobicContact CG-CG2 4.25Å; L133-L169 HydrophobicContact CD1-CB 3.83Å; L133-L169 HydrophobicContact CD1-CD2 3.94Å; L133-L169 HydrophobicContact CD1-CG 3.76Å; L133-A171 HydrophobicContact CD1-CB 3.83Å; L133-A171 HydrophobicContact CG-CB 4.47Å; L133-L237 HydrophobicContact CD1-CD1 3.93Å; L133-L237 HydrophobicContact CD2-CD1 4.45Å |
| 134 | L | 95.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114 | 171.5 | -174.6 | 68.9 | 0 | 0 | 0 | 109.6 | V33 V136 T153 T157 L168 L169 I170 A171 | V33-L134 HydrophobicContact CG2-CB 4.44Å; V33-L134 HydrophobicContact CG2-CD1 3.8Å; V33-L134 CarbonylContact O-C 3.54Å; V33-L134 WeakPolarHBondContact O-CA 3.22Å; L134-V136 HydrophobicContact CD2-CG2 4.03Å; L134-V136 HydrophobicContact CG-CG2 3.99Å; L134-T153 HydrophobicContact CD1-CG2 3.85Å; L134-T153 HydrophobicContact CD2-CG2 4.01Å; L134-T153 HydrophobicContact CG-CG2 4.19Å; L134-T157 WeakPolarHBondContact CD2-OG1 3.33Å; L134-L168 HydrophobicContact CB-CD1 3.95Å; L134-L169 PolarHBondContact N-O 3.36Å; L134-I170 HydrophobicContact CB-CD1 3.76Å; L134-I170 HydrophobicContact CD2-CD1 3.88Å; L134-I170 HydrophobicContact CG-CD1 4.4Å; L134-I170 WeakPolarHBondContact O-CA 3.39Å; L134-A171 PolarHBondContact O-N 2.97Å |
| 135 | V | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120 | 174.4 | -168.3 | 0 | 0 | 0 | 0 | 109 | V32 V33 A38 K40 L43 L133 A171 N173 | V32-V135 HydrophobicContact CG1-CG2 3.68Å; V33-V135 PolarHBondContact O-N 2.8Å; A38-V135 HydrophobicContact CB-CB 4.2Å; A38-V135 HydrophobicContact CB-CG1 4Å; A38-V135 WeakPolarHBondContact CB-O 2.95Å; A38-V135 VanDerWaalsContact O-CG1 3.25Å; A38-V135 WeakPolarHBondContact O-CG1 3.48Å; K40-V135 HydrophobicContact CG-CB 4.02Å; K40-V135 HydrophobicContact CG-CG2 4.01Å; L43-V135 HydrophobicContact CD2-CG1 4.13Å; L43-V135 HydrophobicContact CD2-CG2 3.94Å; L133-V135 HydrophobicContact CD2-CG2 4.41Å; L133-V135 HydrophobicContact CG-CG2 4.25Å; V135-A171 WeakPolarHBondContact CA-O 2.9Å; V135-N173 HydrophobicContact CG1-CB 3.67Å |
| 136 | V | 95.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.8 | -179.3 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L134 F143 T153 I170 A171 V172 N173 I188 V192 | L134-V136 HydrophobicContact CD2-CG2 4.03Å; L134-V136 HydrophobicContact CG-CG2 3.99Å; V136-F143 HydrophobicContact CG1-CD2 3.54Å; V136-F143 HydrophobicContact CG1-CE2 3.59Å; V136-T153 HydrophobicContact CG2-CG2 4.32Å; V136-I170 HydrophobicContact CG2-CG2 3.86Å; V136-A171 PolarHBondContact N-O 3.22Å; V136-V172 CarbonylContact O-C 3.55Å; V136-V172 WeakPolarHBondContact O-CA 3.14Å; V136-N173 PolarHBondContact O-N 3.49Å; V136-I188 HydrophobicContact CG1-CG2 3.89Å; V136-V192 HydrophobicContact CG1-CG2 4.47Å |
| 137 | N | 95.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.5 | 179 | -165.4 | -37.9 | 0 | 0 | 0 | 111.1 | D37 T139 E142 F143 K174 | D37-N137 PolarHBondContact O-ND2 3.09Å; N137-T139 VanDerWaalsContact OD1-CB 3.26Å; N137-T139 WeakPolarHBondContact OD1-CB 3.38Å; N137-T139 PolarHBondContact OD1-N 2.95Å; N137-T139 PolarHBondContact OD1-OG1 2.95Å; N137-T139 VanDerWaalsContact OD1-OG1 3.07Å; N137-E142 HydrophobicContact CB-CB 4.41Å; N137-E142 PolarHBondContact ND2-OE2 2.98Å; N137-F143 VanDerWaalsContact O-CB 3.26Å; N137-F143 WeakPolarHBondContact O-CB 3.17Å; N137-F143 WeakPolarHBondContact O-CD2 3.42Å; N137-K174 VanDerWaalsContact ND2-CE 3.32Å; N137-K174 WeakPolarHBondContact ND2-CE 3.19Å; N137-K174 PolarHBondContact ND2-NZ 3.45Å; N137-K174 VanDerWaalsContact ND2-NZ 3.19Å |
| 138 | A | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -82.3 | -25.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R140 V172 N173 M175 V178 R184 I188 | A138-R140 PolarHBondContact O-N 3.16Å; A138-V172 HydrophobicContact CB-CG1 3.95Å; A138-N173 WeakPolarHBondContact CB-O 3.29Å; A138-N173 PolarHBondContact N-O 2.99Å; A138-M175 HydrophobicContact CB-CG 4.36Å; A138-M175 HydrophobicContact CB-SD 3.6Å; A138-M175 VanDerWaalsContact CB-SD 3.6Å; A138-V178 HydrophobicContact CB-CG2 3.94Å; A138-R184 PolarHBondContact O-NE 3.28Å; A138-R184 PolarHBondContact O-NH2 3.33Å; A138-I188 HydrophobicContact CB-CD1 4.13Å | ||
| 139 | T | 95 | Very high | 89.8 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -57.4 | 136 | -175.4 | -50 | 0 | 0 | 0 | 0 | 110.7 | N137 E142 F143 T177 R184 | N137-T139 VanDerWaalsContact OD1-CB 3.26Å; N137-T139 WeakPolarHBondContact OD1-CB 3.38Å; N137-T139 PolarHBondContact OD1-N 2.95Å; N137-T139 PolarHBondContact OD1-OG1 2.95Å; N137-T139 VanDerWaalsContact OD1-OG1 3.07Å; T139-E142 HydrophobicContact CG2-CG 4.41Å; T139-E142 PolarHBondContact O-N 2.91Å; T139-F143 PolarHBondContact O-N 2.87Å; T139-T177 PolarHBondContact OG1-OG1 3.18Å; T139-R184 PolarHBondContact O-NH2 3.45Å |
| 140 | R | 92.2 | Very high | 89.3 | Confident | 188 Ų | 188 | 36.4 Ų | 36.4 | 71% | 0.709 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 137 | 177.6 | -63.9 | -175.8 | -180 | -157.2 | 0.3 | 109.9 | A138 E142 | A138-R140 PolarHBondContact O-N 3.16Å; R140-E142 VanDerWaalsContact C-N 3.28Å; R140-E142 PolarHBondContact O-N 3.05Å |
| 141 | G | 90.5 | Very high | 89.2 | Confident | 47 Ų | 47 | 35.2 Ų | 35.2 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -52.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E144 S145 | G141-E144 WeakPolarHBondContact CA-OE2 3.47Å; G141-E144 PolarHBondContact N-OE2 3.09Å; G141-E144 PolarHBondContact O-N 2.94Å; G141-S145 WeakPolarHBondContact O-CB 3.26Å; G141-S145 PolarHBondContact O-N 2.88Å; G141-S145 PolarHBondContact O-OG 2.9Å |
| 142 | E | 91.4 | Very high | 88.8 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.1 | -42 | -179.9 | -64.3 | -175.2 | -170.9 | 0 | 0 | 111.5 | N137 T139 R140 S145 G146 K174 | N137-E142 HydrophobicContact CB-CB 4.41Å; N137-E142 PolarHBondContact ND2-OE2 2.98Å; T139-E142 HydrophobicContact CG2-CG 4.41Å; T139-E142 PolarHBondContact O-N 2.91Å; R140-E142 VanDerWaalsContact C-N 3.28Å; R140-E142 PolarHBondContact O-N 3.05Å; E142-S145 PolarHBondContact O-N 3.14Å; E142-S145 PolarHBondContact O-OG 3.32Å; E142-G146 PolarHBondContact O-N 3.37Å; E142-G146 VanDerWaalsContact O-N 3.07Å; E142-K174 IonicContact OE2-NZ 3.35Å; E142-K174 PolarHBondContact OE2-NZ 3.34Å |
| 143 | F | 92.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.6 | -51.5 | 173 | 173.8 | -109.9 | 0 | 0 | 0 | 112.1 | V136 N137 T139 S145 G146 F147 I188 R191 V192 | V136-F143 HydrophobicContact CG1-CD2 3.54Å; V136-F143 HydrophobicContact CG1-CE2 3.59Å; N137-F143 VanDerWaalsContact O-CB 3.26Å; N137-F143 WeakPolarHBondContact O-CB 3.17Å; N137-F143 WeakPolarHBondContact O-CD2 3.42Å; T139-F143 PolarHBondContact O-N 2.87Å; F143-S145 PolarHBondContact O-N 3.14Å; F143-G146 PolarHBondContact O-N 3.46Å; F143-F147 HydrophobicContact CE2-CB 4.11Å; F143-F147 HydrophobicContact CE2-CG 4.26Å; F143-F147 HydrophobicContact CZ-CB 4.13Å; F143-F147 HydrophobicContact CZ-CD1 4.1Å; F143-F147 HydrophobicContact CZ-CG 4.03Å; F143-F147 VanDerWaalsContact O-CB 3.23Å; F143-F147 WeakPolarHBondContact O-CB 3.39Å; F143-F147 PolarHBondContact O-N 3.42Å; F143-I188 HydrophobicContact CD1-CG1 4.29Å; F143-I188 HydrophobicContact CD2-CD1 4.36Å; F143-I188 HydrophobicContact CD2-CG1 4.01Å; F143-I188 HydrophobicContact CD2-CG2 4.3Å; F143-I188 HydrophobicContact CE1-CG1 4.23Å; F143-I188 HydrophobicContact CE2-CB 4.27Å; F143-I188 HydrophobicContact CE2-CG1 3.95Å; F143-I188 HydrophobicContact CE2-CG2 3.75Å; F143-I188 HydrophobicContact CG-CG1 4.19Å; F143-I188 HydrophobicContact CZ-CB 4.37Å; F143-I188 HydrophobicContact CZ-CG1 4.06Å; F143-I188 HydrophobicContact CZ-CG2 4.24Å; F143-R191 HydrophobicContact CZ-CB 4.2Å; F143-V192 HydrophobicContact CE2-CG2 3.93Å; F143-V192 HydrophobicContact CZ-CG2 4.18Å |
| 144 | E | 92.1 | Very high | 87.9 | Confident | 41 Ų | 41 | 38.9 Ų | 38.9 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | -177.9 | -68.8 | 74.3 | -164.2 | 0 | 0 | 110.4 | G141 G146 F147 D148 R184 | G141-E144 WeakPolarHBondContact CA-OE2 3.47Å; G141-E144 PolarHBondContact N-OE2 3.09Å; G141-E144 PolarHBondContact O-N 2.94Å; E144-G146 VanDerWaalsContact C-N 3.33Å; E144-G146 PolarHBondContact O-N 3.49Å; E144-F147 PolarHBondContact O-N 2.85Å; E144-D148 VanDerWaalsContact O-CB 3.24Å; E144-D148 WeakPolarHBondContact O-CB 3.48Å; E144-D148 PolarHBondContact O-N 3.4Å; E144-R184 IonicContact OE1-CZ 3.81Å; E144-R184 IonicContact OE1-NH1 3.66Å; E144-R184 PolarHBondContact OE1-NH1 2.66Å; E144-R184 IonicContact OE1-NH2 2.81Å; E144-R184 PolarHBondContact OE1-NH2 3.28Å; E144-R184 IonicContact OE2-NH2 3.22Å; E144-R184 PolarHBondContact OE2-NH2 3.17Å |
| 145 | S | 86.3 | Confident | 87.3 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 47% | 0.469 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 176.8 | 76.1 | 0 | 0 | 0 | 0 | 113.5 | G141 E142 F143 | G141-S145 WeakPolarHBondContact O-CB 3.26Å; G141-S145 PolarHBondContact O-N 2.88Å; G141-S145 PolarHBondContact O-OG 2.9Å; E142-S145 PolarHBondContact O-N 3.14Å; E142-S145 PolarHBondContact O-OG 3.32Å; F143-S145 PolarHBondContact O-N 3.14Å |
| 146 | G | 82.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -77.6 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E142 F143 E144 G151 T153 | E142-G146 PolarHBondContact O-N 3.37Å; E142-G146 VanDerWaalsContact O-N 3.07Å; F143-G146 PolarHBondContact O-N 3.46Å; E144-G146 VanDerWaalsContact C-N 3.33Å; E144-G146 PolarHBondContact O-N 3.49Å; G146-G151 CarbonylContact O-C 3.53Å; G146-G151 VanDerWaalsContact O-CA 3.24Å; G146-G151 WeakPolarHBondContact O-CA 3.16Å; G146-T153 WeakPolarHBondContact O-CB 3.06Å; G146-T153 PolarHBondContact O-N 3.22Å; G146-T153 PolarHBondContact O-OG1 3.19Å |
| 147 | F | 87.1 | Confident | 86.4 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -103.8 | -19.2 | -172 | -169.5 | -104.2 | 0 | 0 | 0 | 114.8 | F143 E144 R154 R191 V192 F195 | F143-F147 HydrophobicContact CE2-CB 4.11Å; F143-F147 HydrophobicContact CE2-CG 4.26Å; F143-F147 HydrophobicContact CZ-CB 4.13Å; F143-F147 HydrophobicContact CZ-CD1 4.1Å; F143-F147 HydrophobicContact CZ-CG 4.03Å; F143-F147 VanDerWaalsContact O-CB 3.23Å; F143-F147 WeakPolarHBondContact O-CB 3.39Å; F143-F147 PolarHBondContact O-N 3.42Å; E144-F147 PolarHBondContact O-N 2.85Å; F147-R154 HydrophobicContact CD2-CG 4.22Å; F147-R154 VanDerWaalsContact CE1-NH2 3.33Å; F147-R154 HydrophobicContact CE2-CG 4.32Å; F147-R154 VanDerWaalsContact O-CD 3.23Å; F147-R154 WeakPolarHBondContact O-CD 3.47Å; F147-R154 WeakPolarHBondContact O-CG 3.23Å; F147-R154 PolarHBondContact O-NE 3.48Å; F147-R154 PolarHBondContact O-NH2 3.23Å; F147-R191 HydrophobicContact CE1-CB 4.02Å; F147-R191 HydrophobicContact CZ-CB 4.48Å; F147-R191 WeakPolarHBondContact CZ-O 3.46Å; F147-V192 HydrophobicContact CD2-CG2 4.17Å; F147-V192 HydrophobicContact CE2-CB 4.41Å; F147-V192 HydrophobicContact CE2-CG2 3.91Å; F147-V192 HydrophobicContact CZ-CG2 4.43Å; F147-F195 HydrophobicContact CE2-CB 3.97Å; F147-F195 AromaticContact CE2-CD1 3.88Å; F147-F195 HydrophobicContact CE2-CD1 3.88Å; F147-F195 HydrophobicContact CE2-CG 4.08Å; F147-F195 HydrophobicContact CZ-CB 3.58Å; F147-F195 HydrophobicContact CZ-CD1 4.34Å; F147-F195 HydrophobicContact CZ-CG 4.08Å |
| 148 | D | 82.5 | Confident | 85.9 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -71.2 | 178.5 | -179.5 | -76.3 | -22 | 0 | 0 | 0 | 112.8 | E144 G150 G151 | E144-D148 VanDerWaalsContact O-CB 3.24Å; E144-D148 WeakPolarHBondContact O-CB 3.48Å; E144-D148 PolarHBondContact O-N 3.4Å; D148-G150 PolarHBondContact O-N 3.11Å; D148-G150 VanDerWaalsContact O-N 3.13Å; D148-G151 WeakPolarHBondContact O-CA 3.37Å; D148-G151 PolarHBondContact O-N 3.43Å |
| 149 | L | 70.2 | Confident | 85.2 | Confident | 142 Ų | 142 | 41.7 Ų | 41.7 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 118.7 | -176.1 | -75.3 | 163.7 | 0 | 0 | 0 | 110.9 | ||
| 150 | G | 71.7 | Confident | 84.8 | Confident | 50 Ų | 50 | 40.3 Ų | 40.3 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 0 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R116 D148 | R116-G150 PolarHBondContact NH2-O 2.98Å; D148-G150 PolarHBondContact O-N 3.11Å; D148-G150 VanDerWaalsContact O-N 3.13Å |
| 151 | G | 80.2 | Confident | 84.5 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | trans | -64 | 140.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G146 D148 T153 R154 E155 | G146-G151 CarbonylContact O-C 3.53Å; G146-G151 VanDerWaalsContact O-CA 3.24Å; G146-G151 WeakPolarHBondContact O-CA 3.16Å; D148-G151 WeakPolarHBondContact O-CA 3.37Å; D148-G151 PolarHBondContact O-N 3.43Å; G151-T153 VanDerWaalsContact C-N 3.27Å; G151-T153 PolarHBondContact O-N 2.91Å; G151-R154 PolarHBondContact O-N 2.74Å; G151-E155 PolarHBondContact O-N 2.7Å | ||
| 152 | Q | 83 | Confident | 83.9 | Confident | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -35.1 | -177.6 | -74.5 | 167.4 | -15.3 | 0 | 0 | 112 | H35 G114 R116 R154 E155 H156 | H35-Q152 PolarHBondContact CE1-OE1 3.46Å; H35-Q152 VanDerWaalsContact CE1-OE1 3.28Å; H35-Q152 PolarHBondContact ND1-OE1 2.79Å; G114-Q152 PolarHBondContact O-NE2 3.17Å; G114-Q152 VanDerWaalsContact O-NE2 3.09Å; G114-Q152 PolarHBondContact O-OE1 3.33Å; R116-Q152 HydrophobicContact CG-CG 3.87Å; R116-Q152 VanDerWaalsContact CG-NE2 3.34Å; R116-Q152 VanDerWaalsContact N-NE2 3.16Å; Q152-R154 VanDerWaalsContact C-N 3.29Å; Q152-R154 PolarHBondContact O-N 2.83Å; Q152-E155 PolarHBondContact O-N 2.74Å; Q152-H156 WeakPolarHBondContact O-CB 3.38Å; Q152-H156 PolarHBondContact O-CD2 3.26Å; Q152-H156 PolarHBondContact O-N 2.83Å |
| 153 | T | 85 | Confident | 83.2 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 179.7 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | L134 V136 G146 G151 T157 | L134-T153 HydrophobicContact CD1-CG2 3.85Å; L134-T153 HydrophobicContact CD2-CG2 4.01Å; L134-T153 HydrophobicContact CG-CG2 4.19Å; V136-T153 HydrophobicContact CG2-CG2 4.32Å; G146-T153 WeakPolarHBondContact O-CB 3.06Å; G146-T153 PolarHBondContact O-N 3.22Å; G146-T153 PolarHBondContact O-OG1 3.19Å; G151-T153 VanDerWaalsContact C-N 3.27Å; G151-T153 PolarHBondContact O-N 2.91Å; T153-T157 WeakPolarHBondContact O-CB 3.24Å; T153-T157 PolarHBondContact O-N 3.07Å; T153-T157 PolarHBondContact O-OG1 2.67Å |
| 154 | R | 85.4 | Confident | 82.5 | Confident | 60 Ų | 60 | 31.7 Ų | 31.7 | 23% | 0.226 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -46.4 | 175.3 | -73.4 | -164.1 | 177.8 | 161.1 | 22.3 | 111.9 | F147 G151 Q152 H156 T157 L158 F195 | F147-R154 HydrophobicContact CD2-CG 4.22Å; F147-R154 VanDerWaalsContact CE1-NH2 3.33Å; F147-R154 HydrophobicContact CE2-CG 4.32Å; F147-R154 VanDerWaalsContact O-CD 3.23Å; F147-R154 WeakPolarHBondContact O-CD 3.47Å; F147-R154 WeakPolarHBondContact O-CG 3.23Å; F147-R154 PolarHBondContact O-NE 3.48Å; F147-R154 PolarHBondContact O-NH2 3.23Å; G151-R154 PolarHBondContact O-N 2.74Å; Q152-R154 VanDerWaalsContact C-N 3.29Å; Q152-R154 PolarHBondContact O-N 2.83Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 3.13Å; R154-T157 PolarHBondContact O-N 3.33Å; R154-L158 WeakPolarHBondContact O-CB 3.15Å; R154-L158 PolarHBondContact O-N 2.61Å; R154-F195 HydrophobicContact CB-CE1 4.05Å; R154-F195 HydrophobicContact CB-CE2 4.27Å; R154-F195 HydrophobicContact CB-CZ 3.64Å; R154-F195 HydrophobicContact CG-CD1 4.31Å; R154-F195 HydrophobicContact CG-CD2 4.47Å; R154-F195 HydrophobicContact CG-CE1 3.82Å; R154-F195 HydrophobicContact CG-CE2 4Å; R154-F195 HydrophobicContact CG-CZ 3.64Å |
| 155 | E | 82 | Confident | 82.1 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 177.7 | -179 | 166.5 | -156 | 0 | 0 | 111 | G151 Q152 T157 L158 L159 T434 | G151-E155 PolarHBondContact O-N 2.7Å; Q152-E155 PolarHBondContact O-N 2.74Å; E155-T157 PolarHBondContact O-N 3.46Å; E155-L158 WeakPolarHBondContact O-CB 3.38Å; E155-L158 PolarHBondContact O-N 3.37Å; E155-L159 HydrophobicContact CG-CD1 3.95Å; E155-L159 HydrophobicContact CG-CG 4.45Å; E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 WeakPolarHBondContact O-CG 3.3Å; E155-L159 PolarHBondContact O-N 3.23Å; E155-T434 WeakPolarHBondContact OE1-CB 3.15Å; E155-T434 PolarHBondContact OE1-N 3.28Å; E155-T434 PolarHBondContact OE1-OG1 3.27Å |
| 156 | H | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | -179.9 | -69.2 | -174 | 0 | 0 | 0 | 111.9 | V33 G34 I119 M122 Q152 R154 L158 L159 I160 | V33-H156 HydrophobicContact CB-CB 4.19Å; G34-H156 PolarHBondContact N-ND1 2.96Å; G34-H156 PolarHBondContact O-CE1 3.43Å; G34-H156 PolarHBondContact O-ND1 2.66Å; I119-H156 WeakPolarHBondContact CD1-NE2 3.5Å; M122-H156 VanDerWaalsContact CE-CA 3.45Å; M122-H156 HydrophobicContact CE-CB 3.6Å; M122-H156 WeakPolarHBondContact CE-CD2 3.24Å; M122-H156 VanDerWaalsContact CE-CG 3.43Å; Q152-H156 WeakPolarHBondContact O-CB 3.38Å; Q152-H156 PolarHBondContact O-CD2 3.26Å; Q152-H156 PolarHBondContact O-N 2.83Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 3.13Å; H156-L158 VanDerWaalsContact C-N 3.25Å; H156-L158 PolarHBondContact O-N 3.5Å; H156-L159 WeakPolarHBondContact O-CB 3.23Å; H156-L159 PolarHBondContact O-N 2.93Å; H156-I160 WeakPolarHBondContact O-CG1 3.25Å; H156-I160 PolarHBondContact O-N 3.46Å |
| 157 | T | 87.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | L134 T153 R154 E155 I160 R161 F195 L196 V199 F201 | L134-T157 WeakPolarHBondContact CD2-OG1 3.33Å; T153-T157 WeakPolarHBondContact O-CB 3.24Å; T153-T157 PolarHBondContact O-N 3.07Å; T153-T157 PolarHBondContact O-OG1 2.67Å; R154-T157 PolarHBondContact O-N 3.33Å; E155-T157 PolarHBondContact O-N 3.46Å; T157-I160 WeakPolarHBondContact O-CG1 3.44Å; T157-R161 WeakPolarHBondContact O-CB 3.29Å; T157-R161 PolarHBondContact O-N 3.06Å; T157-F195 HydrophobicContact CG2-CD1 4.38Å; T157-F195 HydrophobicContact CG2-CE1 3.77Å; T157-L196 HydrophobicContact CG2-CD2 3.58Å; T157-V199 HydrophobicContact CG2-CG1 4.43Å; T157-F201 HydrophobicContact CG2-CD2 4.11Å; T157-F201 HydrophobicContact CG2-CE2 3.78Å |
| 158 | L | 82.9 | Confident | 82.6 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | 178.7 | -167.6 | 59.1 | 0 | 0 | 0 | 112 | R154 E155 H156 R161 S162 V199 F357 | R154-L158 WeakPolarHBondContact O-CB 3.15Å; R154-L158 PolarHBondContact O-N 2.61Å; E155-L158 WeakPolarHBondContact O-CB 3.38Å; E155-L158 PolarHBondContact O-N 3.37Å; H156-L158 VanDerWaalsContact C-N 3.25Å; H156-L158 PolarHBondContact O-N 3.5Å; L158-R161 PolarHBondContact O-N 2.97Å; L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 3.49Å; L158-S162 PolarHBondContact O-OG 2.79Å; L158-V199 HydrophobicContact CD1-CG1 4.04Å; L158-V199 HydrophobicContact CD1-CG2 4.24Å; L158-F357 HydrophobicContact CD1-CD1 3.64Å; L158-F357 HydrophobicContact CD1-CE1 3.33Å; L158-F357 HydrophobicContact CD1-CE2 4.46Å; L158-F357 HydrophobicContact CD1-CG 4.34Å; L158-F357 HydrophobicContact CD1-CZ 3.8Å; L158-F357 HydrophobicContact CD2-CB 3.59Å; L158-F357 HydrophobicContact CD2-CD1 3.31Å; L158-F357 HydrophobicContact CD2-CD2 3.49Å; L158-F357 VanDerWaalsContact CD2-CD2 3.49Å; L158-F357 HydrophobicContact CD2-CE1 3.79Å; L158-F357 HydrophobicContact CD2-CE2 3.93Å; L158-F357 HydrophobicContact CD2-CG 3.15Å; L158-F357 HydrophobicContact CD2-CZ 4.07Å; L158-F357 HydrophobicContact CG-CD1 3.68Å; L158-F357 HydrophobicContact CG-CD2 3.92Å; L158-F357 HydrophobicContact CG-CE1 3.56Å; L158-F357 HydrophobicContact CG-CE2 3.8Å; L158-F357 HydrophobicContact CG-CG 3.86Å; L158-F357 HydrophobicContact CG-CZ 3.62Å |
| 159 | L | 82.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -50.6 | 176 | -78.7 | 170.3 | 0 | 0 | 0 | 111.9 | I119 M122 I123 E155 H156 R161 S162 L163 T427 T434 | I119-L159 HydrophobicContact CG2-CD1 3.66Å; M122-L159 HydrophobicContact CE-CB 3.9Å; M122-L159 HydrophobicContact CE-CD1 3.54Å; M122-L159 HydrophobicContact CE-CG 4.38Å; M122-L159 HydrophobicContact SD-CD1 4.43Å; I123-L159 HydrophobicContact CD1-CD2 4.02Å; I123-L159 HydrophobicContact CG1-CD1 4.28Å; I123-L159 HydrophobicContact CG1-CD2 4.1Å; E155-L159 HydrophobicContact CG-CD1 3.95Å; E155-L159 HydrophobicContact CG-CG 4.45Å; E155-L159 WeakPolarHBondContact O-CB 3.25Å; E155-L159 WeakPolarHBondContact O-CG 3.3Å; E155-L159 PolarHBondContact O-N 3.23Å; H156-L159 WeakPolarHBondContact O-CB 3.23Å; H156-L159 PolarHBondContact O-N 2.93Å; L159-R161 PolarHBondContact O-N 2.95Å; L159-S162 CarbonylContact O-C 3.59Å; L159-S162 WeakPolarHBondContact O-CB 3.45Å; L159-S162 PolarHBondContact O-N 3.19Å; L159-L163 WeakPolarHBondContact O-CB 3.42Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.27Å; L159-L163 PolarHBondContact O-N 3.11Å; L159-T427 HydrophobicContact CD2-CG2 3.6Å; L159-T434 HydrophobicContact CD2-CG2 3.52Å; L159-T434 HydrophobicContact CG-CG2 4.25Å |
| 160 | I | 87.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -37.1 | 179.1 | 59.1 | 166.1 | 0 | 0 | 0 | 111.7 | V31 V33 A126 A132 H156 T157 S162 L163 G164 I165 L168 F201 | V31-I160 HydrophobicContact CG1-CG2 4.47Å; V33-I160 HydrophobicContact CG1-CG2 3.97Å; V33-I160 HydrophobicContact CG2-CD1 4.26Å; V33-I160 HydrophobicContact CG2-CG2 4.18Å; A126-I160 HydrophobicContact CB-CG2 4.03Å; A132-I160 HydrophobicContact CB-CD1 3.74Å; A132-I160 HydrophobicContact CB-CG2 4.46Å; H156-I160 WeakPolarHBondContact O-CG1 3.25Å; H156-I160 PolarHBondContact O-N 3.46Å; T157-I160 WeakPolarHBondContact O-CG1 3.44Å; I160-S162 VanDerWaalsContact C-N 3.35Å; I160-L163 CarbonylContact O-C 3.57Å; I160-L163 PolarHBondContact O-N 3.17Å; I160-G164 PolarHBondContact O-N 2.89Å; I160-G164 VanDerWaalsContact O-N 3.17Å; I160-I165 HydrophobicContact CB-CB 4.43Å; I160-I165 HydrophobicContact CB-CD1 4.05Å; I160-I165 HydrophobicContact CG2-CD1 4.24Å; I160-I165 WeakPolarHBondContact O-CB 3.45Å; I160-I165 PolarHBondContact O-N 3.23Å; I160-L168 HydrophobicContact CD1-CD1 3.5Å; I160-L168 HydrophobicContact CD1-CD2 4.22Å; I160-L168 HydrophobicContact CD1-CG 4.44Å; I160-F201 HydrophobicContact CD1-CE2 4.26Å; I160-F201 HydrophobicContact CD1-CZ 3.85Å; I160-F201 HydrophobicContact CG1-CE2 4.27Å; I160-F201 HydrophobicContact CG1-CZ 3.92Å |
| 161 | R | 85.2 | Confident | 85.6 | Confident | 80 Ų | 80 | 19.2 Ų | 19.2 | 30% | 0.302 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 175.9 | -174.8 | 65.3 | -171.7 | 137.3 | -3 | 111.7 | T157 L158 L159 G164 I165 V199 G200 F201 | T157-R161 WeakPolarHBondContact O-CB 3.29Å; T157-R161 PolarHBondContact O-N 3.06Å; L158-R161 PolarHBondContact O-N 2.97Å; L159-R161 PolarHBondContact O-N 2.95Å; R161-G164 VanDerWaalsContact O-CA 3.25Å; R161-G164 WeakPolarHBondContact O-CA 3.36Å; R161-G164 PolarHBondContact O-N 3.28Å; R161-I165 PolarHBondContact NH1-O 3.24Å; R161-V199 HydrophobicContact CB-CG1 3.62Å; R161-V199 HydrophobicContact CG-CG1 3.77Å; R161-G200 PolarHBondContact NE-O 3.23Å; R161-G200 VanDerWaalsContact NE-O 3.09Å; R161-G200 PolarHBondContact NH2-O 3.4Å; R161-F201 HydrophobicContact CB-CD2 4.43Å; R161-F201 HydrophobicContact CB-CE2 3.61Å; R161-F201 HydrophobicContact CB-CZ 3.73Å; R161-F201 HydrophobicContact CG-CE2 4.18Å; R161-F201 HydrophobicContact CG-CZ 4.3Å |
| 162 | S | 78.1 | Confident | 86.5 | Confident | 22 Ų | 22 | 19 Ų | 19 | 15% | 0.154 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.2 | -36.6 | 179.1 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | L158 L159 I160 G164 F357 A437 | L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.49Å; L158-S162 PolarHBondContact O-N 3.49Å; L158-S162 PolarHBondContact O-OG 2.79Å; L159-S162 CarbonylContact O-C 3.59Å; L159-S162 WeakPolarHBondContact O-CB 3.45Å; L159-S162 PolarHBondContact O-N 3.19Å; I160-S162 VanDerWaalsContact C-N 3.35Å; S162-G164 PolarHBondContact O-N 3.35Å; S162-F357 VanDerWaalsContact OG-CZ 3.31Å; S162-F357 WeakPolarHBondContact OG-CZ 3.38Å; S162-A437 VanDerWaalsContact OG-CB 3.25Å; S162-A437 WeakPolarHBondContact OG-CB 3.36Å |
| 163 | L | 77.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 3.9 | 168.6 | -64.5 | 169.7 | 0 | 0 | 0 | 111.8 | I123 A126 L159 I160 I165 R425 | I123-L163 HydrophobicContact CG2-CD1 4.22Å; I123-L163 HydrophobicContact CG2-CD2 4.26Å; A126-L163 HydrophobicContact CB-CD1 3.4Å; L159-L163 WeakPolarHBondContact O-CB 3.42Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.27Å; L159-L163 PolarHBondContact O-N 3.11Å; I160-L163 CarbonylContact O-C 3.57Å; I160-L163 PolarHBondContact O-N 3.17Å; L163-I165 PolarHBondContact O-N 2.78Å; L163-R425 VanDerWaalsContact C-CD 3.47Å; L163-R425 WeakPolarHBondContact O-CD 3.04Å; L163-R425 PolarHBondContact O-NE 2.65Å; L163-R425 PolarHBondContact O-NH1 3.47Å |
| 164 | G | 77.9 | Confident | 87.6 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 16% | 0.155 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 21.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I160 R161 S162 T166 R425 | I160-G164 PolarHBondContact O-N 2.89Å; I160-G164 VanDerWaalsContact O-N 3.17Å; R161-G164 VanDerWaalsContact O-CA 3.25Å; R161-G164 WeakPolarHBondContact O-CA 3.36Å; R161-G164 PolarHBondContact O-N 3.28Å; S162-G164 PolarHBondContact O-N 3.35Å; G164-T166 PolarHBondContact O-N 3.38Å; G164-R425 PolarHBondContact O-NH2 3.42Å |
| 165 | I | 84.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 10% | 0.095 | C | C | . | . | trans | -61.7 | 126.8 | 163.1 | -60.7 | -175.8 | 0 | 0 | 0 | 107.9 | V31 A129 A132 I160 R161 L163 Q167 F201 | V31-I165 HydrophobicContact CG1-CD1 3.64Å; A129-I165 HydrophobicContact CB-CD1 3.94Å; A132-I165 HydrophobicContact CB-CD1 3.96Å; A132-I165 HydrophobicContact CB-CG2 3.88Å; I160-I165 HydrophobicContact CB-CB 4.43Å; I160-I165 HydrophobicContact CB-CD1 4.05Å; I160-I165 HydrophobicContact CG2-CD1 4.24Å; I160-I165 WeakPolarHBondContact O-CB 3.45Å; I160-I165 PolarHBondContact O-N 3.23Å; R161-I165 PolarHBondContact NH1-O 3.24Å; L163-I165 PolarHBondContact O-N 2.78Å; I165-Q167 WeakPolarHBondContact CG2-O 3.25Å; I165-F201 WeakPolarHBondContact O-CE1 3.33Å | ||
