| 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 | 32.5 | Very low | 45 | Very low | 248 Ų | 248 | 116 Ų | 116 | 100% | 1.222 | 69% | 0.687 | S | S | * | * | 0 | 119.5 | 0 | -73.1 | -178.5 | 170.8 | 0 | 0 | 107.7 | |||||
| 2 | I | 35.7 | Very low | 48.1 | Very low | 171 Ų | 171 | 116 Ų | 116 | 88% | 0.877 | 68% | 0.681 | S | S | * | * | trans | -112.4 | 119.8 | 164.1 | -61.9 | 176.3 | 0 | 0 | 0 | 104.7 | ||||
| 3 | S | 32.8 | Very low | 50.5 | Low | 98 Ų | 98 | 115 Ų | 115 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | -67.9 | 139.2 | 177.7 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | S5 | S3-S5 PolarHBondContact O-N 3.42Š| ||
| 4 | P | 37.5 | Very low | 52.7 | Low | 124 Ų | 124 | 117.6 Ų | 117.6 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -76 | 92.1 | 178.3 | 30.5 | -33.1 | 0 | 0 | 0 | 109.9 | S6 | P4-S6 PolarHBondContact O-N 3.46Å; P4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | S | 38 | Very low | 54.8 | Low | 103 Ų | 103 | 112.6 Ų | 112.6 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | trans | -64.4 | 106.5 | 163.3 | 45.4 | 0 | 0 | 0 | 0 | 108.6 | S3 S7 | S3-S5 PolarHBondContact O-N 3.42Å; S5-S7 PolarHBondContact O-N 2.97Å | ||
| 6 | S | 39 | Very low | 56.8 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 85% | 0.846 | 61% | 0.612 | S | S | * | * | trans | -78 | 30.2 | -161.8 | 50.1 | 0 | 0 | 0 | 0 | 115.7 | P4 T8 | P4-S6 PolarHBondContact O-N 3.46Å; P4-S6 VanDerWaalsContact O-N 3.1Å; S6-T8 PolarHBondContact O-N 3.01Å | ||
| 7 | S | 46.4 | Very low | 58.5 | Low | 89 Ų | 89 | 105.4 Ų | 105.4 | 62% | 0.622 | 60% | 0.598 | S | S | * | * | trans | -92.9 | 92.3 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | S5 I9 | S5-S7 PolarHBondContact O-N 2.97Å; S7-I9 PolarHBondContact O-N 3.37Å; S7-I9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | T | 46 | Very low | 60.1 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | trans | -58.5 | 113.1 | 168.9 | 34.4 | 0 | 0 | 0 | 0 | 109.8 | S6 N10 | S6-T8 PolarHBondContact O-N 3.01Å; T8-N10 PolarHBondContact O-N 3.48Å | ||
| 9 | I | 56.3 | Low | 61.6 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 35% | 0.354 | 56% | 0.56 | S | S | . | * | trans | -61.9 | 104 | 175.8 | -60.9 | 176 | 0 | 0 | 0 | 108.2 | S7 L11 D37 | S7-I9 PolarHBondContact O-N 3.37Å; S7-I9 VanDerWaalsContact O-N 3.08Å; I9-L11 HydrophobicContact CG2-CD2 4.39Å; I9-L11 HydrophobicContact CG2-CG 4.38Å; I9-L11 PolarHBondContact O-N 3.42Å; I9-D37 HydrophobicContact CD1-CB 4.32Å; I9-D37 VanDerWaalsContact CD1-O 3.31Å; I9-D37 WeakPolarHBondContact CD1-O 3.46Å | ||
| 10 | N | 60.3 | Low | 63 | Low | 128 Ų | 128 | 95 Ų | 95 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | trans | -90 | 84.8 | -176.4 | -139.9 | -2.8 | 0 | 0 | 0 | 108.5 | T8 | T8-N10 PolarHBondContact O-N 3.48Š| ||
| 11 | L | 70.9 | Confident | 64.1 | Low | 33 Ų | 33 | 93.1 Ų | 93.1 | 17% | 0.173 | 52% | 0.521 | C | S | . | . | trans | -58.7 | 136.1 | -177.3 | -73.7 | 165.8 | 0 | 0 | 0 | 112.3 | I9 D15 K16 L19 F34 V44 | I9-L11 HydrophobicContact CG2-CD2 4.39Å; I9-L11 HydrophobicContact CG2-CG 4.38Å; I9-L11 PolarHBondContact O-N 3.42Å; L11-D15 HydrophobicContact CD2-CB 3.77Å; L11-K16 HydrophobicContact CB-CG 3.64Å; L11-K16 HydrophobicContact CD1-CG 4.31Å; L11-K16 WeakPolarHBondContact O-CE 3.49Å; L11-L19 HydrophobicContact CD1-CD2 4.14Å; L11-F34 HydrophobicContact CD1-CD2 4.34Å; L11-F34 HydrophobicContact CD1-CE2 3.45Å; L11-F34 VanDerWaalsContact CD1-CE2 3.45Å; L11-F34 HydrophobicContact CD1-CZ 3.65Å; L11-F34 HydrophobicContact CD2-CE2 4.24Å; L11-F34 HydrophobicContact CG-CE2 3.99Å; L11-F34 HydrophobicContact CG-CZ 4.49Å; L11-V44 HydrophobicContact CD1-CG2 3.83Å | ||
| 12 | N | 81.3 | Confident | 66.7 | Low | 116 Ų | 116 | 81.7 Ų | 81.7 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | trans | -64.1 | 154.3 | 166.8 | -72.8 | -35.8 | 0 | 0 | 0 | 110.8 | Q14 D15 K16 | N12-Q14 PolarHBondContact O-N 3.49Å; N12-Q14 VanDerWaalsContact O-N 3.13Å; N12-D15 PolarHBondContact O-N 3.46Å; N12-K16 PolarHBondContact O-N 3.44Å | ||
| 13 | N | 79.1 | Confident | 69.2 | Low | 103 Ų | 103 | 73.5 Ų | 73.5 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -55.3 | -35.6 | -177.5 | -68.9 | -11.9 | 0 | 0 | 0 | 113.7 | L17 N47 | N13-L17 WeakPolarHBondContact O-CB 3.32Å; N13-L17 PolarHBondContact O-N 3.49Å; N13-L17 VanDerWaalsContact O-N 3.08Å; N13-N47 VanDerWaalsContact CG-ND2 3.27Å; N13-N47 PolarHBondContact ND2-ND2 3.38Å; N13-N47 PolarHBondContact OD1-ND2 3.28Å |
| 14 | Q | 82.3 | Confident | 71.8 | Confident | 152 Ų | 152 | 73.1 Ų | 73.1 | 71% | 0.71 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.7 | -38.3 | 174.8 | -72.6 | -172 | -20.3 | 0 | 0 | 112.5 | N12 L17 K18 | N12-Q14 PolarHBondContact O-N 3.49Å; N12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-L17 PolarHBondContact O-N 3.21Å; Q14-K18 WeakPolarHBondContact O-CG 3.49Å; Q14-K18 PolarHBondContact O-N 3.18Å |
| 15 | D | 83.9 | Confident | 74 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -78.4 | -31.7 | -178.3 | -55.5 | -47.8 | 0 | 0 | 0 | 111.7 | L11 N12 K18 L19 | L11-D15 HydrophobicContact CD2-CB 3.77Å; N12-D15 PolarHBondContact O-N 3.46Å; D15-K18 PolarHBondContact O-N 3.14Å; D15-K18 IonicContact OD1-NZ 3.61Å; D15-K18 PolarHBondContact OD1-NZ 3.31Å; D15-L19 PolarHBondContact O-N 3.1Å |
| 16 | K | 86.1 | Confident | 76.3 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 13% | 0.13 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.7 | -50.3 | 164 | -63.5 | -172.2 | -171.7 | -162 | 0 | 110.9 | L11 N12 K18 L19 L20 N43 V44 | L11-K16 HydrophobicContact CB-CG 3.64Å; L11-K16 HydrophobicContact CD1-CG 4.31Å; L11-K16 WeakPolarHBondContact O-CE 3.49Å; N12-K16 PolarHBondContact O-N 3.44Å; K16-K18 VanDerWaalsContact C-N 3.34Å; K16-K18 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 3.42Å; K16-L20 VanDerWaalsContact O-CG 3.27Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.33Å; K16-N43 VanDerWaalsContact CE-O 3.25Å; K16-N43 WeakPolarHBondContact CE-O 3.44Å; K16-N43 PolarHBondContact NZ-O 2.9Å; K16-V44 HydrophobicContact CB-CG1 4.46Å |
| 17 | L | 86.3 | Confident | 78.6 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -35.1 | -179 | -171.3 | 63.8 | 0 | 0 | 0 | 112.6 | N13 Q14 L20 N21 | N13-L17 WeakPolarHBondContact O-CB 3.32Å; N13-L17 PolarHBondContact O-N 3.49Å; N13-L17 VanDerWaalsContact O-N 3.08Å; Q14-L17 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 2.93Å; L17-N21 WeakPolarHBondContact O-CB 3.27Å; L17-N21 VanDerWaalsContact O-CG 3.32Å; L17-N21 PolarHBondContact O-N 2.68Å; L17-N21 PolarHBondContact O-ND2 3.11Å |
| 18 | K | 87.6 | Confident | 80.6 | Confident | 106 Ų | 106 | 64.2 Ų | 64.2 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 170.2 | -71.9 | 170 | -162.1 | 162 | 0 | 111.3 | Q14 D15 K16 L20 N21 A22 | Q14-K18 WeakPolarHBondContact O-CG 3.49Å; Q14-K18 PolarHBondContact O-N 3.18Å; D15-K18 PolarHBondContact O-N 3.14Å; D15-K18 IonicContact OD1-NZ 3.61Å; D15-K18 PolarHBondContact OD1-NZ 3.31Å; K16-K18 VanDerWaalsContact C-N 3.34Å; K16-K18 PolarHBondContact O-N 3.27Å; K18-L20 PolarHBondContact O-N 2.7Å; K18-N21 PolarHBondContact O-N 2.91Å; K18-A22 WeakPolarHBondContact O-CB 3.33Å; K18-A22 PolarHBondContact O-N 3.37Å |
| 19 | L | 88.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.8 | -179.2 | 56.9 | 0 | 0 | 0 | 112.5 | L11 D15 K16 A22 C23 Y30 L31 F34 L41 V44 | L11-L19 HydrophobicContact CD1-CD2 4.14Å; D15-L19 PolarHBondContact O-N 3.1Å; K16-L19 PolarHBondContact O-N 3.42Å; L19-A22 WeakPolarHBondContact O-CB 3.46Å; L19-A22 PolarHBondContact O-N 2.98Å; L19-C23 PolarHBondContact O-N 3.21Å; L19-C23 PolarHBondContact O-SG 3.03Å; L19-Y30 HydrophobicContact CB-CE1 3.98Å; L19-Y30 HydrophobicContact CD1-CD1 3.7Å; L19-Y30 HydrophobicContact CD1-CE1 3.8Å; L19-Y30 HydrophobicContact CG-CE1 4.47Å; L19-L31 HydrophobicContact CD1-CD1 4.32Å; L19-F34 HydrophobicContact CD1-CB 4.31Å; L19-F34 HydrophobicContact CD1-CG 4.46Å; L19-F34 HydrophobicContact CD2-CB 4.4Å; L19-F34 HydrophobicContact CD2-CD1 3.51Å; L19-F34 HydrophobicContact CD2-CD2 4.02Å; L19-F34 HydrophobicContact CD2-CE1 3.65Å; L19-F34 HydrophobicContact CD2-CE2 4.15Å; L19-F34 HydrophobicContact CD2-CG 3.69Å; L19-F34 HydrophobicContact CD2-CZ 3.96Å; L19-L41 HydrophobicContact CD2-CD2 4.47Å; L19-V44 HydrophobicContact CB-CG1 4.39Å; L19-V44 HydrophobicContact CD2-CB 4.44Å; L19-V44 HydrophobicContact CD2-CG1 3.87Å; L19-V44 HydrophobicContact CD2-CG2 3.84Å; L19-V44 HydrophobicContact CG-CG1 4.21Å |
| 20 | L | 89 | Confident | 84.1 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174 | -70 | 169.6 | 0 | 0 | 0 | 111.8 | K16 L17 K18 C23 R24 V44 D46 T53 Y56 | K16-L20 VanDerWaalsContact O-CG 3.27Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.33Å; L17-L20 PolarHBondContact O-N 2.93Å; K18-L20 PolarHBondContact O-N 2.7Å; L20-C23 PolarHBondContact O-N 3Å; L20-R24 PolarHBondContact O-N 3.33Å; L20-V44 HydrophobicContact CD2-CG1 4.07Å; L20-V44 HydrophobicContact CG-CG1 4.03Å; L20-D46 HydrophobicContact CD1-CB 3.84Å; L20-T53 HydrophobicContact CD2-CG2 3.77Å; L20-Y56 HydrophobicContact CB-CD1 3.67Å; L20-Y56 HydrophobicContact CB-CD2 4.15Å; L20-Y56 HydrophobicContact CB-CE1 3.75Å; L20-Y56 HydrophobicContact CB-CE2 4.23Å; L20-Y56 HydrophobicContact CB-CG 3.86Å; L20-Y56 HydrophobicContact CD1-CD2 4.43Å; L20-Y56 HydrophobicContact CD1-CE2 4.02Å; L20-Y56 HydrophobicContact CD2-CD2 3.85Å; L20-Y56 HydrophobicContact CD2-CE2 4.26Å; L20-Y56 HydrophobicContact CD2-CG 4.12Å; L20-Y56 HydrophobicContact CG-CD2 4.37Å; L20-Y56 HydrophobicContact CG-CE2 4.41Å; L20-Y56 WeakPolarHBondContact O-CD1 3.47Å |
| 21 | N | 87.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 175.6 | -73.6 | -29 | 0 | 0 | 0 | 112.7 | L17 K18 R24 Q25 | L17-N21 WeakPolarHBondContact O-CB 3.27Å; L17-N21 VanDerWaalsContact O-CG 3.32Å; L17-N21 PolarHBondContact O-N 2.68Å; L17-N21 PolarHBondContact O-ND2 3.11Å; K18-N21 PolarHBondContact O-N 2.91Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 3.31Å; N21-Q25 WeakPolarHBondContact O-CB 3.3Å; N21-Q25 WeakPolarHBondContact O-CG 3.39Å; N21-Q25 PolarHBondContact O-N 3.39Å |
| 22 | A | 86.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K18 L19 R24 Q25 G26 D27 Y30 | K18-A22 WeakPolarHBondContact O-CB 3.33Å; K18-A22 PolarHBondContact O-N 3.37Å; L19-A22 WeakPolarHBondContact O-CB 3.46Å; L19-A22 PolarHBondContact O-N 2.98Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 2.97Å; A22-Q25 PolarHBondContact O-N 2.83Å; A22-G26 PolarHBondContact O-N 3.48Å; A22-D27 HydrophobicContact CB-CB 4.01Å; A22-D27 PolarHBondContact O-N 3.3Å; A22-Y30 HydrophobicContact CB-CD1 3.69Å; A22-Y30 HydrophobicContact CB-CE1 4.4Å; A22-Y30 HydrophobicContact CB-CG 4.27Å |
| 23 | C | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 113 | L19 L20 C57 | L19-C23 PolarHBondContact O-N 3.21Å; L19-C23 PolarHBondContact O-SG 3.03Å; L20-C23 PolarHBondContact O-N 3Å; C23-C57 PolarHBondContact O-SG 3.29Å; C23-C57 VanDerWaalsContact O-SG 3.37Å |
| 24 | R | 86.1 | Confident | 86.9 | Confident | 90 Ų | 90 | 58 Ų | 58 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.4 | -40.7 | 174.7 | -177.8 | -178.6 | -70.4 | 180 | -2.5 | 112.6 | L20 N21 A22 G26 Y56 | L20-R24 PolarHBondContact O-N 3.33Å; N21-R24 WeakPolarHBondContact O-CB 3.43Å; N21-R24 PolarHBondContact O-N 3.31Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 2.97Å; R24-G26 VanDerWaalsContact C-N 3.31Å; R24-Y56 VanDerWaalsContact CA-O 3.31Å; R24-Y56 WeakPolarHBondContact CA-O 3.24Å; R24-Y56 HydrophobicContact CB-CD1 4.26Å; R24-Y56 VanDerWaalsContact CB-O 3.31Å; R24-Y56 WeakPolarHBondContact CB-O 3.35Å; R24-Y56 VanDerWaalsContact NH2-CD1 3.33Å |
| 25 | Q | 85.3 | Confident | 87.1 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -79.3 | -11.6 | 179.9 | -70.7 | 177.7 | 0.2 | 0 | 0 | 113.7 | N21 A22 R84 | N21-Q25 WeakPolarHBondContact O-CB 3.3Å; N21-Q25 WeakPolarHBondContact O-CG 3.39Å; N21-Q25 PolarHBondContact O-N 3.39Å; A22-Q25 PolarHBondContact O-N 2.83Å; Q25-R84 WeakPolarHBondContact O-CB 3.27Å; Q25-R84 WeakPolarHBondContact O-CG 3.25Å |
| 26 | G | 86 | Confident | 87.1 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 21 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A22 R24 L28 D87 R88 | A22-G26 PolarHBondContact O-N 3.48Å; R24-G26 VanDerWaalsContact C-N 3.31Å; G26-L28 VanDerWaalsContact C-N 3.29Å; G26-L28 PolarHBondContact O-N 2.98Å; G26-D87 WeakPolarHBondContact O-CB 3.34Å; G26-R88 VanDerWaalsContact CA-N 3.35Å |
| 27 | D | 87.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -73.1 | 85.3 | 176.5 | -174.9 | -11 | 0 | 0 | 0 | 110.8 | A22 D29 Y30 L31 | A22-D27 HydrophobicContact CB-CB 4.01Å; A22-D27 PolarHBondContact O-N 3.3Å; D27-D29 VanDerWaalsContact C-N 3.3Å; D27-D29 PolarHBondContact OD1-N 3.37Å; D27-Y30 VanDerWaalsContact CG-CB 3.4Å; D27-Y30 WeakPolarHBondContact OD1-CB 3.43Å; D27-Y30 PolarHBondContact OD1-N 3.4Å; D27-Y30 WeakPolarHBondContact OD2-CB 3.42Å; D27-L31 PolarHBondContact O-N 3.25Å | ||
| 28 | L | 87.2 | Confident | 86.8 | Confident | 57 Ų | 57 | 60 Ų | 60 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.7 | -29.2 | -179.7 | -175.4 | 63.3 | 0 | 0 | 0 | 112.2 | G26 G32 K90 V94 | G26-L28 VanDerWaalsContact C-N 3.29Å; G26-L28 PolarHBondContact O-N 2.98Å; L28-G32 WeakPolarHBondContact O-CA 3.44Å; L28-G32 PolarHBondContact O-N 3Å; L28-K90 HydrophobicContact CD1-CB 4.49Å; L28-K90 HydrophobicContact CD2-CB 4.11Å; L28-K90 HydrophobicContact CD2-CD 4.11Å; L28-V94 HydrophobicContact CD1-CG2 4.07Å |
| 29 | D | 87.9 | Confident | 86.6 | Confident | 137 Ų | 137 | 55.5 Ų | 55.5 | 73% | 0.733 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -72.3 | -43 | -179.4 | -70.7 | -21.4 | 0 | 0 | 0 | 110.6 | D27 G32 K33 | D27-D29 VanDerWaalsContact C-N 3.3Å; D27-D29 PolarHBondContact OD1-N 3.37Å; D29-G32 PolarHBondContact O-N 3.3Å; D29-K33 VanDerWaalsContact O-CB 3.27Å; D29-K33 WeakPolarHBondContact O-CB 3.16Å; D29-K33 PolarHBondContact O-N 3.34Å |
| 30 | Y | 88.4 | Confident | 86.3 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.1 | -168.8 | -94.5 | 0 | 0 | 0 | 112.1 | L19 A22 D27 F34 | L19-Y30 HydrophobicContact CB-CE1 3.98Å; L19-Y30 HydrophobicContact CD1-CD1 3.7Å; L19-Y30 HydrophobicContact CD1-CE1 3.8Å; L19-Y30 HydrophobicContact CG-CE1 4.47Å; A22-Y30 HydrophobicContact CB-CD1 3.69Å; A22-Y30 HydrophobicContact CB-CE1 4.4Å; A22-Y30 HydrophobicContact CB-CG 4.27Å; D27-Y30 VanDerWaalsContact CG-CB 3.4Å; D27-Y30 WeakPolarHBondContact OD1-CB 3.43Å; D27-Y30 PolarHBondContact OD1-N 3.4Å; D27-Y30 WeakPolarHBondContact OD2-CB 3.42Å; Y30-F34 PolarHBondContact O-N 3.41Å |
| 31 | L | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 173.6 | 175.7 | 60.9 | 0 | 0 | 0 | 111.7 | L19 D27 F34 I35 L41 C91 I95 | L19-L31 HydrophobicContact CD1-CD1 4.32Å; D27-L31 PolarHBondContact O-N 3.25Å; L31-F34 PolarHBondContact O-N 3.24Å; L31-I35 HydrophobicContact CD1-CD1 3.93Å; L31-I35 HydrophobicContact CD1-CG1 4.37Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.49Å; L31-I35 VanDerWaalsContact O-N 3.08Å; L31-L41 HydrophobicContact CD1-CD2 3.91Å; L31-C91 HydrophobicContact CD2-CB 3.77Å; L31-I95 HydrophobicContact CD2-CD1 4.17Å; L31-I95 HydrophobicContact CD2-CG1 4.06Å |
| 32 | G | 86.8 | Confident | 86 | Confident | 29 Ų | 29 | 62.2 Ų | 62.2 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L28 D29 F34 I35 V36 | L28-G32 WeakPolarHBondContact O-CA 3.44Å; L28-G32 PolarHBondContact O-N 3Å; D29-G32 PolarHBondContact O-N 3.3Å; G32-F34 PolarHBondContact O-N 2.92Å; G32-I35 PolarHBondContact O-N 3.36Å; G32-V36 WeakPolarHBondContact O-CG2 3.42Å; G32-V36 PolarHBondContact O-N 3.08Å |
| 33 | K | 88.2 | Confident | 85.7 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58 | -48.3 | 174.2 | -177.5 | 175.8 | 179.1 | 179.8 | 0 | 111.9 | D29 I35 V36 D37 | D29-K33 VanDerWaalsContact O-CB 3.27Å; D29-K33 WeakPolarHBondContact O-CB 3.16Å; D29-K33 PolarHBondContact O-N 3.34Å; K33-I35 VanDerWaalsContact C-N 3.28Å; K33-I35 PolarHBondContact O-N 3.27Å; K33-V36 PolarHBondContact O-N 3.17Å; K33-D37 WeakPolarHBondContact O-CB 3.28Å; K33-D37 VanDerWaalsContact O-CG 3.24Å; K33-D37 PolarHBondContact O-N 2.94Å |
| 34 | F | 86.9 | Confident | 85.6 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 178 | 178 | -103.1 | 0 | 0 | 0 | 112.8 | L11 L19 Y30 L31 G32 G39 L41 V44 | L11-F34 HydrophobicContact CD1-CD2 4.34Å; L11-F34 HydrophobicContact CD1-CE2 3.45Å; L11-F34 VanDerWaalsContact CD1-CE2 3.45Å; L11-F34 HydrophobicContact CD1-CZ 3.65Å; L11-F34 HydrophobicContact CD2-CE2 4.24Å; L11-F34 HydrophobicContact CG-CE2 3.99Å; L11-F34 HydrophobicContact CG-CZ 4.49Å; L19-F34 HydrophobicContact CD1-CB 4.31Å; L19-F34 HydrophobicContact CD1-CG 4.46Å; L19-F34 HydrophobicContact CD2-CB 4.4Å; L19-F34 HydrophobicContact CD2-CD1 3.51Å; L19-F34 HydrophobicContact CD2-CD2 4.02Å; L19-F34 HydrophobicContact CD2-CE1 3.65Å; L19-F34 HydrophobicContact CD2-CE2 4.15Å; L19-F34 HydrophobicContact CD2-CG 3.69Å; L19-F34 HydrophobicContact CD2-CZ 3.96Å; Y30-F34 PolarHBondContact O-N 3.41Å; L31-F34 PolarHBondContact O-N 3.24Å; G32-F34 PolarHBondContact O-N 2.92Å; F34-G39 VanDerWaalsContact CE1-C 3.43Å; F34-G39 VanDerWaalsContact O-CA 3.26Å; F34-G39 WeakPolarHBondContact O-CA 3.44Å; F34-G39 PolarHBondContact O-N 2.87Å; F34-L41 HydrophobicContact CD1-CD2 3.86Å; F34-L41 HydrophobicContact CE1-CD2 3.78Å; F34-L41 HydrophobicContact CE1-CG 4.35Å; F34-V44 HydrophobicContact CE1-CG2 4.05Å; F34-V44 HydrophobicContact CZ-CG2 3.94Å |