| 166 | T | 82.2 | Confident | 88.6 | Confident | 93 Ų | 93 | 18.8 Ų | 18.8 | 57% | 0.571 | 10% | 0.1 | S | C | * | . | trans | -103.2 | -28.3 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | G164 | G164-T166 PolarHBondContact O-N 3.38Š| ||
| 167 | Q | 89.5 | Confident | 89 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.9 | -178.7 | -61 | -165.3 | 73 | 0 | 0 | 110.3 | V131 A132 I165 M244 E245 | V131-Q167 HydrophobicContact CG1-CB 4.23Å; V131-Q167 HydrophobicContact CG2-CB 4.16Å; A132-Q167 PolarHBondContact N-O 2.73Å; I165-Q167 WeakPolarHBondContact CG2-O 3.25Å; Q167-M244 HydrophobicContact CB-SD 4.14Å; Q167-E245 PolarHBondContact NE2-O 3.31Å |
| 168 | L | 93.8 | Very high | 89.3 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 122.9 | -175.6 | -179.4 | 62.8 | 0 | 0 | 0 | 110.1 | A132 L134 I160 I170 L196 F201 | A132-L168 HydrophobicContact CB-CD1 3.77Å; A132-L168 WeakPolarHBondContact O-CA 3.36Å; A132-L168 WeakPolarHBondContact O-CD1 3.49Å; L134-L168 HydrophobicContact CB-CD1 3.95Å; I160-L168 HydrophobicContact CD1-CD1 3.5Å; I160-L168 HydrophobicContact CD1-CD2 4.22Å; I160-L168 HydrophobicContact CD1-CG 4.44Å; L168-I170 HydrophobicContact CD1-CD1 4.31Å; L168-I170 HydrophobicContact CD2-CD1 3.77Å; L168-I170 HydrophobicContact CG-CD1 3.7Å; L168-L196 HydrophobicContact CD2-CD1 4.45Å; L168-L196 HydrophobicContact CD2-CD2 3.53Å; L168-F201 HydrophobicContact CB-CD1 3.94Å; L168-F201 HydrophobicContact CB-CE1 3.82Å; L168-F201 HydrophobicContact CB-CZ 4.36Å; L168-F201 HydrophobicContact CD2-CD1 4.12Å; L168-F201 HydrophobicContact CD2-CD2 3.84Å; L168-F201 HydrophobicContact CD2-CE1 4.08Å; L168-F201 HydrophobicContact CD2-CE2 3.77Å; L168-F201 HydrophobicContact CD2-CG 4.01Å; L168-F201 HydrophobicContact CD2-CZ 3.91Å |
| 169 | L | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 140.4 | 170.7 | -171.8 | 53.4 | 0 | 0 | 0 | 110.1 | A132 L133 L134 L206 V208 L237 A240 L241 M244 | A132-L169 PolarHBondContact O-N 2.83Å; L133-L169 HydrophobicContact CD1-CB 3.83Å; L133-L169 HydrophobicContact CD1-CD2 3.94Å; L133-L169 HydrophobicContact CD1-CG 3.76Å; L134-L169 PolarHBondContact N-O 3.36Å; L169-L206 HydrophobicContact CD1-CB 3.58Å; L169-V208 HydrophobicContact CD1-CG2 4.07Å; L169-L237 HydrophobicContact CD2-CD1 3.77Å; L169-L237 HydrophobicContact CG-CD1 4.45Å; L169-A240 HydrophobicContact CD1-CB 3.74Å; L169-A240 HydrophobicContact CD2-CB 3.83Å; L169-A240 HydrophobicContact CG-CB 4.47Å; L169-L241 HydrophobicContact CD2-CD2 3.65Å; L169-L241 HydrophobicContact CD2-CG 3.71Å; L169-M244 HydrophobicContact CB-CE 3.59Å; L169-M244 HydrophobicContact CD1-CE 4.21Å; L169-M244 HydrophobicContact CD2-CE 4.05Å; L169-M244 HydrophobicContact CG-CE 4.17Å |
| 170 | I | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.2 | 176.8 | -44.4 | -58.2 | 0 | 0 | 0 | 109.5 | L134 V136 L168 V172 L196 C205 L206 F207 V208 | L134-I170 HydrophobicContact CB-CD1 3.76Å; L134-I170 HydrophobicContact CD2-CD1 3.88Å; L134-I170 HydrophobicContact CG-CD1 4.4Å; L134-I170 WeakPolarHBondContact O-CA 3.39Å; V136-I170 HydrophobicContact CG2-CG2 3.86Å; L168-I170 HydrophobicContact CD1-CD1 4.31Å; L168-I170 HydrophobicContact CD2-CD1 3.77Å; L168-I170 HydrophobicContact CG-CD1 3.7Å; I170-V172 HydrophobicContact CG2-CG2 4.45Å; I170-L196 HydrophobicContact CD1-CD1 3.91Å; I170-L196 HydrophobicContact CG1-CD1 4.12Å; I170-C205 HydrophobicContact CG1-CB 4.47Å; I170-L206 PolarHBondContact N-O 3.19Å; I170-F207 HydrophobicContact CB-CD1 3.69Å; I170-F207 HydrophobicContact CB-CE1 3.89Å; I170-F207 HydrophobicContact CB-CG 4.06Å; I170-F207 HydrophobicContact CB-CZ 4.43Å; I170-F207 HydrophobicContact CG1-CD1 4.08Å; I170-F207 HydrophobicContact CG1-CD2 4.4Å; I170-F207 HydrophobicContact CG1-CE1 3.84Å; I170-F207 HydrophobicContact CG1-CE2 4.18Å; I170-F207 HydrophobicContact CG1-CG 4.36Å; I170-F207 HydrophobicContact CG1-CZ 3.9Å; I170-F207 HydrophobicContact CG2-CD1 3.65Å; I170-F207 HydrophobicContact CG2-CE1 3.71Å; I170-F207 HydrophobicContact CG2-CG 4.49Å; I170-F207 CarbonylContact O-C 3.58Å; I170-F207 WeakPolarHBondContact O-CA 3.13Å; I170-V208 PolarHBondContact O-N 3.07Å |
| 171 | A | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L43 L133 L134 V135 V136 N173 V208 L237 | L43-A171 HydrophobicContact CD2-CB 4.05Å; L133-A171 HydrophobicContact CD1-CB 3.83Å; L133-A171 HydrophobicContact CG-CB 4.47Å; L134-A171 PolarHBondContact O-N 2.97Å; V135-A171 WeakPolarHBondContact CA-O 2.9Å; V136-A171 PolarHBondContact N-O 3.22Å; A171-N173 PolarHBondContact O-N 2.88Å; A171-V208 WeakPolarHBondContact CA-O 3.25Å; A171-L237 HydrophobicContact CB-CD1 4.23Å |
| 172 | V | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 95.9 | 170.9 | -175 | 0 | 0 | 0 | 0 | 107.1 | V136 A138 I170 M175 F185 I188 F207 V208 P209 C210 | V136-V172 CarbonylContact O-C 3.55Å; V136-V172 WeakPolarHBondContact O-CA 3.14Å; A138-V172 HydrophobicContact CB-CG1 3.95Å; I170-V172 HydrophobicContact CG2-CG2 4.45Å; V172-M175 HydrophobicContact CG1-CG 4.34Å; V172-M175 HydrophobicContact CG1-SD 3.66Å; V172-M175 WeakPolarHBondContact O-CG 3.4Å; V172-F185 HydrophobicContact CB-CD2 3.99Å; V172-F185 HydrophobicContact CB-CE2 3.96Å; V172-F185 HydrophobicContact CG1-CD2 4.11Å; V172-F185 HydrophobicContact CG2-CD2 3.93Å; V172-F185 HydrophobicContact CG2-CE2 3.65Å; V172-I188 HydrophobicContact CG1-CD1 3.97Å; V172-I188 HydrophobicContact CG1-CG2 4.35Å; V172-I188 HydrophobicContact CG2-CG2 4.14Å; V172-F207 HydrophobicContact CG2-CD1 4.33Å; V172-V208 PolarHBondContact N-O 2.89Å; V172-P209 WeakPolarHBondContact O-CA 3.49Å; V172-C210 PolarHBondContact O-N 2.93Å |
| 173 | N | 96.7 | Very high | 92 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 166.1 | -173.2 | -165.9 | 19.6 | 0 | 0 | 0 | 111.9 | A38 V135 V136 A138 A171 M175 C210 S211 G212 | A38-N173 PolarHBondContact O-ND2 3.35Å; V135-N173 HydrophobicContact CG1-CB 3.67Å; V136-N173 PolarHBondContact O-N 3.49Å; A138-N173 WeakPolarHBondContact CB-O 3.29Å; A138-N173 PolarHBondContact N-O 2.99Å; A171-N173 PolarHBondContact O-N 2.88Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 2.95Å; N173-C210 CarbonylContact C-O 3.56Å; N173-C210 WeakPolarHBondContact CA-O 3.39Å; N173-S211 WeakPolarHBondContact OD1-CA 3.4Å; N173-G212 PolarHBondContact OD1-N 3.12Å |
| 174 | K | 95 | Very high | 92.9 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 22% | 0.217 | 20% | 0.203 | C | C | . | . | trans | 60.8 | 31.3 | -178 | -52 | -165.5 | -168.2 | 176.1 | 0 | 113.8 | D37 N137 E142 D176 T177 C210 | D37-K174 WeakPolarHBondContact O-CE 2.87Å; D37-K174 PolarHBondContact O-NZ 2.84Å; N137-K174 VanDerWaalsContact ND2-CE 3.32Å; N137-K174 WeakPolarHBondContact ND2-CE 3.19Å; N137-K174 PolarHBondContact ND2-NZ 3.45Å; N137-K174 VanDerWaalsContact ND2-NZ 3.19Å; E142-K174 IonicContact OE2-NZ 3.35Å; E142-K174 PolarHBondContact OE2-NZ 3.34Å; K174-D176 VanDerWaalsContact C-OD1 3.28Å; K174-D176 VanDerWaalsContact CA-OD1 3.31Å; K174-D176 WeakPolarHBondContact CA-OD1 3.26Å; K174-D176 PolarHBondContact O-N 2.91Å; K174-T177 HydrophobicContact CB-CG2 4.01Å; K174-T177 WeakPolarHBondContact O-CB 3.28Å; K174-T177 PolarHBondContact O-N 3.31Å; K174-T177 PolarHBondContact O-OG1 3.23Å; K174-C210 PolarHBondContact N-O 3.31Å | ||
| 175 | M | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -62.4 | -22.7 | 178.7 | -74 | -65 | -60.5 | 0 | 0 | 113.1 | A138 V172 N173 T177 V178 E179 W180 F185 P209 C210 W231 | A138-M175 HydrophobicContact CB-CG 4.36Å; A138-M175 HydrophobicContact CB-SD 3.6Å; A138-M175 VanDerWaalsContact CB-SD 3.6Å; V172-M175 HydrophobicContact CG1-CG 4.34Å; V172-M175 HydrophobicContact CG1-SD 3.66Å; V172-M175 WeakPolarHBondContact O-CG 3.4Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 2.95Å; M175-T177 VanDerWaalsContact C-N 3.26Å; M175-T177 PolarHBondContact O-N 3.43Å; M175-V178 HydrophobicContact CE-CG2 4.17Å; M175-V178 CarbonylContact O-C 3.43Å; M175-V178 VanDerWaalsContact O-CG2 3.31Å; M175-V178 WeakPolarHBondContact O-CG2 3.38Å; M175-V178 PolarHBondContact O-N 3.25Å; M175-V178 HydrophobicContact SD-CG2 4.1Å; M175-E179 PolarHBondContact O-N 3.3Å; M175-W180 HydrophobicContact CB-CD2 3.89Å; M175-W180 HydrophobicContact CB-CE3 3.33Å; M175-W180 HydrophobicContact CB-CH2 3.99Å; M175-W180 HydrophobicContact CB-CZ2 4.45Å; M175-W180 HydrophobicContact CB-CZ3 3.41Å; M175-W180 VanDerWaalsContact CB-CZ3 3.41Å; M175-W180 HydrophobicContact CG-CE3 4.21Å; M175-W180 HydrophobicContact CG-CZ3 4.17Å; M175-W180 PolarHBondContact O-N 3.01Å; M175-F185 HydrophobicContact CE-CB 3.96Å; M175-F185 HydrophobicContact SD-CD2 4.46Å; M175-P209 HydrophobicContact CE-CB 4.37Å; M175-P209 HydrophobicContact CG-CB 3.9Å; M175-P209 HydrophobicContact SD-CB 4.42Å; M175-C210 PolarHBondContact N-O 3.35Å; M175-W231 HydrophobicContact CE-CH2 4.49Å; M175-W231 HydrophobicContact CE-CZ2 4.17Å |
| 176 | D | 92.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -58.7 | -34.8 | 171.1 | 55.7 | -68.5 | 0 | 0 | 0 | 112.7 | K174 V178 E179 W180 S211 T214 | K174-D176 VanDerWaalsContact C-OD1 3.28Å; K174-D176 VanDerWaalsContact CA-OD1 3.31Å; K174-D176 WeakPolarHBondContact CA-OD1 3.26Å; K174-D176 PolarHBondContact O-N 2.91Å; D176-V178 PolarHBondContact O-N 3.44Å; D176-E179 PolarHBondContact O-N 3.12Å; D176-W180 HydrophobicContact CB-CZ2 4.41Å; D176-S211 WeakPolarHBondContact OD1-CB 3.41Å; D176-S211 PolarHBondContact OD1-OG 2.76Å; D176-T214 HydrophobicContact CB-CG2 4.32Å |
| 177 | T | 94.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 43% | 0.429 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -72.1 | -14.7 | 179.4 | 68.6 | 0 | 0 | 0 | 0 | 114 | T139 K174 M175 | T139-T177 PolarHBondContact OG1-OG1 3.18Å; K174-T177 HydrophobicContact CB-CG2 4.01Å; K174-T177 WeakPolarHBondContact O-CB 3.28Å; K174-T177 PolarHBondContact O-N 3.31Å; K174-T177 PolarHBondContact O-OG1 3.23Å; M175-T177 VanDerWaalsContact C-N 3.26Å; M175-T177 PolarHBondContact O-N 3.43Å |
| 178 | V | 94.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -118.4 | 24.9 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | A138 M175 D176 W180 S181 R184 | A138-V178 HydrophobicContact CB-CG2 3.94Å; M175-V178 HydrophobicContact CE-CG2 4.17Å; M175-V178 CarbonylContact O-C 3.43Å; M175-V178 VanDerWaalsContact O-CG2 3.31Å; M175-V178 WeakPolarHBondContact O-CG2 3.38Å; M175-V178 PolarHBondContact O-N 3.25Å; M175-V178 HydrophobicContact SD-CG2 4.1Å; D176-V178 PolarHBondContact O-N 3.44Å; V178-W180 PolarHBondContact O-N 3.3Å; V178-S181 VanDerWaalsContact O-CB 3.26Å; V178-S181 WeakPolarHBondContact O-CB 2.98Å; V178-S181 PolarHBondContact O-N 2.88Å; V178-R184 HydrophobicContact CB-CG 4.39Å; V178-R184 HydrophobicContact CG1-CG 4.31Å; V178-R184 HydrophobicContact CG2-CG 4.27Å |
| 179 | E | 93.1 | Very high | 95.4 | Very high | 169 Ų | 169 | 42.9 Ų | 42.9 | 79% | 0.79 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33 | 177 | -58.7 | 179 | 179.5 | 0 | 0 | 113.1 | M175 D176 S181 | M175-E179 PolarHBondContact O-N 3.3Å; D176-E179 PolarHBondContact O-N 3.12Å; E179-S181 PolarHBondContact O-N 3.17Å |
| 180 | W | 93.6 | Very high | 95.3 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 32.7 | -177.8 | -56 | 91.5 | 0 | 0 | 0 | 114.1 | M175 D176 V178 Q182 E216 P227 L228 W231 | M175-W180 HydrophobicContact CB-CD2 3.89Å; M175-W180 HydrophobicContact CB-CE3 3.33Å; M175-W180 HydrophobicContact CB-CH2 3.99Å; M175-W180 HydrophobicContact CB-CZ2 4.45Å; M175-W180 HydrophobicContact CB-CZ3 3.41Å; M175-W180 VanDerWaalsContact CB-CZ3 3.41Å; M175-W180 HydrophobicContact CG-CE3 4.21Å; M175-W180 HydrophobicContact CG-CZ3 4.17Å; M175-W180 PolarHBondContact O-N 3.01Å; D176-W180 HydrophobicContact CB-CZ2 4.41Å; V178-W180 PolarHBondContact O-N 3.3Å; W180-Q182 PolarHBondContact O-N 2.88Å; W180-E216 HydrophobicContact CH2-CB 3.36Å; W180-E216 HydrophobicContact CH2-CG 4.17Å; W180-E216 HydrophobicContact CZ2-CB 3.56Å; W180-E216 HydrophobicContact CZ2-CG 3.84Å; W180-E216 HydrophobicContact CZ3-CB 4.47Å; W180-P227 HydrophobicContact CB-CB 4.16Å; W180-L228 HydrophobicContact CD2-CB 4.03Å; W180-L228 HydrophobicContact CE3-CB 3.62Å; W180-L228 HydrophobicContact CE3-CD1 3.89Å; W180-L228 HydrophobicContact CE3-CD2 3.78Å; W180-L228 HydrophobicContact CE3-CG 3.94Å; W180-L228 HydrophobicContact CG-CB 4.43Å; W180-L228 HydrophobicContact CH2-CD2 4.35Å; W180-L228 HydrophobicContact CZ3-CB 4.15Å; W180-L228 HydrophobicContact CZ3-CD1 4.34Å; W180-L228 HydrophobicContact CZ3-CD2 3.47Å; W180-L228 VanDerWaalsContact CZ3-CD2 3.47Å; W180-L228 HydrophobicContact CZ3-CG 4.16Å; W180-W231 PolarHBondContact O-NE1 3.28Å |
| 181 | S | 94.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | trans | -59.9 | 119.9 | -179.8 | 175 | 0 | 0 | 0 | 0 | 113 | V178 E179 E183 R184 F185 | V178-S181 VanDerWaalsContact O-CB 3.26Å; V178-S181 WeakPolarHBondContact O-CB 2.98Å; V178-S181 PolarHBondContact O-N 2.88Å; E179-S181 PolarHBondContact O-N 3.17Å; S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 2.86Å; S181-E183 PolarHBondContact OG-N 2.76Å; S181-R184 PolarHBondContact O-N 2.79Å; S181-R184 PolarHBondContact OG-N 2.65Å; S181-F185 PolarHBondContact O-N 3.16Å; S181-F185 VanDerWaalsContact O-N 3.15Å | ||
| 182 | Q | 96 | Very high | 95 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 43% | 0.425 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 174.2 | -174.6 | 178 | 15.2 | 0 | 0 | 112.1 | W180 R184 F185 N186 W231 | W180-Q182 PolarHBondContact O-N 2.88Å; Q182-R184 PolarHBondContact O-N 3.34Å; Q182-F185 PolarHBondContact O-N 3.17Å; Q182-N186 WeakPolarHBondContact O-CB 3.12Å; Q182-N186 VanDerWaalsContact O-CG 3.3Å; Q182-N186 PolarHBondContact O-N 2.8Å; Q182-N186 PolarHBondContact O-ND2 3.49Å; Q182-W231 HydrophobicContact CB-CB 4.4Å; Q182-W231 HydrophobicContact CB-CD2 3.63Å; Q182-W231 HydrophobicContact CB-CE3 4.1Å; Q182-W231 HydrophobicContact CB-CG 3.77Å; Q182-W231 HydrophobicContact CB-CZ2 4.37Å; Q182-W231 HydrophobicContact CG-CB 4.25Å; Q182-W231 HydrophobicContact CG-CD2 3.68Å; Q182-W231 HydrophobicContact CG-CE3 3.65Å; Q182-W231 HydrophobicContact CG-CG 3.96Å; Q182-W231 HydrophobicContact CG-CZ3 4.24Å |
| 183 | E | 96.2 | Very high | 94.8 | Very high | 158 Ų | 158 | 53.1 Ų | 53.1 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.2 | -45.9 | 179.5 | -65.5 | 180 | 177.1 | 0 | 0 | 111.2 | S181 N186 E187 | S181-E183 VanDerWaalsContact C-N 3.32Å; S181-E183 PolarHBondContact O-N 2.86Å; S181-E183 PolarHBondContact OG-N 2.76Å; E183-N186 PolarHBondContact O-N 3.07Å; E183-E187 PolarHBondContact O-N 3.27Å |
| 184 | R | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.5 | -178.5 | 53.8 | 172.4 | -177.8 | -2.2 | 111.7 | A138 T139 E144 V178 S181 Q182 N186 E187 I188 | A138-R184 PolarHBondContact O-NE 3.28Å; A138-R184 PolarHBondContact O-NH2 3.33Å; T139-R184 PolarHBondContact O-NH2 3.45Å; E144-R184 IonicContact OE1-CZ 3.81Å; E144-R184 IonicContact OE1-NH1 3.66Å; E144-R184 PolarHBondContact OE1-NH1 2.66Å; E144-R184 IonicContact OE1-NH2 2.81Å; E144-R184 PolarHBondContact OE1-NH2 3.28Å; E144-R184 IonicContact OE2-NH2 3.22Å; E144-R184 PolarHBondContact OE2-NH2 3.17Å; V178-R184 HydrophobicContact CB-CG 4.39Å; V178-R184 HydrophobicContact CG1-CG 4.31Å; V178-R184 HydrophobicContact CG2-CG 4.27Å; S181-R184 PolarHBondContact O-N 2.79Å; S181-R184 PolarHBondContact OG-N 2.65Å; Q182-R184 PolarHBondContact O-N 3.34Å; R184-N186 PolarHBondContact O-N 2.78Å; R184-E187 IonicContact CZ-OE2 2.84Å; R184-E187 IonicContact NH1-OE1 2.96Å; R184-E187 IonicContact NH1-OE2 3.5Å; R184-E187 PolarHBondContact NH1-OE2 3.19Å; R184-E187 PolarHBondContact O-N 3.5Å; R184-I188 HydrophobicContact CG-CD1 4.11Å; R184-I188 WeakPolarHBondContact O-CG1 3.45Å; R184-I188 PolarHBondContact O-N 2.93Å; R184-I188 VanDerWaalsContact O-N 3.08Å |
| 185 | F | 96.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.8 | 177.4 | -99.9 | 0 | 0 | 0 | 111.9 | V172 M175 S181 Q182 I188 K189 F207 P209 W231 | V172-F185 HydrophobicContact CB-CD2 3.99Å; V172-F185 HydrophobicContact CB-CE2 3.96Å; V172-F185 HydrophobicContact CG1-CD2 4.11Å; V172-F185 HydrophobicContact CG2-CD2 3.93Å; V172-F185 HydrophobicContact CG2-CE2 3.65Å; M175-F185 HydrophobicContact CE-CB 3.96Å; M175-F185 HydrophobicContact SD-CD2 4.46Å; S181-F185 PolarHBondContact O-N 3.16Å; S181-F185 VanDerWaalsContact O-N 3.15Å; Q182-F185 PolarHBondContact O-N 3.17Å; F185-I188 PolarHBondContact O-N 3.21Å; F185-K189 HydrophobicContact CE1-CD 4.23Å; F185-K189 WeakPolarHBondContact O-CB 3.44Å; F185-K189 PolarHBondContact O-N 2.68Å; F185-F207 HydrophobicContact CE2-CB 4.26Å; F185-F207 HydrophobicContact CZ-CB 3.73Å; F185-P209 HydrophobicContact CD2-CB 3.78Å; F185-P209 HydrophobicContact CD2-CG 4.34Å; F185-P209 HydrophobicContact CE2-CB 3.73Å; F185-P209 HydrophobicContact CE2-CG 3.97Å; F185-P209 HydrophobicContact CZ-CG 4.29Å; F185-W231 HydrophobicContact CB-CH2 3.66Å; F185-W231 HydrophobicContact CB-CZ2 4.32Å; F185-W231 HydrophobicContact CB-CZ3 4.33Å; F185-W231 AromaticContact CD1-CH2 3.66Å; F185-W231 HydrophobicContact CD1-CH2 3.66Å; F185-W231 AromaticContact CD1-CZ3 3.59Å; F185-W231 HydrophobicContact CD1-CZ3 3.59Å; F185-W231 HydrophobicContact CD2-CH2 4.21Å; F185-W231 HydrophobicContact CE1-CH2 4.33Å; F185-W231 HydrophobicContact CE1-CZ3 4.05Å; F185-W231 AromaticContact CG-CH2 3.58Å; F185-W231 HydrophobicContact CG-CH2 3.58Å; F185-W231 HydrophobicContact CG-CZ3 4.03Å |
| 186 | N | 96.2 | Very high | 94 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.4 | -73.1 | -23.6 | 0 | 0 | 0 | 112 | Q182 E183 R184 I188 K189 D190 | Q182-N186 WeakPolarHBondContact O-CB 3.12Å; Q182-N186 VanDerWaalsContact O-CG 3.3Å; Q182-N186 PolarHBondContact O-N 2.8Å; Q182-N186 PolarHBondContact O-ND2 3.49Å; E183-N186 PolarHBondContact O-N 3.07Å; R184-N186 PolarHBondContact O-N 2.78Å; N186-I188 PolarHBondContact O-N 2.92Å; N186-K189 PolarHBondContact O-N 3.06Å; N186-D190 WeakPolarHBondContact O-CB 2.88Å; N186-D190 PolarHBondContact O-N 3.22Å |
| 187 | E | 95.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 174.4 | -174.3 | -166.2 | -180 | 0 | 0 | 111.7 | E183 R184 D190 R191 | E183-E187 PolarHBondContact O-N 3.27Å; R184-E187 IonicContact CZ-OE2 2.84Å; R184-E187 IonicContact NH1-OE1 2.96Å; R184-E187 IonicContact NH1-OE2 3.5Å; R184-E187 PolarHBondContact NH1-OE2 3.19Å; R184-E187 PolarHBondContact O-N 3.5Å; E187-D190 PolarHBondContact O-N 3.04Å; E187-R191 WeakPolarHBondContact O-CG 3.4Å; E187-R191 PolarHBondContact O-N 2.96Å; E187-R191 IonicContact OE1-CZ 3.86Å; E187-R191 IonicContact OE1-NE 3.79Å; E187-R191 PolarHBondContact OE1-NE 2.99Å; E187-R191 IonicContact OE1-NH2 3.04Å; E187-R191 PolarHBondContact OE1-NH2 3.04Å |
| 188 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 178.2 | -69.2 | 167.7 | 0 | 0 | 0 | 110.2 | V136 A138 F143 V172 R184 F185 N186 D190 R191 V192 | V136-I188 HydrophobicContact CG1-CG2 3.89Å; A138-I188 HydrophobicContact CB-CD1 4.13Å; F143-I188 HydrophobicContact CD1-CG1 4.29Å; F143-I188 HydrophobicContact CD2-CD1 4.36Å; F143-I188 HydrophobicContact CD2-CG1 4.01Å; F143-I188 HydrophobicContact CD2-CG2 4.3Å; F143-I188 HydrophobicContact CE1-CG1 4.23Å; F143-I188 HydrophobicContact CE2-CB 4.27Å; F143-I188 HydrophobicContact CE2-CG1 3.95Å; F143-I188 HydrophobicContact CE2-CG2 3.75Å; F143-I188 HydrophobicContact CG-CG1 4.19Å; F143-I188 HydrophobicContact CZ-CB 4.37Å; F143-I188 HydrophobicContact CZ-CG1 4.06Å; F143-I188 HydrophobicContact CZ-CG2 4.24Å; V172-I188 HydrophobicContact CG1-CD1 3.97Å; V172-I188 HydrophobicContact CG1-CG2 4.35Å; V172-I188 HydrophobicContact CG2-CG2 4.14Å; R184-I188 HydrophobicContact CG-CD1 4.11Å; R184-I188 WeakPolarHBondContact O-CG1 3.45Å; R184-I188 PolarHBondContact O-N 2.93Å; R184-I188 VanDerWaalsContact O-N 3.08Å; F185-I188 PolarHBondContact O-N 3.21Å; N186-I188 PolarHBondContact O-N 2.92Å; I188-D190 VanDerWaalsContact C-N 3.28Å; I188-D190 PolarHBondContact O-N 3.35Å; I188-R191 PolarHBondContact O-N 2.67Å; I188-V192 HydrophobicContact CG2-CG2 4.05Å; I188-V192 VanDerWaalsContact O-CB 3.31Å; I188-V192 WeakPolarHBondContact O-CB 3.39Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.34Å; I188-V192 PolarHBondContact O-N 3.45Å |
| 189 | K | 94.7 | Very high | 92.8 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56 | -42.8 | 178.5 | -177.6 | 179 | 178.1 | -177.9 | 0 | 111.7 | F185 N186 G193 F207 | F185-K189 HydrophobicContact CE1-CD 4.23Å; F185-K189 WeakPolarHBondContact O-CB 3.44Å; F185-K189 PolarHBondContact O-N 2.68Å; N186-K189 PolarHBondContact O-N 3.06Å; K189-G193 VanDerWaalsContact O-CA 3.32Å; K189-G193 WeakPolarHBondContact O-CA 3.42Å; K189-G193 PolarHBondContact O-N 3.44Å; K189-F207 HydrophobicContact CB-CD1 4.17Å; K189-F207 HydrophobicContact CB-CE1 4.34Å; K189-F207 HydrophobicContact CB-CG 4.48Å; K189-F207 HydrophobicContact CD-CG 4.44Å; K189-F207 HydrophobicContact CG-CD1 4.06Å; K189-F207 HydrophobicContact CG-CD2 3.99Å; K189-F207 HydrophobicContact CG-CE1 4.22Å; K189-F207 HydrophobicContact CG-CE2 4.16Å; K189-F207 HydrophobicContact CG-CG 3.94Å; K189-F207 HydrophobicContact CG-CZ 4.27Å |
| 190 | D | 93.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 61.1 Ų | 61.1 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | 179.3 | -78.7 | -13.5 | 0 | 0 | 0 | 112.7 | N186 E187 I188 K194 | N186-D190 WeakPolarHBondContact O-CB 2.88Å; N186-D190 PolarHBondContact O-N 3.22Å; E187-D190 PolarHBondContact O-N 3.04Å; I188-D190 VanDerWaalsContact C-N 3.28Å; I188-D190 PolarHBondContact O-N 3.35Å; D190-K194 WeakPolarHBondContact O-CB 3.41Å; D190-K194 VanDerWaalsContact O-CG 3.24Å; D190-K194 WeakPolarHBondContact O-CG 3.35Å; D190-K194 PolarHBondContact O-N 3.09Å |
| 191 | R | 93 | Very high | 91.9 | Very high | 99 Ų | 99 | 60.4 Ų | 60.4 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 179.1 | -73.5 | -179.9 | -176.9 | -147.6 | 11.7 | 111.4 | F143 F147 E187 I188 K194 F195 | F143-R191 HydrophobicContact CZ-CB 4.2Å; F147-R191 HydrophobicContact CE1-CB 4.02Å; F147-R191 HydrophobicContact CZ-CB 4.48Å; F147-R191 WeakPolarHBondContact CZ-O 3.46Å; E187-R191 WeakPolarHBondContact O-CG 3.4Å; E187-R191 PolarHBondContact O-N 2.96Å; E187-R191 IonicContact OE1-CZ 3.86Å; E187-R191 IonicContact OE1-NE 3.79Å; E187-R191 PolarHBondContact OE1-NE 2.99Å; E187-R191 IonicContact OE1-NH2 3.04Å; E187-R191 PolarHBondContact OE1-NH2 3.04Å; I188-R191 PolarHBondContact O-N 2.67Å; R191-K194 PolarHBondContact O-N 3.31Å; R191-F195 PolarHBondContact O-N 2.96Å |
| 192 | V | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 178.4 | 176.1 | 0 | 0 | 0 | 0 | 110 | V136 F143 F147 I188 K194 F195 L196 F207 | V136-V192 HydrophobicContact CG1-CG2 4.47Å; F143-V192 HydrophobicContact CE2-CG2 3.93Å; F143-V192 HydrophobicContact CZ-CG2 4.18Å; F147-V192 HydrophobicContact CD2-CG2 4.17Å; F147-V192 HydrophobicContact CE2-CB 4.41Å; F147-V192 HydrophobicContact CE2-CG2 3.91Å; F147-V192 HydrophobicContact CZ-CG2 4.43Å; I188-V192 HydrophobicContact CG2-CG2 4.05Å; I188-V192 VanDerWaalsContact O-CB 3.31Å; I188-V192 WeakPolarHBondContact O-CB 3.39Å; I188-V192 VanDerWaalsContact O-CG2 3.3Å; I188-V192 WeakPolarHBondContact O-CG2 3.34Å; I188-V192 PolarHBondContact O-N 3.45Å; V192-K194 VanDerWaalsContact C-N 3.34Å; V192-K194 PolarHBondContact O-N 3.37Å; V192-F195 WeakPolarHBondContact O-CB 3.04Å; V192-F195 PolarHBondContact O-N 3.33Å; V192-L196 HydrophobicContact CG1-CD1 3.93Å; V192-L196 HydrophobicContact CG1-CG 4.02Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.35Å; V192-F207 HydrophobicContact CB-CE1 3.98Å; V192-F207 HydrophobicContact CB-CZ 4.3Å; V192-F207 HydrophobicContact CG1-CE1 3.9Å; V192-F207 HydrophobicContact CG1-CZ 4.06Å |
| 193 | G | 92.8 | Very high | 89.2 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K189 K197 | K189-G193 VanDerWaalsContact O-CA 3.32Å; K189-G193 WeakPolarHBondContact O-CA 3.42Å; K189-G193 PolarHBondContact O-N 3.44Å; G193-K197 WeakPolarHBondContact O-CG 3.09Å; G193-K197 PolarHBondContact O-N 2.93Å |
| 194 | K | 90.5 | Very high | 88.2 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 172.9 | -76.4 | 170.4 | -175 | 172.6 | 0 | 111.8 | D190 R191 V192 Q198 | D190-K194 WeakPolarHBondContact O-CB 3.41Å; D190-K194 VanDerWaalsContact O-CG 3.24Å; D190-K194 WeakPolarHBondContact O-CG 3.35Å; D190-K194 PolarHBondContact O-N 3.09Å; R191-K194 PolarHBondContact O-N 3.31Å; V192-K194 VanDerWaalsContact C-N 3.34Å; V192-K194 PolarHBondContact O-N 3.37Å; K194-Q198 WeakPolarHBondContact O-CG 3.44Å; K194-Q198 PolarHBondContact O-N 3.15Å |
| 195 | F | 89.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 178 | 173.6 | -111.4 | 0 | 0 | 0 | 112.6 | F147 R154 T157 R191 V192 K197 Q198 V199 | F147-F195 HydrophobicContact CE2-CB 3.97Å; F147-F195 AromaticContact CE2-CD1 3.88Å; F147-F195 HydrophobicContact CE2-CD1 3.88Å; F147-F195 HydrophobicContact CE2-CG 4.08Å; F147-F195 HydrophobicContact CZ-CB 3.58Å; F147-F195 HydrophobicContact CZ-CD1 4.34Å; F147-F195 HydrophobicContact CZ-CG 4.08Å; R154-F195 HydrophobicContact CB-CE1 4.05Å; R154-F195 HydrophobicContact CB-CE2 4.27Å; R154-F195 HydrophobicContact CB-CZ 3.64Å; R154-F195 HydrophobicContact CG-CD1 4.31Å; R154-F195 HydrophobicContact CG-CD2 4.47Å; R154-F195 HydrophobicContact CG-CE1 3.82Å; R154-F195 HydrophobicContact CG-CE2 4Å; R154-F195 HydrophobicContact CG-CZ 3.64Å; T157-F195 HydrophobicContact CG2-CD1 4.38Å; T157-F195 HydrophobicContact CG2-CE1 3.77Å; R191-F195 PolarHBondContact O-N 2.96Å; V192-F195 WeakPolarHBondContact O-CB 3.04Å; V192-F195 PolarHBondContact O-N 3.33Å; F195-K197 VanDerWaalsContact C-N 3.28Å; F195-K197 PolarHBondContact O-N 3.2Å; F195-Q198 WeakPolarHBondContact O-CA 3.46Å; F195-Q198 WeakPolarHBondContact O-CB 3.38Å; F195-Q198 PolarHBondContact O-N 3.32Å; F195-V199 HydrophobicContact CD1-CG2 4.3Å; F195-V199 HydrophobicContact CD2-CG2 4.04Å; F195-V199 HydrophobicContact CE1-CG2 3.84Å; F195-V199 HydrophobicContact CE2-CG2 3.53Å; F195-V199 HydrophobicContact CG-CG2 4.4Å; F195-V199 HydrophobicContact CZ-CG2 3.42Å; F195-V199 VanDerWaalsContact CZ-CG2 3.42Å; F195-V199 WeakPolarHBondContact O-CG2 3.3Å; F195-V199 PolarHBondContact O-N 3.06Å |