| 35 | I | 86.3 | Confident | 85.7 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 32% | 0.323 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 177 | -66.1 | 166.7 | 0 | 0 | 0 | 111.1 | L31 G32 K33 G38 L41 V94 | L31-I35 HydrophobicContact CD1-CD1 3.93Å; L31-I35 HydrophobicContact CD1-CG1 4.37Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CG1 3.37Å; L31-I35 PolarHBondContact O-N 3.49Å; L31-I35 VanDerWaalsContact O-N 3.08Å; G32-I35 PolarHBondContact O-N 3.36Å; K33-I35 VanDerWaalsContact C-N 3.28Å; K33-I35 PolarHBondContact O-N 3.27Å; I35-G38 PolarHBondContact O-N 3Å; I35-L41 HydrophobicContact CD1-CD1 4.34Å; I35-L41 HydrophobicContact CG1-CD1 4.46Å; I35-V94 HydrophobicContact CD1-CG1 3.72Å |
| 36 | V | 85.2 | Confident | 85.8 | Confident | 126 Ų | 126 | 57 Ų | 57 | 76% | 0.764 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | G32 K33 G38 | G32-V36 WeakPolarHBondContact O-CG2 3.42Å; G32-V36 PolarHBondContact O-N 3.08Å; K33-V36 PolarHBondContact O-N 3.17Å; V36-G38 PolarHBondContact O-N 3.37Å |
| 37 | D | 86.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 2.2 | 175.9 | -68.8 | -17.5 | 0 | 0 | 0 | 112.9 | I9 K33 | I9-D37 HydrophobicContact CD1-CB 4.32Å; I9-D37 VanDerWaalsContact CD1-O 3.31Å; I9-D37 WeakPolarHBondContact CD1-O 3.46Å; K33-D37 WeakPolarHBondContact O-CB 3.28Å; K33-D37 VanDerWaalsContact O-CG 3.24Å; K33-D37 PolarHBondContact O-N 2.94Å |
| 38 | G | 79.9 | Confident | 85.7 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 16.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I35 V36 N40 | I35-G38 PolarHBondContact O-N 3Å; V36-G38 PolarHBondContact O-N 3.37Å; G38-N40 PolarHBondContact O-N 3Å |
| 39 | G | 82.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | trans | -66.5 | 123.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F34 | F34-G39 VanDerWaalsContact CE1-C 3.43Å; F34-G39 VanDerWaalsContact O-CA 3.26Å; F34-G39 WeakPolarHBondContact O-CA 3.44Å; F34-G39 PolarHBondContact O-N 2.87Å | ||
| 40 | N | 83.4 | Confident | 85.6 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | trans | -89.2 | 109.8 | 177 | -172.2 | -15.4 | 0 | 0 | 0 | 111.1 | G38 R42 N43 | G38-N40 PolarHBondContact O-N 3Å; N40-R42 PolarHBondContact O-N 3.46Å; N40-R42 VanDerWaalsContact O-N 3.14Å; N40-R42 VanDerWaalsContact OD1-CB 3.31Å; N40-R42 WeakPolarHBondContact OD1-CB 3.5Å; N40-R42 WeakPolarHBondContact OD1-CG 3.3Å; N40-R42 PolarHBondContact OD1-N 2.86Å; N40-N43 PolarHBondContact O-N 3.44Å; N40-N43 VanDerWaalsContact O-N 3.14Å | ||
| 41 | L | 85.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -58.4 | -24.9 | 179.5 | -64.8 | 171.7 | 0 | 0 | 0 | 113.4 | L19 L31 F34 I35 N43 V44 T53 I95 F102 | L19-L41 HydrophobicContact CD2-CD2 4.47Å; L31-L41 HydrophobicContact CD1-CD2 3.91Å; F34-L41 HydrophobicContact CD1-CD2 3.86Å; F34-L41 HydrophobicContact CE1-CD2 3.78Å; F34-L41 HydrophobicContact CE1-CG 4.35Å; I35-L41 HydrophobicContact CD1-CD1 4.34Å; I35-L41 HydrophobicContact CG1-CD1 4.46Å; L41-N43 PolarHBondContact O-N 3.36Å; L41-N43 VanDerWaalsContact O-N 3.16Å; L41-V44 WeakPolarHBondContact O-CB 3.49Å; L41-V44 PolarHBondContact O-N 2.68Å; L41-T53 HydrophobicContact CD2-CG2 4.17Å; L41-I95 HydrophobicContact CD1-CG1 4.42Å; L41-F102 HydrophobicContact CB-CE2 3.99Å; L41-F102 HydrophobicContact CB-CZ 4.08Å |
| 42 | R | 82.8 | Confident | 85.9 | Confident | 135 Ų | 135 | 54.4 Ų | 54.4 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -61.5 | -22.7 | 177.4 | -63.5 | -178.5 | 174.3 | 172.3 | -0.1 | 113.6 | N40 V44 N99 E101 F102 | N40-R42 PolarHBondContact O-N 3.46Å; N40-R42 VanDerWaalsContact O-N 3.14Å; N40-R42 VanDerWaalsContact OD1-CB 3.31Å; N40-R42 WeakPolarHBondContact OD1-CB 3.5Å; N40-R42 WeakPolarHBondContact OD1-CG 3.3Å; N40-R42 PolarHBondContact OD1-N 2.86Å; R42-V44 VanDerWaalsContact C-N 3.33Å; R42-N99 PolarHBondContact NE-OD1 3.04Å; R42-E101 IonicContact CZ-OE1 3.31Å; R42-E101 IonicContact NE-OE1 2.68Å; R42-E101 PolarHBondContact NE-OE1 3.26Å; R42-E101 VanDerWaalsContact NH2-CD 3.28Å; R42-E101 IonicContact NH2-OE1 3.85Å; R42-E101 PolarHBondContact NH2-OE1 2.98Å; R42-E101 IonicContact NH2-OE2 3.14Å; R42-F102 HydrophobicContact CG-CE1 4.12Å; R42-F102 HydrophobicContact CG-CZ 4.27Å |
| 43 | N | 81.9 | Confident | 86 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -85.8 | -6.6 | 176.1 | -64.8 | -10.6 | 0 | 0 | 0 | 112.8 | K16 N40 L41 I45 | K16-N43 VanDerWaalsContact CE-O 3.25Å; K16-N43 WeakPolarHBondContact CE-O 3.44Å; K16-N43 PolarHBondContact NZ-O 2.9Å; N40-N43 PolarHBondContact O-N 3.44Å; N40-N43 VanDerWaalsContact O-N 3.14Å; L41-N43 PolarHBondContact O-N 3.36Å; L41-N43 VanDerWaalsContact O-N 3.16Å; N43-I45 PolarHBondContact O-N 3.28Å |
| 44 | V | 86.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -100.5 | 75.1 | -173.9 | -168.6 | 0 | 0 | 0 | 0 | 109.6 | L11 K16 L19 L20 F34 L41 R42 T53 | L11-V44 HydrophobicContact CD1-CG2 3.83Å; K16-V44 HydrophobicContact CB-CG1 4.46Å; L19-V44 HydrophobicContact CB-CG1 4.39Å; L19-V44 HydrophobicContact CD2-CB 4.44Å; L19-V44 HydrophobicContact CD2-CG1 3.87Å; L19-V44 HydrophobicContact CD2-CG2 3.84Å; L19-V44 HydrophobicContact CG-CG1 4.21Å; L20-V44 HydrophobicContact CD2-CG1 4.07Å; L20-V44 HydrophobicContact CG-CG1 4.03Å; F34-V44 HydrophobicContact CE1-CG2 4.05Å; F34-V44 HydrophobicContact CZ-CG2 3.94Å; L41-V44 WeakPolarHBondContact O-CB 3.49Å; L41-V44 PolarHBondContact O-N 2.68Å; R42-V44 VanDerWaalsContact C-N 3.33Å; V44-T53 HydrophobicContact CB-CG2 4.03Å; V44-T53 HydrophobicContact CG1-CG2 3.74Å | ||
| 45 | I | 87.4 | Confident | 86.4 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -118.9 | 139.2 | 175.8 | -58.4 | 166.6 | 0 | 0 | 0 | 107.3 | N43 N47 Q51 T52 Y105 | N43-I45 PolarHBondContact O-N 3.28Å; I45-N47 PolarHBondContact O-N 3.15Å; I45-Q51 WeakPolarHBondContact CA-O 3.44Å; I45-T52 HydrophobicContact CG1-CG2 4.41Å; I45-Y105 HydrophobicContact CD1-CE2 4.42Å |
| 46 | D | 87.5 | Confident | 86.6 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | trans | -71.1 | 116.7 | 170.7 | 177.6 | 15.3 | 0 | 0 | 0 | 110.1 | L20 Q48 T49 G50 Q51 Y56 | L20-D46 HydrophobicContact CD1-CB 3.84Å; D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 PolarHBondContact OD1-N 2.62Å; D46-T49 WeakPolarHBondContact CB-OG1 3.37Å; D46-T49 WeakPolarHBondContact OD2-CB 3.4Å; D46-T49 VanDerWaalsContact OD2-CG2 3.29Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.37Å; D46-T49 PolarHBondContact OD2-N 3.19Å; D46-T49 PolarHBondContact OD2-OG1 2.74Å; D46-G50 VanDerWaalsContact O-CA 3.26Å; D46-G50 WeakPolarHBondContact O-CA 3.46Å; D46-G50 PolarHBondContact O-N 3.44Å; D46-Q51 PolarHBondContact N-O 3.27Å; D46-Y56 HydrophobicContact CB-CE2 4.06Å; D46-Y56 PolarHBondContact OD2-OH 3.06Å | ||
| 47 | N | 86 | Confident | 86.8 | Confident | 82 Ų | 82 | 37.2 Ų | 37.2 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.8 | 179 | -55.6 | -27.3 | 0 | 0 | 0 | 113.4 | N13 I45 | N13-N47 VanDerWaalsContact CG-ND2 3.27Å; N13-N47 PolarHBondContact ND2-ND2 3.38Å; N13-N47 PolarHBondContact OD1-ND2 3.28Å; I45-N47 PolarHBondContact O-N 3.15Å |
| 48 | Q | 85.2 | Confident | 86.9 | Confident | 171 Ų | 171 | 32.8 Ų | 32.8 | 80% | 0.799 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -42.4 | 179 | -63.5 | -172 | -11.6 | 0 | 0 | 112.3 | D46 Y108 | D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 PolarHBondContact OD1-N 2.62Å; Q48-Y108 WeakPolarHBondContact O-CD2 3.39Å |
| 49 | T | 85.6 | Confident | 86.8 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 24% | 0.239 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -16 | -175.4 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | D46 Q51 D107 Y108 | D46-T49 WeakPolarHBondContact CB-OG1 3.37Å; D46-T49 WeakPolarHBondContact OD2-CB 3.4Å; D46-T49 VanDerWaalsContact OD2-CG2 3.29Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.37Å; D46-T49 PolarHBondContact OD2-N 3.19Å; D46-T49 PolarHBondContact OD2-OG1 2.74Å; T49-Q51 VanDerWaalsContact C-N 3.26Å; T49-Q51 VanDerWaalsContact OG1-CB 3.27Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.23Å; T49-Q51 VanDerWaalsContact OG1-CG 3.26Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.45Å; T49-Q51 PolarHBondContact OG1-N 2.93Å; T49-D107 WeakPolarHBondContact O-CB 3.45Å; T49-Y108 VanDerWaalsContact C-CD2 3.41Å; T49-Y108 WeakPolarHBondContact O-CB 3.48Å; T49-Y108 PolarHBondContact O-N 3.11Å |
| 50 | G | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | 78.2 | 6.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | D46 Y108 | D46-G50 VanDerWaalsContact O-CA 3.26Å; D46-G50 WeakPolarHBondContact O-CA 3.46Å; D46-G50 PolarHBondContact O-N 3.44Å; G50-Y108 VanDerWaalsContact CA-CE1 3.47Å | ||
| 51 | Q | 91.1 | Very high | 84.8 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -78.6 | 136.3 | -173.2 | -72.6 | 178.9 | 2.7 | 0 | 0 | 112.7 | I45 D46 T49 H55 Y56 D107 | I45-Q51 WeakPolarHBondContact CA-O 3.44Å; D46-Q51 PolarHBondContact N-O 3.27Å; T49-Q51 VanDerWaalsContact C-N 3.26Å; T49-Q51 VanDerWaalsContact OG1-CB 3.27Å; T49-Q51 WeakPolarHBondContact OG1-CB 3.23Å; T49-Q51 VanDerWaalsContact OG1-CG 3.26Å; T49-Q51 WeakPolarHBondContact OG1-CG 3.45Å; T49-Q51 PolarHBondContact OG1-N 2.93Å; Q51-H55 HydrophobicContact CB-CB 3.67Å; Q51-H55 HydrophobicContact CG-CB 3.85Å; Q51-Y56 HydrophobicContact CB-CD2 3.98Å; Q51-Y56 HydrophobicContact CB-CE2 3.82Å; Q51-D107 HydrophobicContact CG-CB 3.69Å; Q51-D107 PolarHBondContact NE2-OD2 3.44Å | ||
| 52 | T | 91.4 | Very high | 83 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -83 | 172.8 | 172.5 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | I45 L54 H55 Y56 F102 Y105 | I45-T52 HydrophobicContact CG1-CG2 4.41Å; T52-L54 PolarHBondContact O-N 3.37Å; T52-L54 PolarHBondContact OG1-N 3.35Å; T52-H55 PolarHBondContact N-ND1 3.17Å; T52-H55 VanDerWaalsContact N-ND1 3.19Å; T52-H55 WeakPolarHBondContact O-CB 3.5Å; T52-H55 PolarHBondContact O-N 2.97Å; T52-H55 VanDerWaalsContact O-N 3.08Å; T52-H55 PolarHBondContact OG1-ND1 3.5Å; T52-Y56 PolarHBondContact O-N 3.32Å; T52-F102 HydrophobicContact CG2-CD1 4.35Å; T52-F102 HydrophobicContact CG2-CG 4.46Å; T52-Y105 HydrophobicContact CG2-CD1 3.49Å; T52-Y105 VanDerWaalsContact CG2-CD1 3.49Å; T52-Y105 HydrophobicContact CG2-CD2 4.29Å; T52-Y105 HydrophobicContact CG2-CE1 4.03Å; T52-Y105 HydrophobicContact CG2-CG 3.64Å |
| 53 | T | 89.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.1 | -36.7 | 171 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | L20 L41 V44 Y56 C57 F102 | L20-T53 HydrophobicContact CD2-CG2 3.77Å; L41-T53 HydrophobicContact CD2-CG2 4.17Å; V44-T53 HydrophobicContact CB-CG2 4.03Å; V44-T53 HydrophobicContact CG1-CG2 3.74Å; T53-Y56 PolarHBondContact O-N 3.34Å; T53-C57 PolarHBondContact O-N 2.96Å; T53-C57 PolarHBondContact O-SG 2.71Å; T53-C57 VanDerWaalsContact O-SG 3.41Å; T53-F102 WeakPolarHBondContact OG1-CE2 3.33Å |
| 54 | L | 91.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -32.5 | 179.1 | -167.8 | 59.1 | 0 | 0 | 0 | 113.1 | T52 Y56 C57 T92 I95 I96 F102 L103 P113 F125 | T52-L54 PolarHBondContact O-N 3.37Å; T52-L54 PolarHBondContact OG1-N 3.35Å; L54-Y56 VanDerWaalsContact C-N 3.33Å; L54-C57 PolarHBondContact O-N 3.49Å; L54-T92 HydrophobicContact CD1-CG2 3.94Å; L54-I95 HydrophobicContact CB-CG2 4.02Å; L54-I95 HydrophobicContact CD1-CB 4.48Å; L54-I95 HydrophobicContact CD1-CG2 4.12Å; L54-I96 HydrophobicContact CD1-CD1 4.28Å; L54-I96 HydrophobicContact CD1-CG1 3.92Å; L54-I96 HydrophobicContact CD2-CG1 4.03Å; L54-F102 HydrophobicContact CB-CB 3.93Å; L54-F102 HydrophobicContact CB-CD2 4.28Å; L54-F102 HydrophobicContact CD2-CB 3.76Å; L54-L103 HydrophobicContact CD2-CD2 3.75Å; L54-L103 HydrophobicContact CD2-CG 4.02Å; L54-P113 HydrophobicContact CB-CG 4.07Å; L54-P113 HydrophobicContact CD2-CB 4.33Å; L54-P113 HydrophobicContact CD2-CG 4.05Å; L54-P113 HydrophobicContact CG-CB 3.97Å; L54-P113 HydrophobicContact CG-CG 3.9Å; L54-F125 HydrophobicContact CD1-CE2 4.05Å; L54-F125 HydrophobicContact CD1-CZ 3.92Å; L54-F125 HydrophobicContact CG-CZ 4.14Å |
| 55 | H | 92 | Very high | 77.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 171.9 | -68.7 | 79.5 | 0 | 0 | 0 | 111.2 | Q51 T52 C57 V58 Y105 F111 P113 L116 | Q51-H55 HydrophobicContact CB-CB 3.67Å; Q51-H55 HydrophobicContact CG-CB 3.85Å; T52-H55 PolarHBondContact N-ND1 3.17Å; T52-H55 VanDerWaalsContact N-ND1 3.19Å; T52-H55 WeakPolarHBondContact O-CB 3.5Å; T52-H55 PolarHBondContact O-N 2.97Å; T52-H55 VanDerWaalsContact O-N 3.08Å; T52-H55 PolarHBondContact OG1-ND1 3.5Å; H55-C57 VanDerWaalsContact C-N 3.28Å; H55-C57 PolarHBondContact O-N 3.16Å; H55-V58 WeakPolarHBondContact O-CB 3.32Å; H55-V58 PolarHBondContact O-N 3.46Å; H55-Y105 PolarHBondContact CE1-O 3.01Å; H55-Y105 PolarHBondContact NE2-O 2.78Å; H55-F111 PolarHBondContact NE2-O 2.83Å; H55-P113 VanDerWaalsContact CE1-CD 3.49Å; H55-P113 WeakPolarHBondContact CE1-CD 3.34Å; H55-L116 HydrophobicContact CB-CD1 4.25Å |
| 56 | Y | 89.4 | Confident | 74.9 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.3 | -22 | 177.1 | -91.2 | -109.4 | 0 | 0 | 0 | 113.7 | L20 R24 D46 Q51 T52 T53 L54 V58 | L20-Y56 HydrophobicContact CB-CD1 3.67Å; L20-Y56 HydrophobicContact CB-CD2 4.15Å; L20-Y56 HydrophobicContact CB-CE1 3.75Å; L20-Y56 HydrophobicContact CB-CE2 4.23Å; L20-Y56 HydrophobicContact CB-CG 3.86Å; L20-Y56 HydrophobicContact CD1-CD2 4.43Å; L20-Y56 HydrophobicContact CD1-CE2 4.02Å; L20-Y56 HydrophobicContact CD2-CD2 3.85Å; L20-Y56 HydrophobicContact CD2-CE2 4.26Å; L20-Y56 HydrophobicContact CD2-CG 4.12Å; L20-Y56 HydrophobicContact CG-CD2 4.37Å; L20-Y56 HydrophobicContact CG-CE2 4.41Å; L20-Y56 WeakPolarHBondContact O-CD1 3.47Å; R24-Y56 VanDerWaalsContact CA-O 3.31Å; R24-Y56 WeakPolarHBondContact CA-O 3.24Å; R24-Y56 HydrophobicContact CB-CD1 4.26Å; R24-Y56 VanDerWaalsContact CB-O 3.31Å; R24-Y56 WeakPolarHBondContact CB-O 3.35Å; R24-Y56 VanDerWaalsContact NH2-CD1 3.33Å; D46-Y56 HydrophobicContact CB-CE2 4.06Å; D46-Y56 PolarHBondContact OD2-OH 3.06Å; Q51-Y56 HydrophobicContact CB-CD2 3.98Å; Q51-Y56 HydrophobicContact CB-CE2 3.82Å; T52-Y56 PolarHBondContact O-N 3.32Å; T53-Y56 PolarHBondContact O-N 3.34Å; L54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-V58 VanDerWaalsContact C-N 3.25Å; Y56-V58 PolarHBondContact O-N 3.05Å |
| 57 | C | 90.1 | Very high | 72.5 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 1.8 | 173.2 | -67.4 | 0 | 0 | 0 | 0 | 114.5 | C23 T53 L54 H55 R88 T92 I95 F125 | C23-C57 PolarHBondContact O-SG 3.29Å; C23-C57 VanDerWaalsContact O-SG 3.37Å; T53-C57 PolarHBondContact O-N 2.96Å; T53-C57 PolarHBondContact O-SG 2.71Å; T53-C57 VanDerWaalsContact O-SG 3.41Å; L54-C57 PolarHBondContact O-N 3.49Å; H55-C57 VanDerWaalsContact C-N 3.28Å; H55-C57 PolarHBondContact O-N 3.16Å; C57-R88 HydrophobicContact CB-CG 4.21Å; C57-R88 WeakPolarHBondContact O-CD 3.45Å; C57-R88 WeakPolarHBondContact O-CG 3.48Å; C57-R88 PolarHBondContact O-NE 3.33Å; C57-T92 WeakPolarHBondContact CB-OG1 3.4Å; C57-I95 VanDerWaalsContact SG-CD1 3.59Å; C57-F125 HydrophobicContact CB-CE2 4.28Å |
| 58 | V | 89.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -85.8 | 139.1 | 171.1 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | H55 Y56 F60 P113 L116 A117 D122 F125 | H55-V58 WeakPolarHBondContact O-CB 3.32Å; H55-V58 PolarHBondContact O-N 3.46Å; Y56-V58 VanDerWaalsContact C-N 3.25Å; Y56-V58 PolarHBondContact O-N 3.05Å; V58-F60 WeakPolarHBondContact O-CD2 3.21Å; V58-F60 PolarHBondContact O-N 3.46Å; V58-P113 HydrophobicContact CG2-CB 4.28Å; V58-P113 WeakPolarHBondContact CG2-O 3.37Å; V58-L116 HydrophobicContact CB-CB 4.48Å; V58-L116 HydrophobicContact CG1-CB 4.07Å; V58-L116 HydrophobicContact CG2-CB 4.4Å; V58-A117 HydrophobicContact CG1-CB 4.1Å; V58-A117 HydrophobicContact CG2-CB 4.41Å; V58-D122 HydrophobicContact CG1-CB 4.35Å; V58-F125 HydrophobicContact CG2-CD1 4.48Å; V58-F125 HydrophobicContact CG2-CD2 4.15Å; V58-F125 HydrophobicContact CG2-CE1 4.15Å; V58-F125 HydrophobicContact CG2-CE2 3.8Å; V58-F125 HydrophobicContact CG2-CG 4.48Å; V58-F125 HydrophobicContact CG2-CZ 3.81Å |
| 59 | K | 77.2 | Confident | 68 | Low | 86 Ų | 86 | 68 Ų | 68 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 125.8 | 171.9 | -169.1 | 177.1 | -179.7 | -176.7 | 0 | 110 | H120 D122 | K59-H120 WeakPolarHBondContact O-CB 3.34Å; K59-H120 VanDerWaalsContact O-CG 3.27Å; K59-D122 HydrophobicContact CB-CB 4Å; K59-D122 VanDerWaalsContact CB-OD2 3.29Å; K59-D122 WeakPolarHBondContact CB-OD2 3.48Å; K59-D122 PolarHBondContact N-OD2 3.24Å |
| 60 | F | 67.8 | Low | 65.9 | Low | 70 Ų | 70 | 71 Ų | 71 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 148.4 | 163.3 | -72.5 | -94.2 | 0 | 0 | 0 | 108.9 | V58 L116 H120 | V58-F60 WeakPolarHBondContact O-CD2 3.21Å; V58-F60 PolarHBondContact O-N 3.46Å; F60-L116 HydrophobicContact CZ-CD1 4.37Å; F60-H120 AromaticContact CD1-CE1 3.58Å; F60-H120 AromaticContact CD1-NE2 3.45Å; F60-H120 WeakPolarHBondContact CD1-NE2 3.28Å; F60-H120 AromaticContact CE1-CE1 3.6Å; F60-H120 AromaticContact CE1-NE2 3.86Å |
| 61 | G | 55.2 | Low | 63.8 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -57.5 | 145.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E63 | G61-E63 PolarHBondContact O-N 2.94Š|
| 62 | E | 47.6 | Very low | 61.6 | Low | 147 Ų | 147 | 86 Ų | 86 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | trans | 29.8 | 80.7 | 178.9 | -68.7 | -175.3 | -170.8 | 0 | 0 | 115.6 | K64 | E62-K64 HydrophobicContact CB-CG 4.02Å; E62-K64 PolarHBondContact O-N 2.78Å; E62-K64 WeakPolarHBondContact OE2-CE 3.45Å | ||
| 63 | E | 51 | Low | 59.5 | Low | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | trans | -58.6 | 87.9 | 140.5 | -73.7 | -173.4 | 143.5 | 0 | 0 | 106.9 | G61 I65 Q85 | G61-E63 PolarHBondContact O-N 2.94Å; E63-I65 PolarHBondContact O-N 3.11Å; E63-Q85 PolarHBondContact OE2-NE2 2.82Å | ||
| 64 | K | 40.2 | Very low | 57.4 | Low | 155 Ų | 155 | 99.6 Ų | 99.6 | 67% | 0.674 | 49% | 0.494 | S | S | * | . | trans | -58.8 | 115.7 | 179.3 | -72.3 | -173.1 | 174.6 | -176.1 | 0 | 108.4 | E62 I66 | E62-K64 HydrophobicContact CB-CG 4.02Å; E62-K64 PolarHBondContact O-N 2.78Å; E62-K64 WeakPolarHBondContact OE2-CE 3.45Å; K64-I66 PolarHBondContact O-N 3.26Å | ||
| 65 | I | 43 | Very low | 55.4 | Low | 95 Ų | 95 | 103.2 Ų | 103.2 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | trans | -54.4 | 114.9 | 155.8 | -55.1 | 173.8 | 0 | 0 | 0 | 104.5 | E63 D67 | E63-I65 PolarHBondContact O-N 3.11Å; I65-D67 WeakPolarHBondContact CG2-OD1 3.35Å; I65-D67 PolarHBondContact O-N 3.04Å | ||
| 66 | I | 35.4 | Very low | 53.7 | Low | 144 Ų | 144 | 105.4 Ų | 105.4 | 74% | 0.738 | 54% | 0.536 | S | S | * | . | trans | -76.3 | 93.6 | 172.1 | -58.3 | 178 | 0 | 0 | 0 | 104.4 | K64 E68 | K64-I66 PolarHBondContact O-N 3.26Å; I66-E68 HydrophobicContact CG2-CG 4.11Å; I66-E68 PolarHBondContact O-N 3.26Å | ||
| 67 | D | 36 | Very low | 52.4 | Low | 136 Ų | 136 | 109.9 Ų | 109.9 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -67.2 | 72.6 | 171.2 | -65.5 | -30.1 | 0 | 0 | 0 | 109.4 | I65 | I65-D67 WeakPolarHBondContact CG2-OD1 3.35Å; I65-D67 PolarHBondContact O-N 3.04Å | ||
| 68 | E | 38.8 | Very low | 51.1 | Low | 156 Ų | 156 | 111.5 Ų | 111.5 | 73% | 0.729 | 57% | 0.569 | S | S | * | * | trans | -63 | 131.2 | 153.1 | -72.7 | -168.1 | 161.8 | 0 | 0 | 107.5 | I66 D70 | I66-E68 HydrophobicContact CG2-CG 4.11Å; I66-E68 PolarHBondContact O-N 3.26Å; E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.32Å | ||
| 69 | K | 38.2 | Very low | 50.3 | Low | 207 Ų | 207 | 116.9 Ų | 116.9 | 90% | 0.9 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -75.1 | 68.6 | -162.6 | -61.3 | 178 | 176.5 | -178 | 0 | 113.4 | ||
| 70 | D | 42 | Very low | 50.1 | Low | 102 Ų | 102 | 117.4 Ų | 117.4 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -116.4 | 104.3 | 173.5 | -90.6 | -54.2 | 0 | 0 | 0 | 111.2 | E68 K72 | E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.32Å; D70-K72 PolarHBondContact O-N 3.04Å | ||
| 71 | D | 43.8 | Very low | 50.5 | Low | 171 Ų | 171 | 116.3 Ų | 116.3 | 91% | 0.914 | 60% | 0.598 | S | S | * | * | trans | -67.9 | 61 | 174.3 | -70 | -56 | 0 | 0 | 0 | 112.3 | ||||
| 72 | K | 44.1 | Very low | 51.6 | Low | 158 Ų | 158 | 120.7 Ų | 120.7 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -141.1 | 139.1 | 179.5 | -65.2 | 177.7 | -173.2 | 145.5 | 0 | 110.2 | D70 | D70-K72 PolarHBondContact O-N 3.04Š|
| 73 | K | 47.4 | Very low | 53.2 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -13.6 | 138.7 | 176.1 | -65 | 176.2 | 178.4 | 179 | 0 | 115.7 | N75 | K73-N75 PolarHBondContact O-N 3.28Å; K73-N75 VanDerWaalsContact O-N 3.1Å |
| 74 | P | 46.6 | Very low | 54.7 | Low | 97 Ų | 97 | 118 Ų | 118 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -40.5 | 116.8 | -170.9 | 18.4 | -33.9 | 0 | 0 | 0 | 111 | D78 | P74-D78 WeakPolarHBondContact CA-OD2 3.33Å; P74-D78 HydrophobicContact CB-CB 4.41Å |
| 75 | N | 47.9 | Very low | 56.8 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | trans | -62.2 | 154.6 | -167.3 | -83.7 | -49.3 | 0 | 0 | 0 | 109 | K73 N77 D78 | K73-N75 PolarHBondContact O-N 3.28Å; K73-N75 VanDerWaalsContact O-N 3.1Å; N75-N77 PolarHBondContact O-N 3.06Å; N75-D78 PolarHBondContact N-OD2 3.43Å; N75-D78 WeakPolarHBondContact O-CB 3.28Å; N75-D78 PolarHBondContact O-N 2.92Å | ||
| 76 | G | 57.7 | Low | 58.9 | Low | 46 Ų | 46 | 112.6 Ų | 112.6 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -55.5 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q80 | G76-Q80 VanDerWaalsContact O-CG 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.48Å; G76-Q80 PolarHBondContact O-N 3.04Å; G76-Q80 PolarHBondContact O-NE2 3.15Å |
| 77 | N | 60.4 | Low | 61.4 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 57% | 0.572 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 171.6 | -63.5 | -14.7 | 0 | 0 | 0 | 112.9 | N75 Q80 I81 | N75-N77 PolarHBondContact O-N 3.06Å; N77-Q80 WeakPolarHBondContact O-CB 3.31Å; N77-Q80 PolarHBondContact O-N 3.33Å; N77-I81 VanDerWaalsContact O-CG1 3.3Å; N77-I81 WeakPolarHBondContact O-CG1 3.23Å; N77-I81 PolarHBondContact O-N 2.85Å |
| 78 | D | 63 | Low | 64 | Low | 34 Ų | 34 | 101 Ų | 101 | 18% | 0.182 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | -178.6 | -55.3 | -28.9 | 0 | 0 | 0 | 110 | P74 N75 Q80 I81 F82 | P74-D78 WeakPolarHBondContact CA-OD2 3.33Å; P74-D78 HydrophobicContact CB-CB 4.41Å; N75-D78 PolarHBondContact N-OD2 3.43Å; N75-D78 WeakPolarHBondContact O-CB 3.28Å; N75-D78 PolarHBondContact O-N 2.92Å; D78-Q80 VanDerWaalsContact C-N 3.28Å; D78-Q80 PolarHBondContact O-N 3.47Å; D78-I81 PolarHBondContact O-N 3.38Å; D78-F82 HydrophobicContact CB-CD2 4.49Å; D78-F82 HydrophobicContact CB-CE2 4.35Å; D78-F82 WeakPolarHBondContact O-CD2 3.32Å; D78-F82 PolarHBondContact O-N 3.38Å |
| 79 | I | 72.3 | Confident | 66.5 | Low | 113 Ų | 113 | 94.4 Ų | 94.4 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.9 | -42.5 | 175.8 | -58.9 | 175.5 | 0 | 0 | 0 | 110.5 | Q83 | I79-Q83 VanDerWaalsContact O-CB 3.25Å; I79-Q83 WeakPolarHBondContact O-CB 3.38Å; I79-Q83 PolarHBondContact O-N 2.85Å |
| 80 | Q | 73.9 | Confident | 69 | Low | 97 Ų | 97 | 88.7 Ų | 88.7 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.2 | -74.7 | 173.2 | 49.8 | 0 | 0 | 112.7 | G76 N77 D78 R84 | G76-Q80 VanDerWaalsContact O-CG 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.48Å; G76-Q80 PolarHBondContact O-N 3.04Å; G76-Q80 PolarHBondContact O-NE2 3.15Å; N77-Q80 WeakPolarHBondContact O-CB 3.31Å; N77-Q80 PolarHBondContact O-N 3.33Å; D78-Q80 VanDerWaalsContact C-N 3.28Å; D78-Q80 PolarHBondContact O-N 3.47Å; Q80-R84 WeakPolarHBondContact O-CB 3.43Å; Q80-R84 VanDerWaalsContact O-CG 3.23Å; Q80-R84 WeakPolarHBondContact O-CG 3.19Å; Q80-R84 PolarHBondContact O-N 3.3Å |
| 81 | I | 75.9 | Confident | 71.2 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.3 | -51.6 | 176.2 | -67.4 | 161.1 | 0 | 0 | 0 | 109.7 | N77 D78 Q83 R84 Q85 | N77-I81 VanDerWaalsContact O-CG1 3.3Å; N77-I81 WeakPolarHBondContact O-CG1 3.23Å; N77-I81 PolarHBondContact O-N 2.85Å; D78-I81 PolarHBondContact O-N 3.38Å; I81-Q83 VanDerWaalsContact C-N 3.28Å; I81-Q83 PolarHBondContact O-N 2.6Å; I81-R84 PolarHBondContact O-N 3.18Å; I81-Q85 HydrophobicContact CG2-CG 4.31Å; I81-Q85 WeakPolarHBondContact O-CG 3.11Å; I81-Q85 PolarHBondContact O-N 2.76Å |
| 82 | F | 77.8 | Confident | 73.5 | Confident | 149 Ų | 149 | 75.7 Ų | 75.7 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.2 | -42.8 | 176.4 | -74 | -65.8 | 0 | 0 | 0 | 112.1 | D78 Q85 L86 | D78-F82 HydrophobicContact CB-CD2 4.49Å; D78-F82 HydrophobicContact CB-CE2 4.35Å; D78-F82 WeakPolarHBondContact O-CD2 3.32Å; D78-F82 PolarHBondContact O-N 3.38Å; F82-Q85 PolarHBondContact O-N 3.36Å; F82-L86 WeakPolarHBondContact O-CG 3.48Å; F82-L86 PolarHBondContact O-N 3.1Å |
| 83 | Q | 80.9 | Confident | 75.8 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.1 | -173.1 | 57.4 | 40.6 | 0 | 0 | 112 | I79 I81 Q85 L86 D87 | I79-Q83 VanDerWaalsContact O-CB 3.25Å; I79-Q83 WeakPolarHBondContact O-CB 3.38Å; I79-Q83 PolarHBondContact O-N 2.85Å; I81-Q83 VanDerWaalsContact C-N 3.28Å; I81-Q83 PolarHBondContact O-N 2.6Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 3.12Å; Q83-L86 PolarHBondContact O-N 3.18Å; Q83-D87 WeakPolarHBondContact CG-OD2 3.17Å; Q83-D87 VanDerWaalsContact NE2-CG 3.27Å; Q83-D87 PolarHBondContact NE2-OD1 2.97Å; Q83-D87 VanDerWaalsContact NE2-OD1 3.12Å; Q83-D87 PolarHBondContact NE2-OD2 3.22Å; Q83-D87 PolarHBondContact O-N 3.09Å |
| 84 | R | 83.6 | Confident | 77.8 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.7 | -74.9 | 173.1 | -171.9 | 167.8 | 7.7 | 112.6 | Q25 Q80 I81 D87 R88 | Q25-R84 WeakPolarHBondContact O-CB 3.27Å; Q25-R84 WeakPolarHBondContact O-CG 3.25Å; Q80-R84 WeakPolarHBondContact O-CB 3.43Å; Q80-R84 VanDerWaalsContact O-CG 3.23Å; Q80-R84 WeakPolarHBondContact O-CG 3.19Å; Q80-R84 PolarHBondContact O-N 3.3Å; I81-R84 PolarHBondContact O-N 3.18Å; R84-D87 PolarHBondContact O-N 2.81Å; R84-R88 WeakPolarHBondContact O-CB 3.4Å; R84-R88 PolarHBondContact O-N 3.48Å |
| 85 | Q | 83.9 | Confident | 79.9 | Confident | 39 Ų | 39 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.8 | -60.9 | -82.2 | -39.6 | 0 | 0 | 110.6 | E63 I81 F82 Q83 R88 L89 | E63-Q85 PolarHBondContact OE2-NE2 2.82Å; I81-Q85 HydrophobicContact CG2-CG 4.31Å; I81-Q85 WeakPolarHBondContact O-CG 3.11Å; I81-Q85 PolarHBondContact O-N 2.76Å; F82-Q85 PolarHBondContact O-N 3.36Å; Q83-Q85 VanDerWaalsContact C-N 3.31Å; Q83-Q85 PolarHBondContact O-N 3.12Å; Q85-R88 VanDerWaalsContact CD-NH1 3.25Å; Q85-L89 WeakPolarHBondContact O-CG 3.28Å; Q85-L89 PolarHBondContact O-N 3.19Å |
| 86 | L | 86.6 | Confident | 81.8 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.1 | -70.1 | 173.2 | 0 | 0 | 0 | 112.8 | F82 Q83 L89 K90 | F82-L86 WeakPolarHBondContact O-CG 3.48Å; F82-L86 PolarHBondContact O-N 3.1Å; Q83-L86 PolarHBondContact O-N 3.18Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.28Å; L86-K90 PolarHBondContact O-N 3.05Å; L86-K90 VanDerWaalsContact O-N 3.09Å |
| 87 | D | 88.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.1 | -29 | -178.6 | -63.7 | -34.5 | 0 | 0 | 0 | 112.4 | G26 Q83 R84 L89 K90 C91 | G26-D87 WeakPolarHBondContact O-CB 3.34Å; Q83-D87 WeakPolarHBondContact CG-OD2 3.17Å; Q83-D87 VanDerWaalsContact NE2-CG 3.27Å; Q83-D87 PolarHBondContact NE2-OD1 2.97Å; Q83-D87 VanDerWaalsContact NE2-OD1 3.12Å; Q83-D87 PolarHBondContact NE2-OD2 3.22Å; Q83-D87 PolarHBondContact O-N 3.09Å; R84-D87 PolarHBondContact O-N 2.81Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 PolarHBondContact O-N 3.42Å; D87-K90 WeakPolarHBondContact O-CB 3.49Å; D87-K90 PolarHBondContact O-N 3.35Å; D87-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 VanDerWaalsContact OD1-CD 3.32Å; D87-K90 WeakPolarHBondContact OD1-CD 3.5Å; D87-K90 WeakPolarHBondContact OD1-CE 3.31Å; D87-K90 IonicContact OD1-NZ 2.7Å; D87-K90 PolarHBondContact OD1-NZ 3.49Å; D87-C91 PolarHBondContact O-N 3.29Å; D87-C91 PolarHBondContact O-SG 2.89Å |
| 88 | R | 91.3 | Very high | 84.5 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -45.8 | 165.2 | -170.6 | -174.4 | 82.5 | -127.7 | -4.8 | 110.6 | G26 C57 R84 Q85 K90 C91 T92 D122 | G26-R88 VanDerWaalsContact CA-N 3.35Å; C57-R88 HydrophobicContact CB-CG 4.21Å; C57-R88 WeakPolarHBondContact O-CD 3.45Å; C57-R88 WeakPolarHBondContact O-CG 3.48Å; C57-R88 PolarHBondContact O-NE 3.33Å; R84-R88 WeakPolarHBondContact O-CB 3.4Å; R84-R88 PolarHBondContact O-N 3.48Å; Q85-R88 VanDerWaalsContact CD-NH1 3.25Å; R88-K90 VanDerWaalsContact C-N 3.31Å; R88-K90 PolarHBondContact O-N 2.87Å; R88-C91 WeakPolarHBondContact O-CB 3.42Å; R88-C91 PolarHBondContact O-N 3.31Å; R88-C91 VanDerWaalsContact O-N 3.15Å; R88-T92 PolarHBondContact O-N 2.91Å; R88-T92 PolarHBondContact O-OG1 3.27Å; R88-T92 VanDerWaalsContact O-OG1 3.11Å; R88-D122 IonicContact CZ-OD2 2.77Å; R88-D122 IonicContact NE-OD2 3.51Å; R88-D122 IonicContact NH2-OD1 3.76Å; R88-D122 PolarHBondContact NH2-OD1 2.98Å; R88-D122 IonicContact NH2-OD2 2.65Å; R88-D122 PolarHBondContact NH2-OD2 3.27Å |
| 89 | L | 90.7 | Very high | 85.6 | Confident | 16 Ų | 16 | 59.9 Ų | 59.9 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -26.3 | 177.1 | -63.6 | 172.5 | 0 | 0 | 0 | 113 | Q85 L86 D87 R93 D124 F125 V128 | Q85-L89 WeakPolarHBondContact O-CG 3.28Å; Q85-L89 PolarHBondContact O-N 3.19Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.28Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 PolarHBondContact O-N 3.42Å; L89-R93 WeakPolarHBondContact O-CG 3.42Å; L89-R93 PolarHBondContact O-N 2.9Å; L89-R93 PolarHBondContact O-NH1 3.29Å; L89-D124 HydrophobicContact CD1-CB 3.74Å; L89-D124 HydrophobicContact CD2-CB 4.47Å; L89-F125 HydrophobicContact CD2-CB 4.3Å; L89-V128 HydrophobicContact CB-CG2 4.12Å; L89-V128 HydrophobicContact CD2-CG2 4Å; L89-V128 HydrophobicContact CG-CG2 4.47Å |
| 90 | K | 90.3 | Very high | 86.2 | Confident | 88 Ų | 88 | 58 Ų | 58 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 167.9 | -64 | 175.6 | -168.9 | 163.7 | 0 | 111.2 | L28 L86 D87 R88 T92 R93 V94 | L28-K90 HydrophobicContact CD1-CB 4.49Å; L28-K90 HydrophobicContact CD2-CB 4.11Å; L28-K90 HydrophobicContact CD2-CD 4.11Å; L86-K90 PolarHBondContact O-N 3.05Å; L86-K90 VanDerWaalsContact O-N 3.09Å; D87-K90 WeakPolarHBondContact O-CB 3.49Å; D87-K90 PolarHBondContact O-N 3.35Å; D87-K90 VanDerWaalsContact O-N 3.12Å; D87-K90 VanDerWaalsContact OD1-CD 3.32Å; D87-K90 WeakPolarHBondContact OD1-CD 3.5Å; D87-K90 WeakPolarHBondContact OD1-CE 3.31Å; D87-K90 IonicContact OD1-NZ 2.7Å; D87-K90 PolarHBondContact OD1-NZ 3.49Å; R88-K90 VanDerWaalsContact C-N 3.31Å; R88-K90 PolarHBondContact O-N 2.87Å; K90-T92 VanDerWaalsContact C-N 3.34Å; K90-T92 PolarHBondContact O-N 2.98Å; K90-R93 PolarHBondContact O-N 3.09Å; K90-V94 PolarHBondContact O-N 3.01Å; K90-V94 VanDerWaalsContact O-N 3.1Å |
| 91 | C | 89.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 173.7 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | L31 D87 R88 R93 V94 I95 | L31-C91 HydrophobicContact CD2-CB 3.77Å; D87-C91 PolarHBondContact O-N 3.29Å; D87-C91 PolarHBondContact O-SG 2.89Å; R88-C91 WeakPolarHBondContact O-CB 3.42Å; R88-C91 PolarHBondContact O-N 3.31Å; R88-C91 VanDerWaalsContact O-N 3.15Å; C91-R93 PolarHBondContact O-N 3.23Å; C91-V94 PolarHBondContact O-N 3.4Å; C91-V94 VanDerWaalsContact O-N 3.17Å; C91-I95 WeakPolarHBondContact O-CB 3.47Å; C91-I95 VanDerWaalsContact O-CG1 3.28Å; C91-I95 WeakPolarHBondContact O-CG1 3.4Å; C91-I95 PolarHBondContact O-N 3.23Å |
| 92 | T | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.9 | -50.1 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 112 | L54 C57 R88 K90 V94 I95 I96 F125 V128 | L54-T92 HydrophobicContact CD1-CG2 3.94Å; C57-T92 WeakPolarHBondContact CB-OG1 3.4Å; R88-T92 PolarHBondContact O-N 2.91Å; R88-T92 PolarHBondContact O-OG1 3.27Å; R88-T92 VanDerWaalsContact O-OG1 3.11Å; K90-T92 VanDerWaalsContact C-N 3.34Å; K90-T92 PolarHBondContact O-N 2.98Å; T92-V94 PolarHBondContact O-N 2.8Å; T92-I95 PolarHBondContact O-N 3.31Å; T92-I96 HydrophobicContact CG2-CD1 3.68Å; T92-I96 HydrophobicContact CG2-CG1 4.43Å; T92-I96 WeakPolarHBondContact O-CG1 3.44Å; T92-I96 PolarHBondContact O-N 2.76Å; T92-F125 HydrophobicContact CG2-CD2 3.9Å; T92-F125 HydrophobicContact CG2-CE2 3.57Å; T92-F125 HydrophobicContact CG2-CZ 4.19Å; T92-V128 HydrophobicContact CG2-CG1 3.78Å |
| 93 | R | 91.5 | Very high | 87.9 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.9 | -72 | 179.3 | -175.6 | 99.5 | -9.3 | 113 | L89 K90 C91 K97 V128 E131 | L89-R93 WeakPolarHBondContact O-CG 3.42Å; L89-R93 PolarHBondContact O-N 2.9Å; L89-R93 PolarHBondContact O-NH1 3.29Å; K90-R93 PolarHBondContact O-N 3.09Å; C91-R93 PolarHBondContact O-N 3.23Å; R93-K97 WeakPolarHBondContact O-CB 3.48Å; R93-K97 VanDerWaalsContact O-CG 3.3Å; R93-K97 WeakPolarHBondContact O-CG 3.5Å; R93-K97 PolarHBondContact O-N 3.13Å; R93-V128 HydrophobicContact CG-CG1 3.58Å; R93-E131 WeakPolarHBondContact CD-OE2 3.25Å; R93-E131 IonicContact CZ-OE1 3.59Å; R93-E131 VanDerWaalsContact CZ-OE1 3.31Å; R93-E131 IonicContact CZ-OE2 3.75Å; R93-E131 IonicContact NE-OE1 3.44Å; R93-E131 PolarHBondContact NE-OE1 3.15Å; R93-E131 VanDerWaalsContact NE-OE1 3.14Å; R93-E131 IonicContact NE-OE2 2.7Å; R93-E131 PolarHBondContact NE-OE2 3.27Å; R93-E131 IonicContact NH2-OE1 3.88Å; R93-E131 PolarHBondContact NH2-OE1 2.86Å; R93-E131 IonicContact NH2-OE2 2.99Å |
| 94 | V | 89.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L28 I35 K90 C91 T92 K97 S98 | L28-V94 HydrophobicContact CD1-CG2 4.07Å; I35-V94 HydrophobicContact CD1-CG1 3.72Å; K90-V94 PolarHBondContact O-N 3.01Å; K90-V94 VanDerWaalsContact O-N 3.1Å; C91-V94 PolarHBondContact O-N 3.4Å; C91-V94 VanDerWaalsContact O-N 3.17Å; T92-V94 PolarHBondContact O-N 2.8Å; V94-K97 PolarHBondContact O-N 3.1Å; V94-S98 WeakPolarHBondContact O-CB 3.25Å; V94-S98 PolarHBondContact O-N 2.97Å; V94-S98 VanDerWaalsContact O-N 3.07Å; V94-S98 PolarHBondContact O-OG 3.42Å |
| 95 | I | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -50.6 | 179.8 | -67.5 | 162.9 | 0 | 0 | 0 | 110.5 | L31 L41 L54 C57 C91 T92 K97 S98 N99 F102 | L31-I95 HydrophobicContact CD2-CD1 4.17Å; L31-I95 HydrophobicContact CD2-CG1 4.06Å; L41-I95 HydrophobicContact CD1-CG1 4.42Å; L54-I95 HydrophobicContact CB-CG2 4.02Å; L54-I95 HydrophobicContact CD1-CB 4.48Å; L54-I95 HydrophobicContact CD1-CG2 4.12Å; C57-I95 VanDerWaalsContact SG-CD1 3.59Å; C91-I95 WeakPolarHBondContact O-CB 3.47Å; C91-I95 VanDerWaalsContact O-CG1 3.28Å; C91-I95 WeakPolarHBondContact O-CG1 3.4Å; C91-I95 PolarHBondContact O-N 3.23Å; T92-I95 PolarHBondContact O-N 3.31Å; I95-K97 PolarHBondContact O-N 3.04Å; I95-S98 PolarHBondContact O-N 3.42Å; I95-S98 PolarHBondContact O-OG 3.27Å; I95-N99 PolarHBondContact O-N 3.27Å; I95-F102 HydrophobicContact CG2-CD2 3.75Å; I95-F102 HydrophobicContact CG2-CE2 4.3Å |
| 96 | I | 88.7 | Confident | 89 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | -179.9 | -65.4 | 169.4 | 0 | 0 | 0 | 111.7 | L54 T92 S98 L103 L129 F132 | L54-I96 HydrophobicContact CD1-CD1 4.28Å; L54-I96 HydrophobicContact CD1-CG1 3.92Å; L54-I96 HydrophobicContact CD2-CG1 4.03Å; T92-I96 HydrophobicContact CG2-CD1 3.68Å; T92-I96 HydrophobicContact CG2-CG1 4.43Å; T92-I96 WeakPolarHBondContact O-CG1 3.44Å; T92-I96 PolarHBondContact O-N 2.76Å; I96-S98 VanDerWaalsContact C-N 3.26Å; I96-S98 PolarHBondContact O-N 3.36Å; I96-L103 HydrophobicContact CD1-CD2 4.39Å; I96-L103 HydrophobicContact CG2-CD1 4.35Å; I96-L129 HydrophobicContact CD1-CD2 3.5Å; I96-F132 HydrophobicContact CB-CE1 4.29Å; I96-F132 HydrophobicContact CB-CE2 4.08Å; I96-F132 HydrophobicContact CB-CZ 3.91Å; I96-F132 HydrophobicContact CD1-CD2 4.21Å; I96-F132 HydrophobicContact CD1-CE2 3.88Å; I96-F132 HydrophobicContact CG2-CD1 3.77Å; I96-F132 HydrophobicContact CG2-CD2 3.88Å; I96-F132 HydrophobicContact CG2-CE1 3.71Å; I96-F132 HydrophobicContact CG2-CE2 3.83Å; I96-F132 HydrophobicContact CG2-CG 3.86Å; I96-F132 HydrophobicContact CG2-CZ 3.74Å |