| 196 | L | 91.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57 | -41.9 | 176.1 | -69.9 | 179.8 | 0 | 0 | 0 | 111.9 | T157 L168 I170 V192 Q198 V199 G200 F201 C205 F207 | T157-L196 HydrophobicContact CG2-CD2 3.58Å; L168-L196 HydrophobicContact CD2-CD1 4.45Å; L168-L196 HydrophobicContact CD2-CD2 3.53Å; I170-L196 HydrophobicContact CD1-CD1 3.91Å; I170-L196 HydrophobicContact CG1-CD1 4.12Å; V192-L196 HydrophobicContact CG1-CD1 3.93Å; V192-L196 HydrophobicContact CG1-CG 4.02Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.35Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.34Å; L196-V199 PolarHBondContact O-N 3.32Å; L196-G200 PolarHBondContact O-N 3.42Å; L196-F201 HydrophobicContact CB-CB 4.11Å; L196-F201 HydrophobicContact CD2-CB 4.41Å; L196-F201 HydrophobicContact CD2-CD2 3.83Å; L196-F201 HydrophobicContact CD2-CG 4.38Å; L196-F201 PolarHBondContact O-N 3.23Å; L196-C205 HydrophobicContact CD1-CB 3.99Å; L196-F207 HydrophobicContact CD1-CZ 4.02Å |
| 197 | K | 87.8 | Confident | 87.6 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 173.4 | -72.5 | 175.7 | 178.8 | -179.4 | 0 | 112.8 | G193 F195 G200 | G193-K197 WeakPolarHBondContact O-CG 3.09Å; G193-K197 PolarHBondContact O-N 2.93Å; F195-K197 VanDerWaalsContact C-N 3.28Å; F195-K197 PolarHBondContact O-N 3.2Å; K197-G200 PolarHBondContact O-N 3.48Å |
| 198 | Q | 84.6 | Confident | 87.6 | Confident | 157 Ų | 157 | 61.2 Ų | 61.2 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.2 | -38.7 | 178.2 | -69.2 | 173.9 | -6.5 | 0 | 0 | 112.4 | K194 F195 L196 G200 | K194-Q198 WeakPolarHBondContact O-CG 3.44Å; K194-Q198 PolarHBondContact O-N 3.15Å; F195-Q198 WeakPolarHBondContact O-CA 3.46Å; F195-Q198 WeakPolarHBondContact O-CB 3.38Å; F195-Q198 PolarHBondContact O-N 3.32Å; L196-Q198 VanDerWaalsContact C-N 3.34Å; L196-Q198 PolarHBondContact O-N 3.34Å; Q198-G200 PolarHBondContact O-N 3.15Å |
| 199 | V | 83.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72 | -21.4 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | T157 L158 R161 F195 L196 F201 | T157-V199 HydrophobicContact CG2-CG1 4.43Å; L158-V199 HydrophobicContact CD1-CG1 4.04Å; L158-V199 HydrophobicContact CD1-CG2 4.24Å; R161-V199 HydrophobicContact CB-CG1 3.62Å; R161-V199 HydrophobicContact CG-CG1 3.77Å; F195-V199 HydrophobicContact CD1-CG2 4.3Å; F195-V199 HydrophobicContact CD2-CG2 4.04Å; F195-V199 HydrophobicContact CE1-CG2 3.84Å; F195-V199 HydrophobicContact CE2-CG2 3.53Å; F195-V199 HydrophobicContact CG-CG2 4.4Å; F195-V199 HydrophobicContact CZ-CG2 3.42Å; F195-V199 VanDerWaalsContact CZ-CG2 3.42Å; F195-V199 WeakPolarHBondContact O-CG2 3.3Å; F195-V199 PolarHBondContact O-N 3.06Å; L196-V199 PolarHBondContact O-N 3.32Å; V199-F201 HydrophobicContact CB-CD2 4.46Å; V199-F201 HydrophobicContact CG1-CD2 4.06Å; V199-F201 HydrophobicContact CG1-CE2 4.1Å |
| 200 | G | 84 | Confident | 87.8 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 22.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R161 L196 K197 Q198 | R161-G200 PolarHBondContact NE-O 3.23Å; R161-G200 VanDerWaalsContact NE-O 3.09Å; R161-G200 PolarHBondContact NH2-O 3.4Å; L196-G200 PolarHBondContact O-N 3.42Å; K197-G200 PolarHBondContact O-N 3.48Å; Q198-G200 PolarHBondContact O-N 3.15Å |
| 201 | F | 84.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -78.7 | 140.8 | 160.6 | -75.2 | -72.2 | 0 | 0 | 0 | 109.7 | T157 I160 R161 I165 L168 L196 V199 | T157-F201 HydrophobicContact CG2-CD2 4.11Å; T157-F201 HydrophobicContact CG2-CE2 3.78Å; I160-F201 HydrophobicContact CD1-CE2 4.26Å; I160-F201 HydrophobicContact CD1-CZ 3.85Å; I160-F201 HydrophobicContact CG1-CE2 4.27Å; I160-F201 HydrophobicContact CG1-CZ 3.92Å; R161-F201 HydrophobicContact CB-CD2 4.43Å; R161-F201 HydrophobicContact CB-CE2 3.61Å; R161-F201 HydrophobicContact CB-CZ 3.73Å; R161-F201 HydrophobicContact CG-CE2 4.18Å; R161-F201 HydrophobicContact CG-CZ 4.3Å; I165-F201 WeakPolarHBondContact O-CE1 3.33Å; L168-F201 HydrophobicContact CB-CD1 3.94Å; L168-F201 HydrophobicContact CB-CE1 3.82Å; L168-F201 HydrophobicContact CB-CZ 4.36Å; L168-F201 HydrophobicContact CD2-CD1 4.12Å; L168-F201 HydrophobicContact CD2-CD2 3.84Å; L168-F201 HydrophobicContact CD2-CE1 4.08Å; L168-F201 HydrophobicContact CD2-CE2 3.77Å; L168-F201 HydrophobicContact CD2-CG 4.01Å; L168-F201 HydrophobicContact CD2-CZ 3.91Å; L196-F201 HydrophobicContact CB-CB 4.11Å; L196-F201 HydrophobicContact CD2-CB 4.41Å; L196-F201 HydrophobicContact CD2-CD2 3.83Å; L196-F201 HydrophobicContact CD2-CG 4.38Å; L196-F201 PolarHBondContact O-N 3.23Å; V199-F201 HydrophobicContact CB-CD2 4.46Å; V199-F201 HydrophobicContact CG1-CD2 4.06Å; V199-F201 HydrophobicContact CG1-CE2 4.1Å | ||
| 202 | G | 70.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | trans | -68.2 | 167.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K204 C205 | G202-K204 PolarHBondContact O-N 3.37Å; G202-C205 PolarHBondContact O-SG 2.91Å; G202-C205 VanDerWaalsContact O-SG 3.39Å | ||
| 203 | T | 63.5 | Low | 87.6 | Confident | 121 Ų | 121 | 51.9 Ų | 51.9 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7 | 174 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | C205 | T203-C205 VanDerWaalsContact C-N 3.34Å; T203-C205 PolarHBondContact O-N 2.86Å |
| 204 | K | 74.7 | Confident | 87.5 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.8 | -175.7 | -69.3 | -175 | 169.7 | -172.7 | 0 | 115 | G202 L206 E245 | G202-K204 PolarHBondContact O-N 3.37Å; K204-L206 PolarHBondContact O-N 2.97Å; K204-E245 IonicContact NZ-OE1 2.85Å; K204-E245 PolarHBondContact NZ-OE1 2.69Å |
| 205 | C | 87.2 | Confident | 87.5 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | trans | -62.7 | 123.1 | -177.2 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | I170 L196 G202 T203 F207 | I170-C205 HydrophobicContact CG1-CB 4.47Å; L196-C205 HydrophobicContact CD1-CB 3.99Å; G202-C205 PolarHBondContact O-SG 2.91Å; G202-C205 VanDerWaalsContact O-SG 3.39Å; T203-C205 VanDerWaalsContact C-N 3.34Å; T203-C205 PolarHBondContact O-N 2.86Å; C205-F207 HydrophobicContact CB-CE2 4.34Å; C205-F207 WeakPolarHBondContact O-CD2 3.32Å | ||
| 206 | L | 93.2 | Very high | 87.6 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 142.5 | 176 | -67.1 | 175.8 | 0 | 0 | 0 | 110.1 | L169 I170 K204 A240 | L169-L206 HydrophobicContact CD1-CB 3.58Å; I170-L206 PolarHBondContact N-O 3.19Å; K204-L206 PolarHBondContact O-N 2.97Å; L206-A240 HydrophobicContact CD1-CB 4.29Å |
| 207 | F | 95.8 | Very high | 87.8 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.5 | 176.3 | -72 | -105.7 | 0 | 0 | 0 | 108.8 | I170 V172 F185 K189 V192 L196 C205 Y232 | I170-F207 HydrophobicContact CB-CD1 3.69Å; I170-F207 HydrophobicContact CB-CE1 3.89Å; I170-F207 HydrophobicContact CB-CG 4.06Å; I170-F207 HydrophobicContact CB-CZ 4.43Å; I170-F207 HydrophobicContact CG1-CD1 4.08Å; I170-F207 HydrophobicContact CG1-CD2 4.4Å; I170-F207 HydrophobicContact CG1-CE1 3.84Å; I170-F207 HydrophobicContact CG1-CE2 4.18Å; I170-F207 HydrophobicContact CG1-CG 4.36Å; I170-F207 HydrophobicContact CG1-CZ 3.9Å; I170-F207 HydrophobicContact CG2-CD1 3.65Å; I170-F207 HydrophobicContact CG2-CE1 3.71Å; I170-F207 HydrophobicContact CG2-CG 4.49Å; I170-F207 CarbonylContact O-C 3.58Å; I170-F207 WeakPolarHBondContact O-CA 3.13Å; V172-F207 HydrophobicContact CG2-CD1 4.33Å; F185-F207 HydrophobicContact CE2-CB 4.26Å; F185-F207 HydrophobicContact CZ-CB 3.73Å; K189-F207 HydrophobicContact CB-CD1 4.17Å; K189-F207 HydrophobicContact CB-CE1 4.34Å; K189-F207 HydrophobicContact CB-CG 4.48Å; K189-F207 HydrophobicContact CD-CG 4.44Å; K189-F207 HydrophobicContact CG-CD1 4.06Å; K189-F207 HydrophobicContact CG-CD2 3.99Å; K189-F207 HydrophobicContact CG-CE1 4.22Å; K189-F207 HydrophobicContact CG-CE2 4.16Å; K189-F207 HydrophobicContact CG-CG 3.94Å; K189-F207 HydrophobicContact CG-CZ 4.27Å; V192-F207 HydrophobicContact CB-CE1 3.98Å; V192-F207 HydrophobicContact CB-CZ 4.3Å; V192-F207 HydrophobicContact CG1-CE1 3.9Å; V192-F207 HydrophobicContact CG1-CZ 4.06Å; L196-F207 HydrophobicContact CD1-CZ 4.02Å; C205-F207 HydrophobicContact CB-CE2 4.34Å; C205-F207 WeakPolarHBondContact O-CD2 3.32Å; F207-Y232 PolarHBondContact O-OH 3.11Å |
| 208 | V | 96.6 | Very high | 88 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | L169 I170 A171 V172 N217 L237 A240 | L169-V208 HydrophobicContact CD1-CG2 4.07Å; I170-V208 PolarHBondContact O-N 3.07Å; A171-V208 WeakPolarHBondContact CA-O 3.25Å; V172-V208 PolarHBondContact N-O 2.89Å; V208-N217 WeakPolarHBondContact CG1-ND2 3.36Å; V208-L237 HydrophobicContact CG1-CB 4.33Å; V208-A240 HydrophobicContact CG2-CB 3.74Å |
| 209 | P | 96.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.9 | 169.9 | 29.5 | -29.5 | 0 | 0 | 0 | 109.3 | V172 M175 F185 N217 L228 W231 Y232 | V172-P209 WeakPolarHBondContact O-CA 3.49Å; M175-P209 HydrophobicContact CE-CB 4.37Å; M175-P209 HydrophobicContact CG-CB 3.9Å; M175-P209 HydrophobicContact SD-CB 4.42Å; F185-P209 HydrophobicContact CD2-CB 3.78Å; F185-P209 HydrophobicContact CD2-CG 4.34Å; F185-P209 HydrophobicContact CE2-CB 3.73Å; F185-P209 HydrophobicContact CE2-CG 3.97Å; F185-P209 HydrophobicContact CZ-CG 4.29Å; P209-N217 WeakPolarHBondContact O-CB 3.26Å; P209-N217 PolarHBondContact O-ND2 3.18Å; P209-L228 HydrophobicContact CB-CD1 3.99Å; P209-L228 HydrophobicContact CG-CD1 3.61Å; P209-L228 HydrophobicContact CG-CD2 4.26Å; P209-W231 HydrophobicContact CB-CH2 4.21Å; P209-W231 HydrophobicContact CG-CH2 4.02Å; P209-Y232 HydrophobicContact CG-CD1 4.02Å; P209-Y232 HydrophobicContact CG-CD2 3.49Å; P209-Y232 VanDerWaalsContact CG-CD2 3.49Å; P209-Y232 HydrophobicContact CG-CE1 4.13Å; P209-Y232 HydrophobicContact CG-CE2 3.61Å; P209-Y232 HydrophobicContact CG-CG 3.7Å |
| 210 | C | 95.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -150.9 | 171.6 | -179 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | V172 N173 K174 M175 E216 N217 L218 | V172-C210 PolarHBondContact O-N 2.93Å; N173-C210 CarbonylContact C-O 3.56Å; N173-C210 WeakPolarHBondContact CA-O 3.39Å; K174-C210 PolarHBondContact N-O 3.31Å; M175-C210 PolarHBondContact N-O 3.35Å; C210-E216 WeakPolarHBondContact CA-O 3.47Å; C210-E216 WeakPolarHBondContact CB-O 3.46Å; C210-N217 HydrophobicContact CB-CB 4.44Å; C210-L218 HydrophobicContact CB-CD2 3.88Å | ||
| 211 | S | 94.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | trans | -134.9 | 114.6 | 166.5 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | N173 D176 L213 T214 G215 E216 | N173-S211 WeakPolarHBondContact OD1-CA 3.4Å; D176-S211 WeakPolarHBondContact OD1-CB 3.41Å; D176-S211 PolarHBondContact OD1-OG 2.76Å; S211-L213 PolarHBondContact O-N 3.04Å; S211-L213 PolarHBondContact OG-N 2.65Å; S211-T214 VanDerWaalsContact CB-OG1 3.25Å; S211-T214 WeakPolarHBondContact CB-OG1 3.41Å; S211-T214 PolarHBondContact OG-N 3.44Å; S211-T214 PolarHBondContact OG-OG1 2.96Å; S211-G215 WeakPolarHBondContact O-CA 3.28Å; S211-G215 PolarHBondContact O-N 3.06Å; S211-E216 PolarHBondContact N-O 2.92Å; S211-E216 PolarHBondContact O-N 2.73Å | ||
| 212 | G | 92.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L43 H46 N173 | L43-G212 VanDerWaalsContact CD1-CA 3.48Å; H46-G212 WeakPolarHBondContact CB-O 3.14Å; H46-G212 PolarHBondContact ND1-O 3.05Å; N173-G212 PolarHBondContact OD1-N 3.12Å |
| 213 | L | 90.3 | Very high | 88.5 | Confident | 92 Ų | 92 | 46 Ų | 46 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -48.4 | 178.4 | -175 | 63.5 | 0 | 0 | 0 | 111.4 | H46 S211 | H46-L213 PolarHBondContact CE1-O 3.18Å; S211-L213 PolarHBondContact O-N 3.04Å; S211-L213 PolarHBondContact OG-N 2.65Å |
| 214 | T | 89.5 | Confident | 89.3 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -19.5 | -178.4 | 66.4 | 0 | 0 | 0 | 0 | 113.1 | D176 S211 E216 | D176-T214 HydrophobicContact CB-CG2 4.32Å; S211-T214 VanDerWaalsContact CB-OG1 3.25Å; S211-T214 WeakPolarHBondContact CB-OG1 3.41Å; S211-T214 PolarHBondContact OG-N 3.44Å; S211-T214 PolarHBondContact OG-OG1 2.96Å; T214-E216 WeakPolarHBondContact OG1-CB 3.2Å; T214-E216 WeakPolarHBondContact OG1-CG 3.47Å |
| 215 | G | 90.5 | Very high | 89.6 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | trans | 87.1 | 6.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | H46 S211 L218 | H46-G215 WeakPolarHBondContact CE1-CA 3.41Å; H46-G215 PolarHBondContact CE1-N 3.4Å; S211-G215 WeakPolarHBondContact O-CA 3.28Å; S211-G215 PolarHBondContact O-N 3.06Å; G215-L218 WeakPolarHBondContact O-CG 3.34Å | ||
| 216 | E | 93 | Very high | 89.3 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 134.8 | -174.8 | -74.7 | -75.8 | -163.7 | 0 | 0 | 112.7 | W180 C210 S211 T214 L218 P222 | W180-E216 HydrophobicContact CH2-CB 3.36Å; W180-E216 HydrophobicContact CH2-CG 4.17Å; W180-E216 HydrophobicContact CZ2-CB 3.56Å; W180-E216 HydrophobicContact CZ2-CG 3.84Å; W180-E216 HydrophobicContact CZ3-CB 4.47Å; C210-E216 WeakPolarHBondContact CA-O 3.47Å; C210-E216 WeakPolarHBondContact CB-O 3.46Å; S211-E216 PolarHBondContact N-O 2.92Å; S211-E216 PolarHBondContact O-N 2.73Å; T214-E216 WeakPolarHBondContact OG1-CB 3.2Å; T214-E216 WeakPolarHBondContact OG1-CG 3.47Å; E216-L218 PolarHBondContact O-N 2.77Å; E216-P222 WeakPolarHBondContact OE2-CA 3.24Å; E216-P222 WeakPolarHBondContact OE2-CB 3.45Å; E216-P222 WeakPolarHBondContact OE2-CG 3.39Å |
| 217 | N | 93.9 | Very high | 89 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24.1 | -179.7 | -155.7 | 36 | 0 | 0 | 0 | 115.2 | V208 P209 C210 P222 L228 Y232 T236 L237 | V208-N217 WeakPolarHBondContact CG1-ND2 3.36Å; P209-N217 WeakPolarHBondContact O-CB 3.26Å; P209-N217 PolarHBondContact O-ND2 3.18Å; C210-N217 HydrophobicContact CB-CB 4.44Å; N217-P222 HydrophobicContact CB-CG 3.92Å; N217-L228 HydrophobicContact CB-CD2 3.81Å; N217-Y232 WeakPolarHBondContact ND2-CE1 3.3Å; N217-T236 WeakPolarHBondContact OD1-CA 3.31Å; N217-L237 PolarHBondContact O-N 3.5Å |
| 218 | L | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -82.5 | -62.3 | 176.9 | -59 | -171 | 0 | 0 | 0 | 112.1 | L43 H46 L47 I50 C210 G215 E216 L237 I238 | L43-L218 HydrophobicContact CD1-CD1 4.36Å; L43-L218 HydrophobicContact CD1-CD2 3.34Å; L43-L218 HydrophobicContact CD1-CG 4.5Å; H46-L218 HydrophobicContact CB-CD1 4.29Å; L47-L218 HydrophobicContact CD1-CB 4.13Å; I50-L218 HydrophobicContact CD1-CB 4.22Å; I50-L218 HydrophobicContact CD1-CD1 3.9Å; C210-L218 HydrophobicContact CB-CD2 3.88Å; G215-L218 WeakPolarHBondContact O-CG 3.34Å; E216-L218 PolarHBondContact O-N 2.77Å; L218-L237 HydrophobicContact CD2-CD2 4.03Å; L218-L237 PolarHBondContact O-N 2.58Å; L218-I238 PolarHBondContact O-N 3.29Å |
| 219 | N | 90.8 | Very high | 88.2 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -111.3 | -53.2 | -178.8 | -172.9 | 29.5 | 0 | 0 | 0 | 111.7 | I50 T236 | I50-N219 HydrophobicContact CG2-CB 3.6Å; N219-T236 WeakPolarHBondContact O-CG2 3.08Å; N219-T236 PolarHBondContact O-OG1 2.82Å; N219-T236 VanDerWaalsContact O-OG1 3.13Å |
| 220 | A | 86.6 | Confident | 87.8 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -96.2 | 149.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 221 | T | 81.5 | Confident | 87.7 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 132.7 | 167.3 | -51.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 222 | P | 78.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 149.5 | 176.4 | -29.7 | 36.6 | 0 | 0 | 0 | 112.5 | E216 N217 C226 L228 T229 | E216-P222 WeakPolarHBondContact OE2-CA 3.24Å; E216-P222 WeakPolarHBondContact OE2-CB 3.45Å; E216-P222 WeakPolarHBondContact OE2-CG 3.39Å; N217-P222 HydrophobicContact CB-CG 3.92Å; P222-C226 HydrophobicContact CB-CB 3.61Å; P222-L228 HydrophobicContact CG-CD2 3.78Å; P222-T229 HydrophobicContact CB-CG2 3.82Å; P222-T229 WeakPolarHBondContact O-CG2 3.25Å |
| 223 | D | 79.9 | Confident | 87.4 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 167.1 | 175.1 | 101.4 | -29 | 0 | 0 | 0 | 111 | S225 C226 T229 | D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 VanDerWaalsContact O-N 3.13Å; D223-S225 WeakPolarHBondContact OD1-CA 3.42Å; D223-S225 WeakPolarHBondContact OD1-CB 3.3Å; D223-S225 PolarHBondContact OD1-N 2.91Å; D223-S225 PolarHBondContact OD1-OG 2.84Å; D223-S225 PolarHBondContact OD2-OG 2.82Å; D223-S225 VanDerWaalsContact OD2-OG 3.13Å; D223-C226 WeakPolarHBondContact O-CB 3.15Å; D223-C226 PolarHBondContact O-N 3.19Å; D223-C226 VanDerWaalsContact O-N 3.1Å; D223-C226 PolarHBondContact OD1-N 2.85Å; D223-T229 WeakPolarHBondContact O-CG2 3.23Å |
| 224 | S | 79 | Confident | 87.5 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 80% | 0.804 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.9 | 179.4 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 225 | S | 80.8 | Confident | 87.7 | Confident | 88 Ų | 88 | 58 Ų | 58 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -26.8 | 175.4 | 84.7 | 0 | 0 | 0 | 0 | 112.2 | D223 P227 | D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 VanDerWaalsContact O-N 3.13Å; D223-S225 WeakPolarHBondContact OD1-CA 3.42Å; D223-S225 WeakPolarHBondContact OD1-CB 3.3Å; D223-S225 PolarHBondContact OD1-N 2.91Å; D223-S225 PolarHBondContact OD1-OG 2.84Å; D223-S225 PolarHBondContact OD2-OG 2.82Å; D223-S225 VanDerWaalsContact OD2-OG 3.13Å; S225-P227 WeakPolarHBondContact O-CD 3.38Å |
| 226 | C | 82.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -67.6 | 122.8 | 178 | -174.3 | 0 | 0 | 0 | 0 | 111 | P222 D223 L228 T229 | P222-C226 HydrophobicContact CB-CB 3.61Å; D223-C226 WeakPolarHBondContact O-CB 3.15Å; D223-C226 PolarHBondContact O-N 3.19Å; D223-C226 VanDerWaalsContact O-N 3.1Å; D223-C226 PolarHBondContact OD1-N 2.85Å; C226-L228 PolarHBondContact O-N 3.27Å; C226-T229 PolarHBondContact O-N 2.87Å; C226-T229 VanDerWaalsContact O-N 3.13Å; C226-T229 PolarHBondContact O-OG1 2.6Å |
| 227 | P | 87.1 | Confident | 88 | Confident | 45 Ų | 45 | 55 Ų | 55 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -60.6 | -19.1 | -177.9 | -22.2 | 32 | 0 | 0 | 0 | 114.4 | W180 S225 T229 R230 | W180-P227 HydrophobicContact CB-CB 4.16Å; S225-P227 WeakPolarHBondContact O-CD 3.38Å; P227-T229 VanDerWaalsContact C-N 3.26Å; P227-T229 PolarHBondContact O-N 2.83Å; P227-R230 WeakPolarHBondContact O-CB 3.21Å; P227-R230 WeakPolarHBondContact O-CG 3.31Å; P227-R230 PolarHBondContact O-N 2.93Å |
| 228 | L | 88.8 | Confident | 88 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -57.9 | -37.7 | 175.7 | -178.5 | 57.5 | 0 | 0 | 0 | 112.7 | W180 P209 N217 P222 C226 R230 W231 Y232 | W180-L228 HydrophobicContact CD2-CB 4.03Å; W180-L228 HydrophobicContact CE3-CB 3.62Å; W180-L228 HydrophobicContact CE3-CD1 3.89Å; W180-L228 HydrophobicContact CE3-CD2 3.78Å; W180-L228 HydrophobicContact CE3-CG 3.94Å; W180-L228 HydrophobicContact CG-CB 4.43Å; W180-L228 HydrophobicContact CH2-CD2 4.35Å; W180-L228 HydrophobicContact CZ3-CB 4.15Å; W180-L228 HydrophobicContact CZ3-CD1 4.34Å; W180-L228 HydrophobicContact CZ3-CD2 3.47Å; W180-L228 VanDerWaalsContact CZ3-CD2 3.47Å; W180-L228 HydrophobicContact CZ3-CG 4.16Å; P209-L228 HydrophobicContact CB-CD1 3.99Å; P209-L228 HydrophobicContact CG-CD1 3.61Å; P209-L228 HydrophobicContact CG-CD2 4.26Å; N217-L228 HydrophobicContact CB-CD2 3.81Å; P222-L228 HydrophobicContact CG-CD2 3.78Å; C226-L228 PolarHBondContact O-N 3.27Å; L228-R230 PolarHBondContact O-N 2.99Å; L228-R230 VanDerWaalsContact O-N 3.07Å; L228-W231 HydrophobicContact CD1-CH2 3.82Å; L228-W231 HydrophobicContact CD1-CZ2 3.44Å; L228-W231 VanDerWaalsContact CD1-CZ2 3.44Å; L228-W231 PolarHBondContact O-N 3.09Å; L228-Y232 VanDerWaalsContact CD1-CB 3.42Å; L228-Y232 HydrophobicContact CD1-CD1 4.46Å; L228-Y232 HydrophobicContact CD1-CG 4.01Å; L228-Y232 HydrophobicContact CG-CG 4.48Å; L228-Y232 PolarHBondContact O-N 2.81Å |
| 229 | T | 85.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -63.9 | -14.6 | -178 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | P222 D223 C226 P227 W231 | P222-T229 HydrophobicContact CB-CG2 3.82Å; P222-T229 WeakPolarHBondContact O-CG2 3.25Å; D223-T229 WeakPolarHBondContact O-CG2 3.23Å; C226-T229 PolarHBondContact O-N 2.87Å; C226-T229 VanDerWaalsContact O-N 3.13Å; C226-T229 PolarHBondContact O-OG1 2.6Å; P227-T229 VanDerWaalsContact C-N 3.26Å; P227-T229 PolarHBondContact O-N 2.83Å; T229-W231 VanDerWaalsContact C-N 3.3Å; T229-W231 PolarHBondContact O-N 2.96Å |
| 230 | R | 89.6 | Confident | 88.2 | Confident | 207 Ų | 207 | 57 Ų | 57 | 78% | 0.781 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -70.3 | -24.9 | 179.3 | -63.2 | 178.9 | -178.6 | 168.3 | 1.9 | 113.5 | P227 L228 | P227-R230 WeakPolarHBondContact O-CB 3.21Å; P227-R230 WeakPolarHBondContact O-CG 3.31Å; P227-R230 PolarHBondContact O-N 2.93Å; L228-R230 PolarHBondContact O-N 2.99Å; L228-R230 VanDerWaalsContact O-N 3.07Å |
| 231 | W | 92.8 | Very high | 88.6 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 17% | 0.167 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | -22.1 | -170.5 | 62.4 | -96.8 | 0 | 0 | 0 | 114.5 | M175 W180 Q182 F185 P209 L228 T229 | M175-W231 HydrophobicContact CE-CH2 4.49Å; M175-W231 HydrophobicContact CE-CZ2 4.17Å; W180-W231 PolarHBondContact O-NE1 3.28Å; Q182-W231 HydrophobicContact CB-CB 4.4Å; Q182-W231 HydrophobicContact CB-CD2 3.63Å; Q182-W231 HydrophobicContact CB-CE3 4.1Å; Q182-W231 HydrophobicContact CB-CG 3.77Å; Q182-W231 HydrophobicContact CB-CZ2 4.37Å; Q182-W231 HydrophobicContact CG-CB 4.25Å; Q182-W231 HydrophobicContact CG-CD2 3.68Å; Q182-W231 HydrophobicContact CG-CE3 3.65Å; Q182-W231 HydrophobicContact CG-CG 3.96Å; Q182-W231 HydrophobicContact CG-CZ3 4.24Å; F185-W231 HydrophobicContact CB-CH2 3.66Å; F185-W231 HydrophobicContact CB-CZ2 4.32Å; F185-W231 HydrophobicContact CB-CZ3 4.33Å; F185-W231 AromaticContact CD1-CH2 3.66Å; F185-W231 HydrophobicContact CD1-CH2 3.66Å; F185-W231 AromaticContact CD1-CZ3 3.59Å; F185-W231 HydrophobicContact CD1-CZ3 3.59Å; F185-W231 HydrophobicContact CD2-CH2 4.21Å; F185-W231 HydrophobicContact CE1-CH2 4.33Å; F185-W231 HydrophobicContact CE1-CZ3 4.05Å; F185-W231 AromaticContact CG-CH2 3.58Å; F185-W231 HydrophobicContact CG-CH2 3.58Å; F185-W231 HydrophobicContact CG-CZ3 4.03Å; P209-W231 HydrophobicContact CB-CH2 4.21Å; P209-W231 HydrophobicContact CG-CH2 4.02Å; L228-W231 HydrophobicContact CD1-CH2 3.82Å; L228-W231 HydrophobicContact CD1-CZ2 3.44Å; L228-W231 VanDerWaalsContact CD1-CZ2 3.44Å; L228-W231 PolarHBondContact O-N 3.09Å; T229-W231 VanDerWaalsContact C-N 3.3Å; T229-W231 PolarHBondContact O-N 2.96Å |
| 232 | Y | 92.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 50 Ų | 50 | 13% | 0.125 | 27% | 0.274 | C | S | . | . | trans | -96.5 | 114.6 | -179.9 | -172.1 | -101.8 | 0 | 0 | 0 | 111.4 | F207 P209 N217 L228 G234 P235 | F207-Y232 PolarHBondContact O-OH 3.11Å; P209-Y232 HydrophobicContact CG-CD1 4.02Å; P209-Y232 HydrophobicContact CG-CD2 3.49Å; P209-Y232 VanDerWaalsContact CG-CD2 3.49Å; P209-Y232 HydrophobicContact CG-CE1 4.13Å; P209-Y232 HydrophobicContact CG-CE2 3.61Å; P209-Y232 HydrophobicContact CG-CG 3.7Å; N217-Y232 WeakPolarHBondContact ND2-CE1 3.3Å; L228-Y232 VanDerWaalsContact CD1-CB 3.42Å; L228-Y232 HydrophobicContact CD1-CD1 4.46Å; L228-Y232 HydrophobicContact CD1-CG 4.01Å; L228-Y232 HydrophobicContact CG-CG 4.48Å; L228-Y232 PolarHBondContact O-N 2.81Å; Y232-G234 VanDerWaalsContact CE1-C 3.42Å; Y232-G234 VanDerWaalsContact CE1-CA 3.47Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.43Å; Y232-P235 PolarHBondContact OH-O 3.03Å; Y232-P235 VanDerWaalsContact OH-O 3.09Å | ||
| 233 | N | 89.1 | Confident | 89.7 | Confident | 158 Ų | 158 | 52.6 Ų | 52.6 | 85% | 0.845 | 29% | 0.293 | S | S | * | . | trans | -112.8 | 22.7 | 175.9 | -62 | -36.9 | 0 | 0 | 0 | 112 | ||||
| 234 | G | 91 | Very high | 90.1 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -89.7 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y232 | Y232-G234 VanDerWaalsContact CE1-C 3.42Å; Y232-G234 VanDerWaalsContact CE1-CA 3.47Å; Y232-G234 WeakPolarHBondContact CE1-O 3.41Å; Y232-G234 VanDerWaalsContact CZ-CA 3.43Å |
| 235 | P | 93.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | trans | -69.3 | 157.4 | 178.7 | 30.2 | -35.8 | 0 | 0 | 0 | 112.4 | Y232 Q239 A240 | Y232-P235 PolarHBondContact OH-O 3.03Å; Y232-P235 VanDerWaalsContact OH-O 3.09Å; P235-Q239 HydrophobicContact CB-CB 3.68Å; P235-A240 HydrophobicContact CB-CB 4.34Å; P235-A240 HydrophobicContact CG-CB 4Å | ||
| 236 | T | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -68 | 167.4 | 163.9 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | N217 N219 I238 Q239 A240 | N217-T236 WeakPolarHBondContact OD1-CA 3.31Å; N219-T236 WeakPolarHBondContact O-CG2 3.08Å; N219-T236 PolarHBondContact O-OG1 2.82Å; N219-T236 VanDerWaalsContact O-OG1 3.13Å; T236-I238 VanDerWaalsContact C-N 3.28Å; T236-I238 PolarHBondContact O-N 3.43Å; T236-Q239 PolarHBondContact O-N 2.82Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.18Å; T236-Q239 PolarHBondContact OG1-N 3.41Å; T236-A240 WeakPolarHBondContact O-CB 3.14Å; T236-A240 PolarHBondContact O-N 2.83Å | ||