| 97 | K | 87.3 | Confident | 89.2 | Confident | 165 Ų | 165 | 43 Ų | 43 | 72% | 0.717 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.6 | -30.2 | 175.2 | -75.2 | -179.8 | 179.4 | -178.5 | 0 | 113.2 | R93 V94 I95 F132 | R93-K97 WeakPolarHBondContact O-CB 3.48Å; R93-K97 VanDerWaalsContact O-CG 3.3Å; R93-K97 WeakPolarHBondContact O-CG 3.5Å; R93-K97 PolarHBondContact O-N 3.13Å; V94-K97 PolarHBondContact O-N 3.1Å; I95-K97 PolarHBondContact O-N 3.04Å; K97-F132 HydrophobicContact CG-CE1 3.77Å; K97-F132 HydrophobicContact CG-CZ 4.24Å |
| 98 | S | 86.4 | Confident | 89.3 | Confident | 53 Ų | 53 | 45 Ų | 45 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -87.9 | -37.8 | -177.8 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | V94 I95 I96 | V94-S98 WeakPolarHBondContact O-CB 3.25Å; V94-S98 PolarHBondContact O-N 2.97Å; V94-S98 VanDerWaalsContact O-N 3.07Å; V94-S98 PolarHBondContact O-OG 3.42Å; I95-S98 PolarHBondContact O-N 3.42Å; I95-S98 PolarHBondContact O-OG 3.27Å; I96-S98 VanDerWaalsContact C-N 3.26Å; I96-S98 PolarHBondContact O-N 3.36Å |
| 99 | N | 87.5 | Confident | 89.1 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | trans | -145.6 | 72.4 | -171.8 | -66.7 | -92.1 | 0 | 0 | 0 | 109.7 | R42 I95 E101 F102 | R42-N99 PolarHBondContact NE-OD1 3.04Å; I95-N99 PolarHBondContact O-N 3.27Å; N99-E101 VanDerWaalsContact C-OE2 3.32Å; N99-E101 WeakPolarHBondContact CA-OE2 3.21Å; N99-E101 WeakPolarHBondContact CB-OE1 2.98Å; N99-E101 PolarHBondContact O-N 2.98Å; N99-E101 PolarHBondContact OD1-OE1 3.23Å; N99-F102 HydrophobicContact CB-CD1 4.23Å; N99-F102 HydrophobicContact CB-CD2 4.06Å; N99-F102 HydrophobicContact CB-CE1 4.15Å; N99-F102 HydrophobicContact CB-CE2 3.98Å; N99-F102 HydrophobicContact CB-CG 4.18Å; N99-F102 HydrophobicContact CB-CZ 4.02Å; N99-F102 PolarHBondContact O-N 2.93Å; N99-F102 VanDerWaalsContact O-N 3.16Å | ||
| 100 | P | 85.6 | Confident | 89.1 | Confident | 75 Ų | 75 | 47 Ų | 47 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -62.2 | -23.3 | -176.6 | 25.8 | -35.1 | 0 | 0 | 0 | 113.3 | F102 L103 | P100-F102 PolarHBondContact O-N 3.23Å; P100-F102 VanDerWaalsContact O-N 3.11Å; P100-L103 PolarHBondContact O-N 2.88Å |
| 101 | E | 85.7 | Confident | 89.2 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -61.1 | -16.2 | 175.3 | 68.2 | -81.2 | -172.1 | 0 | 0 | 114.3 | R42 N99 L103 T104 Y105 | R42-E101 IonicContact CZ-OE1 3.31Å; R42-E101 IonicContact NE-OE1 2.68Å; R42-E101 PolarHBondContact NE-OE1 3.26Å; R42-E101 VanDerWaalsContact NH2-CD 3.28Å; R42-E101 IonicContact NH2-OE1 3.85Å; R42-E101 PolarHBondContact NH2-OE1 2.98Å; R42-E101 IonicContact NH2-OE2 3.14Å; N99-E101 VanDerWaalsContact C-OE2 3.32Å; N99-E101 WeakPolarHBondContact CA-OE2 3.21Å; N99-E101 WeakPolarHBondContact CB-OE1 2.98Å; N99-E101 PolarHBondContact O-N 2.98Å; N99-E101 PolarHBondContact OD1-OE1 3.23Å; E101-L103 PolarHBondContact O-N 3.46Å; E101-T104 PolarHBondContact O-N 2.86Å; E101-T104 PolarHBondContact O-OG1 3.32Å; E101-Y105 PolarHBondContact O-N 2.99Å |
| 102 | F | 89 | Confident | 89.4 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -66.6 | -18 | 176.4 | -72.2 | -1.3 | 0 | 0 | 0 | 113.4 | L41 R42 T52 T53 L54 I95 N99 P100 T104 P113 | L41-F102 HydrophobicContact CB-CE2 3.99Å; L41-F102 HydrophobicContact CB-CZ 4.08Å; R42-F102 HydrophobicContact CG-CE1 4.12Å; R42-F102 HydrophobicContact CG-CZ 4.27Å; T52-F102 HydrophobicContact CG2-CD1 4.35Å; T52-F102 HydrophobicContact CG2-CG 4.46Å; T53-F102 WeakPolarHBondContact OG1-CE2 3.33Å; L54-F102 HydrophobicContact CB-CB 3.93Å; L54-F102 HydrophobicContact CB-CD2 4.28Å; L54-F102 HydrophobicContact CD2-CB 3.76Å; I95-F102 HydrophobicContact CG2-CD2 3.75Å; I95-F102 HydrophobicContact CG2-CE2 4.3Å; N99-F102 HydrophobicContact CB-CD1 4.23Å; N99-F102 HydrophobicContact CB-CD2 4.06Å; N99-F102 HydrophobicContact CB-CE1 4.15Å; N99-F102 HydrophobicContact CB-CE2 3.98Å; N99-F102 HydrophobicContact CB-CG 4.18Å; N99-F102 HydrophobicContact CB-CZ 4.02Å; N99-F102 PolarHBondContact O-N 2.93Å; N99-F102 VanDerWaalsContact O-N 3.16Å; P100-F102 PolarHBondContact O-N 3.23Å; P100-F102 VanDerWaalsContact O-N 3.11Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.4Å; F102-P113 WeakPolarHBondContact O-CD 3.47Å; F102-P113 WeakPolarHBondContact O-CG 3.41Å |
| 103 | L | 88 | Confident | 89.4 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -67.3 | -29.7 | 174.2 | -68.6 | 167.2 | 0 | 0 | 0 | 112.9 | L54 I96 P100 E101 I114 L129 V135 | L54-L103 HydrophobicContact CD2-CD2 3.75Å; L54-L103 HydrophobicContact CD2-CG 4.02Å; I96-L103 HydrophobicContact CD1-CD2 4.39Å; I96-L103 HydrophobicContact CG2-CD1 4.35Å; P100-L103 PolarHBondContact O-N 2.88Å; E101-L103 PolarHBondContact O-N 3.46Å; L103-I114 HydrophobicContact CD2-CD1 4.34Å; L103-I114 HydrophobicContact CD2-CG1 4.29Å; L103-L129 HydrophobicContact CD2-CD1 4.44Å; L103-L129 HydrophobicContact CD2-CD2 3.57Å; L103-V135 HydrophobicContact CD1-CG2 4.03Å |
| 104 | T | 88.9 | Confident | 89.5 | Confident | 75 Ų | 75 | 40.1 Ų | 40.1 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -102.6 | 2.9 | -179.2 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | E101 F102 Y106 I139 | E101-T104 PolarHBondContact O-N 2.86Å; E101-T104 PolarHBondContact O-OG1 3.32Å; F102-T104 VanDerWaalsContact C-N 3.3Å; F102-T104 PolarHBondContact O-N 3.4Å; T104-Y106 WeakPolarHBondContact O-CD2 3.2Å; T104-Y106 WeakPolarHBondContact O-CE2 3.43Å; T104-I139 HydrophobicContact CG2-CD1 3.99Å |
| 105 | Y | 90.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 37.5 Ų | 37.5 | 37% | 0.373 | 19% | 0.186 | S | C | . | . | trans | -76.4 | 139.1 | 176.4 | -158.1 | -82.1 | 0 | 0 | 0 | 110.8 | I45 T52 H55 E101 T112 | I45-Y105 HydrophobicContact CD1-CE2 4.42Å; T52-Y105 HydrophobicContact CG2-CD1 3.49Å; T52-Y105 VanDerWaalsContact CG2-CD1 3.49Å; T52-Y105 HydrophobicContact CG2-CD2 4.29Å; T52-Y105 HydrophobicContact CG2-CE1 4.03Å; T52-Y105 HydrophobicContact CG2-CG 3.64Å; H55-Y105 PolarHBondContact CE1-O 3.01Å; H55-Y105 PolarHBondContact NE2-O 2.78Å; E101-Y105 PolarHBondContact O-N 2.99Å; Y105-T112 WeakPolarHBondContact O-CA 3.15Å; Y105-T112 WeakPolarHBondContact O-CB 3.35Å; Y105-T112 WeakPolarHBondContact O-CG2 3.42Å | ||
| 106 | Y | 91.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | trans | -107.8 | 133.2 | -178.2 | -67.1 | -101.7 | 0 | 0 | 0 | 111 | T104 G110 F111 T112 I139 K140 K142 | T104-Y106 WeakPolarHBondContact O-CD2 3.2Å; T104-Y106 WeakPolarHBondContact O-CE2 3.43Å; Y106-G110 WeakPolarHBondContact CD1-O 3.46Å; Y106-F111 CarbonylContact C-O 3.59Å; Y106-F111 VanDerWaalsContact CA-O 3.3Å; Y106-F111 WeakPolarHBondContact CA-O 3.17Å; Y106-T112 HydrophobicContact CD1-CG2 3.85Å; Y106-T112 HydrophobicContact CD2-CG2 4.22Å; Y106-T112 HydrophobicContact CE1-CG2 3.77Å; Y106-T112 HydrophobicContact CE2-CG2 4.11Å; Y106-T112 HydrophobicContact CG-CG2 4.09Å; Y106-I139 WeakPolarHBondContact OH-CG2 3.36Å; Y106-K140 WeakPolarHBondContact CE1-O 3.38Å; Y106-K140 PolarHBondContact OH-O 3.47Å; Y106-K140 VanDerWaalsContact OH-O 3.12Å; Y106-K142 HydrophobicContact CD1-CB 4.03Å; Y106-K142 HydrophobicContact CD1-CD 3.72Å; Y106-K142 HydrophobicContact CD1-CG 3.9Å; Y106-K142 HydrophobicContact CD2-CD 4.07Å; Y106-K142 HydrophobicContact CE1-CB 4.12Å; Y106-K142 HydrophobicContact CE1-CD 3.61Å; Y106-K142 HydrophobicContact CE1-CG 3.58Å; Y106-K142 HydrophobicContact CE2-CD 4Å; Y106-K142 HydrophobicContact CG-CD 3.95Å; Y106-K142 VanDerWaalsContact CZ-CE 3.43Å | ||
| 107 | D | 91.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | trans | -70 | 173.5 | 165.4 | 89.6 | -15.4 | 0 | 0 | 0 | 111.5 | T49 Q51 N109 G110 F111 | T49-D107 WeakPolarHBondContact O-CB 3.45Å; Q51-D107 HydrophobicContact CG-CB 3.69Å; Q51-D107 PolarHBondContact NE2-OD2 3.44Å; D107-N109 PolarHBondContact O-N 3.01Å; D107-N109 WeakPolarHBondContact OD1-CA 3.39Å; D107-N109 WeakPolarHBondContact OD1-CB 3.47Å; D107-N109 PolarHBondContact OD1-N 3.41Å; D107-N109 PolarHBondContact OD2-ND2 2.79Å; D107-G110 PolarHBondContact O-N 3.43Å; D107-G110 PolarHBondContact OD1-N 2.78Å; D107-F111 PolarHBondContact N-O 2.95Å; D107-F111 PolarHBondContact OD1-N 3.33Å | ||
| 108 | Y | 89.3 | Confident | 90.2 | Very high | 72 Ų | 72 | 29.7 Ų | 29.7 | 28% | 0.282 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15 | -178.3 | -62 | -20.4 | 0 | 0 | 0 | 113.9 | Q48 T49 G50 G110 K144 S145 | Q48-Y108 WeakPolarHBondContact O-CD2 3.39Å; T49-Y108 VanDerWaalsContact C-CD2 3.41Å; T49-Y108 WeakPolarHBondContact O-CB 3.48Å; T49-Y108 PolarHBondContact O-N 3.11Å; G50-Y108 VanDerWaalsContact CA-CE1 3.47Å; Y108-G110 VanDerWaalsContact C-N 3.34Å; Y108-K144 CarbonylContact O-C 3.21Å; Y108-K144 WeakPolarHBondContact O-CA 3.47Å; Y108-K144 WeakPolarHBondContact O-CG 3.44Å; Y108-S145 PolarHBondContact O-N 3.22Å |
| 109 | N | 87.8 | Confident | 90.5 | Very high | 64 Ų | 64 | 28.1 Ų | 28.1 | 34% | 0.342 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8 | 173.2 | -56.6 | -58.6 | 0 | 0 | 0 | 112.7 | D107 F111 | D107-N109 PolarHBondContact O-N 3.01Å; D107-N109 WeakPolarHBondContact OD1-CA 3.39Å; D107-N109 WeakPolarHBondContact OD1-CB 3.47Å; D107-N109 PolarHBondContact OD1-N 3.41Å; D107-N109 PolarHBondContact OD2-ND2 2.79Å; N109-F111 HydrophobicContact CB-CD2 3.64Å; N109-F111 HydrophobicContact CB-CE2 3.77Å |
| 110 | G | 90.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 89.1 | 19.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y106 D107 Y108 T141 K142 | Y106-G110 WeakPolarHBondContact CD1-O 3.46Å; D107-G110 PolarHBondContact O-N 3.43Å; D107-G110 PolarHBondContact OD1-N 2.78Å; Y108-G110 VanDerWaalsContact C-N 3.34Å; G110-T141 WeakPolarHBondContact O-CA 3.08Å; G110-K142 WeakPolarHBondContact CA-O 3.39Å; G110-K142 PolarHBondContact O-N 2.67Å |
| 111 | F | 93.4 | Very high | 90.9 | Very high | 19 Ų | 19 | 27.4 Ų | 27.4 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | trans | -101.6 | 149.8 | 175.9 | -59.2 | -57.2 | 0 | 0 | 0 | 111.8 | H55 Y106 D107 N109 H115 L116 I119 T141 N163 L171 | H55-F111 PolarHBondContact NE2-O 2.83Å; Y106-F111 CarbonylContact C-O 3.59Å; Y106-F111 VanDerWaalsContact CA-O 3.3Å; Y106-F111 WeakPolarHBondContact CA-O 3.17Å; D107-F111 PolarHBondContact N-O 2.95Å; D107-F111 PolarHBondContact OD1-N 3.33Å; N109-F111 HydrophobicContact CB-CD2 3.64Å; N109-F111 HydrophobicContact CB-CE2 3.77Å; F111-H115 HydrophobicContact CB-CB 3.95Å; F111-H115 HydrophobicContact CD1-CB 3.9Å; F111-H115 HydrophobicContact CG-CB 4.35Å; F111-L116 HydrophobicContact CB-CD2 3.75Å; F111-L116 HydrophobicContact CB-CG 4.09Å; F111-L116 HydrophobicContact CD2-CD2 4.05Å; F111-L116 HydrophobicContact CG-CD2 4.07Å; F111-I119 HydrophobicContact CD1-CD1 3.81Å; F111-I119 HydrophobicContact CD2-CD1 4.47Å; F111-I119 HydrophobicContact CE1-CD1 3.7Å; F111-I119 HydrophobicContact CE2-CD1 4.37Å; F111-I119 HydrophobicContact CG-CD1 4.21Å; F111-I119 HydrophobicContact CZ-CD1 3.99Å; F111-T141 HydrophobicContact CD1-CG2 3.77Å; F111-T141 HydrophobicContact CE1-CG2 3.88Å; F111-N163 HydrophobicContact CZ-CB 4.4Å; F111-L171 HydrophobicContact CE1-CD2 4.48Å | ||
| 112 | T | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -103.6 | 173 | 169.4 | 67 | 0 | 0 | 0 | 0 | 108.7 | Y105 Y106 I114 H115 L116 I139 | Y105-T112 WeakPolarHBondContact O-CA 3.15Å; Y105-T112 WeakPolarHBondContact O-CB 3.35Å; Y105-T112 WeakPolarHBondContact O-CG2 3.42Å; Y106-T112 HydrophobicContact CD1-CG2 3.85Å; Y106-T112 HydrophobicContact CD2-CG2 4.22Å; Y106-T112 HydrophobicContact CE1-CG2 3.77Å; Y106-T112 HydrophobicContact CE2-CG2 4.11Å; Y106-T112 HydrophobicContact CG-CG2 4.09Å; T112-I114 PolarHBondContact O-N 3.25Å; T112-I114 PolarHBondContact OG1-N 2.94Å; T112-H115 PolarHBondContact N-ND1 2.92Å; T112-H115 VanDerWaalsContact N-ND1 3.11Å; T112-H115 PolarHBondContact O-N 2.78Å; T112-H115 VanDerWaalsContact O-N 3.12Å; T112-H115 PolarHBondContact OG1-N 3.13Å; T112-H115 PolarHBondContact OG1-ND1 3.44Å; T112-L116 PolarHBondContact O-N 2.99Å; T112-I139 HydrophobicContact CG2-CG2 3.86Å | ||
| 113 | P | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.8 | -33.3 | 175.2 | -23.4 | 35 | 0 | 0 | 0 | 112.5 | L54 H55 V58 F102 L116 A117 F125 | L54-P113 HydrophobicContact CB-CG 4.07Å; L54-P113 HydrophobicContact CD2-CB 4.33Å; L54-P113 HydrophobicContact CD2-CG 4.05Å; L54-P113 HydrophobicContact CG-CB 3.97Å; L54-P113 HydrophobicContact CG-CG 3.9Å; H55-P113 VanDerWaalsContact CE1-CD 3.49Å; H55-P113 WeakPolarHBondContact CE1-CD 3.34Å; V58-P113 HydrophobicContact CG2-CB 4.28Å; V58-P113 WeakPolarHBondContact CG2-O 3.37Å; F102-P113 WeakPolarHBondContact O-CD 3.47Å; F102-P113 WeakPolarHBondContact O-CG 3.41Å; P113-L116 PolarHBondContact O-N 3.4Å; P113-A117 WeakPolarHBondContact O-CB 3.32Å; P113-A117 PolarHBondContact O-N 3.18Å; P113-F125 HydrophobicContact CB-CE1 4.33Å; P113-F125 HydrophobicContact CB-CZ 3.99Å |
| 114 | I | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -45.1 | 177.2 | -45.2 | -171.6 | 0 | 0 | 0 | 110.6 | L103 T112 L116 A117 V118 L126 L129 V135 M137 I139 I168 | L103-I114 HydrophobicContact CD2-CD1 4.34Å; L103-I114 HydrophobicContact CD2-CG1 4.29Å; T112-I114 PolarHBondContact O-N 3.25Å; T112-I114 PolarHBondContact OG1-N 2.94Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 3.35Å; I114-A117 PolarHBondContact O-N 3.35Å; I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.07Å; I114-L126 HydrophobicContact CG2-CD2 4.2Å; I114-L129 HydrophobicContact CB-CD1 4.48Å; I114-L129 HydrophobicContact CD1-CD1 4.04Å; I114-L129 HydrophobicContact CG1-CD1 3.81Å; I114-L129 HydrophobicContact CG2-CD1 4.24Å; I114-V135 HydrophobicContact CD1-CG1 3.52Å; I114-M137 HydrophobicContact CD1-SD 4.32Å; I114-M137 HydrophobicContact CG2-SD 4.08Å; I114-I139 HydrophobicContact CD1-CD1 4.14Å; I114-I168 HydrophobicContact CG2-CG2 3.96Å |
| 115 | H | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.5 | -61.8 | 144.7 | 0 | 0 | 0 | 111.5 | F111 T112 V118 I119 I139 T141 L171 | F111-H115 HydrophobicContact CB-CB 3.95Å; F111-H115 HydrophobicContact CD1-CB 3.9Å; F111-H115 HydrophobicContact CG-CB 4.35Å; T112-H115 PolarHBondContact N-ND1 2.92Å; T112-H115 VanDerWaalsContact N-ND1 3.11Å; T112-H115 PolarHBondContact O-N 2.78Å; T112-H115 VanDerWaalsContact O-N 3.12Å; T112-H115 PolarHBondContact OG1-N 3.13Å; T112-H115 PolarHBondContact OG1-ND1 3.44Å; H115-V118 PolarHBondContact O-N 3.37Å; H115-I119 WeakPolarHBondContact O-CD1 3.48Å; H115-I119 WeakPolarHBondContact O-CG1 3.47Å; H115-I119 PolarHBondContact O-N 3.09Å; H115-I139 PolarHBondContact NE2-O 3.17Å; H115-T141 PolarHBondContact CE1-N 2.96Å; H115-L171 HydrophobicContact CB-CD1 3.7Å |
| 116 | L | 92.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 176.9 | -65 | -173.4 | 0 | 0 | 0 | 112.3 | H55 V58 F60 F111 T112 P113 I114 V118 I119 H120 | H55-L116 HydrophobicContact CB-CD1 4.25Å; V58-L116 HydrophobicContact CB-CB 4.48Å; V58-L116 HydrophobicContact CG1-CB 4.07Å; V58-L116 HydrophobicContact CG2-CB 4.4Å; F60-L116 HydrophobicContact CZ-CD1 4.37Å; F111-L116 HydrophobicContact CB-CD2 3.75Å; F111-L116 HydrophobicContact CB-CG 4.09Å; F111-L116 HydrophobicContact CD2-CD2 4.05Å; F111-L116 HydrophobicContact CG-CD2 4.07Å; T112-L116 PolarHBondContact O-N 2.99Å; P113-L116 PolarHBondContact O-N 3.4Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 3.35Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 PolarHBondContact O-N 3.2Å; L116-I119 HydrophobicContact CD2-CD1 4.49Å; L116-I119 PolarHBondContact O-N 3.48Å; L116-H120 PolarHBondContact O-N 2.92Å; L116-H120 PolarHBondContact O-ND1 3.48Å |
| 117 | A | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V58 P113 I114 G121 D122 F125 L126 | V58-A117 HydrophobicContact CG1-CB 4.1Å; V58-A117 HydrophobicContact CG2-CB 4.41Å; P113-A117 WeakPolarHBondContact O-CB 3.32Å; P113-A117 PolarHBondContact O-N 3.18Å; I114-A117 PolarHBondContact O-N 3.35Å; A117-G121 PolarHBondContact O-N 3.05Å; A117-G121 VanDerWaalsContact O-N 3.16Å; A117-D122 HydrophobicContact CB-CB 4.27Å; A117-D122 PolarHBondContact O-N 3.44Å; A117-F125 HydrophobicContact CB-CB 4.4Å; A117-F125 HydrophobicContact CB-CD1 3.54Å; A117-F125 HydrophobicContact CB-CE1 4.09Å; A117-F125 HydrophobicContact CB-CG 4.2Å; A117-L126 HydrophobicContact CB-CD2 4.05Å; A117-L126 HydrophobicContact CB-CG 4.33Å |
| 118 | V | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.7 | -51.8 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | I114 H115 L116 H120 G121 L126 I168 L171 C172 Q177 V180 | I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.07Å; H115-V118 PolarHBondContact O-N 3.37Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 PolarHBondContact O-N 3.2Å; V118-H120 PolarHBondContact O-N 3.16Å; V118-G121 PolarHBondContact O-N 2.93Å; V118-G121 VanDerWaalsContact O-N 3.17Å; V118-L126 HydrophobicContact CG2-CD1 4.32Å; V118-I168 HydrophobicContact CG2-CB 4.12Å; V118-I168 HydrophobicContact CG2-CG2 4.23Å; V118-L171 HydrophobicContact CG1-CB 3.79Å; V118-C172 HydrophobicContact CG1-CB 4.35Å; V118-C172 WeakPolarHBondContact CG1-SG 3.4Å; V118-Q177 WeakPolarHBondContact O-CG 3.21Å; V118-V180 HydrophobicContact CG1-CG1 4.39Å; V118-V180 HydrophobicContact CG2-CG1 4.14Å |
| 119 | I | 91.9 | Very high | 91.3 | Very high | 20 Ų | 20 | 19.5 Ų | 19.5 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.4 | -38.1 | -177.5 | -71.6 | 165.2 | 0 | 0 | 0 | 112 | F111 H115 L116 L171 Y175 Q177 | F111-I119 HydrophobicContact CD1-CD1 3.81Å; F111-I119 HydrophobicContact CD2-CD1 4.47Å; F111-I119 HydrophobicContact CE1-CD1 3.7Å; F111-I119 HydrophobicContact CE2-CD1 4.37Å; F111-I119 HydrophobicContact CG-CD1 4.21Å; F111-I119 HydrophobicContact CZ-CD1 3.99Å; H115-I119 WeakPolarHBondContact O-CD1 3.48Å; H115-I119 WeakPolarHBondContact O-CG1 3.47Å; H115-I119 PolarHBondContact O-N 3.09Å; L116-I119 HydrophobicContact CD2-CD1 4.49Å; L116-I119 PolarHBondContact O-N 3.48Å; I119-L171 HydrophobicContact CD1-CD1 4.23Å; I119-L171 HydrophobicContact CD1-CD2 4.48Å; I119-L171 HydrophobicContact CG1-CB 4.42Å; I119-L171 HydrophobicContact CG1-CD1 4.26Å; I119-Y175 HydrophobicContact CD1-CE2 4.18Å; I119-Y175 HydrophobicContact CG1-CD2 3.87Å; I119-Y175 HydrophobicContact CG1-CE2 3.72Å; I119-Y175 HydrophobicContact CG1-CG 4.47Å; I119-Y175 HydrophobicContact CG2-CD1 4.03Å; I119-Y175 HydrophobicContact CG2-CD2 4.44Å; I119-Y175 HydrophobicContact CG2-CE1 3.89Å; I119-Y175 HydrophobicContact CG2-CE2 4.33Å; I119-Y175 HydrophobicContact CG2-CG 4.29Å; I119-Q177 PolarHBondContact O-NE2 2.86Å |
| 120 | H | 91.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 17.4 Ų | 17.4 | 24% | 0.236 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -0.1 | -177.1 | -58.4 | 109.3 | 0 | 0 | 0 | 115.3 | K59 F60 L116 V118 | K59-H120 WeakPolarHBondContact O-CB 3.34Å; K59-H120 VanDerWaalsContact O-CG 3.27Å; F60-H120 AromaticContact CD1-CE1 3.58Å; F60-H120 AromaticContact CD1-NE2 3.45Å; F60-H120 WeakPolarHBondContact CD1-NE2 3.28Å; F60-H120 AromaticContact CE1-CE1 3.6Å; F60-H120 AromaticContact CE1-NE2 3.86Å; L116-H120 PolarHBondContact O-N 2.92Å; L116-H120 PolarHBondContact O-ND1 3.48Å; V118-H120 PolarHBondContact O-N 3.16Å |
| 121 | G | 91.3 | Very high | 90.9 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 24% | 0.237 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 24.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | A117 V118 I123 | A117-G121 PolarHBondContact O-N 3.05Å; A117-G121 VanDerWaalsContact O-N 3.16Å; V118-G121 PolarHBondContact O-N 2.93Å; V118-G121 VanDerWaalsContact O-N 3.17Å; G121-I123 VanDerWaalsContact C-N 3.29Å; G121-I123 PolarHBondContact O-N 3.11Å |
| 122 | D | 91.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | trans | -81.5 | 70.6 | -176.8 | -162.9 | -6.7 | 0 | 0 | 0 | 112.1 | V58 K59 R88 A117 D124 F125 L126 | V58-D122 HydrophobicContact CG1-CB 4.35Å; K59-D122 HydrophobicContact CB-CB 4Å; K59-D122 VanDerWaalsContact CB-OD2 3.29Å; K59-D122 WeakPolarHBondContact CB-OD2 3.48Å; K59-D122 PolarHBondContact N-OD2 3.24Å; R88-D122 IonicContact CZ-OD2 2.77Å; R88-D122 IonicContact NE-OD2 3.51Å; R88-D122 IonicContact NH2-OD1 3.76Å; R88-D122 PolarHBondContact NH2-OD1 2.98Å; R88-D122 IonicContact NH2-OD2 2.65Å; R88-D122 PolarHBondContact NH2-OD2 3.27Å; A117-D122 HydrophobicContact CB-CB 4.27Å; A117-D122 PolarHBondContact O-N 3.44Å; D122-D124 PolarHBondContact O-N 2.69Å; D122-F125 HydrophobicContact CB-CB 4.02Å; D122-F125 WeakPolarHBondContact O-CB 3.34Å; D122-F125 PolarHBondContact O-N 3.35Å; D122-F125 PolarHBondContact OD1-N 2.77Å; D122-F125 VanDerWaalsContact OD1-N 3.14Å; D122-F125 WeakPolarHBondContact OD2-CB 3.3Å; D122-L126 PolarHBondContact O-N 3.38Å | ||
| 123 | I | 90.4 | Very high | 89.2 | Confident | 39 Ų | 39 | 30 Ų | 30 | 20% | 0.2 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 179.7 | -57.6 | 170.6 | 0 | 0 | 0 | 111.2 | G121 L126 K127 D179 V180 Y183 | G121-I123 VanDerWaalsContact C-N 3.29Å; G121-I123 PolarHBondContact O-N 3.11Å; I123-L126 CarbonylContact O-C 3.55Å; I123-L126 WeakPolarHBondContact O-CB 3.44Å; I123-L126 PolarHBondContact O-N 3.46Å; I123-L126 VanDerWaalsContact O-N 3.14Å; I123-K127 WeakPolarHBondContact O-CG 3.25Å; I123-K127 PolarHBondContact O-N 3.06Å; I123-D179 HydrophobicContact CD1-CB 3.58Å; I123-V180 HydrophobicContact CD1-CG2 4.46Å; I123-V180 HydrophobicContact CG1-CG2 3.78Å; I123-Y183 HydrophobicContact CG2-CD1 4.01Å; I123-Y183 HydrophobicContact CG2-CD2 4.12Å; I123-Y183 HydrophobicContact CG2-CE1 4.49Å; I123-Y183 HydrophobicContact CG2-CG 3.82Å |
| 124 | D | 91 | Very high | 88.2 | Confident | 77 Ų | 77 | 37.6 Ų | 37.6 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72 | -31.7 | -178.3 | -62.3 | -42.3 | 0 | 0 | 0 | 112.4 | L89 D122 K127 V128 | L89-D124 HydrophobicContact CD1-CB 3.74Å; L89-D124 HydrophobicContact CD2-CB 4.47Å; D122-D124 PolarHBondContact O-N 2.69Å; D124-K127 PolarHBondContact O-N 3.05Å; D124-K127 WeakPolarHBondContact OD1-CD 3.49Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 3.3Å; D124-V128 WeakPolarHBondContact O-CG2 3.46Å; D124-V128 PolarHBondContact O-N 3.17Å; D124-V128 VanDerWaalsContact O-N 3.08Å |
| 125 | F | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 166.3 | -173.9 | -85.1 | 0 | 0 | 0 | 111.3 | L54 C57 V58 L89 T92 P113 A117 D122 K127 V128 L129 | L54-F125 HydrophobicContact CD1-CE2 4.05Å; L54-F125 HydrophobicContact CD1-CZ 3.92Å; L54-F125 HydrophobicContact CG-CZ 4.14Å; C57-F125 HydrophobicContact CB-CE2 4.28Å; V58-F125 HydrophobicContact CG2-CD1 4.48Å; V58-F125 HydrophobicContact CG2-CD2 4.15Å; V58-F125 HydrophobicContact CG2-CE1 4.15Å; V58-F125 HydrophobicContact CG2-CE2 3.8Å; V58-F125 HydrophobicContact CG2-CG 4.48Å; V58-F125 HydrophobicContact CG2-CZ 3.81Å; L89-F125 HydrophobicContact CD2-CB 4.3Å; T92-F125 HydrophobicContact CG2-CD2 3.9Å; T92-F125 HydrophobicContact CG2-CE2 3.57Å; T92-F125 HydrophobicContact CG2-CZ 4.19Å; P113-F125 HydrophobicContact CB-CE1 4.33Å; P113-F125 HydrophobicContact CB-CZ 3.99Å; A117-F125 HydrophobicContact CB-CB 4.4Å; A117-F125 HydrophobicContact CB-CD1 3.54Å; A117-F125 HydrophobicContact CB-CE1 4.09Å; A117-F125 HydrophobicContact CB-CG 4.2Å; D122-F125 HydrophobicContact CB-CB 4.02Å; D122-F125 WeakPolarHBondContact O-CB 3.34Å; D122-F125 PolarHBondContact O-N 3.35Å; D122-F125 PolarHBondContact OD1-N 2.77Å; D122-F125 VanDerWaalsContact OD1-N 3.14Å; D122-F125 WeakPolarHBondContact OD2-CB 3.3Å; F125-K127 PolarHBondContact O-N 2.9Å; F125-V128 WeakPolarHBondContact O-CB 3.37Å; F125-V128 PolarHBondContact O-N 2.93Å; F125-V128 VanDerWaalsContact O-N 3.16Å; F125-L129 HydrophobicContact CD1-CD1 4.17Å; F125-L129 HydrophobicContact CD1-CD2 4.4Å; F125-L129 HydrophobicContact CD1-CG 4.09Å; F125-L129 HydrophobicContact CE1-CD1 3.95Å; F125-L129 HydrophobicContact CE1-CD2 3.93Å; F125-L129 HydrophobicContact CE1-CG 4.02Å; F125-L129 HydrophobicContact CZ-CD2 4.43Å; F125-L129 WeakPolarHBondContact O-CG 3.35Å; F125-L129 PolarHBondContact O-N 3Å |
| 126 | L | 90.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 176.4 | -61.2 | 175.2 | 0 | 0 | 0 | 112.9 | I114 A117 V118 D122 I123 V128 L129 N130 V180 Y183 L184 | I114-L126 HydrophobicContact CG2-CD2 4.2Å; A117-L126 HydrophobicContact CB-CD2 4.05Å; A117-L126 HydrophobicContact CB-CG 4.33Å; V118-L126 HydrophobicContact CG2-CD1 4.32Å; D122-L126 PolarHBondContact O-N 3.38Å; I123-L126 CarbonylContact O-C 3.55Å; I123-L126 WeakPolarHBondContact O-CB 3.44Å; I123-L126 PolarHBondContact O-N 3.46Å; I123-L126 VanDerWaalsContact O-N 3.14Å; L126-V128 VanDerWaalsContact C-N 3.35Å; L126-L129 HydrophobicContact CD2-CD1 3.99Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 3.37Å; L126-N130 PolarHBondContact O-N 2.76Å; L126-V180 HydrophobicContact CD1-CG1 3.63Å; L126-Y183 HydrophobicContact CB-CD1 4.37Å; L126-Y183 HydrophobicContact CB-CE1 3.96Å; L126-L184 HydrophobicContact CD1-CD2 4.39Å |
| 127 | K | 89 | Confident | 86.4 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.8 | -43 | 170.1 | -71.5 | 171.2 | -169.3 | 152.7 | 0 | 111.7 | I123 D124 F125 L129 N130 E131 Y183 | I123-K127 WeakPolarHBondContact O-CG 3.25Å; I123-K127 PolarHBondContact O-N 3.06Å; D124-K127 PolarHBondContact O-N 3.05Å; D124-K127 WeakPolarHBondContact OD1-CD 3.49Å; D124-K127 IonicContact OD1-NZ 2.66Å; D124-K127 PolarHBondContact OD1-NZ 3.3Å; F125-K127 PolarHBondContact O-N 2.9Å; K127-L129 VanDerWaalsContact C-N 3.33Å; K127-N130 PolarHBondContact O-N 3.16Å; K127-E131 PolarHBondContact O-N 3.05Å; K127-Y183 WeakPolarHBondContact CA-OH 3.35Å; K127-Y183 HydrophobicContact CG-CE1 4.39Å; K127-Y183 HydrophobicContact CG-CE2 3.9Å; K127-Y183 WeakPolarHBondContact CG-OH 3.47Å |
| 128 | V | 89.7 | Confident | 85.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L89 T92 R93 D124 F125 L126 N130 E131 F132 | L89-V128 HydrophobicContact CB-CG2 4.12Å; L89-V128 HydrophobicContact CD2-CG2 4Å; L89-V128 HydrophobicContact CG-CG2 4.47Å; T92-V128 HydrophobicContact CG2-CG1 3.78Å; R93-V128 HydrophobicContact CG-CG1 3.58Å; D124-V128 WeakPolarHBondContact O-CG2 3.46Å; D124-V128 PolarHBondContact O-N 3.17Å; D124-V128 VanDerWaalsContact O-N 3.08Å; F125-V128 WeakPolarHBondContact O-CB 3.37Å; F125-V128 PolarHBondContact O-N 2.93Å; F125-V128 VanDerWaalsContact O-N 3.16Å; L126-V128 VanDerWaalsContact C-N 3.35Å; V128-N130 VanDerWaalsContact C-N 3.3Å; V128-N130 PolarHBondContact O-N 3.34Å; V128-E131 WeakPolarHBondContact O-CB 3.45Å; V128-E131 PolarHBondContact O-N 3.48Å; V128-F132 HydrophobicContact CG1-CE2 4.15Å; V128-F132 WeakPolarHBondContact O-CD2 3.48Å; V128-F132 WeakPolarHBondContact O-CE2 3.02Å |
| 129 | L | 88.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 173.2 | -63 | -168.9 | 0 | 0 | 0 | 112.1 | I96 L103 I114 F125 L126 K127 E131 F132 V135 M137 | I96-L129 HydrophobicContact CD1-CD2 3.5Å; L103-L129 HydrophobicContact CD2-CD1 4.44Å; L103-L129 HydrophobicContact CD2-CD2 3.57Å; I114-L129 HydrophobicContact CB-CD1 4.48Å; I114-L129 HydrophobicContact CD1-CD1 4.04Å; I114-L129 HydrophobicContact CG1-CD1 3.81Å; I114-L129 HydrophobicContact CG2-CD1 4.24Å; F125-L129 HydrophobicContact CD1-CD1 4.17Å; F125-L129 HydrophobicContact CD1-CD2 4.4Å; F125-L129 HydrophobicContact CD1-CG 4.09Å; F125-L129 HydrophobicContact CE1-CD1 3.95Å; F125-L129 HydrophobicContact CE1-CD2 3.93Å; F125-L129 HydrophobicContact CE1-CG 4.02Å; F125-L129 HydrophobicContact CZ-CD2 4.43Å; F125-L129 WeakPolarHBondContact O-CG 3.35Å; F125-L129 PolarHBondContact O-N 3Å; L126-L129 HydrophobicContact CD2-CD1 3.99Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 3.37Å; K127-L129 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.46Å; L129-F132 PolarHBondContact O-N 2.94Å; L129-V135 HydrophobicContact CB-CG2 4.31Å; L129-V135 HydrophobicContact CD1-CG1 4.34Å; L129-M137 HydrophobicContact CB-CE 4.49Å |
| 130 | N | 83.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.8 | 178.2 | -73.8 | 0.1 | 0 | 0 | 0 | 114.1 | L126 K127 V128 F132 Y183 H190 | L126-N130 PolarHBondContact O-N 2.76Å; K127-N130 PolarHBondContact O-N 3.16Å; V128-N130 VanDerWaalsContact C-N 3.3Å; V128-N130 PolarHBondContact O-N 3.34Å; N130-F132 PolarHBondContact O-N 2.98Å; N130-Y183 PolarHBondContact ND2-OH 3.41Å; N130-H190 PolarHBondContact OD1-CE1 3.48Å; N130-H190 PolarHBondContact OD1-ND1 3.37Å |
| 131 | E | 85.3 | Confident | 85.9 | Confident | 103 Ų | 103 | 44.9 Ų | 44.9 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12.9 | 167.4 | -59.8 | 176.7 | -168.8 | 0 | 0 | 112.6 | R93 K127 V128 L129 | R93-E131 WeakPolarHBondContact CD-OE2 3.25Å; R93-E131 IonicContact CZ-OE1 3.59Å; R93-E131 VanDerWaalsContact CZ-OE1 3.31Å; R93-E131 IonicContact CZ-OE2 3.75Å; R93-E131 IonicContact NE-OE1 3.44Å; R93-E131 PolarHBondContact NE-OE1 3.15Å; R93-E131 VanDerWaalsContact NE-OE1 3.14Å; R93-E131 IonicContact NE-OE2 2.7Å; R93-E131 PolarHBondContact NE-OE2 3.27Å; R93-E131 IonicContact NH2-OE1 3.88Å; R93-E131 PolarHBondContact NH2-OE1 2.86Å; R93-E131 IonicContact NH2-OE2 2.99Å; K127-E131 PolarHBondContact O-N 3.05Å; V128-E131 WeakPolarHBondContact O-CB 3.45Å; V128-E131 PolarHBondContact O-N 3.48Å; L129-E131 PolarHBondContact O-N 3.46Å |
| 132 | F | 83.1 | Confident | 85.8 | Confident | 41 Ų | 41 | 49 Ų | 49 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -114.4 | 108.5 | -178.3 | -56.9 | -85.7 | 0 | 0 | 0 | 110.3 | I96 K97 V128 L129 N130 N134 V135 | I96-F132 HydrophobicContact CB-CE1 4.29Å; I96-F132 HydrophobicContact CB-CE2 4.08Å; I96-F132 HydrophobicContact CB-CZ 3.91Å; I96-F132 HydrophobicContact CD1-CD2 4.21Å; I96-F132 HydrophobicContact CD1-CE2 3.88Å; I96-F132 HydrophobicContact CG2-CD1 3.77Å; I96-F132 HydrophobicContact CG2-CD2 3.88Å; I96-F132 HydrophobicContact CG2-CE1 3.71Å; I96-F132 HydrophobicContact CG2-CE2 3.83Å; I96-F132 HydrophobicContact CG2-CG 3.86Å; I96-F132 HydrophobicContact CG2-CZ 3.74Å; K97-F132 HydrophobicContact CG-CE1 3.77Å; K97-F132 HydrophobicContact CG-CZ 4.24Å; V128-F132 HydrophobicContact CG1-CE2 4.15Å; V128-F132 WeakPolarHBondContact O-CD2 3.48Å; V128-F132 WeakPolarHBondContact O-CE2 3.02Å; L129-F132 PolarHBondContact O-N 2.94Å; N130-F132 PolarHBondContact O-N 2.98Å; F132-N134 PolarHBondContact O-N 2.97Å; F132-V135 HydrophobicContact CB-CG2 4.11Å; F132-V135 WeakPolarHBondContact O-CG2 3.39Å |
| 133 | N | 68.5 | Low | 85.4 | Confident | 144 Ų | 144 | 52 Ų | 52 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -11.7 | -172 | -65.4 | 0.2 | 0 | 0 | 0 | 116.4 | ||
| 134 | N | 72 | Confident | 84.8 | Confident | 159 Ų | 159 | 56.5 Ų | 56.5 | 85% | 0.85 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 32.3 | -170.4 | -68.1 | -0.5 | 0 | 0 | 0 | 113.3 | F132 | F132-N134 PolarHBondContact O-N 2.97Š|
| 135 | V | 78.2 | Confident | 83.7 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -85.5 | 114.2 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 110 | L103 I114 L129 F132 M137 | L103-V135 HydrophobicContact CD1-CG2 4.03Å; I114-V135 HydrophobicContact CD1-CG1 3.52Å; L129-V135 HydrophobicContact CB-CG2 4.31Å; L129-V135 HydrophobicContact CD1-CG1 4.34Å; F132-V135 HydrophobicContact CB-CG2 4.11Å; F132-V135 WeakPolarHBondContact O-CG2 3.39Å; V135-M137 HydrophobicContact CB-CE 4.07Å; V135-M137 HydrophobicContact CG1-CE 3.58Å; V135-M137 HydrophobicContact CG1-SD 3.89Å; V135-M137 PolarHBondContact O-N 3.38Å | ||
| 136 | D | 79.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -70.3 | 119.9 | 171.5 | -178.8 | 17.6 | 0 | 0 | 0 | 110.1 | K138 I139 Y193 | D136-K138 WeakPolarHBondContact OD1-CB 3.48Å; D136-K138 PolarHBondContact OD1-N 2.84Å; D136-I139 HydrophobicContact CB-CD1 4.41Å; D136-I139 HydrophobicContact CB-CG1 4.16Å; D136-I139 VanDerWaalsContact O-CD1 3.27Å; D136-I139 WeakPolarHBondContact O-CD1 3.35Å; D136-I139 WeakPolarHBondContact O-CG1 3.1Å; D136-Y193 PolarHBondContact OD1-OH 3.46Å | ||
| 137 | M | 81.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | trans | -104.3 | -2.3 | 176.4 | -55.1 | -72.6 | -171.8 | 0 | 0 | 112.3 | I114 L129 V135 I139 I168 Y193 M194 I197 | I114-M137 HydrophobicContact CD1-SD 4.32Å; I114-M137 HydrophobicContact CG2-SD 4.08Å; L129-M137 HydrophobicContact CB-CE 4.49Å; V135-M137 HydrophobicContact CB-CE 4.07Å; V135-M137 HydrophobicContact CG1-CE 3.58Å; V135-M137 HydrophobicContact CG1-SD 3.89Å; V135-M137 PolarHBondContact O-N 3.38Å; M137-I139 PolarHBondContact O-N 3.18Å; M137-I168 HydrophobicContact CB-CD1 3.82Å; M137-I168 HydrophobicContact CG-CD1 4.43Å; M137-I168 HydrophobicContact SD-CD1 4.21Å; M137-Y193 HydrophobicContact CB-CE1 3.72Å; M137-Y193 HydrophobicContact CG-CE1 4.15Å; M137-Y193 PolarHBondContact N-OH 3.03Å; M137-Y193 VanDerWaalsContact N-OH 3.15Å; M137-M194 HydrophobicContact CB-CE 3.83Å; M137-M194 HydrophobicContact CG-CE 3.71Å; M137-I197 HydrophobicContact CB-CD1 3.98Å | ||
| 138 | K | 84.2 | Confident | 77.9 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | trans | -79.6 | 2.6 | 171.9 | -78.1 | 178.7 | 179.7 | -172.1 | 0 | 113 | D136 K140 Y193 E196 I197 | D136-K138 WeakPolarHBondContact OD1-CB 3.48Å; D136-K138 PolarHBondContact OD1-N 2.84Å; K138-K140 PolarHBondContact O-N 3.38Å; K138-Y193 HydrophobicContact CD-CE2 3.86Å; K138-Y193 HydrophobicContact CG-CE2 4.08Å; K138-Y193 PolarHBondContact N-OH 3.28Å; K138-E196 IonicContact NZ-OE2 2.79Å; K138-E196 PolarHBondContact NZ-OE2 3.5Å; K138-I197 HydrophobicContact CG-CD1 3.9Å; K138-I197 HydrophobicContact CG-CG1 3.66Å | ||
| 139 | I | 88.8 | Confident | 75.4 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | trans | -54.9 | 130.5 | 174.7 | -55.3 | 178.5 | 0 | 0 | 0 | 109.5 | T104 Y106 T112 I114 H115 D136 M137 | T104-I139 HydrophobicContact CG2-CD1 3.99Å; Y106-I139 WeakPolarHBondContact OH-CG2 3.36Å; T112-I139 HydrophobicContact CG2-CG2 3.86Å; I114-I139 HydrophobicContact CD1-CD1 4.14Å; H115-I139 PolarHBondContact NE2-O 3.17Å; D136-I139 HydrophobicContact CB-CD1 4.41Å; D136-I139 HydrophobicContact CB-CG1 4.16Å; D136-I139 VanDerWaalsContact O-CD1 3.27Å; D136-I139 WeakPolarHBondContact O-CD1 3.35Å; D136-I139 WeakPolarHBondContact O-CG1 3.1Å; M137-I139 PolarHBondContact O-N 3.18Å | ||
| 140 | K | 93 | Very high | 73.1 | Confident | 62 Ų | 62 | 78 Ų | 78 | 27% | 0.27 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -109.7 | 143.9 | 177 | -72.2 | 179.6 | 177.1 | -167 | 0 | 110 | Y106 K138 G165 R166 T167 E200 Y201 | Y106-K140 WeakPolarHBondContact CE1-O 3.38Å; Y106-K140 PolarHBondContact OH-O 3.47Å; Y106-K140 VanDerWaalsContact OH-O 3.12Å; K138-K140 PolarHBondContact O-N 3.38Å; K140-G165 VanDerWaalsContact CD-O 3.22Å; K140-G165 WeakPolarHBondContact CD-O 3.21Å; K140-G165 VanDerWaalsContact CG-O 3.29Å; K140-G165 WeakPolarHBondContact CG-O 3.34Å; K140-R166 CarbonylContact C-O 3.58Å; K140-R166 WeakPolarHBondContact CA-O 3.46Å; K140-T167 HydrophobicContact CD-CG2 4.4Å; K140-T167 HydrophobicContact CG-CG2 3.89Å; K140-E200 WeakPolarHBondContact CE-OE2 3.46Å; K140-E200 IonicContact NZ-OE2 3.75Å; K140-E200 PolarHBondContact NZ-OE2 3.01Å; K140-Y201 PolarHBondContact NZ-O 3.12Å |
| 141 | T | 93.2 | Very high | 70.7 | Confident | 4 Ų | 4 | 81.5 Ų | 81.5 | 3% | 0.025 | 45% | 0.452 | C | S | . | . | trans | -63.5 | 154.2 | 175.5 | 56.6 | 0 | 0 | 0 | 0 | 112 | G110 F111 H115 N163 G165 R166 L171 | G110-T141 WeakPolarHBondContact O-CA 3.08Å; F111-T141 HydrophobicContact CD1-CG2 3.77Å; F111-T141 HydrophobicContact CE1-CG2 3.88Å; H115-T141 PolarHBondContact CE1-N 2.96Å; T141-N163 WeakPolarHBondContact CB-O 3.29Å; T141-N163 PolarHBondContact OG1-O 3.38Å; T141-G165 PolarHBondContact O-N 3.36Å; T141-R166 HydrophobicContact CG2-CB 4.39Å; T141-R166 PolarHBondContact N-O 2.7Å; T141-R166 WeakPolarHBondContact OG1-CB 3.43Å; T141-R166 PolarHBondContact OG1-N 3.42Å; T141-R166 PolarHBondContact OG1-O 3.5Å; T141-L171 HydrophobicContact CG2-CD1 3.89Å; T141-L171 HydrophobicContact CG2-CD2 4.32Å; T141-L171 HydrophobicContact CG2-CG 4.47Å | ||