| 237 | L | 95.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 178.4 | -176.2 | 62.7 | 0 | 0 | 0 | 111.8 | L43 M44 L133 L169 A171 V208 N217 L218 A240 L241 | L43-L237 HydrophobicContact CD1-CD2 4.35Å; L43-L237 HydrophobicContact CD2-CD2 4.21Å; L43-L237 HydrophobicContact CG-CD2 4.32Å; M44-L237 HydrophobicContact CE-CD2 4.12Å; L133-L237 HydrophobicContact CD1-CD1 3.93Å; L133-L237 HydrophobicContact CD2-CD1 4.45Å; L169-L237 HydrophobicContact CD2-CD1 3.77Å; L169-L237 HydrophobicContact CG-CD1 4.45Å; A171-L237 HydrophobicContact CB-CD1 4.23Å; V208-L237 HydrophobicContact CG1-CB 4.33Å; N217-L237 PolarHBondContact O-N 3.5Å; L218-L237 HydrophobicContact CD2-CD2 4.03Å; L218-L237 PolarHBondContact O-N 2.58Å; L237-A240 PolarHBondContact O-N 3.09Å; L237-L241 HydrophobicContact CG-CD1 4.4Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 2.76Å |
| 238 | I | 94.8 | Very high | 88.6 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.8 | -76 | -71.2 | 0 | 0 | 0 | 112.1 | L47 L51 F100 T102 L218 T236 A240 L241 D242 | L47-I238 HydrophobicContact CD1-CD1 3.79Å; L47-I238 HydrophobicContact CD1-CG1 3.58Å; L47-I238 HydrophobicContact CD2-CD1 4.01Å; L47-I238 HydrophobicContact CG-CD1 4.24Å; L51-I238 HydrophobicContact CD1-CD1 3.95Å; L51-I238 HydrophobicContact CD2-CD1 4.31Å; L51-I238 HydrophobicContact CD2-CG1 4.47Å; F100-I238 HydrophobicContact CD2-CD1 4.35Å; F100-I238 HydrophobicContact CE2-CD1 4.03Å; T102-I238 HydrophobicContact CG2-CD1 4.1Å; T102-I238 HydrophobicContact CG2-CG2 4.09Å; L218-I238 PolarHBondContact O-N 3.29Å; T236-I238 VanDerWaalsContact C-N 3.28Å; T236-I238 PolarHBondContact O-N 3.43Å; I238-A240 VanDerWaalsContact C-N 3.25Å; I238-A240 PolarHBondContact O-N 3.07Å; I238-L241 HydrophobicContact CD1-CD1 4.48Å; I238-L241 PolarHBondContact O-N 3.44Å; I238-D242 VanDerWaalsContact O-CB 3.27Å; I238-D242 WeakPolarHBondContact O-CB 3.44Å; I238-D242 PolarHBondContact O-N 2.81Å |
| 239 | Q | 94.1 | Very high | 87.5 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 176.5 | -72.7 | 171.2 | -13.7 | 0 | 0 | 111.7 | P235 T236 D242 S243 | P235-Q239 HydrophobicContact CB-CB 3.68Å; T236-Q239 PolarHBondContact O-N 2.82Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.18Å; T236-Q239 PolarHBondContact OG1-N 3.41Å; Q239-D242 PolarHBondContact O-N 3.06Å; Q239-S243 WeakPolarHBondContact O-CB 3.39Å; Q239-S243 PolarHBondContact O-N 2.74Å |
| 240 | A | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L169 L206 V208 P235 T236 L237 I238 S243 | L169-A240 HydrophobicContact CD1-CB 3.74Å; L169-A240 HydrophobicContact CD2-CB 3.83Å; L169-A240 HydrophobicContact CG-CB 4.47Å; L206-A240 HydrophobicContact CD1-CB 4.29Å; V208-A240 HydrophobicContact CG2-CB 3.74Å; P235-A240 HydrophobicContact CB-CB 4.34Å; P235-A240 HydrophobicContact CG-CB 4Å; T236-A240 WeakPolarHBondContact O-CB 3.14Å; T236-A240 PolarHBondContact O-N 2.83Å; L237-A240 PolarHBondContact O-N 3.09Å; I238-A240 VanDerWaalsContact C-N 3.25Å; I238-A240 PolarHBondContact O-N 3.07Å; A240-S243 PolarHBondContact O-N 2.9Å; A240-S243 PolarHBondContact O-OG 2.96Å |
| 241 | L | 93.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 172.9 | -74.1 | 169.6 | 0 | 0 | 0 | 111.8 | L30 F100 F107 L169 L237 I238 S243 M244 | L30-L241 HydrophobicContact CD1-CD2 4.01Å; L30-L241 HydrophobicContact CD2-CD1 4.22Å; L30-L241 HydrophobicContact CD2-CD2 3.77Å; F100-L241 HydrophobicContact CE2-CD1 4.38Å; F100-L241 HydrophobicContact CZ-CD1 4.1Å; F107-L241 HydrophobicContact CE2-CB 4.3Å; F107-L241 HydrophobicContact CZ-CB 4.21Å; F107-L241 WeakPolarHBondContact CZ-O 3.09Å; L169-L241 HydrophobicContact CD2-CD2 3.65Å; L169-L241 HydrophobicContact CD2-CG 3.71Å; L237-L241 HydrophobicContact CG-CD1 4.4Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 2.76Å; I238-L241 HydrophobicContact CD1-CD1 4.48Å; I238-L241 PolarHBondContact O-N 3.44Å; L241-S243 VanDerWaalsContact C-N 3.25Å; L241-S243 PolarHBondContact O-N 3.28Å; L241-M244 VanDerWaalsContact O-CB 3.32Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 WeakPolarHBondContact O-CG 3.33Å; L241-M244 PolarHBondContact O-N 2.91Å |
| 242 | D | 92.7 | Very high | 83.8 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.4 | -21.8 | 179.6 | -164.7 | 56.7 | 0 | 0 | 0 | 112.7 | T102 E103 H104 F105 I238 Q239 M244 | T102-D242 WeakPolarHBondContact CB-OD1 3.42Å; T102-D242 HydrophobicContact CG2-CB 4.32Å; T102-D242 PolarHBondContact OG1-OD1 2.92Å; E103-D242 PolarHBondContact N-OD1 2.79Å; H104-D242 WeakPolarHBondContact CB-OD1 3.47Å; H104-D242 IonicContact CE1-OD2 3.53Å; H104-D242 IonicContact CG-OD1 3.84Å; H104-D242 IonicContact CG-OD2 3.76Å; H104-D242 PolarHBondContact N-OD1 2.78Å; H104-D242 IonicContact ND1-OD1 3.5Å; H104-D242 IonicContact ND1-OD2 2.69Å; H104-D242 PolarHBondContact ND1-OD2 3.32Å; F105-D242 WeakPolarHBondContact CE2-O 3.17Å; I238-D242 VanDerWaalsContact O-CB 3.27Å; I238-D242 WeakPolarHBondContact O-CB 3.44Å; I238-D242 PolarHBondContact O-N 2.81Å; Q239-D242 PolarHBondContact O-N 3.06Å; D242-M244 PolarHBondContact O-N 3.4Å |
| 243 | S | 91.4 | Very high | 83.2 | Confident | 70 Ų | 70 | 59 Ų | 59 | 49% | 0.49 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 0.9 | 174.2 | 76.1 | 0 | 0 | 0 | 0 | 114.8 | Q239 A240 L241 | Q239-S243 WeakPolarHBondContact O-CB 3.39Å; Q239-S243 PolarHBondContact O-N 2.74Å; A240-S243 PolarHBondContact O-N 2.9Å; A240-S243 PolarHBondContact O-OG 2.96Å; L241-S243 VanDerWaalsContact C-N 3.25Å; L241-S243 PolarHBondContact O-N 3.28Å |
| 244 | M | 88.3 | Confident | 83.1 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.1 | -179.5 | -68.9 | -67.9 | 164 | 0 | 0 | 111.9 | F105 V131 Q167 L169 L241 D242 | F105-M244 WeakPolarHBondContact CZ-O 3.25Å; V131-M244 HydrophobicContact CG1-CE 4.25Å; V131-M244 HydrophobicContact CG1-CG 4.15Å; V131-M244 HydrophobicContact CG1-SD 3.95Å; Q167-M244 HydrophobicContact CB-SD 4.14Å; L169-M244 HydrophobicContact CB-CE 3.59Å; L169-M244 HydrophobicContact CD1-CE 4.21Å; L169-M244 HydrophobicContact CD2-CE 4.05Å; L169-M244 HydrophobicContact CG-CE 4.17Å; L241-M244 VanDerWaalsContact O-CB 3.32Å; L241-M244 WeakPolarHBondContact O-CB 3.38Å; L241-M244 WeakPolarHBondContact O-CG 3.33Å; L241-M244 PolarHBondContact O-N 2.91Å; D242-M244 PolarHBondContact O-N 3.4Å |
| 245 | E | 83.8 | Confident | 83.2 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 134.1 | 179.2 | -65.3 | 178.7 | -178.3 | 0 | 0 | 109.4 | Q167 K204 I247 | Q167-E245 PolarHBondContact NE2-O 3.31Å; K204-E245 IonicContact NZ-OE1 2.85Å; K204-E245 PolarHBondContact NZ-OE1 2.69Å; E245-I247 PolarHBondContact O-N 3.22Å |
| 246 | R | 76.2 | Confident | 83.1 | Confident | 153 Ų | 153 | 50.8 Ų | 50.8 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 134.2 | 172.7 | -69.2 | -176.7 | 179 | 172.5 | 0.3 | 109.7 | F105 | F105-R246 HydrophobicContact CE1-CG 3.69Å; F105-R246 HydrophobicContact CZ-CG 3.52Å |
| 247 | I | 71.7 | Confident | 83 | Confident | 53 Ų | 53 | 50.8 Ų | 50.8 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | trans | -90.1 | 113 | 177.5 | -62.8 | 170.8 | 0 | 0 | 0 | 108.4 | L28 E130 E245 R249 | L28-I247 HydrophobicContact CD2-CD1 4.13Å; L28-I247 HydrophobicContact CD2-CG1 4.44Å; E130-I247 HydrophobicContact CB-CD1 3.44Å; E130-I247 VanDerWaalsContact CB-CD1 3.44Å; E130-I247 HydrophobicContact CG-CD1 3.78Å; E245-I247 PolarHBondContact O-N 3.22Å; I247-R249 PolarHBondContact O-N 2.86Å | ||
| 248 | S | 65.3 | Low | 82.7 | Confident | 91 Ų | 91 | 51 Ų | 51 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | trans | -67.7 | 120.3 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 249 | R | 65.9 | Low | 82.5 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | trans | -94.8 | 113.7 | -179.6 | -55.9 | -171.3 | 172.3 | -179.3 | 6.5 | 108.6 | N17 T19 I27 E130 I247 A251 T315 | N17-R249 WeakPolarHBondContact CB-O 3.11Å; N17-R249 WeakPolarHBondContact O-CB 3.36Å; T19-R249 VanDerWaalsContact CB-NH1 3.33Å; T19-R249 PolarHBondContact OG1-NH1 3.29Å; T19-R249 PolarHBondContact OG1-NH2 3.5Å; I27-R249 PolarHBondContact O-NH2 2.84Å; E130-R249 IonicContact OE1-CZ 3.65Å; E130-R249 IonicContact OE1-NE 2.69Å; E130-R249 PolarHBondContact OE1-NE 2.83Å; E130-R249 IonicContact OE1-NH2 3.92Å; E130-R249 PolarHBondContact OE1-NH2 2.81Å; E130-R249 IonicContact OE2-NH2 3.99Å; E130-R249 PolarHBondContact OE2-NH2 3.05Å; I247-R249 PolarHBondContact O-N 2.86Å; R249-A251 PolarHBondContact O-N 3.33Å; R249-A251 VanDerWaalsContact O-N 3.17Å; R249-T315 HydrophobicContact CB-CG2 4.16Å; R249-T315 WeakPolarHBondContact CD-O 3.31Å; R249-T315 HydrophobicContact CG-CG2 4.46Å; R249-T315 PolarHBondContact NH1-O 2.84Å | ||
| 250 | S | 57.8 | Low | 82 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | trans | -77.4 | 105.6 | 178.4 | 65 | 0 | 0 | 0 | 0 | 110.2 | K252 | S250-K252 PolarHBondContact O-N 3.39Å; S250-K252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | A | 60.5 | Low | 81.6 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -1.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R249 N253 | R249-A251 PolarHBondContact O-N 3.33Å; R249-A251 VanDerWaalsContact O-N 3.17Å; A251-N253 VanDerWaalsContact C-N 3.34Å; A251-N253 PolarHBondContact O-N 3.06Å |
| 252 | K | 72.1 | Confident | 81.4 | Confident | 198 Ų | 198 | 52.7 Ų | 52.7 | 86% | 0.861 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.4 | -169.4 | -69.2 | -173.3 | 178.2 | -179.1 | 0 | 114.6 | S250 | S250-K252 PolarHBondContact O-N 3.39Å; S250-K252 VanDerWaalsContact O-N 3.16Å |
| 253 | N | 80.8 | Confident | 81.2 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -91.6 | 152.6 | -175.8 | -61.8 | -20.3 | 0 | 0 | 0 | 111.4 | A251 I279 M419 | A251-N253 VanDerWaalsContact C-N 3.34Å; A251-N253 PolarHBondContact O-N 3.06Å; N253-I279 HydrophobicContact CB-CD1 4.35Å; N253-I279 HydrophobicContact CB-CG2 3.7Å; N253-M419 PolarHBondContact ND2-O 3.28Å |
| 254 | P | 87.5 | Confident | 81 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -57 | 151.2 | 179.7 | -24.1 | 33.9 | 0 | 0 | 0 | 112.7 | R256 S342 | P254-R256 PolarHBondContact O-N 3.01Å; P254-S342 WeakPolarHBondContact CB-OG 3.42Å; P254-S342 VanDerWaalsContact CG-OG 3.28Å; P254-S342 WeakPolarHBondContact CG-OG 3.21Å |
| 255 | L | 92.3 | Very high | 80.8 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 132.1 | 178 | 169.7 | 69.1 | 0 | 0 | 0 | 111.5 | F257 V277 I279 V282 L288 P339 | L255-F257 HydrophobicContact CD1-CB 4.48Å; L255-V277 HydrophobicContact CD1-CG1 3.7Å; L255-I279 CarbonylContact C-O 3.59Å; L255-I279 VanDerWaalsContact CA-O 3.23Å; L255-I279 WeakPolarHBondContact CA-O 3.17Å; L255-I279 WeakPolarHBondContact CD1-O 3.41Å; L255-V282 HydrophobicContact CD1-CB 4.14Å; L255-V282 HydrophobicContact CD2-CB 3.86Å; L255-V282 HydrophobicContact CD2-CG2 4.21Å; L255-L288 HydrophobicContact CD2-CD1 4.49Å; L255-L288 HydrophobicContact CD2-CD2 3.64Å; L255-P339 HydrophobicContact CB-CG 3.83Å; L255-P339 WeakPolarHBondContact O-CD 3.31Å |
| 256 | R | 91.8 | Very high | 80.4 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 114.6 | 169.1 | -61.4 | -65.3 | 179.2 | -104.8 | 5.6 | 107.6 | P254 V278 I279 S342 E415 L423 | P254-R256 PolarHBondContact O-N 3.01Å; R256-V278 HydrophobicContact CB-CB 4.26Å; R256-V278 PolarHBondContact O-N 3.43Å; R256-I279 PolarHBondContact N-O 3.19Å; R256-I279 PolarHBondContact O-N 2.92Å; R256-S342 PolarHBondContact NH1-O 3.07Å; R256-E415 IonicContact CZ-OE1 3.08Å; R256-E415 IonicContact NE-OE1 2.82Å; R256-E415 PolarHBondContact NE-OE1 3.12Å; R256-E415 IonicContact NH2-OE1 3.5Å; R256-E415 PolarHBondContact NH2-OE1 3.28Å; R256-L423 HydrophobicContact CB-CD1 3.97Å; R256-L423 HydrophobicContact CG-CD1 3.87Å |
| 257 | F | 92.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.4 | 176.1 | 178.1 | -77 | 0 | 0 | 0 | 108.9 | L255 V273 K276 V277 I321 I336 L337 | L255-F257 HydrophobicContact CD1-CB 4.48Å; F257-V273 HydrophobicContact CE1-CG1 4.17Å; F257-K276 WeakPolarHBondContact CA-O 3.24Å; F257-V277 HydrophobicContact CD2-CG2 3.89Å; F257-V277 HydrophobicContact CE2-CG2 4.36Å; F257-I321 HydrophobicContact CD1-CD1 4.37Å; F257-I321 HydrophobicContact CE1-CD1 4.13Å; F257-I321 HydrophobicContact CE1-CG1 4.37Å; F257-I321 HydrophobicContact CE2-CG2 4.22Å; F257-I321 HydrophobicContact CZ-CD1 4.25Å; F257-I321 HydrophobicContact CZ-CG1 4.21Å; F257-I321 HydrophobicContact CZ-CG2 4.3Å; F257-I336 WeakPolarHBondContact O-CA 3.46Å; F257-L337 HydrophobicContact CB-CB 4.08Å; F257-L337 HydrophobicContact CD1-CB 4.29Å; F257-L337 HydrophobicContact CD1-CD1 3.69Å; F257-L337 HydrophobicContact CD1-CG 4.39Å; F257-L337 HydrophobicContact CE1-CD1 4.12Å; F257-L337 HydrophobicContact CG-CD1 4.49Å; F257-L337 PolarHBondContact N-O 3.47Å; F257-L337 PolarHBondContact O-N 3.15Å |
| 258 | T | 90.3 | Very high | 79.7 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.1 | -178.5 | 51.6 | 0 | 0 | 0 | 0 | 110 | G275 K276 V278 I336 F374 L423 | T258-G275 WeakPolarHBondContact O-CA 2.89Å; T258-K276 PolarHBondContact N-O 3.46Å; T258-K276 PolarHBondContact O-N 3.16Å; T258-K276 VanDerWaalsContact O-N 3.16Å; T258-K276 PolarHBondContact OG1-O 2.91Å; T258-V278 HydrophobicContact CG2-CG2 3.43Å; T258-V278 VanDerWaalsContact CG2-CG2 3.43Å; T258-I336 HydrophobicContact CG2-CD1 4.26Å; T258-I336 HydrophobicContact CG2-CG1 4.25Å; T258-F374 HydrophobicContact CG2-CD1 3.85Å; T258-F374 HydrophobicContact CG2-CE1 3.94Å; T258-L423 HydrophobicContact CG2-CD2 4.01Å |
| 259 | V | 89.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.7 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | V262 V273 D274 I331 G334 D335 L337 | V259-V262 HydrophobicContact CG1-CG2 3.94Å; V259-V273 HydrophobicContact CB-CG1 4.03Å; V259-V273 HydrophobicContact CG1-CG1 3.52Å; V259-V273 HydrophobicContact CG2-CG1 3.52Å; V259-D274 CarbonylContact C-O 3.57Å; V259-D274 WeakPolarHBondContact CA-O 3.48Å; V259-I331 HydrophobicContact CB-CG2 4.46Å; V259-I331 HydrophobicContact CG1-CG2 3.96Å; V259-I331 HydrophobicContact CG2-CG2 4Å; V259-G334 PolarHBondContact O-N 3.01Å; V259-D335 HydrophobicContact CG2-CB 4.29Å; V259-D335 WeakPolarHBondContact CG2-O 3.42Å; V259-D335 PolarHBondContact N-O 3.06Å; V259-L337 HydrophobicContact CG2-CD1 4.25Å; V259-L337 HydrophobicContact CG2-CG 4.22Å |
| 260 | S | 84.6 | Confident | 80.9 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -47.6 | 172.3 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | D274 G275 A333 Y375 | S260-D274 PolarHBondContact N-O 3.46Å; S260-D274 WeakPolarHBondContact OG-CB 3.46Å; S260-D274 PolarHBondContact OG-O 2.71Å; S260-D274 VanDerWaalsContact OG-O 3.04Å; S260-G275 WeakPolarHBondContact OG-CA 3.22Å; S260-G275 PolarHBondContact OG-N 2.92Å; S260-A333 VanDerWaalsContact O-CB 3.26Å; S260-A333 WeakPolarHBondContact O-CB 3.35Å; S260-Y375 WeakPolarHBondContact CA-OH 3.49Å; S260-Y375 WeakPolarHBondContact CB-OH 3.41Å |
| 261 | N | 85.7 | Confident | 82.5 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 162.1 | -177 | -162 | 9.2 | 0 | 0 | 0 | 110.3 | D274 | N261-D274 HydrophobicContact CB-CB 4.13Å; N261-D274 PolarHBondContact O-N 2.94Å |
| 262 | V | 89.5 | Confident | 84 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 15% | 0.145 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 122.1 | 176 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | V259 F271 Y272 V273 M328 I331 | V259-V262 HydrophobicContact CG1-CG2 3.94Å; V262-F271 HydrophobicContact CG1-CB 4.48Å; V262-F271 HydrophobicContact CG1-CD2 3.61Å; V262-F271 HydrophobicContact CG1-CE2 4.24Å; V262-F271 HydrophobicContact CG1-CG 4.3Å; V262-Y272 WeakPolarHBondContact CA-O 3.23Å; V262-V273 HydrophobicContact CG1-CG2 4.45Å; V262-V273 HydrophobicContact CG2-CG1 4.45Å; V262-V273 HydrophobicContact CG2-CG2 4.44Å; V262-M328 HydrophobicContact CG1-CE 4.07Å; V262-M328 HydrophobicContact CG1-CG 3.74Å; V262-I331 HydrophobicContact CG2-CB 4.1Å; V262-I331 HydrophobicContact CG2-CG2 3.75Å |
| 263 | F | 88.1 | Confident | 85 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150 | -180 | 65.9 | -96.3 | 0 | 0 | 0 | 112 | F271 Y272 D274 | F263-F271 CarbonylContact O-C 3.47Å; F263-F271 VanDerWaalsContact O-CA 3.24Å; F263-F271 WeakPolarHBondContact O-CA 3.23Å; F263-F271 VanDerWaalsContact O-CB 3.29Å; F263-F271 WeakPolarHBondContact O-CB 3.48Å; F263-Y272 HydrophobicContact CD2-CD2 4.2Å; F263-Y272 AromaticContact CE2-CD2 3.47Å; F263-Y272 HydrophobicContact CE2-CD2 3.47Å; F263-Y272 VanDerWaalsContact CE2-CD2 3.47Å; F263-Y272 HydrophobicContact CE2-CE2 4.44Å; F263-Y272 AromaticContact CE2-CG 3.76Å; F263-Y272 HydrophobicContact CE2-CG 3.76Å; F263-Y272 AromaticContact CZ-CD2 3.96Å; F263-Y272 HydrophobicContact CZ-CD2 3.96Å; F263-Y272 AromaticContact CZ-CG 3.76Å; F263-Y272 HydrophobicContact CZ-CG 3.76Å; F263-Y272 PolarHBondContact N-O 3.11Å; F263-Y272 PolarHBondContact O-N 3.06Å; F263-D274 WeakPolarHBondContact CD1-OD2 3.45Å; F263-D274 VanDerWaalsContact CE1-OD1 3.25Å; F263-D274 WeakPolarHBondContact CE1-OD1 3.46Å; F263-D274 VanDerWaalsContact CE1-OD2 3.25Å; F263-D274 WeakPolarHBondContact CE1-OD2 3.46Å |
| 264 | K | 87.4 | Confident | 85.4 | Confident | 141 Ų | 141 | 56 Ų | 56 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.2 | -178.4 | -167.1 | 178.9 | 178.8 | -178.8 | 0 | 110.1 | G268 M328 | K264-G268 WeakPolarHBondContact CE-O 3.38Å; K264-M328 HydrophobicContact CB-CE 4.45Å; K264-M328 HydrophobicContact CB-SD 4.44Å |
| 265 | A | 82.7 | Confident | 85.5 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | trans | -67.8 | 147.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R267 N270 Y272 | A265-R267 PolarHBondContact O-N 3.11Å; A265-R267 VanDerWaalsContact O-N 3.09Å; A265-N270 HydrophobicContact CB-CB 4.09Å; A265-N270 WeakPolarHBondContact CB-O 3.12Å; A265-N270 PolarHBondContact N-O 3.46Å; A265-Y272 HydrophobicContact CB-CD2 3.88Å; A265-Y272 HydrophobicContact CB-CE2 3.59Å | ||
| 266 | Q | 75.3 | Confident | 85.3 | Confident | 203 Ų | 203 | 54.6 Ų | 54.6 | 95% | 0.949 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -60.1 | -23.7 | -178.9 | -67.6 | -171.7 | -9.8 | 0 | 0 | 113.5 | ||
| 267 | R | 67.2 | Low | 85.2 | Confident | 220 Ų | 220 | 54.2 Ų | 54.2 | 83% | 0.83 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -120.2 | 121.7 | 179.9 | -67.4 | -176.3 | -179.6 | 177.5 | 1.4 | 111.7 | A265 | A265-R267 PolarHBondContact O-N 3.11Å; A265-R267 VanDerWaalsContact O-N 3.09Å |
| 268 | G | 67.6 | Low | 84.8 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -159.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K264 N270 | K264-G268 WeakPolarHBondContact CE-O 3.38Å; G268-N270 VanDerWaalsContact C-N 3.29Å |
| 269 | S | 73.5 | Confident | 84.7 | Confident | 109 Ų | 109 | 54.8 Ų | 54.8 | 76% | 0.762 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9.2 | 175.8 | 58.3 | 0 | 0 | 0 | 0 | 113 | ||
| 270 | N | 82.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | trans | -78.7 | 152.5 | -178.6 | -64.7 | -25.1 | 0 | 0 | 0 | 110.5 | A265 G268 L322 | A265-N270 HydrophobicContact CB-CB 4.09Å; A265-N270 WeakPolarHBondContact CB-O 3.12Å; A265-N270 PolarHBondContact N-O 3.46Å; G268-N270 VanDerWaalsContact C-N 3.29Å; N270-L322 HydrophobicContact CB-CD1 3.69Å | ||
| 271 | F | 90.7 | Very high | 84.9 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.6 | 176.5 | 62.8 | -90 | 0 | 0 | 0 | 109.5 | V262 F263 V273 L322 L323 V326 M328 I331 | V262-F271 HydrophobicContact CG1-CB 4.48Å; V262-F271 HydrophobicContact CG1-CD2 3.61Å; V262-F271 HydrophobicContact CG1-CE2 4.24Å; V262-F271 HydrophobicContact CG1-CG 4.3Å; F263-F271 CarbonylContact O-C 3.47Å; F263-F271 VanDerWaalsContact O-CA 3.24Å; F263-F271 WeakPolarHBondContact O-CA 3.23Å; F263-F271 VanDerWaalsContact O-CB 3.29Å; F263-F271 WeakPolarHBondContact O-CB 3.48Å; F271-V273 HydrophobicContact CD2-CG2 3.84Å; F271-V273 HydrophobicContact CE2-CG2 3.57Å; F271-L322 WeakPolarHBondContact O-CD1 3.38Å; F271-L323 HydrophobicContact CE2-CB 4.17Å; F271-L323 HydrophobicContact CZ-CB 4.22Å; F271-V326 WeakPolarHBondContact CE1-O 3.23Å; F271-V326 HydrophobicContact CZ-CB 4.25Å; F271-V326 HydrophobicContact CZ-CG1 4.42Å; F271-M328 HydrophobicContact CB-CG 4.12Å; F271-M328 HydrophobicContact CB-SD 4.09Å; F271-M328 HydrophobicContact CD1-CB 3.75Å; F271-M328 HydrophobicContact CD1-CG 4.24Å; F271-M328 HydrophobicContact CD2-CG 4.4Å; F271-M328 HydrophobicContact CE1-CB 4.08Å; F271-M328 HydrophobicContact CG-CB 4.02Å; F271-M328 HydrophobicContact CG-CG 3.98Å; F271-I331 HydrophobicContact CE2-CD1 3.65Å; F271-I331 HydrophobicContact CZ-CD1 3.94Å |
| 272 | Y | 91.8 | Very high | 85.3 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.9 | 172.5 | -71 | -87.9 | 0 | 0 | 0 | 109.5 | V262 F263 A265 L303 I321 L322 | V262-Y272 WeakPolarHBondContact CA-O 3.23Å; F263-Y272 HydrophobicContact CD2-CD2 4.2Å; F263-Y272 AromaticContact CE2-CD2 3.47Å; F263-Y272 HydrophobicContact CE2-CD2 3.47Å; F263-Y272 VanDerWaalsContact CE2-CD2 3.47Å; F263-Y272 HydrophobicContact CE2-CE2 4.44Å; F263-Y272 AromaticContact CE2-CG 3.76Å; F263-Y272 HydrophobicContact CE2-CG 3.76Å; F263-Y272 AromaticContact CZ-CD2 3.96Å; F263-Y272 HydrophobicContact CZ-CD2 3.96Å; F263-Y272 AromaticContact CZ-CG 3.76Å; F263-Y272 HydrophobicContact CZ-CG 3.76Å; F263-Y272 PolarHBondContact N-O 3.11Å; F263-Y272 PolarHBondContact O-N 3.06Å; A265-Y272 HydrophobicContact CB-CD2 3.88Å; A265-Y272 HydrophobicContact CB-CE2 3.59Å; Y272-L303 HydrophobicContact CD1-CD1 4.02Å; Y272-L303 HydrophobicContact CE1-CD1 3.37Å; Y272-L303 HydrophobicContact CE1-CG 4.04Å; Y272-I321 CarbonylContact C-O 3.58Å; Y272-I321 WeakPolarHBondContact CA-O 3.37Å; Y272-L322 HydrophobicContact CD1-CB 4.12Å; Y272-L322 HydrophobicContact CD1-CD1 4.21Å; Y272-L322 HydrophobicContact CD2-CD1 4.16Å; Y272-L322 HydrophobicContact CE1-CB 3.83Å; Y272-L322 HydrophobicContact CE1-CD1 4.01Å; Y272-L322 HydrophobicContact CE1-CG 4.45Å; Y272-L322 HydrophobicContact CE2-CD1 3.95Å; Y272-L322 HydrophobicContact CG-CD1 4.28Å |
| 273 | V | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 107 | F257 V259 V262 F271 S320 I321 L323 I331 L337 | F257-V273 HydrophobicContact CE1-CG1 4.17Å; V259-V273 HydrophobicContact CB-CG1 4.03Å; V259-V273 HydrophobicContact CG1-CG1 3.52Å; V259-V273 HydrophobicContact CG2-CG1 3.52Å; V262-V273 HydrophobicContact CG1-CG2 4.45Å; V262-V273 HydrophobicContact CG2-CG1 4.45Å; V262-V273 HydrophobicContact CG2-CG2 4.44Å; F271-V273 HydrophobicContact CD2-CG2 3.84Å; F271-V273 HydrophobicContact CE2-CG2 3.57Å; V273-S320 WeakPolarHBondContact O-CA 3.39Å; V273-I321 HydrophobicContact CB-CG1 3.93Å; V273-I321 PolarHBondContact N-O 3.4Å; V273-I321 WeakPolarHBondContact O-CG1 3.49Å; V273-I321 PolarHBondContact O-N 3.38Å; V273-L323 HydrophobicContact CB-CD1 4.49Å; V273-L323 HydrophobicContact CG2-CD1 3.79Å; V273-L323 HydrophobicContact CG2-CG 4.29Å; V273-I331 HydrophobicContact CG1-CG2 4.47Å; V273-I331 HydrophobicContact CG2-CD1 3.92Å; V273-L337 HydrophobicContact CG1-CD1 4.28Å |
| 274 | D | 90.5 | Very high | 85.9 | Confident | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 148.5 | 172.1 | -68.4 | -27.6 | 0 | 0 | 0 | 109.7 | V259 S260 N261 F263 S320 | V259-D274 CarbonylContact C-O 3.57Å; V259-D274 WeakPolarHBondContact CA-O 3.48Å; S260-D274 PolarHBondContact N-O 3.46Å; S260-D274 WeakPolarHBondContact OG-CB 3.46Å; S260-D274 PolarHBondContact OG-O 2.71Å; S260-D274 VanDerWaalsContact OG-O 3.04Å; N261-D274 HydrophobicContact CB-CB 4.13Å; N261-D274 PolarHBondContact O-N 2.94Å; F263-D274 WeakPolarHBondContact CD1-OD2 3.45Å; F263-D274 VanDerWaalsContact CE1-OD1 3.25Å; F263-D274 WeakPolarHBondContact CE1-OD1 3.46Å; F263-D274 VanDerWaalsContact CE1-OD2 3.25Å; F263-D274 WeakPolarHBondContact CE1-OD2 3.46Å; D274-S320 WeakPolarHBondContact OD1-CB 3.44Å; D274-S320 PolarHBondContact OD1-OG 3.19Å |
| 275 | G | 88.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -169.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T258 S260 Q318 C319 | T258-G275 WeakPolarHBondContact O-CA 2.89Å; S260-G275 WeakPolarHBondContact OG-CA 3.22Å; S260-G275 PolarHBondContact OG-N 2.92Å; G275-Q318 VanDerWaalsContact O-CA 3.28Å; G275-Q318 WeakPolarHBondContact O-CA 3.48Å; G275-C319 PolarHBondContact N-O 2.81Å; G275-C319 VanDerWaalsContact N-O 3.09Å; G275-C319 PolarHBondContact O-N 3.36Å |
| 276 | K | 87.2 | Confident | 86.8 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.2 | 177.8 | -174.8 | 179.8 | 179.3 | -178 | 0 | 109.1 | N29 Q128 F257 T258 V278 G316 E317 Q318 | N29-K276 PolarHBondContact ND2-NZ 2.89Å; Q128-K276 PolarHBondContact O-NZ 3.37Å; F257-K276 WeakPolarHBondContact CA-O 3.24Å; T258-K276 PolarHBondContact N-O 3.46Å; T258-K276 PolarHBondContact O-N 3.16Å; T258-K276 VanDerWaalsContact O-N 3.16Å; T258-K276 PolarHBondContact OG1-O 2.91Å; K276-V278 PolarHBondContact O-N 2.99Å; K276-V278 VanDerWaalsContact O-N 3.14Å; K276-G316 WeakPolarHBondContact CE-O 3.24Å; K276-E317 WeakPolarHBondContact CA-O 3.45Å; K276-Q318 HydrophobicContact CB-CG 4.35Å; K276-Q318 HydrophobicContact CG-CG 4.41Å |
| 277 | V | 89.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 103.3 | 166.5 | -173 | 0 | 0 | 0 | 0 | 107 | L255 F257 G280 V282 A313 K314 T315 G316 E317 | L255-V277 HydrophobicContact CD1-CG1 3.7Å; F257-V277 HydrophobicContact CD2-CG2 3.89Å; F257-V277 HydrophobicContact CE2-CG2 4.36Å; V277-G280 WeakPolarHBondContact CG1-O 3.4Å; V277-V282 HydrophobicContact CG2-CG1 3.79Å; V277-A313 HydrophobicContact CG2-CB 4.09Å; V277-K314 VanDerWaalsContact CB-O 3.3Å; V277-K314 WeakPolarHBondContact CB-O 3.45Å; V277-T315 CarbonylContact O-C 3.6Å; V277-G316 WeakPolarHBondContact O-CA 3.28Å; V277-G316 PolarHBondContact O-N 3.16Å; V277-E317 PolarHBondContact N-O 3.4Å |
| 278 | V | 85.9 | Confident | 89.1 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -42.1 | -178.6 | -175 | 0 | 0 | 0 | 0 | 110.9 | R256 T258 K276 T315 F374 E422 L423 | R256-V278 HydrophobicContact CB-CB 4.26Å; R256-V278 PolarHBondContact O-N 3.43Å; T258-V278 HydrophobicContact CG2-CG2 3.43Å; T258-V278 VanDerWaalsContact CG2-CG2 3.43Å; K276-V278 PolarHBondContact O-N 2.99Å; K276-V278 VanDerWaalsContact O-N 3.14Å; V278-T315 VanDerWaalsContact O-CG2 3.3Å; V278-T315 WeakPolarHBondContact O-CG2 3.49Å; V278-F374 HydrophobicContact CG1-CE1 4.41Å; V278-F374 HydrophobicContact CG1-CZ 4.25Å; V278-F374 HydrophobicContact CG2-CD1 4.33Å; V278-F374 HydrophobicContact CG2-CE1 3.52Å; V278-F374 HydrophobicContact CG2-CZ 3.98Å; V278-E422 HydrophobicContact CG1-CB 3.46Å; V278-E422 VanDerWaalsContact CG1-CB 3.46Å; V278-E422 HydrophobicContact CG1-CG 3.87Å; V278-L423 HydrophobicContact CG1-CG 4.28Å |
| 279 | I | 86.9 | Confident | 90.5 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.5 | 173.4 | -45.9 | 172.8 | 0 | 0 | 0 | 109.1 | N253 L255 R256 T315 M419 S420 | N253-I279 HydrophobicContact CB-CD1 4.35Å; N253-I279 HydrophobicContact CB-CG2 3.7Å; L255-I279 CarbonylContact C-O 3.59Å; L255-I279 VanDerWaalsContact CA-O 3.23Å; L255-I279 WeakPolarHBondContact CA-O 3.17Å; L255-I279 WeakPolarHBondContact CD1-O 3.41Å; R256-I279 PolarHBondContact N-O 3.19Å; R256-I279 PolarHBondContact O-N 2.92Å; I279-T315 VanDerWaalsContact C-OG1 3.32Å; I279-T315 WeakPolarHBondContact CA-OG1 3.46Å; I279-M419 WeakPolarHBondContact CD1-O 3.5Å; I279-S420 VanDerWaalsContact CD1-CB 3.41Å |
| 280 | G | 87.9 | Confident | 91.4 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 82.6 | -158.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | V277 T315 | V277-G280 WeakPolarHBondContact CG1-O 3.4Å; G280-T315 PolarHBondContact N-OG1 3.07Å; G280-T315 PolarHBondContact O-N 2.82Å; G280-T315 PolarHBondContact O-OG1 3.43Å |
| 281 | T | 90.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 25.1 Ų | 25.1 | 29% | 0.288 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.8 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 107.9 | Q312 A313 K314 | T281-Q312 HydrophobicContact CG2-CB 3.95Å; T281-A313 CarbonylContact C-O 3.55Å; T281-A313 WeakPolarHBondContact CA-O 3.41Å; T281-A313 WeakPolarHBondContact CG2-O 3.32Å; T281-K314 HydrophobicContact CG2-CG 4.34Å |
| 282 | V | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 169.1 | 60.4 | 0 | 0 | 0 | 0 | 108.5 | L255 V277 L288 V299 I302 Q312 A313 | L255-V282 HydrophobicContact CD1-CB 4.14Å; L255-V282 HydrophobicContact CD2-CB 3.86Å; L255-V282 HydrophobicContact CD2-CG2 4.21Å; V277-V282 HydrophobicContact CG2-CG1 3.79Å; V282-L288 HydrophobicContact CG2-CD1 4.21Å; V282-V299 HydrophobicContact CG2-CG1 4.45Å; V282-V299 HydrophobicContact CG2-CG2 3.91Å; V282-I302 HydrophobicContact CG1-CD1 4.15Å; V282-I302 HydrophobicContact CG2-CD1 4.32Å; V282-I302 WeakPolarHBondContact O-CD1 3.39Å; V282-Q312 CarbonylContact O-C 3.55Å; V282-Q312 WeakPolarHBondContact O-CA 3.34Å; V282-A313 HydrophobicContact CG1-CB 3.78Å; V282-A313 PolarHBondContact N-O 2.97Å; V282-A313 PolarHBondContact O-N 3.43Å |
| 283 | S | 94.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.154 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151 | 177.9 | -45.7 | 0 | 0 | 0 | 0 | 110.9 | G285 N286 T311 Q312 | S283-G285 PolarHBondContact O-N 2.81Å; S283-N286 PolarHBondContact N-OD1 3.38Å; S283-N286 WeakPolarHBondContact O-CB 3.44Å; S283-N286 PolarHBondContact O-N 2.89Å; S283-N286 PolarHBondContact O-ND2 3.13Å; S283-T311 WeakPolarHBondContact CA-O 3.4Å; S283-Q312 WeakPolarHBondContact OG-CG 3.3Å; S283-Q312 PolarHBondContact OG-NE2 2.89Å |
| 284 | V | 95.8 | Very high | 91.7 | Very high | 68 Ų | 68 | 30.7 Ų | 30.7 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134.1 | 169.1 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | K300 I302 T311 | V284-K300 WeakPolarHBondContact CG1-O 3.31Å; V284-I302 HydrophobicContact CG2-CD1 4.13Å; V284-I302 HydrophobicContact CG2-CG1 4.12Å; V284-T311 PolarHBondContact N-O 3.06Å |
| 285 | G | 94.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -7.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | S283 K287 V299 | S283-G285 PolarHBondContact O-N 2.81Å; G285-K287 PolarHBondContact O-N 3.03Å; G285-V299 WeakPolarHBondContact CA-O 3.5Å; G285-V299 PolarHBondContact N-O 2.9Å |
| 286 | N | 95.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.8 Ų | 34.8 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -60.4 | 134.7 | 173.8 | -77.5 | -172.9 | 0 | 0 | 0 | 111.3 | S283 L288 V298 V299 | S283-N286 PolarHBondContact N-OD1 3.38Å; S283-N286 WeakPolarHBondContact O-CB 3.44Å; S283-N286 PolarHBondContact O-N 2.89Å; S283-N286 PolarHBondContact O-ND2 3.13Å; N286-L288 HydrophobicContact CB-CD2 4.17Å; N286-L288 HydrophobicContact CB-CG 4.42Å; N286-V298 WeakPolarHBondContact O-CA 3.41Å; N286-V299 HydrophobicContact CB-CG2 4.21Å; N286-V299 PolarHBondContact O-N 3.43Å | ||
| 287 | K | 95.8 | Very high | 92.4 | Very high | 121 Ų | 121 | 34.2 Ų | 34.2 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.2 | 170.2 | -167.1 | -178.5 | -179.5 | 179.1 | 0 | 109 | G285 G297 V298 V340 | G285-K287 PolarHBondContact O-N 3.03Å; K287-G297 CarbonylContact C-O 3.57Å; K287-G297 WeakPolarHBondContact CA-O 3.25Å; K287-V298 HydrophobicContact CG-CG2 4.35Å; K287-V340 HydrophobicContact CB-CG2 4.42Å; K287-V340 HydrophobicContact CD-CG2 4.11Å; K287-V340 HydrophobicContact CG-CG2 3.84Å |
| 288 | L | 95.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153.3 | -177.4 | -55.5 | -178.7 | 0 | 0 | 0 | 110.3 | L255 V282 N286 T296 G297 V299 I321 L337 C338 | L255-L288 HydrophobicContact CD2-CD1 4.49Å; L255-L288 HydrophobicContact CD2-CD2 3.64Å; V282-L288 HydrophobicContact CG2-CD1 4.21Å; N286-L288 HydrophobicContact CB-CD2 4.17Å; N286-L288 HydrophobicContact CB-CG 4.42Å; L288-T296 CarbonylContact O-C 3.57Å; L288-T296 WeakPolarHBondContact O-CA 3.32Å; L288-G297 PolarHBondContact N-O 2.96Å; L288-G297 PolarHBondContact O-N 2.88Å; L288-V299 HydrophobicContact CD1-CG2 3.57Å; L288-V299 HydrophobicContact CG-CG2 4.06Å; L288-I321 HydrophobicContact CD1-CD1 4.32Å; L288-L337 HydrophobicContact CB-CD2 4.39Å; L288-L337 HydrophobicContact CD1-CB 4.21Å; L288-L337 HydrophobicContact CD1-CD1 4.47Å; L288-C338 CarbonylContact C-O 3.58Å; L288-C338 VanDerWaalsContact CA-O 3.31Å; L288-C338 WeakPolarHBondContact CA-O 3.27Å |
| 289 | I | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 36.1 Ų | 36.1 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.4 | 168.8 | -171.9 | 168.5 | 0 | 0 | 0 | 108.9 | I291 Q295 T296 L337 C338 V340 P343 | I289-I291 HydrophobicContact CD1-CD1 3.93Å; I289-I291 HydrophobicContact CG1-CD1 3.89Å; I289-I291 HydrophobicContact CG2-CD1 4.14Å; I289-I291 HydrophobicContact CG2-CG1 4.33Å; I289-Q295 CarbonylContact C-O 3.59Å; I289-Q295 WeakPolarHBondContact CA-O 3.12Å; I289-T296 HydrophobicContact CB-CG2 4.16Å; I289-T296 HydrophobicContact CD1-CG2 4.29Å; I289-T296 HydrophobicContact CG1-CG2 4.08Å; I289-L337 WeakPolarHBondContact O-CA 3.36Å; I289-C338 WeakPolarHBondContact CG2-O 3.42Å; I289-C338 VanDerWaalsContact CG2-SG 3.52Å; I289-C338 PolarHBondContact N-O 3.24Å; I289-C338 PolarHBondContact O-N 3.3Å; I289-V340 HydrophobicContact CB-CG2 4.26Å; I289-P343 HydrophobicContact CG2-CB 4.34Å |
| 290 | V | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.2 | 171.9 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | S293 G294 Q295 V326 I331 D335 L337 | V290-S293 WeakPolarHBondContact CB-OG 3.43Å; V290-S293 VanDerWaalsContact CG1-OG 3.29Å; V290-S293 WeakPolarHBondContact CG1-OG 3.3Å; V290-G294 VanDerWaalsContact O-CA 3.29Å; V290-G294 WeakPolarHBondContact O-CA 3.43Å; V290-G294 PolarHBondContact O-N 2.99Å; V290-Q295 PolarHBondContact N-O 2.79Å; V290-V326 HydrophobicContact CG2-CG1 4.21Å; V290-I331 HydrophobicContact CG1-CG1 4.28Å; V290-I331 HydrophobicContact CG2-CD1 3.99Å; V290-I331 HydrophobicContact CG2-CG1 3.99Å; V290-D335 HydrophobicContact CG1-CB 4Å; V290-L337 HydrophobicContact CB-CD2 4.14Å; V290-L337 HydrophobicContact CG2-CD2 3.42Å; V290-L337 VanDerWaalsContact CG2-CD2 3.42Å |
| 291 | I | 92.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.7 | 174.5 | -54.9 | -62.5 | 0 | 0 | 0 | 108 | I289 I336 I344 A346 C413 | I289-I291 HydrophobicContact CD1-CD1 3.93Å; I289-I291 HydrophobicContact CG1-CD1 3.89Å; I289-I291 HydrophobicContact CG2-CD1 4.14Å; I289-I291 HydrophobicContact CG2-CG1 4.33Å; I291-I336 PolarHBondContact N-O 3.24Å; I291-I336 PolarHBondContact O-N 2.94Å; I291-I336 VanDerWaalsContact O-N 3.08Å; I291-I344 HydrophobicContact CB-CG2 3.8Å; I291-I344 HydrophobicContact CG1-CG2 3.82Å; I291-I344 HydrophobicContact CG2-CG2 3.97Å; I291-A346 HydrophobicContact CG2-CB 3.78Å; I291-C413 WeakPolarHBondContact CG2-SG 3.46Å |
| 292 | P | 88.3 | Confident | 93.8 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.3 | -3.7 | 17.9 | 35.9 | -34.5 | 0 | 0 | 0 | 116.8 | G294 D335 A346 | P292-G294 PolarHBondContact O-N 3.01Å; P292-D335 VanDerWaalsContact CD-OD1 3.26Å; P292-D335 WeakPolarHBondContact CD-OD1 3.3Å; P292-A346 HydrophobicContact CB-CB 3.99Å |
| 293 | S | 90 | Very high | 93.7 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 37% | 0.371 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21 | -172.8 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | V290 Q295 S330 | V290-S293 WeakPolarHBondContact CB-OG 3.43Å; V290-S293 VanDerWaalsContact CG1-OG 3.29Å; V290-S293 WeakPolarHBondContact CG1-OG 3.3Å; S293-Q295 PolarHBondContact O-N 2.92Å; S293-S330 PolarHBondContact OG-O 3.46Å |
| 294 | G | 92.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | trans | 75.3 | 1.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V290 P292 | V290-G294 VanDerWaalsContact O-CA 3.29Å; V290-G294 WeakPolarHBondContact O-CA 3.43Å; V290-G294 PolarHBondContact O-N 2.99Å; P292-G294 PolarHBondContact O-N 3.01Å | ||
| 295 | Q | 92.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | trans | -72 | 141.4 | -179.9 | -63.5 | -155.8 | 5.1 | 0 | 0 | 111 | I289 V290 S293 V326 S330 | I289-Q295 CarbonylContact C-O 3.59Å; I289-Q295 WeakPolarHBondContact CA-O 3.12Å; V290-Q295 PolarHBondContact N-O 2.79Å; S293-Q295 PolarHBondContact O-N 2.92Å; Q295-V326 HydrophobicContact CB-CG1 3.96Å; Q295-V326 HydrophobicContact CB-CG2 4.25Å; Q295-S330 PolarHBondContact OE1-OG 2.85Å | ||
| 296 | T | 94.7 | Very high | 91.1 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.5 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | L288 I289 V326 V340 | L288-T296 CarbonylContact O-C 3.57Å; L288-T296 WeakPolarHBondContact O-CA 3.32Å; I289-T296 HydrophobicContact CB-CG2 4.16Å; I289-T296 HydrophobicContact CD1-CG2 4.29Å; I289-T296 HydrophobicContact CG1-CG2 4.08Å; T296-V326 VanDerWaalsContact O-CG2 3.25Å; T296-V326 WeakPolarHBondContact O-CG2 3.01Å; T296-V340 HydrophobicContact CG2-CG2 4.14Å |
| 297 | G | 93.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 166.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K287 L288 S324 V326 | K287-G297 CarbonylContact C-O 3.57Å; K287-G297 WeakPolarHBondContact CA-O 3.25Å; L288-G297 PolarHBondContact N-O 2.96Å; L288-G297 PolarHBondContact O-N 2.88Å; G297-S324 CarbonylContact C-O 3.49Å; G297-S324 WeakPolarHBondContact CA-O 3.38Å; G297-V326 VanDerWaalsContact CA-CG2 3.42Å |
| 298 | V | 95.2 | Very high | 89.5 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.5 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | N286 K287 K300 S324 | N286-V298 WeakPolarHBondContact O-CA 3.41Å; K287-V298 HydrophobicContact CG-CG2 4.35Å; V298-K300 PolarHBondContact O-N 2.82Å; V298-S324 PolarHBondContact N-O 2.91Å; V298-S324 PolarHBondContact O-N 3.4Å; V298-S324 PolarHBondContact O-OG 3.32Å |
| 299 | V | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.9 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | V282 G285 N286 L288 I302 I321 L323 | V282-V299 HydrophobicContact CG2-CG1 4.45Å; V282-V299 HydrophobicContact CG2-CG2 3.91Å; G285-V299 WeakPolarHBondContact CA-O 3.5Å; G285-V299 PolarHBondContact N-O 2.9Å; N286-V299 HydrophobicContact CB-CG2 4.21Å; N286-V299 PolarHBondContact O-N 3.43Å; L288-V299 HydrophobicContact CD1-CG2 3.57Å; L288-V299 HydrophobicContact CG-CG2 4.06Å; V299-I302 HydrophobicContact CG1-CD1 4.17Å; V299-I302 HydrophobicContact CG1-CG1 3.74Å; V299-I321 HydrophobicContact CG1-CB 4.46Å; V299-L323 HydrophobicContact CG2-CD2 3.87Å |
| 300 | K | 94.1 | Very high | 88.9 | Confident | 122 Ų | 122 | 53.5 Ų | 53.5 | 53% | 0.53 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -34 | -178 | -69 | -64.2 | -177.1 | 178.1 | 0 | 113.7 | V284 V298 L322 S324 | V284-K300 WeakPolarHBondContact CG1-O 3.31Å; V298-K300 PolarHBondContact O-N 2.82Å; K300-L322 HydrophobicContact CB-CB 4.29Å; K300-L322 HydrophobicContact CB-CD2 3.89Å; K300-L322 HydrophobicContact CB-CG 4.23Å; K300-L322 PolarHBondContact N-O 3.02Å; K300-S324 WeakPolarHBondContact CE-OG 3.35Å; K300-S324 WeakPolarHBondContact CG-OG 3.12Å |
| 301 | S | 93.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 155.3 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | E309 I321 L322 | S301-E309 PolarHBondContact OG-OE1 2.83Å; S301-I321 WeakPolarHBondContact O-CA 3.41Å; S301-L322 PolarHBondContact O-N 3.31Å |
| 302 | I | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.9 | 176.6 | -57.7 | 169.9 | 0 | 0 | 0 | 106.5 | V282 V284 V299 E309 R310 A313 C319 I321 | V282-I302 HydrophobicContact CG1-CD1 4.15Å; V282-I302 HydrophobicContact CG2-CD1 4.32Å; V282-I302 WeakPolarHBondContact O-CD1 3.39Å; V284-I302 HydrophobicContact CG2-CD1 4.13Å; V284-I302 HydrophobicContact CG2-CG1 4.12Å; V299-I302 HydrophobicContact CG1-CD1 4.17Å; V299-I302 HydrophobicContact CG1-CG1 3.74Å; I302-E309 WeakPolarHBondContact O-CA 3.33Å; I302-R310 PolarHBondContact O-N 2.86Å; I302-A313 HydrophobicContact CG2-CB 3.89Å; I302-C319 HydrophobicContact CG2-CB 4.01Å; I302-I321 HydrophobicContact CG1-CG2 4.12Å; I302-I321 HydrophobicContact CG2-CG2 4.34Å |
| 303 | L | 90.9 | Very high | 88.8 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.7 | 175.4 | -62.4 | 170.1 | 0 | 0 | 0 | 109.6 | Y272 E308 E309 C319 S320 | Y272-L303 HydrophobicContact CD1-CD1 4.02Å; Y272-L303 HydrophobicContact CE1-CD1 3.37Å; Y272-L303 HydrophobicContact CE1-CG 4.04Å; L303-E308 CarbonylContact C-O 3.46Å; L303-E308 VanDerWaalsContact CA-O 3.31Å; L303-E308 WeakPolarHBondContact CA-O 3.45Å; L303-E309 HydrophobicContact CD2-CB 4.34Å; L303-E309 HydrophobicContact CD2-CG 3.36Å; L303-C319 CarbonylContact O-C 3.59Å; L303-C319 WeakPolarHBondContact O-CA 3.47Å; L303-C319 WeakPolarHBondContact O-CB 3.48Å; L303-S320 PolarHBondContact N-O 2.92Å; L303-S320 PolarHBondContact O-N 2.99Å |
| 304 | I | 84.2 | Confident | 88.7 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.5 | 171 | -55.1 | -159.2 | 0 | 0 | 0 | 108.5 | E308 R310 A313 E317 C319 | I304-E308 PolarHBondContact N-O 3.49Å; I304-E308 VanDerWaalsContact O-CB 3.28Å; I304-E308 WeakPolarHBondContact O-CB 3.45Å; I304-E308 PolarHBondContact O-N 3.07Å; I304-R310 HydrophobicContact CD1-CG 4.5Å; I304-R310 HydrophobicContact CG1-CG 4.44Å; I304-A313 HydrophobicContact CD1-CB 4.11Å; I304-E317 HydrophobicContact CD1-CB 4.37Å; I304-E317 WeakPolarHBondContact CD1-OE2 3.36Å; I304-C319 HydrophobicContact CG1-CB 3.92Å |
| 305 | G | 76.5 | Confident | 88.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -145.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 306 | D | 70.3 | Confident | 87.7 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -40.2 | -171.3 | -64.2 | -29.2 | 0 | 0 | 0 | 112.5 | ||
| 307 | D | 73.9 | Confident | 87.1 | Confident | 146 Ų | 146 | 53.2 Ų | 53.2 | 78% | 0.781 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.1 | 9 | -171.9 | -73.5 | -52.7 | 0 | 0 | 0 | 115.5 | E309 | D307-E309 PolarHBondContact O-N 2.72Š|
| 308 | E | 82.4 | Confident | 86.8 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 105 | -177.9 | -163.6 | -159.3 | 159.6 | 0 | 0 | 111.7 | L303 I304 R310 | L303-E308 CarbonylContact C-O 3.46Å; L303-E308 VanDerWaalsContact CA-O 3.31Å; L303-E308 WeakPolarHBondContact CA-O 3.45Å; I304-E308 PolarHBondContact N-O 3.49Å; I304-E308 VanDerWaalsContact O-CB 3.28Å; I304-E308 WeakPolarHBondContact O-CB 3.45Å; I304-E308 PolarHBondContact O-N 3.07Å; E308-R310 HydrophobicContact CG-CG 4.3Å; E308-R310 PolarHBondContact O-N 3.5Å; E308-R310 WeakPolarHBondContact OE1-CD 3.46Å; E308-R310 WeakPolarHBondContact OE1-CG 3.44Å; E308-R310 IonicContact OE1-NE 3.17Å |
| 309 | E | 88.4 | Confident | 86.6 | Confident | 139 Ų | 139 | 52.2 Ų | 52.2 | 65% | 0.65 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.6 | 172.1 | -78.3 | -162.9 | 154.4 | 0 | 0 | 112 | S301 I302 L303 D307 | S301-E309 PolarHBondContact OG-OE1 2.83Å; I302-E309 WeakPolarHBondContact O-CA 3.33Å; L303-E309 HydrophobicContact CD2-CB 4.34Å; L303-E309 HydrophobicContact CD2-CG 3.36Å; D307-E309 PolarHBondContact O-N 2.72Å |
| 310 | R | 90.3 | Very high | 86.5 | Confident | 75 Ų | 75 | 53 Ų | 53 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.5 | 174.3 | -63.6 | -175.6 | 81.5 | -172.6 | 6.6 | 111.6 | I302 I304 E308 Q312 E317 | I302-R310 PolarHBondContact O-N 2.86Å; I304-R310 HydrophobicContact CD1-CG 4.5Å; I304-R310 HydrophobicContact CG1-CG 4.44Å; E308-R310 HydrophobicContact CG-CG 4.3Å; E308-R310 PolarHBondContact O-N 3.5Å; E308-R310 WeakPolarHBondContact OE1-CD 3.46Å; E308-R310 WeakPolarHBondContact OE1-CG 3.44Å; E308-R310 IonicContact OE1-NE 3.17Å; R310-Q312 VanDerWaalsContact C-N 3.35Å; R310-E317 IonicContact NH1-OE1 3.27Å; R310-E317 PolarHBondContact NH1-OE1 2.87Å; R310-E317 IonicContact NH1-OE2 2.98Å |
| 311 | T | 91.6 | Very high | 86.5 | Confident | 110 Ų | 110 | 47.2 Ų | 47.2 | 68% | 0.675 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.8 | -22.8 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | S283 V284 | S283-T311 WeakPolarHBondContact CA-O 3.4Å; V284-T311 PolarHBondContact N-O 3.06Å |
| 312 | Q | 92.1 | Very high | 86.5 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 150.2 | -178.8 | -52.2 | -169.8 | -3.1 | 0 | 0 | 110.8 | T281 V282 S283 R310 | T281-Q312 HydrophobicContact CG2-CB 3.95Å; V282-Q312 CarbonylContact O-C 3.55Å; V282-Q312 WeakPolarHBondContact O-CA 3.34Å; S283-Q312 WeakPolarHBondContact OG-CG 3.3Å; S283-Q312 PolarHBondContact OG-NE2 2.89Å; R310-Q312 VanDerWaalsContact C-N 3.35Å |
| 313 | A | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V277 T281 V282 I302 I304 E317 C319 | V277-A313 HydrophobicContact CG2-CB 4.09Å; T281-A313 CarbonylContact C-O 3.55Å; T281-A313 WeakPolarHBondContact CA-O 3.41Å; T281-A313 WeakPolarHBondContact CG2-O 3.32Å; V282-A313 HydrophobicContact CG1-CB 3.78Å; V282-A313 PolarHBondContact N-O 2.97Å; V282-A313 PolarHBondContact O-N 3.43Å; I302-A313 HydrophobicContact CG2-CB 3.89Å; I304-A313 HydrophobicContact CD1-CB 4.11Å; A313-E317 WeakPolarHBondContact CA-OE2 3.42Å; A313-E317 HydrophobicContact CB-CB 4.47Å; A313-E317 WeakPolarHBondContact CB-OE2 3.36Å; A313-C319 HydrophobicContact CB-CB 4.19Å; A313-C319 VanDerWaalsContact CB-SG 3.53Å |
| 314 | K | 87.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 48 Ų | 48 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 167.5 | -174.4 | -63.5 | -178.1 | -179.1 | -176.9 | 0 | 111.6 | E16 T19 V277 T281 G316 E317 | E16-K314 PolarHBondContact O-NZ 3.33Å; T19-K314 HydrophobicContact CG2-CB 3.89Å; V277-K314 VanDerWaalsContact CB-O 3.3Å; V277-K314 WeakPolarHBondContact CB-O 3.45Å; T281-K314 HydrophobicContact CG2-CG 4.34Å; K314-G316 PolarHBondContact O-N 2.79Å; K314-E317 PolarHBondContact N-OE2 3.48Å; K314-E317 WeakPolarHBondContact O-CG 3.34Å; K314-E317 PolarHBondContact O-N 3.08Å; K314-E317 VanDerWaalsContact O-N 3.12Å |
| 315 | T | 84.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 129.7 | 173.9 | -64.4 | 0 | 0 | 0 | 0 | 111 | T19 R249 V277 V278 I279 G280 | T19-T315 WeakPolarHBondContact CG2-O 3.35Å; R249-T315 HydrophobicContact CB-CG2 4.16Å; R249-T315 WeakPolarHBondContact CD-O 3.31Å; R249-T315 HydrophobicContact CG-CG2 4.46Å; R249-T315 PolarHBondContact NH1-O 2.84Å; V277-T315 CarbonylContact O-C 3.6Å; V278-T315 VanDerWaalsContact O-CG2 3.3Å; V278-T315 WeakPolarHBondContact O-CG2 3.49Å; I279-T315 VanDerWaalsContact C-OG1 3.32Å; I279-T315 WeakPolarHBondContact CA-OG1 3.46Å; G280-T315 PolarHBondContact N-OG1 3.07Å; G280-T315 PolarHBondContact O-N 2.82Å; G280-T315 PolarHBondContact O-OG1 3.43Å |
| 316 | G | 79.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -12.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K276 V277 K314 | K276-G316 WeakPolarHBondContact CE-O 3.24Å; V277-G316 WeakPolarHBondContact O-CA 3.28Å; V277-G316 PolarHBondContact O-N 3.16Å; K314-G316 PolarHBondContact O-N 2.79Å |
| 317 | E | 82.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | trans | -72.4 | 141 | 173.8 | -55.1 | -176.1 | 142.7 | 0 | 0 | 110.8 | T19 K276 V277 I304 R310 A313 K314 | T19-E317 HydrophobicContact CG2-CB 4.45Å; T19-E317 HydrophobicContact CG2-CG 3.12Å; K276-E317 WeakPolarHBondContact CA-O 3.45Å; V277-E317 PolarHBondContact N-O 3.4Å; I304-E317 HydrophobicContact CD1-CB 4.37Å; I304-E317 WeakPolarHBondContact CD1-OE2 3.36Å; R310-E317 IonicContact NH1-OE1 3.27Å; R310-E317 PolarHBondContact NH1-OE1 2.87Å; R310-E317 IonicContact NH1-OE2 2.98Å; A313-E317 WeakPolarHBondContact CA-OE2 3.42Å; A313-E317 HydrophobicContact CB-CB 4.47Å; A313-E317 WeakPolarHBondContact CB-OE2 3.36Å; K314-E317 PolarHBondContact N-OE2 3.48Å; K314-E317 WeakPolarHBondContact O-CG 3.34Å; K314-E317 PolarHBondContact O-N 3.08Å; K314-E317 VanDerWaalsContact O-N 3.12Å | ||
| 318 | Q | 85.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 44 Ų | 44 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.6 | 163.3 | -70.9 | 168.9 | -37.6 | 0 | 0 | 108.2 | G275 K276 | G275-Q318 VanDerWaalsContact O-CA 3.28Å; G275-Q318 WeakPolarHBondContact O-CA 3.48Å; K276-Q318 HydrophobicContact CB-CG 4.35Å; K276-Q318 HydrophobicContact CG-CG 4.41Å |
| 319 | C | 90.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158.1 | -178.8 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | G275 I302 L303 I304 A313 | G275-C319 PolarHBondContact N-O 2.81Å; G275-C319 VanDerWaalsContact N-O 3.09Å; G275-C319 PolarHBondContact O-N 3.36Å; I302-C319 HydrophobicContact CG2-CB 4.01Å; L303-C319 CarbonylContact O-C 3.59Å; L303-C319 WeakPolarHBondContact O-CA 3.47Å; L303-C319 WeakPolarHBondContact O-CB 3.48Å; I304-C319 HydrophobicContact CG1-CB 3.92Å; A313-C319 HydrophobicContact CB-CB 4.19Å; A313-C319 VanDerWaalsContact CB-SG 3.53Å |
| 320 | S | 93.1 | Very high | 89 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.5 | 174.6 | -46.9 | 0 | 0 | 0 | 0 | 108.9 | V273 D274 L303 | V273-S320 WeakPolarHBondContact O-CA 3.39Å; D274-S320 WeakPolarHBondContact OD1-CB 3.44Å; D274-S320 PolarHBondContact OD1-OG 3.19Å; L303-S320 PolarHBondContact N-O 2.92Å; L303-S320 PolarHBondContact O-N 2.99Å |
| 321 | I | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134 | -179.3 | 65.1 | 172.1 | 0 | 0 | 0 | 111.1 | F257 Y272 V273 L288 V299 S301 I302 L323 L337 | F257-I321 HydrophobicContact CD1-CD1 4.37Å; F257-I321 HydrophobicContact CE1-CD1 4.13Å; F257-I321 HydrophobicContact CE1-CG1 4.37Å; F257-I321 HydrophobicContact CE2-CG2 4.22Å; F257-I321 HydrophobicContact CZ-CD1 4.25Å; F257-I321 HydrophobicContact CZ-CG1 4.21Å; F257-I321 HydrophobicContact CZ-CG2 4.3Å; Y272-I321 CarbonylContact C-O 3.58Å; Y272-I321 WeakPolarHBondContact CA-O 3.37Å; V273-I321 HydrophobicContact CB-CG1 3.93Å; V273-I321 PolarHBondContact N-O 3.4Å; V273-I321 WeakPolarHBondContact O-CG1 3.49Å; V273-I321 PolarHBondContact O-N 3.38Å; L288-I321 HydrophobicContact CD1-CD1 4.32Å; V299-I321 HydrophobicContact CG1-CB 4.46Å; S301-I321 WeakPolarHBondContact O-CA 3.41Å; I302-I321 HydrophobicContact CG1-CG2 4.12Å; I302-I321 HydrophobicContact CG2-CG2 4.34Å; I321-L323 HydrophobicContact CD1-CD1 4.28Å; I321-L323 HydrophobicContact CD1-CD2 3.97Å; I321-L323 HydrophobicContact CD1-CG 4.04Å; I321-L323 HydrophobicContact CG1-CG 4.22Å; I321-L323 PolarHBondContact O-N 3.33Å; I321-L337 HydrophobicContact CD1-CD1 3.46Å; I321-L337 VanDerWaalsContact CD1-CD1 3.46Å |
| 322 | L | 94 | Very high | 88.8 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 110.7 | 172.9 | -169.6 | 69.4 | 0 | 0 | 0 | 109 | N270 F271 Y272 K300 S301 | N270-L322 HydrophobicContact CB-CD1 3.69Å; F271-L322 WeakPolarHBondContact O-CD1 3.38Å; Y272-L322 HydrophobicContact CD1-CB 4.12Å; Y272-L322 HydrophobicContact CD1-CD1 4.21Å; Y272-L322 HydrophobicContact CD2-CD1 4.16Å; Y272-L322 HydrophobicContact CE1-CB 3.83Å; Y272-L322 HydrophobicContact CE1-CD1 4.01Å; Y272-L322 HydrophobicContact CE1-CG 4.45Å; Y272-L322 HydrophobicContact CE2-CD1 3.95Å; Y272-L322 HydrophobicContact CG-CD1 4.28Å; K300-L322 HydrophobicContact CB-CB 4.29Å; K300-L322 HydrophobicContact CB-CD2 3.89Å; K300-L322 HydrophobicContact CB-CG 4.23Å; K300-L322 PolarHBondContact N-O 3.02Å; S301-L322 PolarHBondContact O-N 3.31Å |
| 323 | L | 92 | Very high | 88.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.6 | 177.6 | -71.6 | -179.9 | 0 | 0 | 0 | 111.8 | F271 V273 V299 I321 I331 L337 | F271-L323 HydrophobicContact CE2-CB 4.17Å; F271-L323 HydrophobicContact CZ-CB 4.22Å; V273-L323 HydrophobicContact CB-CD1 4.49Å; V273-L323 HydrophobicContact CG2-CD1 3.79Å; V273-L323 HydrophobicContact CG2-CG 4.29Å; V299-L323 HydrophobicContact CG2-CD2 3.87Å; I321-L323 HydrophobicContact CD1-CD1 4.28Å; I321-L323 HydrophobicContact CD1-CD2 3.97Å; I321-L323 HydrophobicContact CD1-CG 4.04Å; I321-L323 HydrophobicContact CG1-CG 4.22Å; I321-L323 PolarHBondContact O-N 3.33Å; L323-I331 HydrophobicContact CD1-CD1 3.97Å; L323-L337 HydrophobicContact CD1-CD1 3.81Å; L323-L337 HydrophobicContact CD1-CD2 3.94Å |