| 142 | K | 89.3 | Confident | 68.1 | Low | 110 Ų | 110 | 82 Ų | 82 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | trans | -111.4 | 164.8 | 179.3 | -75.5 | 179 | -177.5 | 166.8 | 0 | 112.1 | Y106 G110 | Y106-K142 HydrophobicContact CD1-CB 4.03Å; Y106-K142 HydrophobicContact CD1-CD 3.72Å; Y106-K142 HydrophobicContact CD1-CG 3.9Å; Y106-K142 HydrophobicContact CD2-CD 4.07Å; Y106-K142 HydrophobicContact CE1-CB 4.12Å; Y106-K142 HydrophobicContact CE1-CD 3.61Å; Y106-K142 HydrophobicContact CE1-CG 3.58Å; Y106-K142 HydrophobicContact CE2-CD 4Å; Y106-K142 HydrophobicContact CG-CD 3.95Å; Y106-K142 VanDerWaalsContact CZ-CE 3.43Å; G110-K142 WeakPolarHBondContact CA-O 3.39Å; G110-K142 PolarHBondContact O-N 2.67Å | ||
| 143 | A | 82.4 | Confident | 65.8 | Low | 67 Ų | 67 | 86.7 Ų | 86.7 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 145.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S145 T164 | A143-S145 PolarHBondContact O-N 2.9Å; A143-T164 HydrophobicContact CB-CG2 3.78Å |
| 144 | K | 78.5 | Confident | 64.2 | Low | 132 Ų | 132 | 84.7 Ų | 84.7 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 129.8 | 172.2 | -174.3 | 177.8 | -176.2 | 176.4 | 0 | 109.8 | Y108 | Y108-K144 CarbonylContact O-C 3.21Å; Y108-K144 WeakPolarHBondContact O-CA 3.47Å; Y108-K144 WeakPolarHBondContact O-CG 3.44Å |
| 145 | S | 68.5 | Low | 62.4 | Low | 52 Ų | 52 | 85.3 Ų | 85.3 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 132.6 | -178.8 | -176 | 0 | 0 | 0 | 0 | 111.2 | Y108 A143 M147 | Y108-S145 PolarHBondContact O-N 3.22Å; A143-S145 PolarHBondContact O-N 2.9Å; S145-M147 PolarHBondContact O-N 2.96Å |
| 146 | L | 57.1 | Low | 60.3 | Low | 157 Ų | 157 | 89.3 Ų | 89.3 | 82% | 0.822 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -63.4 | -2.2 | 179.4 | -77.3 | 163.7 | 0 | 0 | 0 | 114.6 | S148 S149 | L146-S148 PolarHBondContact O-N 2.89Å; L146-S149 WeakPolarHBondContact O-CB 3.23Å; L146-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-OG 3.04Å |
| 147 | M | 47.8 | Very low | 58.2 | Low | 142 Ų | 142 | 93.4 Ų | 93.4 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -63.2 | -11.9 | 175 | -86.1 | -80.9 | 152 | 0 | 0 | 114.6 | S145 S149 | S145-M147 PolarHBondContact O-N 2.96Å; M147-S149 PolarHBondContact O-N 3.23Å |
| 148 | S | 43.9 | Very low | 56 | Low | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -76.4 | 10.4 | 174.5 | 63.4 | 0 | 0 | 0 | 0 | 115 | L146 S150 | L146-S148 PolarHBondContact O-N 2.89Å; S148-S150 PolarHBondContact O-N 3.48Å; S148-S150 VanDerWaalsContact O-N 3.13Å |
| 149 | S | 36.8 | Very low | 54 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 19 | -171.3 | 44.5 | 0 | 0 | 0 | 0 | 116.1 | L146 M147 | L146-S149 WeakPolarHBondContact O-CB 3.23Å; L146-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-OG 3.04Å; M147-S149 PolarHBondContact O-N 3.23Å |
| 150 | S | 40.5 | Very low | 51.9 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 7.1 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 115.6 | S148 | S148-S150 PolarHBondContact O-N 3.48Å; S148-S150 VanDerWaalsContact O-N 3.13Å |
| 151 | S | 32.4 | Very low | 50 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | trans | -135.2 | 62.6 | 174 | 48.7 | 0 | 0 | 0 | 0 | 113 | T153 | S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.82Å | ||
| 152 | S | 30.3 | Very low | 48.6 | Very low | 114 Ų | 114 | 114 Ų | 114 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | trans | -75.9 | 62.7 | 178.4 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 153 | T | 35.2 | Very low | 47.7 | Very low | 138 Ų | 138 | 110.5 Ų | 110.5 | 85% | 0.847 | 66% | 0.656 | S | S | * | * | trans | -165.6 | 89.1 | 159.1 | 43.5 | 0 | 0 | 0 | 0 | 113.6 | S151 | S151-T153 VanDerWaalsContact C-N 3.3Å; S151-T153 PolarHBondContact O-N 2.82Å | ||
| 154 | S | 34.4 | Very low | 47.8 | Very low | 102 Ų | 102 | 108.5 Ų | 108.5 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | trans | -175 | 123.5 | 147.9 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 155 | H | 34.5 | Very low | 48.4 | Very low | 173 Ų | 173 | 102.4 Ų | 102.4 | 80% | 0.801 | 61% | 0.611 | S | S | * | * | trans | 40.2 | 106.7 | 150.8 | -51.6 | -60.9 | 0 | 0 | 0 | 119.4 | ||||
| 156 | S | 34.1 | Very low | 49.6 | Very low | 93 Ų | 93 | 100.7 Ų | 100.7 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | 65.7 | 129.5 | 73.6 | 73.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 157 | D | 36.8 | Very low | 51.3 | Low | 161 Ų | 161 | 93.2 Ų | 93.2 | 86% | 0.861 | 56% | 0.558 | S | S | * | * | trans | 81 | 53.3 | 162.9 | -53.5 | -18.7 | 0 | 0 | 0 | 120 | ||||
| 158 | S | 34.5 | Very low | 53.4 | Low | 98 Ų | 98 | 86.5 Ų | 86.5 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -154.8 | 138.6 | 136.3 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | E160 | S158-E160 PolarHBondContact O-N 3.2Š|
| 159 | S | 43.2 | Very low | 55.8 | Low | 107 Ų | 107 | 83.6 Ų | 83.6 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | trans | -52 | 129.9 | 167.4 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | I161 | S159-I161 WeakPolarHBondContact O-CG1 3.38Å; S159-I161 PolarHBondContact O-N 3.27Å | ||
| 160 | E | 44.3 | Very low | 58.6 | Low | 178 Ų | 178 | 78.7 Ų | 78.7 | 83% | 0.832 | 47% | 0.47 | S | S | * | . | trans | -54 | 105.6 | -178.7 | -63.6 | -178.1 | 162.1 | 0 | 0 | 109.8 | S158 N162 | S158-E160 PolarHBondContact O-N 3.2Å; E160-N162 PolarHBondContact O-N 2.92Å | ||
| 161 | I | 52.6 | Low | 61.1 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | trans | -72.8 | 105.9 | -178.8 | -52.2 | 179.2 | 0 | 0 | 0 | 106.3 | S159 N163 | S159-I161 WeakPolarHBondContact O-CG1 3.38Å; S159-I161 PolarHBondContact O-N 3.27Å; I161-N163 VanDerWaalsContact C-N 3.25Å; I161-N163 VanDerWaalsContact CG2-OD1 3.25Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.49Å; I161-N163 PolarHBondContact O-N 2.86Å; I161-N163 PolarHBondContact O-OD1 3.13Å | ||
| 162 | N | 63.8 | Low | 64.1 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | trans | -61.8 | 89.2 | 173.3 | -73.7 | -22 | 0 | 0 | 0 | 109.3 | E160 T164 | E160-N162 PolarHBondContact O-N 2.92Å; N162-T164 PolarHBondContact O-N 3.23Å; N162-T164 VanDerWaalsContact O-N 3.11Å | ||
| 163 | N | 70.3 | Confident | 67.1 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | trans | -82.4 | 35.3 | -178.3 | -70.6 | -30 | 0 | 0 | 0 | 111.6 | F111 T141 I161 R166 | F111-N163 HydrophobicContact CZ-CB 4.4Å; T141-N163 WeakPolarHBondContact CB-O 3.29Å; T141-N163 PolarHBondContact OG1-O 3.38Å; I161-N163 VanDerWaalsContact C-N 3.25Å; I161-N163 VanDerWaalsContact CG2-OD1 3.25Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.49Å; I161-N163 PolarHBondContact O-N 2.86Å; I161-N163 PolarHBondContact O-OD1 3.13Å; N163-R166 PolarHBondContact OD1-NH1 2.98Å | ||
| 164 | T | 84.5 | Confident | 69.9 | Low | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | trans | -104 | 139.6 | -168.6 | 76.3 | 0 | 0 | 0 | 0 | 111.5 | A143 N162 R166 D203 | A143-T164 HydrophobicContact CB-CG2 3.78Å; N162-T164 PolarHBondContact O-N 3.23Å; N162-T164 VanDerWaalsContact O-N 3.11Å; T164-R166 PolarHBondContact O-N 2.86Å; T164-D203 WeakPolarHBondContact CB-OD2 3.03Å; T164-D203 PolarHBondContact O-N 3.09Å; T164-D203 WeakPolarHBondContact OG1-CB 3.13Å; T164-D203 PolarHBondContact OG1-OD2 3.49Å | ||
| 165 | G | 90.9 | Very high | 72.6 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 75.6 | -1.2 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | K140 T141 T167 D202 D203 | K140-G165 VanDerWaalsContact CD-O 3.22Å; K140-G165 WeakPolarHBondContact CD-O 3.21Å; K140-G165 VanDerWaalsContact CG-O 3.29Å; K140-G165 WeakPolarHBondContact CG-O 3.34Å; T141-G165 PolarHBondContact O-N 3.36Å; G165-T167 PolarHBondContact O-N 3.37Å; G165-D202 WeakPolarHBondContact O-CA 3.26Å; G165-D203 WeakPolarHBondContact CA-OD1 3.37Å; G165-D203 PolarHBondContact N-OD2 2.67Å; G165-D203 VanDerWaalsContact N-OD2 3.17Å |
| 166 | R | 93.9 | Very high | 75.4 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | trans | -74.5 | 128.5 | -174 | -66.6 | 177.4 | 174.3 | 163.2 | -1.7 | 111.1 | K140 T141 N163 T164 H170 L171 D202 Y211 | K140-R166 CarbonylContact C-O 3.58Å; K140-R166 WeakPolarHBondContact CA-O 3.46Å; T141-R166 HydrophobicContact CG2-CB 4.39Å; T141-R166 PolarHBondContact N-O 2.7Å; T141-R166 WeakPolarHBondContact OG1-CB 3.43Å; T141-R166 PolarHBondContact OG1-N 3.42Å; T141-R166 PolarHBondContact OG1-O 3.5Å; N163-R166 PolarHBondContact OD1-NH1 2.98Å; T164-R166 PolarHBondContact O-N 2.86Å; R166-H170 HydrophobicContact CB-CB 3.87Å; R166-H170 HydrophobicContact CG-CB 4.22Å; R166-L171 HydrophobicContact CB-CD2 4.42Å; R166-D202 HydrophobicContact CG-CB 3.92Å; R166-D202 IonicContact NE-OD2 2.69Å; R166-Y211 PolarHBondContact NE-OH 2.8Å; R166-Y211 PolarHBondContact NH2-OH 3.33Å; R166-Y211 VanDerWaalsContact NH2-OH 3.11Å | ||
| 167 | T | 93 | Very high | 78.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 168.6 | 170.3 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | K140 G165 I169 H170 L171 I197 E200 | K140-T167 HydrophobicContact CD-CG2 4.4Å; K140-T167 HydrophobicContact CG-CG2 3.89Å; G165-T167 PolarHBondContact O-N 3.37Å; T167-I169 PolarHBondContact O-N 3.43Å; T167-I169 VanDerWaalsContact O-N 3.16Å; T167-I169 PolarHBondContact OG1-N 2.82Å; T167-H170 PolarHBondContact N-ND1 2.95Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.78Å; T167-H170 VanDerWaalsContact O-N 3.11Å; T167-H170 PolarHBondContact OG1-ND1 3.28Å; T167-L171 PolarHBondContact O-N 2.99Å; T167-I197 HydrophobicContact CG2-CG2 4.16Å; T167-E200 HydrophobicContact CG2-CB 3.7Å; T167-E200 HydrophobicContact CG2-CG 4.22Å |
| 168 | I | 92.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.3 | -34.9 | 172.6 | 56.7 | 168.9 | 0 | 0 | 0 | 113.4 | I114 V118 M137 L171 C172 L184 M194 | I114-I168 HydrophobicContact CG2-CG2 3.96Å; V118-I168 HydrophobicContact CG2-CB 4.12Å; V118-I168 HydrophobicContact CG2-CG2 4.23Å; M137-I168 HydrophobicContact CB-CD1 3.82Å; M137-I168 HydrophobicContact CG-CD1 4.43Å; M137-I168 HydrophobicContact SD-CD1 4.21Å; I168-L171 PolarHBondContact O-N 2.68Å; I168-C172 PolarHBondContact O-N 3.17Å; I168-C172 PolarHBondContact O-SG 3.38Å; I168-L184 HydrophobicContact CD1-CD1 4.06Å; I168-L184 HydrophobicContact CD1-CD2 4.39Å; I168-M194 HydrophobicContact CD1-CE 4.12Å; I168-M194 HydrophobicContact CD1-SD 4.26Å |
| 169 | I | 93.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | -179 | -56.9 | -171.8 | 0 | 0 | 0 | 110.8 | T167 L171 C172 V173 L181 L185 I197 V198 A208 L227 | T167-I169 PolarHBondContact O-N 3.43Å; T167-I169 VanDerWaalsContact O-N 3.16Å; T167-I169 PolarHBondContact OG1-N 2.82Å; I169-L171 VanDerWaalsContact C-N 3.29Å; I169-L171 PolarHBondContact O-N 3.04Å; I169-C172 WeakPolarHBondContact O-CB 3.39Å; I169-C172 PolarHBondContact O-N 3.34Å; I169-V173 WeakPolarHBondContact O-CG2 3.33Å; I169-V173 PolarHBondContact O-N 3.42Å; I169-V173 VanDerWaalsContact O-N 3.1Å; I169-L181 HydrophobicContact CG2-CD1 3.88Å; I169-L185 HydrophobicContact CD1-CD2 4.43Å; I169-I197 HydrophobicContact CD1-CB 3.98Å; I169-I197 HydrophobicContact CD1-CG2 3.74Å; I169-I197 HydrophobicContact CG1-CG2 3.91Å; I169-V198 HydrophobicContact CD1-CB 4.34Å; I169-V198 HydrophobicContact CD1-CG2 3.52Å; I169-A208 HydrophobicContact CB-CB 4.46Å; I169-A208 HydrophobicContact CG2-CB 3.69Å; I169-L227 HydrophobicContact CG2-CD2 3.9Å |
| 170 | H | 94.7 | Very high | 86 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 171.5 | -65.9 | 84.2 | 0 | 0 | 0 | 111.6 | R166 T167 V173 I174 E200 A206 T207 A208 Y211 | R166-H170 HydrophobicContact CB-CB 3.87Å; R166-H170 HydrophobicContact CG-CB 4.22Å; T167-H170 PolarHBondContact N-ND1 2.95Å; T167-H170 WeakPolarHBondContact O-CB 3.15Å; T167-H170 PolarHBondContact O-N 2.78Å; T167-H170 VanDerWaalsContact O-N 3.11Å; T167-H170 PolarHBondContact OG1-ND1 3.28Å; H170-V173 PolarHBondContact O-N 3.21Å; H170-I174 HydrophobicContact CB-CD1 4.42Å; H170-I174 WeakPolarHBondContact O-CB 3.36Å; H170-I174 WeakPolarHBondContact O-CD1 3.45Å; H170-I174 WeakPolarHBondContact O-CG1 3.39Å; H170-I174 PolarHBondContact O-N 3.11Å; H170-E200 PolarHBondContact CE1-O 3.42Å; H170-A206 PolarHBondContact NE2-O 3.31Å; H170-T207 WeakPolarHBondContact NE2-CA 3.42Å; H170-A208 PolarHBondContact CD2-N 3.41Å; H170-A208 PolarHBondContact NE2-N 3.37Å; H170-A208 VanDerWaalsContact NE2-N 3.19Å; H170-Y211 AromaticContact CD2-CD2 3.85Å; H170-Y211 AromaticContact CD2-CE2 3.82Å |
| 171 | L | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.3 | -39.9 | 177.1 | -59.8 | 176.9 | 0 | 0 | 0 | 111.7 | F111 H115 V118 I119 T141 R166 T167 I168 I169 V173 I174 Y175 | F111-L171 HydrophobicContact CE1-CD2 4.48Å; H115-L171 HydrophobicContact CB-CD1 3.7Å; V118-L171 HydrophobicContact CG1-CB 3.79Å; I119-L171 HydrophobicContact CD1-CD1 4.23Å; I119-L171 HydrophobicContact CD1-CD2 4.48Å; I119-L171 HydrophobicContact CG1-CB 4.42Å; I119-L171 HydrophobicContact CG1-CD1 4.26Å; T141-L171 HydrophobicContact CG2-CD1 3.89Å; T141-L171 HydrophobicContact CG2-CD2 4.32Å; T141-L171 HydrophobicContact CG2-CG 4.47Å; R166-L171 HydrophobicContact CB-CD2 4.42Å; T167-L171 PolarHBondContact O-N 2.99Å; I168-L171 PolarHBondContact O-N 2.68Å; I169-L171 VanDerWaalsContact C-N 3.29Å; I169-L171 PolarHBondContact O-N 3.04Å; L171-V173 VanDerWaalsContact C-N 3.27Å; L171-V173 PolarHBondContact O-N 3.25Å; L171-I174 PolarHBondContact O-N 2.93Å; L171-Y175 HydrophobicContact CB-CD2 4.49Å; L171-Y175 HydrophobicContact CD2-CE2 4.11Å; L171-Y175 WeakPolarHBondContact O-CB 3.34Å; L171-Y175 WeakPolarHBondContact O-CD2 3.32Å; L171-Y175 PolarHBondContact O-N 3.36Å |
| 172 | C | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.2 | -45.8 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | V118 I168 I169 S176 Q177 L181 | V118-C172 HydrophobicContact CG1-CB 4.35Å; V118-C172 WeakPolarHBondContact CG1-SG 3.4Å; I168-C172 PolarHBondContact O-N 3.17Å; I168-C172 PolarHBondContact O-SG 3.38Å; I169-C172 WeakPolarHBondContact O-CB 3.39Å; I169-C172 PolarHBondContact O-N 3.34Å; C172-S176 CarbonylContact O-C 3.57Å; C172-S176 PolarHBondContact O-N 3.27Å; C172-S176 VanDerWaalsContact O-N 3.11Å; C172-Q177 PolarHBondContact O-N 2.98Å; C172-L181 HydrophobicContact CB-CB 4.05Å; C172-L181 HydrophobicContact CB-CD1 4.17Å |
| 173 | V | 94.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.6 | -52.4 | 179.3 | 177.3 | 0 | 0 | 0 | 0 | 112 | I169 H170 L171 Y175 S176 A208 S212 V215 L223 L227 | I169-V173 WeakPolarHBondContact O-CG2 3.33Å; I169-V173 PolarHBondContact O-N 3.42Å; I169-V173 VanDerWaalsContact O-N 3.1Å; H170-V173 PolarHBondContact O-N 3.21Å; L171-V173 VanDerWaalsContact C-N 3.27Å; L171-V173 PolarHBondContact O-N 3.25Å; V173-Y175 VanDerWaalsContact C-N 3.27Å; V173-Y175 PolarHBondContact O-N 2.59Å; V173-S176 PolarHBondContact O-N 3.5Å; V173-A208 HydrophobicContact CG2-CB 3.97Å; V173-S212 VanDerWaalsContact CG1-CA 3.44Å; V173-S212 VanDerWaalsContact CG1-N 3.33Å; V173-V215 HydrophobicContact CG1-CG2 4.23Å; V173-L223 HydrophobicContact CG1-CD2 4.33Å; V173-L223 HydrophobicContact CG2-CD1 4.22Å; V173-L227 HydrophobicContact CG2-CD1 3.99Å; V173-L227 HydrophobicContact CG2-CD2 4.32Å |
| 174 | I | 92.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 24.7 Ų | 24.7 | 29% | 0.287 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.3 | -35.4 | -174.3 | -70.1 | 164.4 | 0 | 0 | 0 | 111.8 | H170 L171 Y211 | H170-I174 HydrophobicContact CB-CD1 4.42Å; H170-I174 WeakPolarHBondContact O-CB 3.36Å; H170-I174 WeakPolarHBondContact O-CD1 3.45Å; H170-I174 WeakPolarHBondContact O-CG1 3.39Å; H170-I174 PolarHBondContact O-N 3.11Å; L171-I174 PolarHBondContact O-N 2.93Å; I174-Y211 HydrophobicContact CD1-CD1 3.91Å; I174-Y211 HydrophobicContact CD1-CD2 4.31Å; I174-Y211 HydrophobicContact CD1-CE1 3.98Å; I174-Y211 HydrophobicContact CD1-CE2 4.37Å; I174-Y211 HydrophobicContact CD1-CG 4.06Å; I174-Y211 HydrophobicContact CG1-CD1 3.79Å; I174-Y211 HydrophobicContact CG1-CE1 4.35Å; I174-Y211 HydrophobicContact CG1-CG 3.89Å |
| 175 | Y | 92.2 | Very high | 92.6 | Very high | 93 Ų | 93 | 23.6 Ų | 23.6 | 37% | 0.365 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.5 | 176.8 | -67.2 | -87.8 | 0 | 0 | 0 | 113.3 | I119 L171 V173 Q177 | I119-Y175 HydrophobicContact CD1-CE2 4.18Å; I119-Y175 HydrophobicContact CG1-CD2 3.87Å; I119-Y175 HydrophobicContact CG1-CE2 3.72Å; I119-Y175 HydrophobicContact CG1-CG 4.47Å; I119-Y175 HydrophobicContact CG2-CD1 4.03Å; I119-Y175 HydrophobicContact CG2-CD2 4.44Å; I119-Y175 HydrophobicContact CG2-CE1 3.89Å; I119-Y175 HydrophobicContact CG2-CE2 4.33Å; I119-Y175 HydrophobicContact CG2-CG 4.29Å; L171-Y175 HydrophobicContact CB-CD2 4.49Å; L171-Y175 HydrophobicContact CD2-CE2 4.11Å; L171-Y175 WeakPolarHBondContact O-CB 3.34Å; L171-Y175 WeakPolarHBondContact O-CD2 3.32Å; L171-Y175 PolarHBondContact O-N 3.36Å; V173-Y175 VanDerWaalsContact C-N 3.27Å; V173-Y175 PolarHBondContact O-N 2.59Å; Y175-Q177 VanDerWaalsContact C-N 3.28Å; Y175-Q177 PolarHBondContact O-N 3.18Å |
| 176 | S | 92.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 35.4 | 177.2 | -51.8 | 0 | 0 | 0 | 0 | 114.6 | C172 V173 L178 | C172-S176 CarbonylContact O-C 3.57Å; C172-S176 PolarHBondContact O-N 3.27Å; C172-S176 VanDerWaalsContact O-N 3.11Å; V173-S176 PolarHBondContact O-N 3.5Å; S176-L178 PolarHBondContact O-N 3.31Å; S176-L178 VanDerWaalsContact O-N 3.12Å |