| 324 | S | 91.8 | Very high | 88.1 | Confident | 28 Ų | 28 | 37 Ų | 37 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.8 | 174.5 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | G297 V298 K300 | G297-S324 CarbonylContact C-O 3.49Å; G297-S324 WeakPolarHBondContact CA-O 3.38Å; V298-S324 PolarHBondContact N-O 2.91Å; V298-S324 PolarHBondContact O-N 3.4Å; V298-S324 PolarHBondContact O-OG 3.32Å; K300-S324 WeakPolarHBondContact CE-OG 3.35Å; K300-S324 WeakPolarHBondContact CG-OG 3.12Å |
| 325 | G | 88.1 | Confident | 88.2 | Confident | 77 Ų | 77 | 34 Ų | 34 | 79% | 0.794 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 87.6 | 6.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 326 | V | 89.1 | Confident | 88.6 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -122.2 | 151 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | F271 V290 Q295 T296 G297 S330 I331 | F271-V326 WeakPolarHBondContact CE1-O 3.23Å; F271-V326 HydrophobicContact CZ-CB 4.25Å; F271-V326 HydrophobicContact CZ-CG1 4.42Å; V290-V326 HydrophobicContact CG2-CG1 4.21Å; Q295-V326 HydrophobicContact CB-CG1 3.96Å; Q295-V326 HydrophobicContact CB-CG2 4.25Å; T296-V326 VanDerWaalsContact O-CG2 3.25Å; T296-V326 WeakPolarHBondContact O-CG2 3.01Å; G297-V326 VanDerWaalsContact CA-CG2 3.42Å; V326-S330 WeakPolarHBondContact CG1-OG 3.48Å; V326-I331 HydrophobicContact CG1-CD1 3.73Å; V326-I331 HydrophobicContact CG1-CG1 3.82Å |
| 327 | N | 88.8 | Confident | 89.3 | Confident | 89 Ų | 89 | 33.2 Ų | 33.2 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | trans | -84.8 | 130.5 | 173.5 | -168.7 | -36.3 | 0 | 0 | 0 | 110.5 | N329 S330 | N327-N329 PolarHBondContact O-N 3.45Å; N327-N329 VanDerWaalsContact O-N 3.15Å; N327-N329 PolarHBondContact OD1-N 2.89Å; N327-S330 WeakPolarHBondContact O-CB 3.47Å; N327-S330 PolarHBondContact O-N 3.33Å; N327-S330 PolarHBondContact O-OG 3.38Å | ||
| 328 | M | 88.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 33 Ų | 33 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -51.8 | -38.3 | 176.6 | -172.5 | -178.5 | 174.6 | 0 | 0 | 112 | V262 K264 F271 S330 I331 | V262-M328 HydrophobicContact CG1-CE 4.07Å; V262-M328 HydrophobicContact CG1-CG 3.74Å; K264-M328 HydrophobicContact CB-CE 4.45Å; K264-M328 HydrophobicContact CB-SD 4.44Å; F271-M328 HydrophobicContact CB-CG 4.12Å; F271-M328 HydrophobicContact CB-SD 4.09Å; F271-M328 HydrophobicContact CD1-CB 3.75Å; F271-M328 HydrophobicContact CD1-CG 4.24Å; F271-M328 HydrophobicContact CD2-CG 4.4Å; F271-M328 HydrophobicContact CE1-CB 4.08Å; F271-M328 HydrophobicContact CG-CB 4.02Å; F271-M328 HydrophobicContact CG-CG 3.98Å; M328-S330 PolarHBondContact O-N 3.08Å; M328-I331 PolarHBondContact O-N 3.04Å |
| 329 | N | 88.1 | Confident | 90.2 | Very high | 141 Ų | 141 | 33.6 Ų | 33.6 | 75% | 0.754 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -72.5 | -8.9 | -178 | -64 | -13 | 0 | 0 | 0 | 114.1 | N327 | N327-N329 PolarHBondContact O-N 3.45Å; N327-N329 VanDerWaalsContact O-N 3.15Å; N327-N329 PolarHBondContact OD1-N 2.89Å |
| 330 | S | 87.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -97.3 | -1.6 | 179.1 | 70.6 | 0 | 0 | 0 | 0 | 114.2 | S293 Q295 V326 N327 M328 | S293-S330 PolarHBondContact OG-O 3.46Å; Q295-S330 PolarHBondContact OE1-OG 2.85Å; V326-S330 WeakPolarHBondContact CG1-OG 3.48Å; N327-S330 WeakPolarHBondContact O-CB 3.47Å; N327-S330 PolarHBondContact O-N 3.33Å; N327-S330 PolarHBondContact O-OG 3.38Å; M328-S330 PolarHBondContact O-N 3.08Å |
| 331 | I | 89.7 | Confident | 90.3 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | trans | -113.8 | 125.2 | 177.4 | -50.7 | -175.6 | 0 | 0 | 0 | 107.4 | V259 V262 F271 V273 V290 L323 V326 M328 D335 | V259-I331 HydrophobicContact CB-CG2 4.46Å; V259-I331 HydrophobicContact CG1-CG2 3.96Å; V259-I331 HydrophobicContact CG2-CG2 4Å; V262-I331 HydrophobicContact CG2-CB 4.1Å; V262-I331 HydrophobicContact CG2-CG2 3.75Å; F271-I331 HydrophobicContact CE2-CD1 3.65Å; F271-I331 HydrophobicContact CZ-CD1 3.94Å; V273-I331 HydrophobicContact CG1-CG2 4.47Å; V273-I331 HydrophobicContact CG2-CD1 3.92Å; V290-I331 HydrophobicContact CG1-CG1 4.28Å; V290-I331 HydrophobicContact CG2-CD1 3.99Å; V290-I331 HydrophobicContact CG2-CG1 3.99Å; L323-I331 HydrophobicContact CD1-CD1 3.97Å; V326-I331 HydrophobicContact CG1-CD1 3.73Å; V326-I331 HydrophobicContact CG1-CG1 3.82Å; M328-I331 PolarHBondContact O-N 3.04Å; I331-D335 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 332 | I | 87.7 | Confident | 90.2 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | trans | -123.2 | 160.2 | 175 | 60 | 169.9 | 0 | 0 | 0 | 110.6 | G334 D335 | I332-G334 PolarHBondContact O-N 2.88Å; I332-D335 WeakPolarHBondContact CG1-OD1 3.4Å; I332-D335 PolarHBondContact N-OD2 3.17Å; I332-D335 WeakPolarHBondContact O-CB 3.46Å; I332-D335 PolarHBondContact O-N 3.35Å; I332-D335 VanDerWaalsContact O-N 3.1Å | ||
| 333 | A | 84.5 | Confident | 90 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 127.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S260 Y375 I377 | S260-A333 VanDerWaalsContact O-CB 3.26Å; S260-A333 WeakPolarHBondContact O-CB 3.35Å; A333-Y375 HydrophobicContact CB-CE1 4.13Å; A333-I377 WeakPolarHBondContact O-CD1 3.36Å; A333-I377 WeakPolarHBondContact O-CG1 3.38Å |
| 334 | G | 82.7 | Confident | 90 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 4.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | V259 I332 | V259-G334 PolarHBondContact O-N 3.01Å; I332-G334 PolarHBondContact O-N 2.88Å |
| 335 | D | 89.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -61.8 | 157.6 | 158.1 | -72 | -15.5 | 0 | 0 | 0 | 110.5 | V259 V290 P292 I331 I332 | V259-D335 HydrophobicContact CG2-CB 4.29Å; V259-D335 WeakPolarHBondContact CG2-O 3.42Å; V259-D335 PolarHBondContact N-O 3.06Å; V290-D335 HydrophobicContact CG1-CB 4Å; P292-D335 VanDerWaalsContact CD-OD1 3.26Å; P292-D335 WeakPolarHBondContact CD-OD1 3.3Å; I331-D335 WeakPolarHBondContact CA-OD2 3.42Å; I332-D335 WeakPolarHBondContact CG1-OD1 3.4Å; I332-D335 PolarHBondContact N-OD2 3.17Å; I332-D335 WeakPolarHBondContact O-CB 3.46Å; I332-D335 PolarHBondContact O-N 3.35Å; I332-D335 VanDerWaalsContact O-N 3.1Å | ||
| 336 | I | 91.8 | Very high | 90 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.8 | 177.3 | -60.1 | -169 | 0 | 0 | 0 | 109.9 | F257 T258 I291 I344 C413 L423 | F257-I336 WeakPolarHBondContact O-CA 3.46Å; T258-I336 HydrophobicContact CG2-CD1 4.26Å; T258-I336 HydrophobicContact CG2-CG1 4.25Å; I291-I336 PolarHBondContact N-O 3.24Å; I291-I336 PolarHBondContact O-N 2.94Å; I291-I336 VanDerWaalsContact O-N 3.08Å; I336-I344 HydrophobicContact CB-CG2 4.2Å; I336-I344 HydrophobicContact CD1-CD1 3.97Å; I336-I344 HydrophobicContact CG2-CG2 4.06Å; I336-C413 HydrophobicContact CB-CB 4.31Å; I336-C413 HydrophobicContact CD1-CB 3.52Å; I336-C413 HydrophobicContact CG1-CB 3.91Å; I336-L423 HydrophobicContact CD1-CD1 4.03Å; I336-L423 HydrophobicContact CD1-CD2 3.67Å; I336-L423 HydrophobicContact CD1-CG 4.49Å |
| 337 | L | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.7 | 168.7 | -67 | 170.4 | 0 | 0 | 0 | 109.6 | F257 V259 V273 L288 I289 V290 I321 L323 | F257-L337 HydrophobicContact CB-CB 4.08Å; F257-L337 HydrophobicContact CD1-CB 4.29Å; F257-L337 HydrophobicContact CD1-CD1 3.69Å; F257-L337 HydrophobicContact CD1-CG 4.39Å; F257-L337 HydrophobicContact CE1-CD1 4.12Å; F257-L337 HydrophobicContact CG-CD1 4.49Å; F257-L337 PolarHBondContact N-O 3.47Å; F257-L337 PolarHBondContact O-N 3.15Å; V259-L337 HydrophobicContact CG2-CD1 4.25Å; V259-L337 HydrophobicContact CG2-CG 4.22Å; V273-L337 HydrophobicContact CG1-CD1 4.28Å; L288-L337 HydrophobicContact CB-CD2 4.39Å; L288-L337 HydrophobicContact CD1-CB 4.21Å; L288-L337 HydrophobicContact CD1-CD1 4.47Å; I289-L337 WeakPolarHBondContact O-CA 3.36Å; V290-L337 HydrophobicContact CB-CD2 4.14Å; V290-L337 HydrophobicContact CG2-CD2 3.42Å; V290-L337 VanDerWaalsContact CG2-CD2 3.42Å; I321-L337 HydrophobicContact CD1-CD1 3.46Å; I321-L337 VanDerWaalsContact CD1-CD1 3.46Å; L323-L337 HydrophobicContact CD1-CD1 3.81Å; L323-L337 HydrophobicContact CD1-CD2 3.94Å |
| 338 | C | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | L288 I289 I344 | L288-C338 CarbonylContact C-O 3.58Å; L288-C338 VanDerWaalsContact CA-O 3.31Å; L288-C338 WeakPolarHBondContact CA-O 3.27Å; I289-C338 WeakPolarHBondContact CG2-O 3.42Å; I289-C338 VanDerWaalsContact CG2-SG 3.52Å; I289-C338 PolarHBondContact N-O 3.24Å; I289-C338 PolarHBondContact O-N 3.3Å; C338-I344 PolarHBondContact SG-N 3.38Å; C338-I344 VanDerWaalsContact SG-N 3.43Å |
| 339 | P | 94 | Very high | 90.1 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 140.4 | 173.2 | -23.7 | 34.3 | 0 | 0 | 0 | 111.4 | L255 N341 S342 | L255-P339 HydrophobicContact CB-CG 3.83Å; L255-P339 WeakPolarHBondContact O-CD 3.31Å; P339-N341 PolarHBondContact O-N 3.06Å; P339-N341 VanDerWaalsContact O-N 3.13Å; P339-S342 CarbonylContact O-C 3.58Å; P339-S342 VanDerWaalsContact O-C 3.23Å; P339-S342 PolarHBondContact O-N 3.41Å |
| 340 | V | 92.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 30% | 0.303 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.9 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | K287 I289 T296 S342 | K287-V340 HydrophobicContact CB-CG2 4.42Å; K287-V340 HydrophobicContact CD-CG2 4.11Å; K287-V340 HydrophobicContact CG-CG2 3.84Å; I289-V340 HydrophobicContact CB-CG2 4.26Å; T296-V340 HydrophobicContact CG2-CG2 4.14Å; V340-S342 VanDerWaalsContact C-N 3.33Å |
| 341 | N | 92.8 | Very high | 90.3 | Very high | 162 Ų | 162 | 40.7 Ų | 40.7 | 87% | 0.866 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -7.9 | -179.1 | -60.1 | -13.1 | 0 | 0 | 0 | 113.6 | P339 | P339-N341 PolarHBondContact O-N 3.06Å; P339-N341 VanDerWaalsContact O-N 3.13Å |
| 342 | S | 91.7 | Very high | 90.2 | Very high | 40 Ų | 40 | 40.3 Ų | 40.3 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -144.7 | 64.8 | 178.3 | -171 | 0 | 0 | 0 | 0 | 110 | P254 R256 P339 V340 | P254-S342 WeakPolarHBondContact CB-OG 3.42Å; P254-S342 VanDerWaalsContact CG-OG 3.28Å; P254-S342 WeakPolarHBondContact CG-OG 3.21Å; R256-S342 PolarHBondContact NH1-O 3.07Å; P339-S342 CarbonylContact O-C 3.58Å; P339-S342 VanDerWaalsContact O-C 3.23Å; P339-S342 PolarHBondContact O-N 3.41Å; V340-S342 VanDerWaalsContact C-N 3.33Å |
| 343 | P | 91.1 | Very high | 90 | Very high | 73 Ų | 73 | 41 Ų | 41 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 143.9 | -179.4 | 29.3 | -34.2 | 0 | 0 | 0 | 110.6 | I289 | I289-P343 HydrophobicContact CG2-CB 4.34Š|
| 344 | I | 91.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 144.9 | 168.8 | -171.8 | 162.4 | 0 | 0 | 0 | 109.9 | I291 I336 C338 C413 E415 L423 | I291-I344 HydrophobicContact CB-CG2 3.8Å; I291-I344 HydrophobicContact CG1-CG2 3.82Å; I291-I344 HydrophobicContact CG2-CG2 3.97Å; I336-I344 HydrophobicContact CB-CG2 4.2Å; I336-I344 HydrophobicContact CD1-CD1 3.97Å; I336-I344 HydrophobicContact CG2-CG2 4.06Å; C338-I344 PolarHBondContact SG-N 3.38Å; C338-I344 VanDerWaalsContact SG-N 3.43Å; I344-C413 HydrophobicContact CD1-CB 3.94Å; I344-C413 HydrophobicContact CG1-CB 4.26Å; I344-C413 HydrophobicContact CG2-CB 4.2Å; I344-E415 HydrophobicContact CD1-CG 3.66Å; I344-E415 HydrophobicContact CG1-CG 4.29Å; I344-L423 HydrophobicContact CD1-CD1 3.94Å |
| 345 | A | 89.5 | Confident | 89.6 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -79.7 | 129.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V347 L443 | A345-V347 HydrophobicContact CB-CG1 4.37Å; A345-L443 HydrophobicContact CB-CD1 4.39Å |
| 346 | A | 90.4 | Very high | 89 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I291 P292 P411 M412 | I291-A346 HydrophobicContact CG2-CB 3.78Å; P292-A346 HydrophobicContact CB-CB 3.99Å; A346-P411 HydrophobicContact CB-CB 4.04Å; A346-M412 CarbonylContact C-O 3.52Å; A346-M412 WeakPolarHBondContact CA-O 3.41Å |
| 347 | V | 90.8 | Very high | 88 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.2 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | A345 R349 F350 M412 F414 L443 | A345-V347 HydrophobicContact CB-CG1 4.37Å; V347-R349 WeakPolarHBondContact CG2-O 3.25Å; V347-F350 HydrophobicContact CG2-CB 4.46Å; V347-M412 PolarHBondContact N-O 3.45Å; V347-M412 PolarHBondContact O-N 3.38Å; V347-F414 HydrophobicContact CG2-CD2 3.74Å; V347-F414 HydrophobicContact CG2-CE2 4.45Å; V347-L443 HydrophobicContact CG1-CB 4.39Å; V347-L443 HydrophobicContact CG2-CB 4.29Å; V347-L443 HydrophobicContact CG2-CD2 4.08Å |
| 348 | S | 88.5 | Confident | 86.5 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -12.6 | 170.6 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | T407 T408 | S348-T407 CarbonylContact O-C 3.56Å; S348-T407 WeakPolarHBondContact O-CA 3.42Å; S348-T408 WeakPolarHBondContact CA-OG1 3.49Å; S348-T408 PolarHBondContact O-N 3.5Å; S348-T408 PolarHBondContact O-OG1 2.94Å |
| 349 | R | 89.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 46.7 Ų | 46.7 | 50% | 0.502 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.8 | -178.5 | -62.1 | -174.2 | -171.2 | 172.6 | 5 | 110.7 | V347 I406 T407 K444 | V347-R349 WeakPolarHBondContact CG2-O 3.25Å; R349-I406 WeakPolarHBondContact CA-O 3.31Å; R349-T407 HydrophobicContact CG-CG2 4.06Å; R349-K444 HydrophobicContact CB-CB 3.99Å; R349-K444 PolarHBondContact O-N 3.43Å |
| 350 | F | 89.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156 | 176.6 | 58.8 | -87.7 | 0 | 0 | 0 | 110.6 | V347 A352 F373 E405 I406 T408 F414 V440 E442 L443 | V347-F350 HydrophobicContact CG2-CB 4.46Å; F350-A352 HydrophobicContact CD2-CB 4.26Å; F350-A352 HydrophobicContact CE2-CB 4.17Å; F350-F373 HydrophobicContact CE1-CE1 4.42Å; F350-F373 HydrophobicContact CE1-CZ 4.37Å; F350-F373 AromaticContact CZ-CE1 3.79Å; F350-F373 HydrophobicContact CZ-CE1 3.79Å; F350-F373 HydrophobicContact CZ-CZ 4.04Å; F350-E405 CarbonylContact O-C 3.53Å; F350-E405 WeakPolarHBondContact O-CA 3.12Å; F350-I406 HydrophobicContact CD2-CB 4.32Å; F350-I406 HydrophobicContact CE1-CB 4Å; F350-I406 HydrophobicContact CE1-CG2 3.89Å; F350-I406 HydrophobicContact CE2-CB 3.76Å; F350-I406 HydrophobicContact CE2-CD1 3.66Å; F350-I406 HydrophobicContact CE2-CG1 4.22Å; F350-I406 HydrophobicContact CE2-CG2 4.23Å; F350-I406 HydrophobicContact CZ-CB 3.57Å; F350-I406 HydrophobicContact CZ-CD1 3.97Å; F350-I406 HydrophobicContact CZ-CG1 4.37Å; F350-I406 HydrophobicContact CZ-CG2 3.54Å; F350-I406 PolarHBondContact N-O 3.37Å; F350-I406 VanDerWaalsContact N-O 3.1Å; F350-I406 PolarHBondContact O-N 3.33Å; F350-T408 HydrophobicContact CE1-CG2 3.84Å; F350-F414 AromaticContact CD1-CD2 3.68Å; F350-F414 HydrophobicContact CD1-CD2 3.68Å; F350-F414 AromaticContact CD1-CE2 3.35Å; F350-F414 HydrophobicContact CD1-CE2 3.35Å; F350-F414 AromaticContact CD1-CZ 4Å; F350-F414 HydrophobicContact CD1-CZ 4Å; F350-F414 AromaticContact CE1-CD2 3.99Å; F350-F414 HydrophobicContact CE1-CD2 3.99Å; F350-F414 HydrophobicContact CE1-CE1 4.25Å; F350-F414 AromaticContact CE1-CE2 3.23Å; F350-F414 HydrophobicContact CE1-CE2 3.23Å; F350-F414 AromaticContact CE1-CZ 3.4Å; F350-F414 HydrophobicContact CE1-CZ 3.4Å; F350-F414 VanDerWaalsContact CE1-CZ 3.4Å; F350-F414 HydrophobicContact CG-CD2 4.24Å; F350-F414 HydrophobicContact CG-CE2 4.28Å; F350-F414 HydrophobicContact CZ-CE1 4.32Å; F350-F414 HydrophobicContact CZ-CE2 4.08Å; F350-F414 AromaticContact CZ-CZ 3.85Å; F350-F414 HydrophobicContact CZ-CZ 3.85Å; F350-V440 HydrophobicContact CB-CG1 4.24Å; F350-V440 HydrophobicContact CD2-CG1 4.2Å; F350-V440 HydrophobicContact CD2-CG2 3.74Å; F350-V440 HydrophobicContact CE2-CG2 3.9Å; F350-E442 CarbonylContact C-O 3.53Å; F350-E442 WeakPolarHBondContact CA-O 3.16Å; F350-E442 WeakPolarHBondContact CB-O 3.41Å; F350-L443 HydrophobicContact CB-CD2 4.14Å |
| 351 | Q | 89.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.2 | 168.8 | -58.1 | -167.5 | 32.9 | 0 | 0 | 109.9 | V403 V404 V440 T441 E442 K444 | Q351-V403 HydrophobicContact CB-CG1 4.19Å; Q351-V404 CarbonylContact C-O 3.51Å; Q351-V404 WeakPolarHBondContact CA-O 3.24Å; Q351-V440 WeakPolarHBondContact O-CA 3.16Å; Q351-T441 PolarHBondContact O-N 2.97Å; Q351-T441 PolarHBondContact O-OG1 3.29Å; Q351-E442 HydrophobicContact CB-CB 4.07Å; Q351-E442 HydrophobicContact CG-CB 4.31Å; Q351-E442 PolarHBondContact N-O 3.46Å; Q351-E442 PolarHBondContact NE2-OE2 3.49Å; Q351-E442 PolarHBondContact O-N 3.29Å; Q351-K444 VanDerWaalsContact NE2-NZ 3.19Å |
| 352 | A | 87.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F350 I354 V403 V404 I406 V426 I439 | F350-A352 HydrophobicContact CD2-CB 4.26Å; F350-A352 HydrophobicContact CE2-CB 4.17Å; A352-I354 HydrophobicContact CB-CG2 4.13Å; A352-I354 PolarHBondContact O-N 3.13Å; A352-V403 WeakPolarHBondContact O-CA 3.46Å; A352-V404 PolarHBondContact N-O 3.08Å; A352-V404 PolarHBondContact O-N 3.45Å; A352-I406 HydrophobicContact CB-CD1 4.1Å; A352-V426 HydrophobicContact CB-CG1 3.97Å; A352-I439 CarbonylContact C-O 3.42Å; A352-I439 VanDerWaalsContact CA-O 3.24Å; A352-I439 WeakPolarHBondContact CA-O 3.44Å |
| 353 | K | 84 | Confident | 80.6 | Confident | 119 Ų | 119 | 48.7 Ų | 48.7 | 52% | 0.517 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 108.8 | 166.3 | -176.4 | -179.5 | 179.5 | -176.5 | 0 | 108 | G402 V403 G438 I439 T441 | K353-G402 CarbonylContact C-O 3.49Å; K353-G402 WeakPolarHBondContact CA-O 3.37Å; K353-V403 HydrophobicContact CB-CG2 4.41Å; K353-G438 CarbonylContact O-C 3.6Å; K353-G438 WeakPolarHBondContact O-CA 3.39Å; K353-I439 PolarHBondContact N-O 2.73Å; K353-I439 PolarHBondContact O-N 3.38Å; K353-T441 HydrophobicContact CB-CG2 3.94Å |
| 354 | I | 82.5 | Confident | 80 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 152 | -179.1 | 66.6 | 166.8 | 0 | 0 | 0 | 111.8 | A352 T356 L363 L396 S401 G402 V404 L428 A436 A437 | A352-I354 HydrophobicContact CB-CG2 4.13Å; A352-I354 PolarHBondContact O-N 3.13Å; I354-T356 HydrophobicContact CD1-CG2 4.48Å; I354-L363 HydrophobicContact CD1-CD1 3.68Å; I354-L396 HydrophobicContact CD1-CD1 3.71Å; I354-L396 HydrophobicContact CG1-CD1 4.09Å; I354-S401 CarbonylContact O-C 3.36Å; I354-S401 VanDerWaalsContact O-CA 3.23Å; I354-S401 WeakPolarHBondContact O-CA 3.38Å; I354-S401 WeakPolarHBondContact O-CB 3.45Å; I354-G402 PolarHBondContact N-O 3.37Å; I354-G402 PolarHBondContact O-N 2.95Å; I354-V404 HydrophobicContact CB-CG2 4.47Å; I354-V404 HydrophobicContact CD1-CB 4.32Å; I354-V404 HydrophobicContact CD1-CG1 3.57Å; I354-V404 HydrophobicContact CD1-CG2 3.75Å; I354-V404 HydrophobicContact CG1-CG1 3.81Å; I354-V404 HydrophobicContact CG1-CG2 3.9Å; I354-V404 HydrophobicContact CG2-CG2 3.77Å; I354-L428 HydrophobicContact CD1-CD1 4.15Å; I354-L428 HydrophobicContact CG2-CD1 4.44Å; I354-A436 HydrophobicContact CB-CB 4.35Å; I354-A436 HydrophobicContact CD1-CB 4.08Å; I354-A437 CarbonylContact C-O 3.55Å; I354-A437 VanDerWaalsContact CA-O 3.26Å; I354-A437 WeakPolarHBondContact CA-O 3.28Å |
| 355 | V | 75.4 | Confident | 79.4 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.7 | 166.6 | -179.4 | 0 | 0 | 0 | 0 | 106.3 | F357 A436 A437 | V355-F357 HydrophobicContact CB-CE1 4.25Å; V355-F357 HydrophobicContact CG1-CD1 4.34Å; V355-F357 HydrophobicContact CG1-CE1 3.94Å; V355-A436 CarbonylContact O-C 3.5Å; V355-A436 WeakPolarHBondContact O-CA 3.12Å; V355-A436 VanDerWaalsContact O-CB 3.27Å; V355-A436 WeakPolarHBondContact O-CB 3.45Å; V355-A437 PolarHBondContact N-O 2.97Å; V355-A437 PolarHBondContact O-N 2.99Å |
| 356 | T | 76.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.6 | 173.4 | 56 | 0 | 0 | 0 | 0 | 109.7 | I354 L363 L396 A397 N399 S400 I435 A436 | I354-T356 HydrophobicContact CD1-CG2 4.48Å; T356-L363 HydrophobicContact CG2-CD1 3.53Å; T356-L363 HydrophobicContact CG2-CG 4.03Å; T356-L396 HydrophobicContact CG2-CB 3.83Å; T356-L396 HydrophobicContact CG2-CD1 4.19Å; T356-A397 PolarHBondContact OG1-O 2.87Å; T356-N399 VanDerWaalsContact O-CA 3.23Å; T356-N399 WeakPolarHBondContact O-CA 3.26Å; T356-N399 PolarHBondContact O-N 3.41Å; T356-N399 PolarHBondContact OG1-N 3.45Å; T356-S400 PolarHBondContact N-O 2.83Å; T356-S400 PolarHBondContact OG1-N 3.37Å; T356-S400 PolarHBondContact OG1-O 3.26Å; T356-S400 PolarHBondContact OG1-OG 3.39Å; T356-I435 CarbonylContact C-O 3.45Å; T356-I435 WeakPolarHBondContact CA-O 3.43Å; T356-A436 HydrophobicContact CG2-CB 4.26Å |
| 357 | F | 70.9 | Confident | 78.3 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | trans | -100.4 | -171.9 | 174.7 | -53.3 | -46.7 | 0 | 0 | 0 | 109.3 | L158 S162 V355 P359 T434 I435 A436 A437 | L158-F357 HydrophobicContact CD1-CD1 3.64Å; L158-F357 HydrophobicContact CD1-CE1 3.33Å; L158-F357 HydrophobicContact CD1-CE2 4.46Å; L158-F357 HydrophobicContact CD1-CG 4.34Å; L158-F357 HydrophobicContact CD1-CZ 3.8Å; L158-F357 HydrophobicContact CD2-CB 3.59Å; L158-F357 HydrophobicContact CD2-CD1 3.31Å; L158-F357 HydrophobicContact CD2-CD2 3.49Å; L158-F357 VanDerWaalsContact CD2-CD2 3.49Å; L158-F357 HydrophobicContact CD2-CE1 3.79Å; L158-F357 HydrophobicContact CD2-CE2 3.93Å; L158-F357 HydrophobicContact CD2-CG 3.15Å; L158-F357 HydrophobicContact CD2-CZ 4.07Å; L158-F357 HydrophobicContact CG-CD1 3.68Å; L158-F357 HydrophobicContact CG-CD2 3.92Å; L158-F357 HydrophobicContact CG-CE1 3.56Å; L158-F357 HydrophobicContact CG-CE2 3.8Å; L158-F357 HydrophobicContact CG-CG 3.86Å; L158-F357 HydrophobicContact CG-CZ 3.62Å; S162-F357 VanDerWaalsContact OG-CZ 3.31Å; S162-F357 WeakPolarHBondContact OG-CZ 3.38Å; V355-F357 HydrophobicContact CB-CE1 4.25Å; V355-F357 HydrophobicContact CG1-CD1 4.34Å; V355-F357 HydrophobicContact CG1-CE1 3.94Å; F357-P359 WeakPolarHBondContact O-CD 3.18Å; F357-T434 HydrophobicContact CD2-CG2 3.94Å; F357-T434 HydrophobicContact CE2-CG2 4.07Å; F357-I435 PolarHBondContact N-O 3.07Å; F357-A436 VanDerWaalsContact CE2-C 3.48Å; F357-A437 HydrophobicContact CE2-CB 3.76Å; F357-A437 HydrophobicContact CZ-CB 3.82Å | ||
| 358 | N | 63.8 | Low | 78 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | trans | -97.3 | 86.6 | 176.8 | -164.8 | 29.5 | 0 | 0 | 0 | 110.8 | ||||
| 359 | P | 59.7 | Low | 77.5 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -96 | 157.3 | 137.5 | 11.9 | 4.7 | 0 | 0 | 0 | 109.2 | F357 M361 C433 I435 | F357-P359 WeakPolarHBondContact O-CD 3.18Å; P359-M361 PolarHBondContact O-N 3.39Å; P359-C433 HydrophobicContact CB-CB 4.32Å; P359-I435 HydrophobicContact CB-CG2 4.34Å; P359-I435 HydrophobicContact CG-CB 3.68Å; P359-I435 HydrophobicContact CG-CG2 3.45Å; P359-I435 VanDerWaalsContact CG-CG2 3.45Å |
| 360 | N | 59.1 | Low | 77.1 | Confident | 165 Ų | 165 | 50.6 Ų | 50.6 | 88% | 0.882 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -61.4 | 13 | -175.6 | -66.1 | -25.4 | 0 | 0 | 0 | 115.8 | ||
| 361 | M | 69.2 | Low | 76.5 | Confident | 110 Ų | 110 | 50.6 Ų | 50.6 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -134 | 127.1 | -171.6 | -163.6 | 73.5 | 72.3 | 0 | 0 | 111.6 | P359 | P359-M361 PolarHBondContact O-N 3.39Š|
| 362 | P | 75.6 | Confident | 75.8 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | trans | -67.7 | 148.1 | 168.5 | 30.7 | -34.3 | 0 | 0 | 0 | 110.3 | V364 C395 L396 | P362-V364 HydrophobicContact CG-CG2 4.47Å; P362-V364 PolarHBondContact O-N 3.44Å; P362-C395 HydrophobicContact CB-CB 4.16Å; P362-L396 CarbonylContact C-O 3.58Å; P362-L396 VanDerWaalsContact CA-O 3.26Å; P362-L396 WeakPolarHBondContact CA-O 3.47Å; P362-L396 WeakPolarHBondContact CB-O 3.27Å | ||
| 363 | L | 77.4 | Confident | 75.2 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.1 | 170 | -57.7 | 179.6 | 0 | 0 | 0 | 108.4 | I354 T356 Y383 F385 C395 L396 I435 A436 | I354-L363 HydrophobicContact CD1-CD1 3.68Å; T356-L363 HydrophobicContact CG2-CD1 3.53Å; T356-L363 HydrophobicContact CG2-CG 4.03Å; L363-Y383 WeakPolarHBondContact CA-OH 3.42Å; L363-Y383 HydrophobicContact CB-CE2 4.34Å; L363-F385 VanDerWaalsContact C-CZ 3.43Å; L363-F385 HydrophobicContact CB-CE1 4.13Å; L363-F385 HydrophobicContact CB-CZ 3.6Å; L363-F385 WeakPolarHBondContact O-CE2 3.47Å; L363-F385 VanDerWaalsContact O-CZ 3.22Å; L363-F385 WeakPolarHBondContact O-CZ 3.31Å; L363-C395 CarbonylContact O-C 3.5Å; L363-C395 WeakPolarHBondContact O-CA 3.38Å; L363-C395 WeakPolarHBondContact O-CB 3.47Å; L363-L396 HydrophobicContact CB-CB 4.21Å; L363-L396 HydrophobicContact CD1-CD1 4.28Å; L363-L396 PolarHBondContact N-O 3.32Å; L363-L396 PolarHBondContact O-N 2.92Å; L363-I435 HydrophobicContact CD2-CB 4.28Å; L363-I435 HydrophobicContact CD2-CD1 3.41Å; L363-I435 VanDerWaalsContact CD2-CD1 3.41Å; L363-I435 HydrophobicContact CD2-CG1 3.79Å; L363-A436 HydrophobicContact CD1-CB 4.27Å |
| 364 | V | 78.3 | Confident | 74.2 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.2 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | P362 G366 M367 Y383 C395 | P362-V364 HydrophobicContact CG-CG2 4.47Å; P362-V364 PolarHBondContact O-N 3.44Å; V364-G366 PolarHBondContact O-N 3.39Å; V364-M367 WeakPolarHBondContact O-CB 3.44Å; V364-M367 PolarHBondContact O-N 2.89Å; V364-M367 VanDerWaalsContact O-N 3.11Å; V364-Y383 VanDerWaalsContact C-CE2 3.46Å; V364-Y383 PolarHBondContact N-OH 2.77Å; V364-Y383 WeakPolarHBondContact O-CE2 3.22Å; V364-Y383 PolarHBondContact O-OH 2.83Å; V364-C395 HydrophobicContact CG2-CB 4.27Å |
| 365 | K | 79.9 | Confident | 73.2 | Confident | 136 Ų | 136 | 47.2 Ų | 47.2 | 59% | 0.591 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 130.1 | -172.3 | -170.1 | -173.3 | 177.9 | -169.4 | 0 | 111.3 | F385 | K365-F385 HydrophobicContact CB-CD2 3.65Å; K365-F385 HydrophobicContact CB-CE2 4.13Å; K365-F385 HydrophobicContact CG-CD2 4.28Å |
| 366 | G | 78.1 | Confident | 72.1 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 0.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V364 Y383 | V364-G366 PolarHBondContact O-N 3.39Å; G366-Y383 WeakPolarHBondContact CA-O 3.26Å; G366-Y383 PolarHBondContact N-O 2.92Å |
| 367 | M | 78.9 | Confident | 71 | Confident | 36 Ų | 36 | 47 Ų | 47 | 18% | 0.177 | 26% | 0.256 | C | S | . | . | trans | -67.3 | 145.4 | 174.2 | 150.1 | -166.2 | -168.1 | 0 | 0 | 110.8 | V364 V369 Y383 F430 | V364-M367 WeakPolarHBondContact O-CB 3.44Å; V364-M367 PolarHBondContact O-N 2.89Å; V364-M367 VanDerWaalsContact O-N 3.11Å; M367-V369 HydrophobicContact CE-CG1 4.24Å; M367-V369 HydrophobicContact CG-CG1 4.19Å; M367-Y383 HydrophobicContact CB-CE1 3.73Å; M367-Y383 WeakPolarHBondContact CB-OH 3.46Å; M367-Y383 HydrophobicContact CG-CE1 3.78Å; M367-Y383 WeakPolarHBondContact CG-OH 3.49Å; M367-Y383 WeakPolarHBondContact O-CD1 3.43Å; M367-Y383 WeakPolarHBondContact O-CE1 3.36Å; M367-Y383 HydrophobicContact SD-CE1 4.33Å; M367-Y383 PolarHBondContact SD-OH 3.25Å; M367-F430 HydrophobicContact CE-CB 3.93Å; M367-F430 HydrophobicContact CE-CD1 3.3Å; M367-F430 HydrophobicContact CE-CD2 3.32Å; M367-F430 HydrophobicContact CE-CE1 3.45Å; M367-F430 VanDerWaalsContact CE-CE1 3.45Å; M367-F430 HydrophobicContact CE-CE2 3.48Å; M367-F430 VanDerWaalsContact CE-CE2 3.48Å; M367-F430 HydrophobicContact CE-CG 3.22Å; M367-F430 HydrophobicContact CE-CZ 3.54Å; M367-F430 HydrophobicContact CG-CE2 4.48Å | ||
| 368 | E | 83.1 | Confident | 70.4 | Confident | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129.8 | -179.8 | -167.6 | -172.9 | 161.3 | 0 | 0 | 109.6 | H380 Y382 F430 | E368-H380 IonicContact OE1-CE1 3.65Å; E368-H380 IonicContact OE1-CG 3.61Å; E368-H380 IonicContact OE1-ND1 2.72Å; E368-H380 PolarHBondContact OE1-ND1 2.98Å; E368-Y382 HydrophobicContact CB-CD1 4.4Å; E368-Y382 HydrophobicContact CB-CE1 4.18Å; E368-Y382 HydrophobicContact CG-CD1 4.44Å; E368-Y382 HydrophobicContact CG-CE1 4.04Å; E368-F430 WeakPolarHBondContact O-CD2 3.4Å; E368-F430 WeakPolarHBondContact O-CE2 3.05Å |
| 369 | V | 79.6 | Confident | 70 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.2 | -179.1 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | M367 C381 Y383 L428 F430 I435 | M367-V369 HydrophobicContact CE-CG1 4.24Å; M367-V369 HydrophobicContact CG-CG1 4.19Å; V369-C381 PolarHBondContact N-O 3.29Å; V369-C381 PolarHBondContact O-N 3.37Å; V369-Y383 HydrophobicContact CG1-CD1 4.24Å; V369-Y383 HydrophobicContact CG1-CE1 3.7Å; V369-Y383 HydrophobicContact CG2-CD1 3.85Å; V369-Y383 HydrophobicContact CG2-CE1 4.18Å; V369-L428 HydrophobicContact CG2-CD2 4.21Å; V369-F430 HydrophobicContact CG1-CB 4.42Å; V369-F430 HydrophobicContact CG1-CD2 4.4Å; V369-I435 HydrophobicContact CB-CD1 4.19Å; V369-I435 HydrophobicContact CG1-CD1 3.47Å; V369-I435 VanDerWaalsContact CG1-CD1 3.47Å |
| 370 | C | 80.3 | Confident | 69.9 | Low | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.4 | 170.1 | -173.6 | 0 | 0 | 0 | 0 | 108 | H372 R429 | C370-H372 PolarHBondContact SG-NE2 3.39Å; C370-H372 VanDerWaalsContact SG-NE2 3.44Å; C370-R429 PolarHBondContact N-O 3.37Å; C370-R429 PolarHBondContact O-N 2.85Å |
| 371 | A | 78 | Confident | 69.9 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | F373 Q379 C381 V426 T427 L428 | A371-F373 HydrophobicContact CB-CE1 3.89Å; A371-F373 HydrophobicContact CB-CE2 3.76Å; A371-F373 HydrophobicContact CB-CZ 3.35Å; A371-Q379 PolarHBondContact N-O 3.34Å; A371-C381 HydrophobicContact CB-CB 4.22Å; A371-C381 WeakPolarHBondContact CB-SG 3.5Å; A371-V426 HydrophobicContact CB-CG2 4.23Å; A371-T427 CarbonylContact C-O 3.58Å; A371-T427 WeakPolarHBondContact CA-O 3.32Å; A371-L428 HydrophobicContact CB-CD2 3.82Å |
| 372 | H | 74.6 | Confident | 69.4 | Low | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129 | 169.5 | -68.2 | -100.2 | 0 | 0 | 0 | 108 | I123 C370 T427 | I123-H372 HydrophobicContact CD1-CB 4.5Å; I123-H372 HydrophobicContact CG2-CB 4.24Å; C370-H372 PolarHBondContact SG-NE2 3.39Å; C370-H372 VanDerWaalsContact SG-NE2 3.44Å; H372-T427 PolarHBondContact N-O 3.37Å; H372-T427 PolarHBondContact O-N 2.87Å |
| 373 | F | 74.1 | Confident | 68.7 | Low | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | trans | -108.9 | -179.8 | 178.3 | -54.9 | -65.1 | 0 | 0 | 0 | 109.4 | F350 A371 Y375 Q379 T408 M412 F414 V426 | F350-F373 HydrophobicContact CE1-CE1 4.42Å; F350-F373 HydrophobicContact CE1-CZ 4.37Å; F350-F373 AromaticContact CZ-CE1 3.79Å; F350-F373 HydrophobicContact CZ-CE1 3.79Å; F350-F373 HydrophobicContact CZ-CZ 4.04Å; A371-F373 HydrophobicContact CB-CE1 3.89Å; A371-F373 HydrophobicContact CB-CE2 3.76Å; A371-F373 HydrophobicContact CB-CZ 3.35Å; F373-Y375 CarbonylContact C-O 3.55Å; F373-Y375 CarbonylContact O-C 3.53Å; F373-Y375 PolarHBondContact O-N 3.04Å; F373-Q379 HydrophobicContact CE2-CB 4.42Å; F373-T408 HydrophobicContact CE2-CG2 4.29Å; F373-T408 HydrophobicContact CZ-CG2 3.97Å; F373-M412 HydrophobicContact CD2-CE 3.83Å; F373-M412 HydrophobicContact CE2-CE 4.3Å; F373-M412 HydrophobicContact CE2-CG 4.46Å; F373-F414 HydrophobicContact CD1-CD1 4.36Å; F373-F414 AromaticContact CD1-CE1 3.29Å; F373-F414 HydrophobicContact CD1-CE1 3.29Å; F373-F414 AromaticContact CD1-CZ 3.88Å; F373-F414 HydrophobicContact CD1-CZ 3.88Å; F373-F414 HydrophobicContact CD2-CE1 4.28Å; F373-F414 HydrophobicContact CD2-CZ 4.33Å; F373-F414 HydrophobicContact CE1-CD1 4.48Å; F373-F414 AromaticContact CE1-CE1 3.29Å; F373-F414 HydrophobicContact CE1-CE1 3.29Å; F373-F414 AromaticContact CE1-CZ 3.43Å; F373-F414 HydrophobicContact CE1-CZ 3.43Å; F373-F414 VanDerWaalsContact CE1-CZ 3.43Å; F373-F414 HydrophobicContact CE2-CE1 4.31Å; F373-F414 AromaticContact CE2-CZ 3.97Å; F373-F414 HydrophobicContact CE2-CZ 3.97Å; F373-F414 AromaticContact CG-CE1 3.77Å; F373-F414 HydrophobicContact CG-CE1 3.77Å; F373-F414 HydrophobicContact CG-CZ 4.26Å; F373-F414 AromaticContact CZ-CE1 3.84Å; F373-F414 HydrophobicContact CZ-CE1 3.84Å; F373-F414 AromaticContact CZ-CZ 3.49Å; F373-F414 HydrophobicContact CZ-CZ 3.49Å; F373-F414 VanDerWaalsContact CZ-CZ 3.49Å; F373-V426 HydrophobicContact CD1-CB 4.12Å; F373-V426 HydrophobicContact CD1-CG2 3.84Å; F373-V426 HydrophobicContact CE1-CB 4.06Å; F373-V426 HydrophobicContact CE1-CG2 3.46Å; F373-V426 VanDerWaalsContact CE1-CG2 3.46Å; F373-V426 HydrophobicContact CZ-CG2 4.42Å | ||
| 374 | F | 63.3 | Low | 67.6 | Low | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -48.7 | -24.2 | -175.3 | -176.8 | -98.2 | 0 | 0 | 0 | 114.5 | S127 T258 V278 E422 L423 | S127-F374 WeakPolarHBondContact CB-O 3.36Å; S127-F374 WeakPolarHBondContact O-CE2 3.41Å; S127-F374 WeakPolarHBondContact O-CZ 3.34Å; S127-F374 PolarHBondContact OG-O 2.61Å; T258-F374 HydrophobicContact CG2-CD1 3.85Å; T258-F374 HydrophobicContact CG2-CE1 3.94Å; V278-F374 HydrophobicContact CG1-CE1 4.41Å; V278-F374 HydrophobicContact CG1-CZ 4.25Å; V278-F374 HydrophobicContact CG2-CD1 4.33Å; V278-F374 HydrophobicContact CG2-CE1 3.52Å; V278-F374 HydrophobicContact CG2-CZ 3.98Å; F374-E422 HydrophobicContact CD2-CB 3.76Å; F374-E422 WeakPolarHBondContact CD2-O 3.39Å; F374-E422 HydrophobicContact CE2-CB 3.46Å; F374-E422 VanDerWaalsContact CE2-CB 3.46Å; F374-E422 HydrophobicContact CE2-CG 3.87Å; F374-E422 HydrophobicContact CZ-CB 4.05Å; F374-E422 HydrophobicContact CZ-CG 4.37Å; F374-L423 HydrophobicContact CB-CD2 4.26Å; F374-L423 HydrophobicContact CD1-CD2 4.08Å; F374-L423 HydrophobicContact CG-CD2 4.26Å |
| 375 | Y | 61.4 | Low | 66.6 | Low | 30 Ų | 30 | 44 Ų | 44 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -118.3 | 148.7 | 168.6 | -146.6 | -101.7 | 0 | 0 | 0 | 110 | S260 A333 F373 I377 | S260-Y375 WeakPolarHBondContact CA-OH 3.49Å; S260-Y375 WeakPolarHBondContact CB-OH 3.41Å; A333-Y375 HydrophobicContact CB-CE1 4.13Å; F373-Y375 CarbonylContact C-O 3.55Å; F373-Y375 CarbonylContact O-C 3.53Å; F373-Y375 PolarHBondContact O-N 3.04Å; Y375-I377 PolarHBondContact O-N 3.21Å |
| 376 | P | 52 | Low | 65.3 | Low | 38 Ų | 38 | 39.8 Ų | 39.8 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | trans | -66.5 | 35.6 | -176.5 | 32.4 | -45.4 | 0 | 0 | 0 | 115.7 | M124 R378 | M124-P376 HydrophobicContact CB-CB 4.03Å; M124-P376 HydrophobicContact CB-CG 3.86Å; M124-P376 HydrophobicContact CG-CB 4.42Å; M124-P376 HydrophobicContact CG-CG 3.71Å; M124-P376 HydrophobicContact SD-CB 4.49Å; M124-P376 HydrophobicContact SD-CG 3.59Å; M124-P376 VanDerWaalsContact SD-CG 3.59Å; P376-R378 PolarHBondContact O-N 3.2Å | ||
| 377 | I | 54.8 | Low | 64.1 | Low | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.138 | 19% | 0.188 | C | C | . | . | trans | -66.8 | 110.4 | 158.3 | -55.7 | 179.5 | 0 | 0 | 0 | 106.9 | A333 Y375 Q379 M412 | A333-I377 WeakPolarHBondContact O-CD1 3.36Å; A333-I377 WeakPolarHBondContact O-CG1 3.38Å; Y375-I377 PolarHBondContact O-N 3.21Å; I377-Q379 HydrophobicContact CG2-CG 3.75Å; I377-Q379 VanDerWaalsContact CG2-NE2 3.25Å; I377-M412 HydrophobicContact CB-CE 3.9Å; I377-M412 HydrophobicContact CD1-CE 3.72Å; I377-M412 HydrophobicContact CD1-SD 4.49Å; I377-M412 HydrophobicContact CG1-CE 4.4Å; I377-M412 HydrophobicContact CG2-CE 3.85Å; I377-M412 HydrophobicContact CG2-SD 4.36Å | ||
| 378 | R | 57.1 | Low | 62.6 | Low | 145 Ų | 145 | 43.7 Ų | 43.7 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.6 | 164.5 | -60.3 | -173 | -166.3 | 175.8 | 8.7 | 107.6 | P376 | P376-R378 PolarHBondContact O-N 3.2Å |
| 379 | Q | 55.5 | Low | 60.9 | Low | 25 Ų | 25 | 49.4 Ų | 49.4 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.7 | 168.6 | -70.4 | -61.5 | -48.5 | 0 | 0 | 109.7 | A371 F373 I377 C381 M412 | A371-Q379 PolarHBondContact N-O 3.34Å; F373-Q379 HydrophobicContact CE2-CB 4.42Å; I377-Q379 HydrophobicContact CG2-CG 3.75Å; I377-Q379 VanDerWaalsContact CG2-NE2 3.25Å; Q379-C381 PolarHBondContact O-N 3.35Å; Q379-C381 PolarHBondContact O-SG 2.97Å; Q379-M412 HydrophobicContact CG-CE 4.18Å; Q379-M412 HydrophobicContact CG-CG 4.28Å; Q379-M412 HydrophobicContact CG-SD 3.79Å |
| 380 | H | 57.9 | Low | 59.3 | Low | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.1 | 164.3 | -74 | -98.7 | 0 | 0 | 0 | 108 | E368 E409 | E368-H380 IonicContact OE1-CE1 3.65Å; E368-H380 IonicContact OE1-CG 3.61Å; E368-H380 IonicContact OE1-ND1 2.72Å; E368-H380 PolarHBondContact OE1-ND1 2.98Å; H380-E409 PolarHBondContact O-N 3.35Å |
| 381 | C | 60 | Low | 58 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.6 | -176.5 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | V369 A371 Q379 I406 T407 | V369-C381 PolarHBondContact N-O 3.29Å; V369-C381 PolarHBondContact O-N 3.37Å; A371-C381 HydrophobicContact CB-CB 4.22Å; A371-C381 WeakPolarHBondContact CB-SG 3.5Å; Q379-C381 PolarHBondContact O-N 3.35Å; Q379-C381 PolarHBondContact O-SG 2.97Å; C381-I406 HydrophobicContact CB-CG2 4.07Å; C381-T407 WeakPolarHBondContact CA-O 3.37Å |
| 382 | Y | 58.3 | Low | 57 | Low | 116 Ų | 116 | 74 Ų | 74 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 142.9 | 168.2 | -58.8 | -86.8 | 0 | 0 | 0 | 107.7 | E368 T407 | E368-Y382 HydrophobicContact CB-CD1 4.4Å; E368-Y382 HydrophobicContact CB-CE1 4.18Å; E368-Y382 HydrophobicContact CG-CD1 4.44Å; E368-Y382 HydrophobicContact CG-CE1 4.04Å; Y382-T407 PolarHBondContact N-O 3.49Å; Y382-T407 CarbonylContact O-C 3.48Å; Y382-T407 WeakPolarHBondContact O-CA 3.34Å; Y382-T407 PolarHBondContact O-N 2.96Å |
| 383 | Y | 61.2 | Low | 56.4 | Low | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.6 | 174.9 | 58.8 | -93.3 | 0 | 0 | 0 | 111.8 | L363 V364 G366 M367 V369 F385 E405 | L363-Y383 WeakPolarHBondContact CA-OH 3.42Å; L363-Y383 HydrophobicContact CB-CE2 4.34Å; V364-Y383 VanDerWaalsContact C-CE2 3.46Å; V364-Y383 PolarHBondContact N-OH 2.77Å; V364-Y383 WeakPolarHBondContact O-CE2 3.22Å; V364-Y383 PolarHBondContact O-OH 2.83Å; G366-Y383 WeakPolarHBondContact CA-O 3.26Å; G366-Y383 PolarHBondContact N-O 2.92Å; M367-Y383 HydrophobicContact CB-CE1 3.73Å; M367-Y383 WeakPolarHBondContact CB-OH 3.46Å; M367-Y383 HydrophobicContact CG-CE1 3.78Å; M367-Y383 WeakPolarHBondContact CG-OH 3.49Å; M367-Y383 WeakPolarHBondContact O-CD1 3.43Å; M367-Y383 WeakPolarHBondContact O-CE1 3.36Å; M367-Y383 HydrophobicContact SD-CE1 4.33Å; M367-Y383 PolarHBondContact SD-OH 3.25Å; V369-Y383 HydrophobicContact CG1-CD1 4.24Å; V369-Y383 HydrophobicContact CG1-CE1 3.7Å; V369-Y383 HydrophobicContact CG2-CD1 3.85Å; V369-Y383 HydrophobicContact CG2-CE1 4.18Å; Y383-F385 HydrophobicContact CD2-CD1 4.09Å; Y383-F385 AromaticContact CD2-CE1 3.69Å; Y383-F385 HydrophobicContact CD2-CE1 3.69Å; Y383-F385 HydrophobicContact CD2-CE2 4.32Å; Y383-F385 AromaticContact CD2-CZ 3.83Å; Y383-F385 HydrophobicContact CD2-CZ 3.83Å; Y383-F385 HydrophobicContact CE2-CD1 4.37Å; Y383-F385 HydrophobicContact CE2-CD2 4.49Å; Y383-F385 AromaticContact CE2-CE1 3.62Å; Y383-F385 HydrophobicContact CE2-CE1 3.62Å; Y383-F385 AromaticContact CE2-CE2 3.78Å; Y383-F385 HydrophobicContact CE2-CE2 3.78Å; Y383-F385 AromaticContact CE2-CZ 3.28Å; Y383-F385 HydrophobicContact CE2-CZ 3.28Å; Y383-E405 WeakPolarHBondContact CA-O 3.31Å |
| 384 | T | 53.4 | Low | 56.2 | Low | 51 Ų | 51 | 86 Ų | 86 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | 168.6 | -60.9 | 0 | 0 | 0 | 0 | 107.2 | V386 E405 | T384-V386 PolarHBondContact O-N 3.43Å; T384-E405 CarbonylContact C-O 3.47Å; T384-E405 PolarHBondContact N-O 3.34Å; T384-E405 CarbonylContact O-C 3.59Å; T384-E405 WeakPolarHBondContact O-CA 3.48Å; T384-E405 VanDerWaalsContact O-CB 3.27Å; T384-E405 WeakPolarHBondContact O-CB 3.47Å; T384-E405 PolarHBondContact O-N 3.2Å |
| 385 | F | 56.9 | Low | 56.7 | Low | 20 Ų | 20 | 87.8 Ų | 87.8 | 9% | 0.088 | 41% | 0.411 | C | S | . | . | trans | -67.7 | 128.1 | 177 | -67.1 | -51 | 0 | 0 | 0 | 111.8 | L363 K365 Y383 F387 L396 V404 | L363-F385 VanDerWaalsContact C-CZ 3.43Å; L363-F385 HydrophobicContact CB-CE1 4.13Å; L363-F385 HydrophobicContact CB-CZ 3.6Å; L363-F385 WeakPolarHBondContact O-CE2 3.47Å; L363-F385 VanDerWaalsContact O-CZ 3.22Å; L363-F385 WeakPolarHBondContact O-CZ 3.31Å; K365-F385 HydrophobicContact CB-CD2 3.65Å; K365-F385 HydrophobicContact CB-CE2 4.13Å; K365-F385 HydrophobicContact CG-CD2 4.28Å; Y383-F385 HydrophobicContact CD2-CD1 4.09Å; Y383-F385 AromaticContact CD2-CE1 3.69Å; Y383-F385 HydrophobicContact CD2-CE1 3.69Å; Y383-F385 HydrophobicContact CD2-CE2 4.32Å; Y383-F385 AromaticContact CD2-CZ 3.83Å; Y383-F385 HydrophobicContact CD2-CZ 3.83Å; Y383-F385 HydrophobicContact CE2-CD1 4.37Å; Y383-F385 HydrophobicContact CE2-CD2 4.49Å; Y383-F385 AromaticContact CE2-CE1 3.62Å; Y383-F385 HydrophobicContact CE2-CE1 3.62Å; Y383-F385 AromaticContact CE2-CE2 3.78Å; Y383-F385 HydrophobicContact CE2-CE2 3.78Å; Y383-F385 AromaticContact CE2-CZ 3.28Å; Y383-F385 HydrophobicContact CE2-CZ 3.28Å; F385-F387 HydrophobicContact CB-CD2 4.01Å; F385-F387 HydrophobicContact CB-CE2 3.51Å; F385-F387 HydrophobicContact CB-CZ 4.32Å; F385-F387 HydrophobicContact CD1-CE2 4.37Å; F385-F387 HydrophobicContact CD1-CZ 4.38Å; F385-F387 HydrophobicContact CD2-CE2 4.27Å; F385-F387 AromaticContact CG-CE2 3.85Å; F385-F387 HydrophobicContact CG-CE2 3.85Å; F385-F387 HydrophobicContact CG-CZ 4.25Å; F385-L396 HydrophobicContact CD1-CD1 4.38Å; F385-L396 HydrophobicContact CE1-CD1 3.79Å; F385-L396 HydrophobicContact CE1-CG 4.14Å; F385-L396 HydrophobicContact CZ-CD1 4.5Å; F385-L396 HydrophobicContact CZ-CG 4.47Å; F385-V404 HydrophobicContact CD1-CB 4.26Å; F385-V404 HydrophobicContact CD1-CG1 3.57Å; F385-V404 HydrophobicContact CE1-CG1 3.81Å | ||
| 386 | V | 51.9 | Low | 57.4 | Low | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | trans | -127.8 | 96.2 | 169.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | T384 L388 V403 E405 | T384-V386 PolarHBondContact O-N 3.43Å; V386-L388 PolarHBondContact O-N 3.34Å; V386-V403 CarbonylContact C-O 3.49Å; V386-V403 CarbonylContact O-C 3.33Å; V386-E405 HydrophobicContact CB-CB 4.27Å; V386-E405 HydrophobicContact CG2-CB 3.64Å | ||
| 387 | F | 54.6 | Low | 58.5 | Low | 49 Ų | 49 | 87.5 Ų | 87.5 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | trans | -82.2 | 106.8 | -179.1 | -71.1 | -87.4 | 0 | 0 | 0 | 111.4 | F385 K389 S393 L396 | F385-F387 HydrophobicContact CB-CD2 4.01Å; F385-F387 HydrophobicContact CB-CE2 3.51Å; F385-F387 HydrophobicContact CB-CZ 4.32Å; F385-F387 HydrophobicContact CD1-CE2 4.37Å; F385-F387 HydrophobicContact CD1-CZ 4.38Å; F385-F387 HydrophobicContact CD2-CE2 4.27Å; F385-F387 AromaticContact CG-CE2 3.85Å; F385-F387 HydrophobicContact CG-CE2 3.85Å; F385-F387 HydrophobicContact CG-CZ 4.25Å; F387-K389 VanDerWaalsContact C-N 3.3Å; F387-K389 PolarHBondContact O-N 2.56Å; F387-S393 WeakPolarHBondContact CE2-O 3.2Å; F387-L396 HydrophobicContact CE1-CD2 3.52Å; F387-L396 HydrophobicContact CE1-CG 4.07Å; F387-L396 HydrophobicContact CZ-CD2 3.9Å; F387-L396 HydrophobicContact CZ-CG 3.95Å | ||
| 388 | L | 47 | Very low | 59.4 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 60% | 0.597 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -77.9 | 77.7 | 164.3 | -73.1 | 169 | 0 | 0 | 0 | 109.9 | V386 V403 | V386-L388 PolarHBondContact O-N 3.34Å; L388-V403 HydrophobicContact CB-CB 4.49Å; L388-V403 HydrophobicContact CB-CG2 4.37Å; L388-V403 HydrophobicContact CD1-CB 4.46Å; L388-V403 HydrophobicContact CD1-CG1 4.12Å; L388-V403 HydrophobicContact CD1-CG2 4.36Å |
| 389 | K | 47.5 | Very low | 60 | Low | 205 Ų | 205 | 91.6 Ų | 91.6 | 89% | 0.891 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 178.6 | 41.6 | 160.3 | -100.3 | 171.5 | -172.6 | -169.5 | 0 | 112.8 | F387 R391 | F387-K389 VanDerWaalsContact C-N 3.3Å; F387-K389 PolarHBondContact O-N 2.56Å; K389-R391 PolarHBondContact O-N 2.87Å; K389-R391 VanDerWaalsContact O-N 3.14Å |
| 390 | G | 45.7 | Very low | 60.8 | Low | 80 Ų | 80 | 92 Ų | 92 | 83% | 0.825 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 77.2 | -2.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 391 | R | 52.7 | Low | 61.6 | Low | 219 Ų | 219 | 91 Ų | 91 | 83% | 0.826 | 45% | 0.453 | S | S | * | . | trans | -131 | 121.5 | 169 | -72.3 | -174.1 | 177.1 | -176.1 | -0.5 | 110.6 | K389 S393 | K389-R391 PolarHBondContact O-N 2.87Å; K389-R391 VanDerWaalsContact O-N 3.14Å; R391-S393 PolarHBondContact O-N 3.24Å | ||
| 392 | R | 58 | Low | 62.4 | Low | 249 Ų | 249 | 91.5 Ų | 91.5 | 94% | 0.94 | 46% | 0.458 | S | S | * | . | trans | -65.5 | 97.2 | 169.4 | -74.5 | -177.4 | 177.2 | 177.6 | -0.1 | 108.3 | ||||
| 393 | S | 61.8 | Low | 63.6 | Low | 55 Ų | 55 | 87 Ų | 87 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | trans | -75.9 | 142.8 | 168.4 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | F387 R391 C395 | F387-S393 WeakPolarHBondContact CE2-O 3.2Å; R391-S393 PolarHBondContact O-N 3.24Å; S393-C395 VanDerWaalsContact C-N 3.26Å; S393-C395 PolarHBondContact OG-N 3.21Å; S393-C395 PolarHBondContact OG-O 2.66Å | ||
| 394 | R | 69.1 | Low | 64.6 | Low | 219 Ų | 219 | 87 Ų | 87 | 83% | 0.826 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -77 | -19.5 | 175.3 | -70.7 | -178.3 | -76.1 | -177.9 | -2.9 | 112 | ||
| 395 | C | 74.6 | Confident | 66.3 | Low | 48 Ų | 48 | 85.8 Ų | 85.8 | 32% | 0.324 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 158.9 | -177.7 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | P362 L363 V364 S393 | P362-C395 HydrophobicContact CB-CB 4.16Å; L363-C395 CarbonylContact O-C 3.5Å; L363-C395 WeakPolarHBondContact O-CA 3.38Å; L363-C395 WeakPolarHBondContact O-CB 3.47Å; V364-C395 HydrophobicContact CG2-CB 4.27Å; S393-C395 VanDerWaalsContact C-N 3.26Å; S393-C395 PolarHBondContact OG-N 3.21Å; S393-C395 PolarHBondContact OG-O 2.66Å |
| 396 | L | 76.4 | Confident | 67.6 | Low | 7 Ų | 7 | 84.9 Ų | 84.9 | 4% | 0.037 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.8 | 162.2 | -73.4 | 167.8 | 0 | 0 | 0 | 108.7 | I354 T356 P362 L363 F385 F387 V404 | I354-L396 HydrophobicContact CD1-CD1 3.71Å; I354-L396 HydrophobicContact CG1-CD1 4.09Å; T356-L396 HydrophobicContact CG2-CB 3.83Å; T356-L396 HydrophobicContact CG2-CD1 4.19Å; P362-L396 CarbonylContact C-O 3.58Å; P362-L396 VanDerWaalsContact CA-O 3.26Å; P362-L396 WeakPolarHBondContact CA-O 3.47Å; P362-L396 WeakPolarHBondContact CB-O 3.27Å; L363-L396 HydrophobicContact CB-CB 4.21Å; L363-L396 HydrophobicContact CD1-CD1 4.28Å; L363-L396 PolarHBondContact N-O 3.32Å; L363-L396 PolarHBondContact O-N 2.92Å; F385-L396 HydrophobicContact CD1-CD1 4.38Å; F385-L396 HydrophobicContact CE1-CD1 3.79Å; F385-L396 HydrophobicContact CE1-CG 4.14Å; F385-L396 HydrophobicContact CZ-CD1 4.5Å; F385-L396 HydrophobicContact CZ-CG 4.47Å; F387-L396 HydrophobicContact CE1-CD2 3.52Å; F387-L396 HydrophobicContact CE1-CG 4.07Å; F387-L396 HydrophobicContact CZ-CD2 3.9Å; F387-L396 HydrophobicContact CZ-CG 3.95Å; L396-V404 HydrophobicContact CD1-CG1 3.67Å |
| 397 | A | 75.2 | Confident | 69.3 | Low | 55 Ų | 55 | 84.2 Ų | 84.2 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 165.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T356 S400 | T356-A397 PolarHBondContact OG1-O 2.87Å; A397-S400 PolarHBondContact N-OG 3.38Å; A397-S400 VanDerWaalsContact O-CB 3.3Å; A397-S400 WeakPolarHBondContact O-CB 3.15Å; A397-S400 PolarHBondContact O-N 2.72Å; A397-S400 PolarHBondContact O-OG 3.38Å |
| 398 | K | 72.8 | Confident | 70.8 | Confident | 141 Ų | 141 | 82.1 Ų | 82.1 | 61% | 0.613 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 146.3 | 172.6 | 64.1 | -176.2 | -179.3 | -178.8 | 0 | 112.4 | S400 | K398-S400 PolarHBondContact O-N 2.88Š|
| 399 | N | 68.7 | Low | 72.5 | Confident | 118 Ų | 118 | 82.9 Ų | 82.9 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 27.5 | 176.8 | -60.5 | -20.3 | 0 | 0 | 0 | 113.9 | T356 | T356-N399 VanDerWaalsContact O-CA 3.23Å; T356-N399 WeakPolarHBondContact O-CA 3.26Å; T356-N399 PolarHBondContact O-N 3.41Å; T356-N399 PolarHBondContact OG1-N 3.45Å |
| 400 | S | 73.1 | Confident | 74.3 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | trans | -105.4 | 158.4 | 176 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | T356 A397 K398 | T356-S400 PolarHBondContact N-O 2.83Å; T356-S400 PolarHBondContact OG1-N 3.37Å; T356-S400 PolarHBondContact OG1-O 3.26Å; T356-S400 PolarHBondContact OG1-OG 3.39Å; A397-S400 PolarHBondContact N-OG 3.38Å; A397-S400 VanDerWaalsContact O-CB 3.3Å; A397-S400 WeakPolarHBondContact O-CB 3.15Å; A397-S400 PolarHBondContact O-N 2.72Å; A397-S400 PolarHBondContact O-OG 3.38Å; K398-S400 PolarHBondContact O-N 2.88Å | ||
| 401 | S | 75.9 | Confident | 76.2 | Confident | 78 Ų | 78 | 78.4 Ų | 78.4 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150.4 | 171.5 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | I354 | I354-S401 CarbonylContact O-C 3.36Å; I354-S401 VanDerWaalsContact O-CA 3.23Å; I354-S401 WeakPolarHBondContact O-CA 3.38Å; I354-S401 WeakPolarHBondContact O-CB 3.45Å |
| 402 | G | 76.6 | Confident | 77.7 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 163.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K353 I354 | K353-G402 CarbonylContact C-O 3.49Å; K353-G402 WeakPolarHBondContact CA-O 3.37Å; I354-G402 PolarHBondContact N-O 3.37Å; I354-G402 PolarHBondContact O-N 2.95Å |
| 403 | V | 82.3 | Confident | 79.1 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 14% | 0.139 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.2 | 166.4 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | Q351 A352 K353 V386 L388 | Q351-V403 HydrophobicContact CB-CG1 4.19Å; A352-V403 WeakPolarHBondContact O-CA 3.46Å; K353-V403 HydrophobicContact CB-CG2 4.41Å; V386-V403 CarbonylContact C-O 3.49Å; V386-V403 CarbonylContact O-C 3.33Å; L388-V403 HydrophobicContact CB-CB 4.49Å; L388-V403 HydrophobicContact CB-CG2 4.37Å; L388-V403 HydrophobicContact CD1-CB 4.46Å; L388-V403 HydrophobicContact CD1-CG1 4.12Å; L388-V403 HydrophobicContact CD1-CG2 4.36Å |
| 404 | V | 83 | Confident | 80.2 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.8 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | Q351 A352 I354 F385 L396 I406 | Q351-V404 CarbonylContact C-O 3.51Å; Q351-V404 WeakPolarHBondContact CA-O 3.24Å; A352-V404 PolarHBondContact N-O 3.08Å; A352-V404 PolarHBondContact O-N 3.45Å; I354-V404 HydrophobicContact CB-CG2 4.47Å; I354-V404 HydrophobicContact CD1-CB 4.32Å; I354-V404 HydrophobicContact CD1-CG1 3.57Å; I354-V404 HydrophobicContact CD1-CG2 3.75Å; I354-V404 HydrophobicContact CG1-CG1 3.81Å; I354-V404 HydrophobicContact CG1-CG2 3.9Å; I354-V404 HydrophobicContact CG2-CG2 3.77Å; F385-V404 HydrophobicContact CD1-CB 4.26Å; F385-V404 HydrophobicContact CD1-CG1 3.57Å; F385-V404 HydrophobicContact CE1-CG1 3.81Å; L396-V404 HydrophobicContact CD1-CG1 3.67Å; V404-I406 HydrophobicContact CG2-CD1 3.94Å; V404-I406 HydrophobicContact CG2-CG1 3.87Å |
| 405 | E | 87.9 | Confident | 81.1 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124 | 168 | -175.3 | 178.8 | 104.2 | 0 | 0 | 108 | F350 Y383 T384 V386 K444 | F350-E405 CarbonylContact O-C 3.53Å; F350-E405 WeakPolarHBondContact O-CA 3.12Å; Y383-E405 WeakPolarHBondContact CA-O 3.31Å; T384-E405 CarbonylContact C-O 3.47Å; T384-E405 PolarHBondContact N-O 3.34Å; T384-E405 CarbonylContact O-C 3.59Å; T384-E405 WeakPolarHBondContact O-CA 3.48Å; T384-E405 VanDerWaalsContact O-CB 3.27Å; T384-E405 WeakPolarHBondContact O-CB 3.47Å; T384-E405 PolarHBondContact O-N 3.2Å; V386-E405 HydrophobicContact CB-CB 4.27Å; V386-E405 HydrophobicContact CG2-CB 3.64Å; E405-K444 IonicContact OE2-NZ 3.03Å; E405-K444 PolarHBondContact OE2-NZ 3.15Å |