| 177 | Q | 92.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 21% | 0.206 | 14% | 0.141 | C | C | . | . | trans | -86.4 | 70.5 | -176.7 | -63.5 | -75.3 | 3.8 | 0 | 0 | 111 | V118 I119 C172 Y175 V180 L181 | V118-Q177 WeakPolarHBondContact O-CG 3.21Å; I119-Q177 PolarHBondContact O-NE2 2.86Å; C172-Q177 PolarHBondContact O-N 2.98Å; Y175-Q177 VanDerWaalsContact C-N 3.28Å; Y175-Q177 PolarHBondContact O-N 3.18Å; Q177-V180 HydrophobicContact CB-CB 4.07Å; Q177-V180 HydrophobicContact CB-CG2 4.1Å; Q177-V180 PolarHBondContact O-N 2.92Å; Q177-L181 PolarHBondContact O-N 3.37Å | ||
| 178 | L | 93 | Very high | 90.4 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | -176 | -67.6 | 170.3 | 0 | 0 | 0 | 113 | S176 V180 L181 N182 Q219 L223 L226 | S176-L178 PolarHBondContact O-N 3.31Å; S176-L178 VanDerWaalsContact O-N 3.12Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 2.99Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 2.87Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L178-N182 WeakPolarHBondContact O-CB 3.27Å; L178-N182 PolarHBondContact O-N 3.16Å; L178-Q219 HydrophobicContact CD1-CB 4.07Å; L178-Q219 HydrophobicContact CD1-CG 3.9Å; L178-L223 HydrophobicContact CD2-CB 3.96Å; L178-L223 HydrophobicContact CD2-CD1 3.9Å; L178-L223 HydrophobicContact CD2-CG 4.46Å; L178-L226 HydrophobicContact CD2-CD1 4.17Å |
| 179 | D | 92.7 | Very high | 89.2 | Confident | 111 Ų | 111 | 37.1 Ų | 37.1 | 59% | 0.594 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.9 | -38.9 | 179.7 | -61.8 | -48 | 0 | 0 | 0 | 112.3 | I123 Y183 | I123-D179 HydrophobicContact CD1-CB 3.58Å; D179-Y183 VanDerWaalsContact O-CB 3.3Å; D179-Y183 WeakPolarHBondContact O-CB 3.45Å; D179-Y183 PolarHBondContact O-N 3.2Å |
| 180 | V | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 175 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | V118 I123 L126 Q177 L178 Y183 L184 | V118-V180 HydrophobicContact CG1-CG1 4.39Å; V118-V180 HydrophobicContact CG2-CG1 4.14Å; I123-V180 HydrophobicContact CD1-CG2 4.46Å; I123-V180 HydrophobicContact CG1-CG2 3.78Å; L126-V180 HydrophobicContact CD1-CG1 3.63Å; Q177-V180 HydrophobicContact CB-CB 4.07Å; Q177-V180 HydrophobicContact CB-CG2 4.1Å; Q177-V180 PolarHBondContact O-N 2.92Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 2.99Å; V180-Y183 PolarHBondContact O-N 3.44Å; V180-L184 HydrophobicContact CG1-CD1 3.82Å; V180-L184 HydrophobicContact CG1-CG 4.29Å; V180-L184 WeakPolarHBondContact O-CB 3.35Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 3.15Å |
| 181 | L | 93.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 178.6 | -177.6 | 61.4 | 0 | 0 | 0 | 111.2 | I169 C172 Q177 L178 L184 L185 L223 L226 L227 | I169-L181 HydrophobicContact CG2-CD1 3.88Å; C172-L181 HydrophobicContact CB-CB 4.05Å; C172-L181 HydrophobicContact CB-CD1 4.17Å; Q177-L181 PolarHBondContact O-N 3.37Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 2.87Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L181-L184 PolarHBondContact O-N 3.14Å; L181-L185 HydrophobicContact CD1-CD1 3.77Å; L181-L185 HydrophobicContact CD1-CG 4.1Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.22Å; L181-L223 HydrophobicContact CD2-CD1 3.49Å; L181-L223 VanDerWaalsContact CD2-CD1 3.49Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CD2-CB 3.97Å; L181-L226 HydrophobicContact CD2-CD1 4.04Å; L181-L226 HydrophobicContact CG-CB 4.31Å; L181-L226 HydrophobicContact CG-CD1 4.24Å; L181-L227 HydrophobicContact CD1-CD2 4.22Å; L181-L227 HydrophobicContact CD2-CD2 4.04Å; L181-L227 HydrophobicContact CD2-CG 4.17Å |
| 182 | N | 92 | Very high | 85.5 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.3 | -173.1 | 8.3 | 0 | 0 | 0 | 111.2 | L178 L184 L185 T186 L226 | L178-N182 WeakPolarHBondContact O-CB 3.27Å; L178-N182 PolarHBondContact O-N 3.16Å; N182-L184 PolarHBondContact O-N 2.95Å; N182-L185 PolarHBondContact O-N 3.43Å; N182-T186 WeakPolarHBondContact O-CB 3.38Å; N182-T186 WeakPolarHBondContact O-CG2 2.85Å; N182-T186 PolarHBondContact O-N 2.87Å; N182-T186 PolarHBondContact O-OG1 3.33Å; N182-T186 VanDerWaalsContact OD1-CG2 3.29Å; N182-T186 WeakPolarHBondContact OD1-CG2 3.32Å; N182-L226 HydrophobicContact CB-CD1 4.16Å; N182-L226 HydrophobicContact CB-CD2 3.73Å |
| 183 | Y | 90.8 | Very high | 84.7 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 176.2 | 175.8 | -103.4 | 0 | 0 | 0 | 112.8 | I123 L126 K127 N130 D179 V180 S187 | I123-Y183 HydrophobicContact CG2-CD1 4.01Å; I123-Y183 HydrophobicContact CG2-CD2 4.12Å; I123-Y183 HydrophobicContact CG2-CE1 4.49Å; I123-Y183 HydrophobicContact CG2-CG 3.82Å; L126-Y183 HydrophobicContact CB-CD1 4.37Å; L126-Y183 HydrophobicContact CB-CE1 3.96Å; K127-Y183 WeakPolarHBondContact CA-OH 3.35Å; K127-Y183 HydrophobicContact CG-CE1 4.39Å; K127-Y183 HydrophobicContact CG-CE2 3.9Å; K127-Y183 WeakPolarHBondContact CG-OH 3.47Å; N130-Y183 PolarHBondContact ND2-OH 3.41Å; D179-Y183 VanDerWaalsContact O-CB 3.3Å; D179-Y183 WeakPolarHBondContact O-CB 3.45Å; D179-Y183 PolarHBondContact O-N 3.2Å; V180-Y183 PolarHBondContact O-N 3.44Å; Y183-S187 VanDerWaalsContact O-CB 3.27Å; Y183-S187 WeakPolarHBondContact O-CB 3.46Å; Y183-S187 PolarHBondContact O-N 3.04Å; Y183-S187 VanDerWaalsContact O-N 3.09Å; Y183-S187 PolarHBondContact O-OG 3.3Å |
| 184 | L | 89.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | -179.8 | -72.6 | 171.2 | 0 | 0 | 0 | 112.2 | L126 I168 V180 L181 N182 M194 | L126-L184 HydrophobicContact CD1-CD2 4.39Å; I168-L184 HydrophobicContact CD1-CD1 4.06Å; I168-L184 HydrophobicContact CD1-CD2 4.39Å; V180-L184 HydrophobicContact CG1-CD1 3.82Å; V180-L184 HydrophobicContact CG1-CG 4.29Å; V180-L184 WeakPolarHBondContact O-CB 3.35Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 3.15Å; L181-L184 PolarHBondContact O-N 3.14Å; N182-L184 PolarHBondContact O-N 2.95Å; L184-M194 HydrophobicContact CB-SD 4.48Å; L184-M194 HydrophobicContact CD2-CE 3.92Å |
| 185 | L | 87.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.5 | -32 | -176.7 | -66.2 | 177.1 | 0 | 0 | 0 | 113.7 | I169 L181 N182 H191 M194 V198 L226 I230 | I169-L185 HydrophobicContact CD1-CD2 4.43Å; L181-L185 HydrophobicContact CD1-CD1 3.77Å; L181-L185 HydrophobicContact CD1-CG 4.1Å; L181-L185 HydrophobicContact CG-CD1 3.89Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 VanDerWaalsContact O-CG 3.29Å; L181-L185 WeakPolarHBondContact O-CG 3.34Å; L181-L185 PolarHBondContact O-N 3.22Å; N182-L185 PolarHBondContact O-N 3.43Å; L185-H191 PolarHBondContact O-ND1 3.28Å; L185-M194 HydrophobicContact CD2-CB 4.1Å; L185-V198 HydrophobicContact CD2-CG2 3.74Å; L185-L226 HydrophobicContact CD1-CB 4.19Å; L185-L226 VanDerWaalsContact CD1-O 3.23Å; L185-L226 WeakPolarHBondContact CD1-O 3.41Å; L185-I230 HydrophobicContact CB-CG2 3.92Å |
| 186 | T | 86.4 | Confident | 82.6 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 49% | 0.485 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -89.1 | -15.5 | 179.6 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | N182 S188 | N182-T186 WeakPolarHBondContact O-CB 3.38Å; N182-T186 WeakPolarHBondContact O-CG2 2.85Å; N182-T186 PolarHBondContact O-N 2.87Å; N182-T186 PolarHBondContact O-OG1 3.33Å; N182-T186 VanDerWaalsContact OD1-CG2 3.29Å; N182-T186 WeakPolarHBondContact OD1-CG2 3.32Å; T186-S188 PolarHBondContact O-N 3.02Å; T186-S188 VanDerWaalsContact O-N 3.15Å |
| 187 | S | 82.5 | Confident | 82.4 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | trans | -57.8 | 114.9 | 177.2 | -79.4 | 0 | 0 | 0 | 0 | 112.9 | Y183 N189 H190 H191 | Y183-S187 VanDerWaalsContact O-CB 3.27Å; Y183-S187 WeakPolarHBondContact O-CB 3.46Å; Y183-S187 PolarHBondContact O-N 3.04Å; Y183-S187 VanDerWaalsContact O-N 3.09Å; Y183-S187 PolarHBondContact O-OG 3.3Å; S187-N189 PolarHBondContact O-N 3.22Å; S187-N189 VanDerWaalsContact O-N 3.09Å; S187-H190 PolarHBondContact O-N 3.19Å; S187-H191 PolarHBondContact O-N 3.07Å; S187-H191 VanDerWaalsContact O-N 3.16Å | ||
| 188 | S | 62.8 | Low | 82.4 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -39.9 | -177.6 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | T186 H190 | T186-S188 PolarHBondContact O-N 3.02Å; T186-S188 VanDerWaalsContact O-N 3.15Å; S188-H190 PolarHBondContact O-N 2.92Å |
| 189 | N | 67.5 | Low | 82.4 | Confident | 107 Ų | 107 | 49.8 Ų | 49.8 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.6 | -173.9 | -61.1 | 2.3 | 0 | 0 | 0 | 112.8 | S187 | S187-N189 PolarHBondContact O-N 3.22Å; S187-N189 VanDerWaalsContact O-N 3.09Å |
| 190 | H | 65.3 | Low | 82.4 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | -0.8 | -170.9 | -62.7 | 113.2 | 0 | 0 | 0 | 114.2 | N130 S187 S188 N192 Y193 M194 | N130-H190 PolarHBondContact OD1-CE1 3.48Å; N130-H190 PolarHBondContact OD1-ND1 3.37Å; S187-H190 PolarHBondContact O-N 3.19Å; S188-H190 PolarHBondContact O-N 2.92Å; H190-N192 PolarHBondContact O-N 3.06Å; H190-Y193 CarbonylContact O-C 3.59Å; H190-Y193 WeakPolarHBondContact O-CA 3.16Å; H190-Y193 PolarHBondContact O-N 3.05Å; H190-M194 HydrophobicContact CB-CE 3.95Å; H190-M194 HydrophobicContact CB-CG 3.84Å; H190-M194 WeakPolarHBondContact O-CG 3.42Å; H190-M194 PolarHBondContact O-N 3.4Å |
| 191 | H | 67.3 | Low | 82.5 | Confident | 61 Ų | 61 | 52 Ų | 52 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -51.1 | -49.3 | -169.8 | -174.4 | 69.7 | 0 | 0 | 0 | 114.6 | L185 S187 K195 | L185-H191 PolarHBondContact O-ND1 3.28Å; S187-H191 PolarHBondContact O-N 3.07Å; S187-H191 VanDerWaalsContact O-N 3.16Å; H191-K195 PolarHBondContact CE1-NZ 3.33Å; H191-K195 VanDerWaalsContact NE2-CE 3.33Å; H191-K195 WeakPolarHBondContact NE2-CE 3.43Å; H191-K195 PolarHBondContact NE2-NZ 3.13Å; H191-K195 WeakPolarHBondContact O-CG 3.12Å; H191-K195 PolarHBondContact O-N 3.03Å |
| 192 | N | 73.1 | Confident | 82.5 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 68% | 0.684 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 177.2 | -69 | -13 | 0 | 0 | 0 | 112.5 | H190 K195 E196 | H190-N192 PolarHBondContact O-N 3.06Å; N192-K195 PolarHBondContact O-N 3.45Å; N192-E196 PolarHBondContact O-N 3.39Å |
| 193 | Y | 76.4 | Confident | 82.5 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.3 | -34.8 | -178.3 | 178.2 | -116.4 | 0 | 0 | 0 | 112.2 | D136 M137 K138 H190 E196 I197 | D136-Y193 PolarHBondContact OD1-OH 3.46Å; M137-Y193 HydrophobicContact CB-CE1 3.72Å; M137-Y193 HydrophobicContact CG-CE1 4.15Å; M137-Y193 PolarHBondContact N-OH 3.03Å; M137-Y193 VanDerWaalsContact N-OH 3.15Å; K138-Y193 HydrophobicContact CD-CE2 3.86Å; K138-Y193 HydrophobicContact CG-CE2 4.08Å; K138-Y193 PolarHBondContact N-OH 3.28Å; H190-Y193 CarbonylContact O-C 3.59Å; H190-Y193 WeakPolarHBondContact O-CA 3.16Å; H190-Y193 PolarHBondContact O-N 3.05Å; Y193-E196 WeakPolarHBondContact O-CB 3.47Å; Y193-E196 PolarHBondContact O-N 3Å; Y193-I197 HydrophobicContact CD1-CD1 4.01Å; Y193-I197 HydrophobicContact CE1-CD1 3.86Å; Y193-I197 WeakPolarHBondContact O-CG1 3.36Å; Y193-I197 PolarHBondContact O-N 2.78Å |
| 194 | M | 78.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 174.8 | -68.1 | -69.2 | 172.9 | 0 | 0 | 111.9 | M137 I168 L184 L185 H190 E196 I197 V198 | M137-M194 HydrophobicContact CB-CE 3.83Å; M137-M194 HydrophobicContact CG-CE 3.71Å; I168-M194 HydrophobicContact CD1-CE 4.12Å; I168-M194 HydrophobicContact CD1-SD 4.26Å; L184-M194 HydrophobicContact CB-SD 4.48Å; L184-M194 HydrophobicContact CD2-CE 3.92Å; L185-M194 HydrophobicContact CD2-CB 4.1Å; H190-M194 HydrophobicContact CB-CE 3.95Å; H190-M194 HydrophobicContact CB-CG 3.84Å; H190-M194 WeakPolarHBondContact O-CG 3.42Å; H190-M194 PolarHBondContact O-N 3.4Å; M194-E196 PolarHBondContact O-N 2.69Å; M194-I197 WeakPolarHBondContact O-CA 3.39Å; M194-I197 PolarHBondContact O-N 3.33Å; M194-I197 HydrophobicContact SD-CD1 3.96Å; M194-V198 WeakPolarHBondContact O-CG2 3.01Å; M194-V198 PolarHBondContact O-N 3.32Å |
| 195 | K | 78.2 | Confident | 82.5 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 35% | 0.348 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -32.8 | 172.5 | -77.5 | 177.4 | 162.3 | 172.1 | 0 | 113.1 | H191 N192 I230 | H191-K195 PolarHBondContact CE1-NZ 3.33Å; H191-K195 VanDerWaalsContact NE2-CE 3.33Å; H191-K195 WeakPolarHBondContact NE2-CE 3.43Å; H191-K195 PolarHBondContact NE2-NZ 3.13Å; H191-K195 WeakPolarHBondContact O-CG 3.12Å; H191-K195 PolarHBondContact O-N 3.03Å; N192-K195 PolarHBondContact O-N 3.45Å; K195-I230 WeakPolarHBondContact CE-O 3.41Å |
| 196 | E | 79.9 | Confident | 82.9 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 170.3 | -61 | -179.8 | 178 | 0 | 0 | 111.9 | K138 N192 Y193 M194 | K138-E196 IonicContact NZ-OE2 2.79Å; K138-E196 PolarHBondContact NZ-OE2 3.5Å; N192-E196 PolarHBondContact O-N 3.39Å; Y193-E196 WeakPolarHBondContact O-CB 3.47Å; Y193-E196 PolarHBondContact O-N 3Å; M194-E196 PolarHBondContact O-N 2.69Å |
| 197 | I | 88.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.6 | -28.9 | -176.6 | -61 | 164.9 | 0 | 0 | 0 | 112.7 | M137 K138 T167 I169 Y193 M194 N199 E200 | M137-I197 HydrophobicContact CB-CD1 3.98Å; K138-I197 HydrophobicContact CG-CD1 3.9Å; K138-I197 HydrophobicContact CG-CG1 3.66Å; T167-I197 HydrophobicContact CG2-CG2 4.16Å; I169-I197 HydrophobicContact CD1-CB 3.98Å; I169-I197 HydrophobicContact CD1-CG2 3.74Å; I169-I197 HydrophobicContact CG1-CG2 3.91Å; Y193-I197 HydrophobicContact CD1-CD1 4.01Å; Y193-I197 HydrophobicContact CE1-CD1 3.86Å; Y193-I197 WeakPolarHBondContact O-CG1 3.36Å; Y193-I197 PolarHBondContact O-N 2.78Å; M194-I197 WeakPolarHBondContact O-CA 3.39Å; M194-I197 PolarHBondContact O-N 3.33Å; M194-I197 HydrophobicContact SD-CD1 3.96Å; I197-N199 PolarHBondContact O-N 3.49Å; I197-E200 WeakPolarHBondContact O-CB 3.24Å; I197-E200 PolarHBondContact O-N 2.81Å; I197-E200 VanDerWaalsContact O-N 3.15Å |
| 198 | V | 91.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -34.7 | -179.2 | 167.4 | 0 | 0 | 0 | 0 | 112.3 | I169 L185 M194 A233 | I169-V198 HydrophobicContact CD1-CB 4.34Å; I169-V198 HydrophobicContact CD1-CG2 3.52Å; L185-V198 HydrophobicContact CD2-CG2 3.74Å; M194-V198 WeakPolarHBondContact O-CG2 3.01Å; M194-V198 PolarHBondContact O-N 3.32Å; V198-A233 HydrophobicContact CG1-CB 3.52Å |
| 199 | N | 93.4 | Very high | 85.5 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 6.7 | -177.9 | -68.9 | -59.8 | 0 | 0 | 0 | 113.8 | I197 G232 N234 | I197-N199 PolarHBondContact O-N 3.49Å; N199-G232 PolarHBondContact ND2-O 2.92Å; N199-N234 WeakPolarHBondContact OD1-CB 3.45Å; N199-N234 PolarHBondContact OD1-N 3.38Å |
| 200 | E | 93.9 | Very high | 86.9 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | trans | -63.8 | 147.3 | 171.5 | -79.6 | -72.1 | 158.4 | 0 | 0 | 111.1 | K140 T167 H170 I197 | K140-E200 WeakPolarHBondContact CE-OE2 3.46Å; K140-E200 IonicContact NZ-OE2 3.75Å; K140-E200 PolarHBondContact NZ-OE2 3.01Å; T167-E200 HydrophobicContact CG2-CB 3.7Å; T167-E200 HydrophobicContact CG2-CG 4.22Å; H170-E200 PolarHBondContact CE1-O 3.42Å; I197-E200 WeakPolarHBondContact O-CB 3.24Å; I197-E200 PolarHBondContact O-N 2.81Å; I197-E200 VanDerWaalsContact O-N 3.15Å | ||
| 201 | Y | 94.3 | Very high | 88.4 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 37% | 0.373 | 20% | 0.199 | S | C | . | . | trans | -96.8 | 141.8 | 174.8 | -63.3 | -67.2 | 0 | 0 | 0 | 111.1 | K140 G205 A206 T207 A237 | K140-Y201 PolarHBondContact NZ-O 3.12Å; Y201-G205 WeakPolarHBondContact CD1-O 3.32Å; Y201-G205 WeakPolarHBondContact CE1-O 3.37Å; Y201-A206 WeakPolarHBondContact CA-O 3.23Å; Y201-T207 HydrophobicContact CD1-CG2 3.47Å; Y201-T207 VanDerWaalsContact CD1-CG2 3.47Å; Y201-T207 HydrophobicContact CE1-CG2 3.4Å; Y201-T207 HydrophobicContact CG-CG2 4.46Å; Y201-A237 HydrophobicContact CE1-CB 4.32Å | ||
| 202 | D | 93.9 | Very high | 89.7 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | trans | -78.7 | -177.3 | 163.4 | 78.7 | 0.4 | 0 | 0 | 0 | 112.1 | G165 R166 Q204 G205 A206 Y211 | G165-D202 WeakPolarHBondContact O-CA 3.26Å; R166-D202 HydrophobicContact CG-CB 3.92Å; R166-D202 IonicContact NE-OD2 2.69Å; D202-Q204 PolarHBondContact O-N 2.82Å; D202-Q204 WeakPolarHBondContact OD1-CA 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.29Å; D202-Q204 PolarHBondContact OD1-N 3.08Å; D202-G205 WeakPolarHBondContact O-CA 3.44Å; D202-G205 PolarHBondContact O-N 3.37Å; D202-G205 PolarHBondContact OD1-N 3.19Å; D202-A206 PolarHBondContact N-O 2.95Å; D202-A206 PolarHBondContact OD1-N 3.31Å; D202-Y211 VanDerWaalsContact OD2-CE2 3.28Å; D202-Y211 WeakPolarHBondContact OD2-CE2 3.06Å; D202-Y211 PolarHBondContact OD2-OH 2.87Å | ||
| 203 | D | 91.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 51% | 0.513 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.8 | -178.5 | -68.1 | -14.9 | 0 | 0 | 0 | 113.6 | T164 G165 G205 | T164-D203 WeakPolarHBondContact CB-OD2 3.03Å; T164-D203 PolarHBondContact O-N 3.09Å; T164-D203 WeakPolarHBondContact OG1-CB 3.13Å; T164-D203 PolarHBondContact OG1-OD2 3.49Å; G165-D203 WeakPolarHBondContact CA-OD1 3.37Å; G165-D203 PolarHBondContact N-OD2 2.67Å; G165-D203 VanDerWaalsContact N-OD2 3.17Å; D203-G205 VanDerWaalsContact C-N 3.32Å |
| 204 | Q | 87.2 | Confident | 91.5 | Very high | 83 Ų | 83 | 34.9 Ų | 34.9 | 39% | 0.388 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.5 | 169.2 | -54.5 | -56.7 | -68.7 | 0 | 0 | 111.8 | D202 A206 T240 | D202-Q204 PolarHBondContact O-N 2.82Å; D202-Q204 WeakPolarHBondContact OD1-CA 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.29Å; D202-Q204 PolarHBondContact OD1-N 3.08Å; Q204-A206 PolarHBondContact O-N 3.35Å; Q204-T240 WeakPolarHBondContact O-CB 3.47Å; Q204-T240 WeakPolarHBondContact O-CG2 3.31Å; Q204-T240 PolarHBondContact O-N 3.3Å; Q204-T240 PolarHBondContact O-OG1 3.47Å |