| 406 | I | 85.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.2 | -179.2 | -63.5 | 165.7 | 0 | 0 | 0 | 107.4 | R349 F350 A352 C381 V404 L428 | R349-I406 WeakPolarHBondContact CA-O 3.31Å; F350-I406 HydrophobicContact CD2-CB 4.32Å; F350-I406 HydrophobicContact CE1-CB 4Å; F350-I406 HydrophobicContact CE1-CG2 3.89Å; F350-I406 HydrophobicContact CE2-CB 3.76Å; F350-I406 HydrophobicContact CE2-CD1 3.66Å; F350-I406 HydrophobicContact CE2-CG1 4.22Å; F350-I406 HydrophobicContact CE2-CG2 4.23Å; F350-I406 HydrophobicContact CZ-CB 3.57Å; F350-I406 HydrophobicContact CZ-CD1 3.97Å; F350-I406 HydrophobicContact CZ-CG1 4.37Å; F350-I406 HydrophobicContact CZ-CG2 3.54Å; F350-I406 PolarHBondContact N-O 3.37Å; F350-I406 VanDerWaalsContact N-O 3.1Å; F350-I406 PolarHBondContact O-N 3.33Å; A352-I406 HydrophobicContact CB-CD1 4.1Å; C381-I406 HydrophobicContact CB-CG2 4.07Å; V404-I406 HydrophobicContact CG2-CD1 3.94Å; V404-I406 HydrophobicContact CG2-CG1 3.87Å; I406-L428 HydrophobicContact CD1-CD1 4.41Å; I406-L428 HydrophobicContact CD1-CD2 4.18Å |
| 407 | T | 87.7 | Confident | 81.8 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 20% | 0.202 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.5 | 173 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | S348 R349 C381 Y382 | S348-T407 CarbonylContact O-C 3.56Å; S348-T407 WeakPolarHBondContact O-CA 3.42Å; R349-T407 HydrophobicContact CG-CG2 4.06Å; C381-T407 WeakPolarHBondContact CA-O 3.37Å; Y382-T407 PolarHBondContact N-O 3.49Å; Y382-T407 CarbonylContact O-C 3.48Å; Y382-T407 WeakPolarHBondContact O-CA 3.34Å; Y382-T407 PolarHBondContact O-N 2.96Å |
| 408 | T | 85.5 | Confident | 81.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 152.6 | 175.8 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | S348 F350 F373 K410 M412 F414 | S348-T408 WeakPolarHBondContact CA-OG1 3.49Å; S348-T408 PolarHBondContact O-N 3.5Å; S348-T408 PolarHBondContact O-OG1 2.94Å; F350-T408 HydrophobicContact CE1-CG2 3.84Å; F373-T408 HydrophobicContact CE2-CG2 4.29Å; F373-T408 HydrophobicContact CZ-CG2 3.97Å; T408-K410 VanDerWaalsContact C-N 3.34Å; T408-K410 WeakPolarHBondContact CB-O 3.44Å; T408-K410 PolarHBondContact OG1-O 3.33Å; T408-M412 HydrophobicContact CG2-CG 4.32Å; T408-F414 HydrophobicContact CG2-CZ 4.41Å |
| 409 | E | 83.9 | Confident | 82.3 | Confident | 130 Ų | 130 | 49.1 Ų | 49.1 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -39.2 | 176.2 | -172 | -178.3 | 168.4 | 0 | 0 | 112.2 | H380 | H380-E409 PolarHBondContact O-N 3.35Å |
| 410 | K | 83.2 | Confident | 82.9 | Confident | 121 Ų | 121 | 43.7 Ų | 43.7 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.4 | 177.8 | -63.4 | 178.6 | -177.5 | 177.8 | 0 | 110.6 | T408 M412 | T408-K410 VanDerWaalsContact C-N 3.34Å; T408-K410 WeakPolarHBondContact CB-O 3.44Å; T408-K410 PolarHBondContact OG1-O 3.33Å; K410-M412 WeakPolarHBondContact O-CG 3.37Å; K410-M412 PolarHBondContact O-N 2.93Å |
| 411 | P | 86.1 | Confident | 83.1 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 134.3 | 171.6 | -22.4 | 33.5 | 0 | 0 | 0 | 111.1 | A346 | A346-P411 HydrophobicContact CB-CB 4.04Å |
| 412 | M | 84.2 | Confident | 83.2 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.2 | -177.9 | -65.8 | -66.1 | -68.5 | 0 | 0 | 109.8 | A346 V347 F373 I377 Q379 T408 K410 F414 | A346-M412 CarbonylContact C-O 3.52Å; A346-M412 WeakPolarHBondContact CA-O 3.41Å; V347-M412 PolarHBondContact N-O 3.45Å; V347-M412 PolarHBondContact O-N 3.38Å; F373-M412 HydrophobicContact CD2-CE 3.83Å; F373-M412 HydrophobicContact CE2-CE 4.3Å; F373-M412 HydrophobicContact CE2-CG 4.46Å; I377-M412 HydrophobicContact CB-CE 3.9Å; I377-M412 HydrophobicContact CD1-CE 3.72Å; I377-M412 HydrophobicContact CD1-SD 4.49Å; I377-M412 HydrophobicContact CG1-CE 4.4Å; I377-M412 HydrophobicContact CG2-CE 3.85Å; I377-M412 HydrophobicContact CG2-SD 4.36Å; Q379-M412 HydrophobicContact CG-CE 4.18Å; Q379-M412 HydrophobicContact CG-CG 4.28Å; Q379-M412 HydrophobicContact CG-SD 3.79Å; T408-M412 HydrophobicContact CG2-CG 4.32Å; K410-M412 WeakPolarHBondContact O-CG 3.37Å; K410-M412 PolarHBondContact O-N 2.93Å; M412-F414 HydrophobicContact CB-CD2 4.31Å; M412-F414 HydrophobicContact CB-CE1 4.29Å; M412-F414 HydrophobicContact CB-CE2 3.46Å; M412-F414 VanDerWaalsContact CB-CE2 3.46Å; M412-F414 HydrophobicContact CB-CZ 3.44Å; M412-F414 VanDerWaalsContact CB-CZ 3.44Å; M412-F414 HydrophobicContact CG-CZ 4.28Å; M412-F414 WeakPolarHBondContact O-CD2 3.42Å; M412-F414 PolarHBondContact O-N 3.28Å |
| 413 | C | 87.4 | Confident | 83.6 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.5 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | I291 I336 I344 | I291-C413 WeakPolarHBondContact CG2-SG 3.46Å; I336-C413 HydrophobicContact CB-CB 4.31Å; I336-C413 HydrophobicContact CD1-CB 3.52Å; I336-C413 HydrophobicContact CG1-CB 3.91Å; I344-C413 HydrophobicContact CD1-CB 3.94Å; I344-C413 HydrophobicContact CG1-CB 4.26Å; I344-C413 HydrophobicContact CG2-CB 4.2Å |
| 414 | F | 85.2 | Confident | 83.7 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | trans | -128.6 | 154.1 | 176.5 | -61.7 | -62.7 | 0 | 0 | 0 | 110.6 | V347 F350 F373 T408 M412 V440 L443 | V347-F414 HydrophobicContact CG2-CD2 3.74Å; V347-F414 HydrophobicContact CG2-CE2 4.45Å; F350-F414 AromaticContact CD1-CD2 3.68Å; F350-F414 HydrophobicContact CD1-CD2 3.68Å; F350-F414 AromaticContact CD1-CE2 3.35Å; F350-F414 HydrophobicContact CD1-CE2 3.35Å; F350-F414 AromaticContact CD1-CZ 4Å; F350-F414 HydrophobicContact CD1-CZ 4Å; F350-F414 AromaticContact CE1-CD2 3.99Å; F350-F414 HydrophobicContact CE1-CD2 3.99Å; F350-F414 HydrophobicContact CE1-CE1 4.25Å; F350-F414 AromaticContact CE1-CE2 3.23Å; F350-F414 HydrophobicContact CE1-CE2 3.23Å; F350-F414 AromaticContact CE1-CZ 3.4Å; F350-F414 HydrophobicContact CE1-CZ 3.4Å; F350-F414 VanDerWaalsContact CE1-CZ 3.4Å; F350-F414 HydrophobicContact CG-CD2 4.24Å; F350-F414 HydrophobicContact CG-CE2 4.28Å; F350-F414 HydrophobicContact CZ-CE1 4.32Å; F350-F414 HydrophobicContact CZ-CE2 4.08Å; F350-F414 AromaticContact CZ-CZ 3.85Å; F350-F414 HydrophobicContact CZ-CZ 3.85Å; F373-F414 HydrophobicContact CD1-CD1 4.36Å; F373-F414 AromaticContact CD1-CE1 3.29Å; F373-F414 HydrophobicContact CD1-CE1 3.29Å; F373-F414 AromaticContact CD1-CZ 3.88Å; F373-F414 HydrophobicContact CD1-CZ 3.88Å; F373-F414 HydrophobicContact CD2-CE1 4.28Å; F373-F414 HydrophobicContact CD2-CZ 4.33Å; F373-F414 HydrophobicContact CE1-CD1 4.48Å; F373-F414 AromaticContact CE1-CE1 3.29Å; F373-F414 HydrophobicContact CE1-CE1 3.29Å; F373-F414 AromaticContact CE1-CZ 3.43Å; F373-F414 HydrophobicContact CE1-CZ 3.43Å; F373-F414 VanDerWaalsContact CE1-CZ 3.43Å; F373-F414 HydrophobicContact CE2-CE1 4.31Å; F373-F414 AromaticContact CE2-CZ 3.97Å; F373-F414 HydrophobicContact CE2-CZ 3.97Å; F373-F414 AromaticContact CG-CE1 3.77Å; F373-F414 HydrophobicContact CG-CE1 3.77Å; F373-F414 HydrophobicContact CG-CZ 4.26Å; F373-F414 AromaticContact CZ-CE1 3.84Å; F373-F414 HydrophobicContact CZ-CE1 3.84Å; F373-F414 AromaticContact CZ-CZ 3.49Å; F373-F414 HydrophobicContact CZ-CZ 3.49Å; F373-F414 VanDerWaalsContact CZ-CZ 3.49Å; T408-F414 HydrophobicContact CG2-CZ 4.41Å; M412-F414 HydrophobicContact CB-CD2 4.31Å; M412-F414 HydrophobicContact CB-CE1 4.29Å; M412-F414 HydrophobicContact CB-CE2 3.46Å; M412-F414 VanDerWaalsContact CB-CE2 3.46Å; M412-F414 HydrophobicContact CB-CZ 3.44Å; M412-F414 VanDerWaalsContact CB-CZ 3.44Å; M412-F414 HydrophobicContact CG-CZ 4.28Å; M412-F414 WeakPolarHBondContact O-CD2 3.42Å; M412-F414 PolarHBondContact O-N 3.28Å; F414-V440 HydrophobicContact CB-CG1 4.48Å; F414-V440 HydrophobicContact CD1-CG2 4.26Å; F414-L443 HydrophobicContact CB-CD2 3.5Å; F414-L443 VanDerWaalsContact CB-CD2 3.5Å; F414-L443 HydrophobicContact CG-CD2 4.43Å; F414-L443 WeakPolarHBondContact O-CD1 3.36Å | ||
| 415 | E | 87.8 | Confident | 83.7 | Confident | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | trans | -126 | 158.9 | 165.8 | -72.9 | -74.8 | -175.1 | 0 | 0 | 108.7 | R256 I344 M419 L423 S424 | R256-E415 IonicContact CZ-OE1 3.08Å; R256-E415 IonicContact NE-OE1 2.82Å; R256-E415 PolarHBondContact NE-OE1 3.12Å; R256-E415 IonicContact NH2-OE1 3.5Å; R256-E415 PolarHBondContact NH2-OE1 3.28Å; I344-E415 HydrophobicContact CD1-CG 3.66Å; I344-E415 HydrophobicContact CG1-CG 4.29Å; E415-M419 HydrophobicContact CB-CB 4.07Å; E415-M419 HydrophobicContact CG-CB 4.31Å; E415-M419 WeakPolarHBondContact OE2-CB 3.34Å; E415-M419 WeakPolarHBondContact OE2-CG 3.21Å; E415-L423 HydrophobicContact CB-CB 3.94Å; E415-L423 HydrophobicContact CG-CB 4.17Å; E415-L423 HydrophobicContact CG-CD1 3.9Å; E415-S424 VanDerWaalsContact O-CA 3.25Å; E415-S424 WeakPolarHBondContact O-CA 3.46Å; E415-S424 WeakPolarHBondContact O-CB 3.46Å | ||
| 416 | T | 86.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | trans | -77.4 | 158.7 | 166.9 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | Q418 M419 S420 | T416-Q418 PolarHBondContact O-N 3.28Å; T416-M419 PolarHBondContact O-N 3.13Å; T416-S420 PolarHBondContact O-N 3.27Å | ||
| 417 | S | 79 | Confident | 83.3 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | 179.4 | 63.7 | 0 | 0 | 0 | 0 | 115 | S424 | S417-S424 WeakPolarHBondContact CA-OG 3.32Š|
| 418 | Q | 79.1 | Confident | 83 | Confident | 171 Ų | 171 | 45.3 Ų | 45.3 | 80% | 0.799 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -37.9 | 174.6 | -63.3 | -179.4 | 1.4 | 0 | 0 | 111.3 | T416 | T416-Q418 PolarHBondContact O-N 3.28Š|
| 419 | M | 81.1 | Confident | 82.8 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 34% | 0.335 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -45.6 | 179 | -66.2 | -59.7 | -66 | 0 | 0 | 111.6 | N253 I279 E415 T416 | N253-M419 PolarHBondContact ND2-O 3.28Å; I279-M419 WeakPolarHBondContact CD1-O 3.5Å; E415-M419 HydrophobicContact CB-CB 4.07Å; E415-M419 HydrophobicContact CG-CB 4.31Å; E415-M419 WeakPolarHBondContact OE2-CB 3.34Å; E415-M419 WeakPolarHBondContact OE2-CG 3.21Å; T416-M419 PolarHBondContact O-N 3.13Å |
| 420 | S | 81.2 | Confident | 82.6 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -151.2 | 121.3 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | I279 T416 E422 L423 S424 | I279-S420 VanDerWaalsContact CD1-CB 3.41Å; T416-S420 PolarHBondContact O-N 3.27Å; S420-E422 PolarHBondContact O-N 3.24Å; S420-E422 PolarHBondContact OG-N 2.69Å; S420-E422 PolarHBondContact OG-OE2 3.04Å; S420-L423 PolarHBondContact OG-N 3.09Å; S420-S424 VanDerWaalsContact O-CB 3.25Å; S420-S424 WeakPolarHBondContact O-CB 3.25Å; S420-S424 PolarHBondContact O-N 3.23Å; S420-S424 PolarHBondContact O-OG 3.28Å | ||
| 421 | K | 77.7 | Confident | 82.4 | Confident | 135 Ų | 135 | 45 Ų | 45 | 59% | 0.587 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.1 | 173.1 | -71.6 | -178.9 | -178.3 | 170.6 | 0 | 110.7 | S424 R425 | K421-S424 WeakPolarHBondContact CA-OG 3.45Å; K421-S424 PolarHBondContact O-OG 3.49Å; K421-R425 VanDerWaalsContact O-CD 3.23Å; K421-R425 WeakPolarHBondContact O-CD 3.41Å; K421-R425 VanDerWaalsContact O-CG 3.24Å; K421-R425 WeakPolarHBondContact O-CG 3.26Å; K421-R425 PolarHBondContact O-NE 3.36Å; K421-R425 VanDerWaalsContact O-NE 3.11Å |
| 422 | E | 77.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -55.4 | -177.8 | -67.5 | 69.2 | -143.2 | 0 | 0 | 110.8 | V278 F374 S420 S424 R425 | V278-E422 HydrophobicContact CG1-CB 3.46Å; V278-E422 VanDerWaalsContact CG1-CB 3.46Å; V278-E422 HydrophobicContact CG1-CG 3.87Å; F374-E422 HydrophobicContact CD2-CB 3.76Å; F374-E422 WeakPolarHBondContact CD2-O 3.39Å; F374-E422 HydrophobicContact CE2-CB 3.46Å; F374-E422 VanDerWaalsContact CE2-CB 3.46Å; F374-E422 HydrophobicContact CE2-CG 3.87Å; F374-E422 HydrophobicContact CZ-CB 4.05Å; F374-E422 HydrophobicContact CZ-CG 4.37Å; S420-E422 PolarHBondContact O-N 3.24Å; S420-E422 PolarHBondContact OG-N 2.69Å; S420-E422 PolarHBondContact OG-OE2 3.04Å; E422-S424 PolarHBondContact O-N 2.97Å; E422-R425 PolarHBondContact O-N 2.8Å |
| 423 | L | 84.5 | Confident | 81.2 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.1 | -178.2 | -62.7 | 177.2 | 0 | 0 | 0 | 114.1 | R256 T258 V278 I336 I344 F374 E415 S420 | R256-L423 HydrophobicContact CB-CD1 3.97Å; R256-L423 HydrophobicContact CG-CD1 3.87Å; T258-L423 HydrophobicContact CG2-CD2 4.01Å; V278-L423 HydrophobicContact CG1-CG 4.28Å; I336-L423 HydrophobicContact CD1-CD1 4.03Å; I336-L423 HydrophobicContact CD1-CD2 3.67Å; I336-L423 HydrophobicContact CD1-CG 4.49Å; I344-L423 HydrophobicContact CD1-CD1 3.94Å; F374-L423 HydrophobicContact CB-CD2 4.26Å; F374-L423 HydrophobicContact CD1-CD2 4.08Å; F374-L423 HydrophobicContact CG-CD2 4.26Å; E415-L423 HydrophobicContact CB-CB 3.94Å; E415-L423 HydrophobicContact CG-CB 4.17Å; E415-L423 HydrophobicContact CG-CD1 3.9Å; S420-L423 PolarHBondContact OG-N 3.09Å |
| 424 | S | 84.5 | Confident | 80.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -9.9 | 174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | E415 S417 S420 K421 E422 I439 V440 | E415-S424 VanDerWaalsContact O-CA 3.25Å; E415-S424 WeakPolarHBondContact O-CA 3.46Å; E415-S424 WeakPolarHBondContact O-CB 3.46Å; S417-S424 WeakPolarHBondContact CA-OG 3.32Å; S420-S424 VanDerWaalsContact O-CB 3.25Å; S420-S424 WeakPolarHBondContact O-CB 3.25Å; S420-S424 PolarHBondContact O-N 3.23Å; S420-S424 PolarHBondContact O-OG 3.28Å; K421-S424 WeakPolarHBondContact CA-OG 3.45Å; K421-S424 PolarHBondContact O-OG 3.49Å; E422-S424 PolarHBondContact O-N 2.97Å; S424-I439 CarbonylContact O-C 3.5Å; S424-I439 VanDerWaalsContact O-CA 3.29Å; S424-I439 WeakPolarHBondContact O-CA 3.36Å; S424-V440 WeakPolarHBondContact O-CG2 3.22Å; S424-V440 PolarHBondContact O-N 3.37Å |
| 425 | R | 83.3 | Confident | 80.4 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.5 | -176.8 | -72.2 | 155.3 | -175.2 | 166.2 | 10.6 | 111.4 | L163 G164 K421 E422 | L163-R425 VanDerWaalsContact C-CD 3.47Å; L163-R425 WeakPolarHBondContact O-CD 3.04Å; L163-R425 PolarHBondContact O-NE 2.65Å; L163-R425 PolarHBondContact O-NH1 3.47Å; G164-R425 PolarHBondContact O-NH2 3.42Å; K421-R425 VanDerWaalsContact O-CD 3.23Å; K421-R425 WeakPolarHBondContact O-CD 3.41Å; K421-R425 VanDerWaalsContact O-CG 3.24Å; K421-R425 WeakPolarHBondContact O-CG 3.26Å; K421-R425 PolarHBondContact O-NE 3.36Å; K421-R425 VanDerWaalsContact O-NE 3.11Å; E422-R425 PolarHBondContact O-N 2.8Å |
| 426 | V | 82.6 | Confident | 80 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136 | 174.3 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | A352 A371 F373 L428 A437 G438 | A352-V426 HydrophobicContact CB-CG1 3.97Å; A371-V426 HydrophobicContact CB-CG2 4.23Å; F373-V426 HydrophobicContact CD1-CB 4.12Å; F373-V426 HydrophobicContact CD1-CG2 3.84Å; F373-V426 HydrophobicContact CE1-CB 4.06Å; F373-V426 HydrophobicContact CE1-CG2 3.46Å; F373-V426 VanDerWaalsContact CE1-CG2 3.46Å; F373-V426 HydrophobicContact CZ-CG2 4.42Å; V426-L428 HydrophobicContact CG2-CD2 3.92Å; V426-A437 CarbonylContact O-C 3.23Å; V426-A437 VanDerWaalsContact O-CA 3.24Å; V426-A437 WeakPolarHBondContact O-CA 3.41Å; V426-G438 PolarHBondContact N-O 2.55Å; V426-G438 PolarHBondContact O-N 3.1Å |
| 427 | T | 80.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.9 | 171.8 | -61 | 0 | 0 | 0 | 0 | 109.2 | I123 L159 A371 H372 R429 T434 | I123-T427 HydrophobicContact CD1-CG2 4.4Å; L159-T427 HydrophobicContact CD2-CG2 3.6Å; A371-T427 CarbonylContact C-O 3.58Å; A371-T427 WeakPolarHBondContact CA-O 3.32Å; H372-T427 PolarHBondContact N-O 3.37Å; H372-T427 PolarHBondContact O-N 2.87Å; T427-R429 HydrophobicContact CG2-CG 4.3Å; T427-T434 HydrophobicContact CG2-CG2 3.65Å |
| 428 | L | 82 | Confident | 79.9 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.7 | 178 | -56.1 | -177.2 | 0 | 0 | 0 | 109.8 | I354 V369 A371 I406 V426 I435 A436 | I354-L428 HydrophobicContact CD1-CD1 4.15Å; I354-L428 HydrophobicContact CG2-CD1 4.44Å; V369-L428 HydrophobicContact CG2-CD2 4.21Å; A371-L428 HydrophobicContact CB-CD2 3.82Å; I406-L428 HydrophobicContact CD1-CD1 4.41Å; I406-L428 HydrophobicContact CD1-CD2 4.18Å; V426-L428 HydrophobicContact CG2-CD2 3.92Å; L428-I435 HydrophobicContact CB-CD1 4.03Å; L428-I435 HydrophobicContact CB-CG1 3.77Å; L428-I435 WeakPolarHBondContact O-CG1 3.38Å; L428-I435 PolarHBondContact O-N 3.43Å; L428-A436 HydrophobicContact CB-CB 4.19Å; L428-A436 HydrophobicContact CD1-CB 4.17Å; L428-A436 HydrophobicContact CG-CB 4.43Å; L428-A436 PolarHBondContact N-O 3.13Å; L428-A436 PolarHBondContact O-N 3.03Å |
| 429 | R | 81.2 | Confident | 80.1 | Confident | 14 Ų | 14 | 37 Ų | 37 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.6 | 178.6 | -60.2 | -170.5 | 66 | -158 | -1.9 | 111.5 | I119 C370 T427 G432 C433 | I119-R429 VanDerWaalsContact CB-NH2 3.34Å; C370-R429 PolarHBondContact N-O 3.37Å; C370-R429 PolarHBondContact O-N 2.85Å; T427-R429 HydrophobicContact CG2-CG 4.3Å; R429-G432 PolarHBondContact NH2-O 3.13Å; R429-C433 CarbonylContact C-O 3.56Å; R429-C433 VanDerWaalsContact CA-O 3.25Å; R429-C433 WeakPolarHBondContact CA-O 3.38Å |
| 430 | F | 79.9 | Confident | 80.4 | Confident | 56 Ų | 56 | 33.8 Ų | 33.8 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 128.8 | 177.1 | -175.8 | -110 | 0 | 0 | 0 | 109.6 | M367 E368 V369 G432 C433 I435 | M367-F430 HydrophobicContact CE-CB 3.93Å; M367-F430 HydrophobicContact CE-CD1 3.3Å; M367-F430 HydrophobicContact CE-CD2 3.32Å; M367-F430 HydrophobicContact CE-CE1 3.45Å; M367-F430 VanDerWaalsContact CE-CE1 3.45Å; M367-F430 HydrophobicContact CE-CE2 3.48Å; M367-F430 VanDerWaalsContact CE-CE2 3.48Å; M367-F430 HydrophobicContact CE-CG 3.22Å; M367-F430 HydrophobicContact CE-CZ 3.54Å; M367-F430 HydrophobicContact CG-CE2 4.48Å; E368-F430 WeakPolarHBondContact O-CD2 3.4Å; E368-F430 WeakPolarHBondContact O-CE2 3.05Å; V369-F430 HydrophobicContact CG1-CB 4.42Å; V369-F430 HydrophobicContact CG1-CD2 4.4Å; F430-G432 PolarHBondContact O-N 3.26Å; F430-C433 PolarHBondContact N-O 3.43Å; F430-C433 PolarHBondContact O-N 2.8Å; F430-I435 HydrophobicContact CB-CD1 3.81Å; F430-I435 HydrophobicContact CB-CG2 3.64Å |
| 431 | K | 78.2 | Confident | 80.7 | Confident | 179 Ų | 179 | 36.8 Ų | 36.8 | 78% | 0.778 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.7 | -179.3 | -62.8 | -175.9 | 175.9 | -174 | 0 | 113.6 | C433 | K431-C433 VanDerWaalsContact C-N 3.26Å; K431-C433 PolarHBondContact O-N 3.01Å |
| 432 | G | 72 | Confident | 81.3 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 49% | 0.485 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -8.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R429 F430 | R429-G432 PolarHBondContact NH2-O 3.13Å; F430-G432 PolarHBondContact O-N 3.26Å |
| 433 | C | 74.3 | Confident | 81.8 | Confident | 62 Ų | 62 | 34.2 Ų | 34.2 | 42% | 0.419 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.2 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | P359 R429 F430 K431 I435 | P359-C433 HydrophobicContact CB-CB 4.32Å; R429-C433 CarbonylContact C-O 3.56Å; R429-C433 VanDerWaalsContact CA-O 3.25Å; R429-C433 WeakPolarHBondContact CA-O 3.38Å; F430-C433 PolarHBondContact N-O 3.43Å; F430-C433 PolarHBondContact O-N 2.8Å; K431-C433 VanDerWaalsContact C-N 3.26Å; K431-C433 PolarHBondContact O-N 3.01Å; C433-I435 WeakPolarHBondContact O-CG2 3.47Å; C433-I435 PolarHBondContact O-N 3.3Å |
| 434 | T | 75.2 | Confident | 81.8 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.2 | 168.7 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | E155 L159 F357 T427 | E155-T434 WeakPolarHBondContact OE1-CB 3.15Å; E155-T434 PolarHBondContact OE1-N 3.28Å; E155-T434 PolarHBondContact OE1-OG1 3.27Å; L159-T434 HydrophobicContact CD2-CG2 3.52Å; L159-T434 HydrophobicContact CG-CG2 4.25Å; F357-T434 HydrophobicContact CD2-CG2 3.94Å; F357-T434 HydrophobicContact CE2-CG2 4.07Å; T427-T434 HydrophobicContact CG2-CG2 3.65Å |
| 435 | I | 79.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -29.1 | -172.6 | 74.1 | -166.1 | 0 | 0 | 0 | 113 | T356 F357 P359 L363 V369 L428 F430 C433 | T356-I435 CarbonylContact C-O 3.45Å; T356-I435 WeakPolarHBondContact CA-O 3.43Å; F357-I435 PolarHBondContact N-O 3.07Å; P359-I435 HydrophobicContact CB-CG2 4.34Å; P359-I435 HydrophobicContact CG-CB 3.68Å; P359-I435 HydrophobicContact CG-CG2 3.45Å; P359-I435 VanDerWaalsContact CG-CG2 3.45Å; L363-I435 HydrophobicContact CD2-CB 4.28Å; L363-I435 HydrophobicContact CD2-CD1 3.41Å; L363-I435 VanDerWaalsContact CD2-CD1 3.41Å; L363-I435 HydrophobicContact CD2-CG1 3.79Å; V369-I435 HydrophobicContact CB-CD1 4.19Å; V369-I435 HydrophobicContact CG1-CD1 3.47Å; V369-I435 VanDerWaalsContact CG1-CD1 3.47Å; L428-I435 HydrophobicContact CB-CD1 4.03Å; L428-I435 HydrophobicContact CB-CG1 3.77Å; L428-I435 WeakPolarHBondContact O-CG1 3.38Å; L428-I435 PolarHBondContact O-N 3.43Å; F430-I435 HydrophobicContact CB-CD1 3.81Å; F430-I435 HydrophobicContact CB-CG2 3.64Å; C433-I435 WeakPolarHBondContact O-CG2 3.47Å; C433-I435 PolarHBondContact O-N 3.3Å |
| 436 | A | 79.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 163.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I354 V355 T356 F357 L363 L428 | I354-A436 HydrophobicContact CB-CB 4.35Å; I354-A436 HydrophobicContact CD1-CB 4.08Å; V355-A436 CarbonylContact O-C 3.5Å; V355-A436 WeakPolarHBondContact O-CA 3.12Å; V355-A436 VanDerWaalsContact O-CB 3.27Å; V355-A436 WeakPolarHBondContact O-CB 3.45Å; T356-A436 HydrophobicContact CG2-CB 4.26Å; F357-A436 VanDerWaalsContact CE2-C 3.48Å; L363-A436 HydrophobicContact CD1-CB 4.27Å; L428-A436 HydrophobicContact CB-CB 4.19Å; L428-A436 HydrophobicContact CD1-CB 4.17Å; L428-A436 HydrophobicContact CG-CB 4.43Å; L428-A436 PolarHBondContact N-O 3.13Å; L428-A436 PolarHBondContact O-N 3.03Å |
| 437 | A | 81.6 | Confident | 81.5 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S162 I354 V355 F357 V426 | S162-A437 VanDerWaalsContact OG-CB 3.25Å; S162-A437 WeakPolarHBondContact OG-CB 3.36Å; I354-A437 CarbonylContact C-O 3.55Å; I354-A437 VanDerWaalsContact CA-O 3.26Å; I354-A437 WeakPolarHBondContact CA-O 3.28Å; V355-A437 PolarHBondContact N-O 2.97Å; V355-A437 PolarHBondContact O-N 2.99Å; F357-A437 HydrophobicContact CE2-CB 3.76Å; F357-A437 HydrophobicContact CZ-CB 3.82Å; V426-A437 CarbonylContact O-C 3.23Å; V426-A437 VanDerWaalsContact O-CA 3.24Å; V426-A437 WeakPolarHBondContact O-CA 3.41Å |
| 438 | G | 80.9 | Confident | 81.6 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -174.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K353 V426 | K353-G438 CarbonylContact O-C 3.6Å; K353-G438 WeakPolarHBondContact O-CA 3.39Å; V426-G438 PolarHBondContact N-O 2.55Å; V426-G438 PolarHBondContact O-N 3.1Å |
| 439 | I | 83.8 | Confident | 81.6 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.4 | -177.4 | -61.8 | 176.1 | 0 | 0 | 0 | 107.9 | A352 K353 S424 T441 | A352-I439 CarbonylContact C-O 3.42Å; A352-I439 VanDerWaalsContact CA-O 3.24Å; A352-I439 WeakPolarHBondContact CA-O 3.44Å; K353-I439 PolarHBondContact N-O 2.73Å; K353-I439 PolarHBondContact O-N 3.38Å; S424-I439 CarbonylContact O-C 3.5Å; S424-I439 VanDerWaalsContact O-CA 3.29Å; S424-I439 WeakPolarHBondContact O-CA 3.36Å; I439-T441 PolarHBondContact O-N 3.13Å |
| 440 | V | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 121.2 | 173 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | F350 Q351 F414 S424 L443 | F350-V440 HydrophobicContact CB-CG1 4.24Å; F350-V440 HydrophobicContact CD2-CG1 4.2Å; F350-V440 HydrophobicContact CD2-CG2 3.74Å; F350-V440 HydrophobicContact CE2-CG2 3.9Å; Q351-V440 WeakPolarHBondContact O-CA 3.16Å; F414-V440 HydrophobicContact CB-CG1 4.48Å; F414-V440 HydrophobicContact CD1-CG2 4.26Å; S424-V440 WeakPolarHBondContact O-CG2 3.22Å; S424-V440 PolarHBondContact O-N 3.37Å; V440-L443 HydrophobicContact CG1-CD2 3.55Å |
| 441 | T | 87.1 | Confident | 81.7 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -30 | -178.4 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | Q351 K353 I439 | Q351-T441 PolarHBondContact O-N 2.97Å; Q351-T441 PolarHBondContact O-OG1 3.29Å; K353-T441 HydrophobicContact CB-CG2 3.94Å; I439-T441 PolarHBondContact O-N 3.13Å |
| 442 | E | 89.4 | Confident | 82 | Confident | 90 Ų | 90 | 41.9 Ų | 41.9 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 139.3 | -175.6 | -168.7 | -173.8 | 177.5 | 0 | 0 | 110.1 | F350 Q351 | F350-E442 CarbonylContact C-O 3.53Å; F350-E442 WeakPolarHBondContact CA-O 3.16Å; F350-E442 WeakPolarHBondContact CB-O 3.41Å; Q351-E442 HydrophobicContact CB-CB 4.07Å; Q351-E442 HydrophobicContact CG-CB 4.31Å; Q351-E442 PolarHBondContact N-O 3.46Å; Q351-E442 PolarHBondContact NE2-OE2 3.49Å; Q351-E442 PolarHBondContact O-N 3.29Å |
| 443 | L | 89.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.1 | 173.7 | -53.2 | -177.4 | 0 | 0 | 0 | 108.9 | A345 V347 F350 F414 V440 | A345-L443 HydrophobicContact CB-CD1 4.39Å; V347-L443 HydrophobicContact CG1-CB 4.39Å; V347-L443 HydrophobicContact CG2-CB 4.29Å; V347-L443 HydrophobicContact CG2-CD2 4.08Å; F350-L443 HydrophobicContact CB-CD2 4.14Å; F414-L443 HydrophobicContact CB-CD2 3.5Å; F414-L443 VanDerWaalsContact CB-CD2 3.5Å; F414-L443 HydrophobicContact CG-CD2 4.43Å; F414-L443 WeakPolarHBondContact O-CD1 3.36Å; V440-L443 HydrophobicContact CG1-CD2 3.55Å |
| 444 | K | 84.7 | Confident | 83.6 | Confident | 126 Ų | 126 | 39.6 Ų | 39.6 | 55% | 0.548 | 20% | 0.203 | S | C | . | . | trans | -122.1 | 0 | -175.9 | -73.4 | -166.3 | 175.4 | -178.4 | 0 | 113.8 | R349 Q351 E405 | R349-K444 HydrophobicContact CB-CB 3.99Å; R349-K444 PolarHBondContact O-N 3.43Å; Q351-K444 VanDerWaalsContact NE2-NZ 3.19Å; E405-K444 IonicContact OE2-NZ 3.03Å; E405-K444 PolarHBondContact OE2-NZ 3.15Å |
Retrieved 444 of 444 residues in 277.7 ms
(Link to these results)