| 205 | G | 92.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 70.5 | 11 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y201 D202 D203 D239 | Y201-G205 WeakPolarHBondContact CD1-O 3.32Å; Y201-G205 WeakPolarHBondContact CE1-O 3.37Å; D202-G205 WeakPolarHBondContact O-CA 3.44Å; D202-G205 PolarHBondContact O-N 3.37Å; D202-G205 PolarHBondContact OD1-N 3.19Å; D203-G205 VanDerWaalsContact C-N 3.32Å; G205-D239 VanDerWaalsContact O-CA 3.29Å; G205-D239 WeakPolarHBondContact O-CA 2.81Å |
| 206 | A | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -83.4 | 144 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | H170 Y201 D202 Q204 H210 Y211 W248 | H170-A206 PolarHBondContact NE2-O 3.31Å; Y201-A206 WeakPolarHBondContact CA-O 3.23Å; D202-A206 PolarHBondContact N-O 2.95Å; D202-A206 PolarHBondContact OD1-N 3.31Å; Q204-A206 PolarHBondContact O-N 3.35Å; A206-H210 HydrophobicContact CB-CB 4.04Å; A206-Y211 HydrophobicContact CB-CD2 4.3Å; A206-Y211 HydrophobicContact CB-CE2 3.65Å; A206-W248 HydrophobicContact CB-CH2 4.04Å; A206-W248 HydrophobicContact CB-CZ2 4.15Å | ||
| 207 | T | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -93.5 | 168.8 | 166.9 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | H170 Y201 L209 H210 A237 | H170-T207 WeakPolarHBondContact NE2-CA 3.42Å; Y201-T207 HydrophobicContact CD1-CG2 3.47Å; Y201-T207 VanDerWaalsContact CD1-CG2 3.47Å; Y201-T207 HydrophobicContact CE1-CG2 3.4Å; Y201-T207 HydrophobicContact CG-CG2 4.46Å; T207-L209 PolarHBondContact O-N 2.92Å; T207-L209 VanDerWaalsContact O-N 3.14Å; T207-L209 PolarHBondContact OG1-N 3Å; T207-H210 PolarHBondContact N-ND1 3.48Å; T207-H210 VanDerWaalsContact N-ND1 3.14Å; T207-H210 WeakPolarHBondContact O-CB 3.25Å; T207-H210 PolarHBondContact O-N 3.31Å; T207-H210 PolarHBondContact OG1-ND1 3.01Å; T207-A237 HydrophobicContact CG2-CB 3.8Å | ||
| 208 | A | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.9 | -33.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I169 H170 V173 H210 Y211 S212 L227 | I169-A208 HydrophobicContact CB-CB 4.46Å; I169-A208 HydrophobicContact CG2-CB 3.69Å; H170-A208 PolarHBondContact CD2-N 3.41Å; H170-A208 PolarHBondContact NE2-N 3.37Å; H170-A208 VanDerWaalsContact NE2-N 3.19Å; V173-A208 HydrophobicContact CG2-CB 3.97Å; A208-H210 VanDerWaalsContact C-N 3.28Å; A208-H210 PolarHBondContact O-N 3.02Å; A208-Y211 PolarHBondContact O-N 2.97Å; A208-S212 PolarHBondContact O-N 2.91Å; A208-L227 HydrophobicContact CB-CD2 4.29Å |
| 209 | L | 96.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.8 | -17.1 | 177 | -170.7 | 64.8 | 0 | 0 | 0 | 113.8 | T207 S212 F224 L227 I228 A233 L235 P245 | T207-L209 PolarHBondContact O-N 2.92Å; T207-L209 VanDerWaalsContact O-N 3.14Å; T207-L209 PolarHBondContact OG1-N 3Å; L209-S212 PolarHBondContact O-OG 3.43Å; L209-F224 HydrophobicContact CD1-CD1 4.32Å; L209-F224 HydrophobicContact CD1-CE1 4.31Å; L209-L227 HydrophobicContact CD1-CD1 4.22Å; L209-I228 HydrophobicContact CD1-CD1 3.92Å; L209-I228 HydrophobicContact CD1-CG1 3.99Å; L209-I228 HydrophobicContact CD2-CD1 4.46Å; L209-I228 HydrophobicContact CD2-CG1 4.22Å; L209-A233 HydrophobicContact CB-CB 4.35Å; L209-A233 HydrophobicContact CD2-CB 4.02Å; L209-L235 HydrophobicContact CD2-CD2 4.42Å; L209-P245 HydrophobicContact CB-CG 4.26Å; L209-P245 HydrophobicContact CD2-CB 4.43Å; L209-P245 HydrophobicContact CD2-CG 3.97Å; L209-P245 HydrophobicContact CG-CB 4.09Å; L209-P245 HydrophobicContact CG-CG 3.85Å |
| 210 | H | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.9 | -39 | 170.9 | -69.5 | 77.7 | 0 | 0 | 0 | 111.3 | A206 T207 A208 V213 A237 R243 W248 | A206-H210 HydrophobicContact CB-CB 4.04Å; T207-H210 PolarHBondContact N-ND1 3.48Å; T207-H210 VanDerWaalsContact N-ND1 3.14Å; T207-H210 WeakPolarHBondContact O-CB 3.25Å; T207-H210 PolarHBondContact O-N 3.31Å; T207-H210 PolarHBondContact OG1-ND1 3.01Å; A208-H210 VanDerWaalsContact C-N 3.28Å; A208-H210 PolarHBondContact O-N 3.02Å; H210-V213 WeakPolarHBondContact O-CG2 3.47Å; H210-A237 PolarHBondContact CE1-O 2.95Å; H210-A237 PolarHBondContact NE2-O 3.29Å; H210-A237 VanDerWaalsContact NE2-O 3.13Å; H210-R243 PolarHBondContact NE2-O 3.28Å; H210-W248 HydrophobicContact CB-CD2 3.97Å; H210-W248 HydrophobicContact CB-CE3 3.95Å; H210-W248 HydrophobicContact CB-CH2 4.24Å; H210-W248 HydrophobicContact CB-CZ2 4.27Å; H210-W248 HydrophobicContact CB-CZ3 4.08Å; H210-W248 AromaticContact CD2-CD1 3.75Å; H210-W248 AromaticContact CD2-CE2 3.85Å; H210-W248 AromaticContact CD2-NE1 3.63Å |
| 211 | Y | 95.5 | Very high | 93.1 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.1 | -27.7 | 179.7 | -70.9 | -80.4 | 0 | 0 | 0 | 113 | R166 H170 I174 D202 A206 A208 V213 Q214 W248 | R166-Y211 PolarHBondContact NE-OH 2.8Å; R166-Y211 PolarHBondContact NH2-OH 3.33Å; R166-Y211 VanDerWaalsContact NH2-OH 3.11Å; H170-Y211 AromaticContact CD2-CD2 3.85Å; H170-Y211 AromaticContact CD2-CE2 3.82Å; I174-Y211 HydrophobicContact CD1-CD1 3.91Å; I174-Y211 HydrophobicContact CD1-CD2 4.31Å; I174-Y211 HydrophobicContact CD1-CE1 3.98Å; I174-Y211 HydrophobicContact CD1-CE2 4.37Å; I174-Y211 HydrophobicContact CD1-CG 4.06Å; I174-Y211 HydrophobicContact CG1-CD1 3.79Å; I174-Y211 HydrophobicContact CG1-CE1 4.35Å; I174-Y211 HydrophobicContact CG1-CG 3.89Å; D202-Y211 VanDerWaalsContact OD2-CE2 3.28Å; D202-Y211 WeakPolarHBondContact OD2-CE2 3.06Å; D202-Y211 PolarHBondContact OD2-OH 2.87Å; A206-Y211 HydrophobicContact CB-CD2 4.3Å; A206-Y211 HydrophobicContact CB-CE2 3.65Å; A208-Y211 PolarHBondContact O-N 2.97Å; Y211-V213 PolarHBondContact O-N 2.97Å; Y211-V213 VanDerWaalsContact O-N 3.17Å; Y211-Q214 WeakPolarHBondContact O-CB 3.22Å; Y211-Q214 PolarHBondContact O-N 3.31Å; Y211-W248 HydrophobicContact CD1-CZ3 4.34Å; Y211-W248 HydrophobicContact CE1-CZ3 4.44Å |
| 212 | S | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -61.6 | -27.6 | -176 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | V173 A208 L209 Q214 V215 L223 F224 | V173-S212 VanDerWaalsContact CG1-CA 3.44Å; V173-S212 VanDerWaalsContact CG1-N 3.33Å; A208-S212 PolarHBondContact O-N 2.91Å; L209-S212 PolarHBondContact O-OG 3.43Å; S212-Q214 PolarHBondContact O-N 2.94Å; S212-V215 WeakPolarHBondContact O-CB 3.35Å; S212-V215 PolarHBondContact O-N 3.48Å; S212-L223 VanDerWaalsContact CB-CD2 3.47Å; S212-F224 VanDerWaalsContact OG-CE1 3.29Å; S212-F224 WeakPolarHBondContact OG-CE1 3.27Å |
| 213 | V | 94.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -71.7 | -11.2 | 179.6 | -43.4 | 0 | 0 | 0 | 0 | 113.5 | H210 Y211 F224 W248 A249 S254 A257 L261 | H210-V213 WeakPolarHBondContact O-CG2 3.47Å; Y211-V213 PolarHBondContact O-N 2.97Å; Y211-V213 VanDerWaalsContact O-N 3.17Å; V213-F224 HydrophobicContact CG1-CZ 4.29Å; V213-W248 HydrophobicContact CG2-CB 3.86Å; V213-A249 HydrophobicContact CB-CB 3.87Å; V213-A249 HydrophobicContact CG1-CB 3.98Å; V213-A249 HydrophobicContact CG2-CB 4.2Å; V213-S254 VanDerWaalsContact O-CB 3.25Å; V213-S254 WeakPolarHBondContact O-CB 3.25Å; V213-S254 PolarHBondContact O-OG 3.36Å; V213-A257 HydrophobicContact CB-CB 4.03Å; V213-A257 HydrophobicContact CG1-CB 4.2Å; V213-L261 HydrophobicContact CG1-CD1 4.36Å |
| 214 | Q | 93.2 | Very high | 93.3 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 51% | 0.514 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -92.9 | -7.2 | 175.9 | -59.2 | -179.1 | -4.4 | 0 | 0 | 113 | Y211 S212 V252 | Y211-Q214 WeakPolarHBondContact O-CB 3.22Å; Y211-Q214 PolarHBondContact O-N 3.31Å; S212-Q214 PolarHBondContact O-N 2.94Å; Q214-V252 HydrophobicContact CG-CG2 4.09Å |
| 215 | V | 90.8 | Very high | 93.6 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.6 | 160.5 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | V173 S212 Q219 L223 | V173-V215 HydrophobicContact CG1-CG2 4.23Å; S212-V215 WeakPolarHBondContact O-CB 3.35Å; S212-V215 PolarHBondContact O-N 3.48Å; V215-Q219 HydrophobicContact CG1-CB 3.96Å; V215-L223 HydrophobicContact CB-CD2 4.04Å; V215-L223 HydrophobicContact CG1-CD2 4.21Å; V215-L223 HydrophobicContact CG2-CD2 3.78Å |
| 216 | N | 90.2 | Very high | 93.6 | Very high | 113 Ų | 113 | 40.2 Ų | 40.2 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | trans | -56.5 | 138.3 | 177.7 | -63.6 | -52.1 | 0 | 0 | 0 | 111.7 | E218 Q219 | N216-E218 PolarHBondContact O-N 3.41Å; N216-E218 VanDerWaalsContact O-N 3.12Å; N216-Q219 PolarHBondContact O-N 3.11Å | ||
| 217 | A | 87.4 | Confident | 93.5 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.9 | -36.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q219 I220 H256 | A217-Q219 PolarHBondContact O-N 3.32Å; A217-Q219 VanDerWaalsContact O-N 3.17Å; A217-I220 HydrophobicContact CB-CD1 4.42Å; A217-I220 PolarHBondContact O-N 3.5Å; A217-H256 PolarHBondContact O-CD2 3.23Å |
| 218 | E | 90.4 | Very high | 93.4 | Very high | 190 Ų | 190 | 41.1 Ų | 41.1 | 89% | 0.888 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63 | -18.1 | 179.1 | -62.4 | 175 | -176 | 0 | 0 | 113.6 | N216 | N216-E218 PolarHBondContact O-N 3.41Å; N216-E218 VanDerWaalsContact O-N 3.12Å |
| 219 | Q | 91.7 | Very high | 93.2 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -106 | -7.9 | -178.3 | -67.9 | 177.6 | -52.7 | 0 | 0 | 113.1 | L178 V215 N216 A217 D221 L223 | L178-Q219 HydrophobicContact CD1-CB 4.07Å; L178-Q219 HydrophobicContact CD1-CG 3.9Å; V215-Q219 HydrophobicContact CG1-CB 3.96Å; N216-Q219 PolarHBondContact O-N 3.11Å; A217-Q219 PolarHBondContact O-N 3.32Å; A217-Q219 VanDerWaalsContact O-N 3.17Å; Q219-D221 PolarHBondContact O-N 3.02Å; Q219-L223 WeakPolarHBondContact O-CB 3.46Å; Q219-L223 PolarHBondContact O-N 3.14Å |
| 220 | I | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | -171.9 | -69.7 | 177.6 | 0 | 0 | 0 | 111.7 | A217 L223 F224 A257 | A217-I220 HydrophobicContact CB-CD1 4.42Å; A217-I220 PolarHBondContact O-N 3.5Å; I220-L223 PolarHBondContact O-N 3.07Å; I220-F224 HydrophobicContact CG2-CD1 4.08Å; I220-F224 HydrophobicContact CG2-CD2 4.03Å; I220-F224 HydrophobicContact CG2-CE1 3.82Å; I220-F224 HydrophobicContact CG2-CE2 3.75Å; I220-F224 HydrophobicContact CG2-CG 4.19Å; I220-F224 HydrophobicContact CG2-CZ 3.66Å; I220-F224 VanDerWaalsContact O-CB 3.28Å; I220-F224 WeakPolarHBondContact O-CB 3.41Å; I220-F224 WeakPolarHBondContact O-CD1 3.41Å; I220-F224 WeakPolarHBondContact O-CG 3.48Å; I220-F224 PolarHBondContact O-N 2.96Å; I220-A257 HydrophobicContact CD1-CB 4.14Å; I220-A257 HydrophobicContact CG2-CB 4.39Å |
| 221 | D | 93.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 43% | 0.428 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -50.4 | -177 | -60.8 | -59.3 | 0 | 0 | 0 | 111.5 | Q219 L223 F224 E225 H256 V260 | Q219-D221 PolarHBondContact O-N 3.02Å; D221-L223 PolarHBondContact O-N 3.36Å; D221-F224 PolarHBondContact O-N 2.78Å; D221-E225 WeakPolarHBondContact O-CB 3.24Å; D221-E225 PolarHBondContact O-N 2.85Å; D221-H256 IonicContact OD1-CE1 3.12Å; D221-H256 PolarHBondContact OD1-CE1 3.37Å; D221-H256 IonicContact OD1-NE2 3.92Å; D221-H256 PolarHBondContact OD1-NE2 2.99Å; D221-H256 IonicContact OD2-CD2 3.88Å; D221-H256 IonicContact OD2-CE1 2.64Å; D221-H256 IonicContact OD2-NE2 3.53Å; D221-H256 PolarHBondContact OD2-NE2 3.41Å; D221-V260 WeakPolarHBondContact OD1-CG2 3.47Å |
| 222 | E | 93.8 | Very high | 92 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.8 | -175.4 | 179.5 | 177.4 | 0 | 0 | 111.6 | F224 E225 L226 | E222-F224 VanDerWaalsContact C-N 3.31Å; E222-F224 PolarHBondContact O-N 3.37Å; E222-E225 PolarHBondContact O-N 3.27Å; E222-L226 HydrophobicContact CG-CD1 4.26Å; E222-L226 WeakPolarHBondContact O-CB 3.3Å; E222-L226 VanDerWaalsContact O-CG 3.27Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.1Å |
| 223 | L | 94.9 | Very high | 92 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 178.8 | -176.7 | 55.2 | 0 | 0 | 0 | 112.7 | V173 L178 L181 S212 V215 Q219 I220 D221 L227 | V173-L223 HydrophobicContact CG1-CD2 4.33Å; V173-L223 HydrophobicContact CG2-CD1 4.22Å; L178-L223 HydrophobicContact CD2-CB 3.96Å; L178-L223 HydrophobicContact CD2-CD1 3.9Å; L178-L223 HydrophobicContact CD2-CG 4.46Å; L181-L223 HydrophobicContact CD2-CD1 3.49Å; L181-L223 VanDerWaalsContact CD2-CD1 3.49Å; S212-L223 VanDerWaalsContact CB-CD2 3.47Å; V215-L223 HydrophobicContact CB-CD2 4.04Å; V215-L223 HydrophobicContact CG1-CD2 4.21Å; V215-L223 HydrophobicContact CG2-CD2 3.78Å; Q219-L223 WeakPolarHBondContact O-CB 3.46Å; Q219-L223 PolarHBondContact O-N 3.14Å; I220-L223 PolarHBondContact O-N 3.07Å; D221-L223 PolarHBondContact O-N 3.36Å; L223-L227 HydrophobicContact CD1-CD1 3.93Å; L223-L227 HydrophobicContact CD1-CG 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.07Å; L223-L227 WeakPolarHBondContact O-CB 3.38Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.45Å |
| 224 | F | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.2 | -38.6 | 177.6 | -79.6 | 20.8 | 0 | 0 | 0 | 111.4 | L209 S212 V213 I220 D221 E222 L226 L227 I228 A257 V260 L261 | L209-F224 HydrophobicContact CD1-CD1 4.32Å; L209-F224 HydrophobicContact CD1-CE1 4.31Å; S212-F224 VanDerWaalsContact OG-CE1 3.29Å; S212-F224 WeakPolarHBondContact OG-CE1 3.27Å; V213-F224 HydrophobicContact CG1-CZ 4.29Å; I220-F224 HydrophobicContact CG2-CD1 4.08Å; I220-F224 HydrophobicContact CG2-CD2 4.03Å; I220-F224 HydrophobicContact CG2-CE1 3.82Å; I220-F224 HydrophobicContact CG2-CE2 3.75Å; I220-F224 HydrophobicContact CG2-CG 4.19Å; I220-F224 HydrophobicContact CG2-CZ 3.66Å; I220-F224 VanDerWaalsContact O-CB 3.28Å; I220-F224 WeakPolarHBondContact O-CB 3.41Å; I220-F224 WeakPolarHBondContact O-CD1 3.41Å; I220-F224 WeakPolarHBondContact O-CG 3.48Å; I220-F224 PolarHBondContact O-N 2.96Å; D221-F224 PolarHBondContact O-N 2.78Å; E222-F224 VanDerWaalsContact C-N 3.31Å; E222-F224 PolarHBondContact O-N 3.37Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 2.82Å; F224-L227 PolarHBondContact O-N 2.77Å; F224-I228 HydrophobicContact CB-CD1 3.88Å; F224-I228 HydrophobicContact CD2-CD1 4.16Å; F224-I228 HydrophobicContact CG-CD1 3.98Å; F224-I228 VanDerWaalsContact O-CB 3.24Å; F224-I228 WeakPolarHBondContact O-CB 3.33Å; F224-I228 PolarHBondContact O-N 2.9Å; F224-A257 HydrophobicContact CE2-CB 4.32Å; F224-A257 HydrophobicContact CZ-CB 3.88Å; F224-V260 HydrophobicContact CD2-CB 3.93Å; F224-V260 HydrophobicContact CD2-CG1 3.63Å; F224-V260 HydrophobicContact CE2-CB 4.07Å; F224-V260 HydrophobicContact CE2-CG1 4.28Å; F224-L261 HydrophobicContact CD2-CD2 4.49Å; F224-L261 HydrophobicContact CE2-CD2 3.95Å; F224-L261 HydrophobicContact CE2-CG 3.71Å; F224-L261 HydrophobicContact CZ-CD2 4.35Å; F224-L261 HydrophobicContact CZ-CG 4.16Å |
| 225 | E | 92.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -56.6 | -48.8 | 170.8 | -172.5 | 61.3 | -137.4 | 0 | 0 | 110.8 | D221 E222 N229 I230 | D221-E225 WeakPolarHBondContact O-CB 3.24Å; D221-E225 PolarHBondContact O-N 2.85Å; E222-E225 PolarHBondContact O-N 3.27Å; E225-N229 WeakPolarHBondContact O-CB 3.46Å; E225-N229 PolarHBondContact O-N 3.37Å; E225-N229 VanDerWaalsContact O-N 3.14Å; E225-N229 VanDerWaalsContact OE1-CB 3.22Å; E225-N229 WeakPolarHBondContact OE1-CB 3.5Å; E225-N229 PolarHBondContact OE1-ND2 3.4Å; E225-N229 PolarHBondContact OE2-ND2 3.06Å; E225-I230 PolarHBondContact O-N 2.97Å; E225-I230 VanDerWaalsContact O-N 3.09Å |
| 226 | L | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -60.4 | -55.6 | 175.9 | -71.6 | 174 | 0 | 0 | 0 | 111.9 | L178 L181 N182 L185 E222 F224 I230 G231 | L178-L226 HydrophobicContact CD2-CD1 4.17Å; L181-L226 HydrophobicContact CB-CD1 4.4Å; L181-L226 HydrophobicContact CD2-CB 3.97Å; L181-L226 HydrophobicContact CD2-CD1 4.04Å; L181-L226 HydrophobicContact CG-CB 4.31Å; L181-L226 HydrophobicContact CG-CD1 4.24Å; N182-L226 HydrophobicContact CB-CD1 4.16Å; N182-L226 HydrophobicContact CB-CD2 3.73Å; L185-L226 HydrophobicContact CD1-CB 4.19Å; L185-L226 VanDerWaalsContact CD1-O 3.23Å; L185-L226 WeakPolarHBondContact CD1-O 3.41Å; E222-L226 HydrophobicContact CG-CD1 4.26Å; E222-L226 WeakPolarHBondContact O-CB 3.3Å; E222-L226 VanDerWaalsContact O-CG 3.27Å; E222-L226 WeakPolarHBondContact O-CG 3.39Å; E222-L226 PolarHBondContact O-N 3.1Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 2.82Å; L226-I230 HydrophobicContact CD2-CD1 3.97Å; L226-G231 PolarHBondContact O-N 3.11Å |
| 227 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -69.4 | -45 | -174.4 | -71 | 173.6 | 0 | 0 | 0 | 113.1 | I169 V173 L181 A208 L209 L223 F224 G231 G232 A233 | I169-L227 HydrophobicContact CG2-CD2 3.9Å; V173-L227 HydrophobicContact CG2-CD1 3.99Å; V173-L227 HydrophobicContact CG2-CD2 4.32Å; L181-L227 HydrophobicContact CD1-CD2 4.22Å; L181-L227 HydrophobicContact CD2-CD2 4.04Å; L181-L227 HydrophobicContact CD2-CG 4.17Å; A208-L227 HydrophobicContact CB-CD2 4.29Å; L209-L227 HydrophobicContact CD1-CD1 4.22Å; L223-L227 HydrophobicContact CD1-CD1 3.93Å; L223-L227 HydrophobicContact CD1-CG 4.19Å; L223-L227 HydrophobicContact CG-CD1 4.07Å; L223-L227 WeakPolarHBondContact O-CB 3.38Å; L223-L227 VanDerWaalsContact O-CG 3.28Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.45Å; F224-L227 PolarHBondContact O-N 2.77Å; L227-G231 CarbonylContact O-C 3.47Å; L227-G231 WeakPolarHBondContact O-CA 3.42Å; L227-G231 PolarHBondContact O-N 2.85Å; L227-G232 PolarHBondContact O-N 2.94Å; L227-G232 VanDerWaalsContact O-N 3.13Å; L227-A233 HydrophobicContact CB-CB 4.13Å; L227-A233 WeakPolarHBondContact O-CB 3.34Å; L227-A233 PolarHBondContact O-N 3.11Å |
| 228 | I | 93.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -90.4 | -56.3 | -168.3 | -59.2 | 157.7 | 0 | 0 | 0 | 110.4 | L209 F224 G232 A233 L235 L264 | L209-I228 HydrophobicContact CD1-CD1 3.92Å; L209-I228 HydrophobicContact CD1-CG1 3.99Å; L209-I228 HydrophobicContact CD2-CD1 4.46Å; L209-I228 HydrophobicContact CD2-CG1 4.22Å; F224-I228 HydrophobicContact CB-CD1 3.88Å; F224-I228 HydrophobicContact CD2-CD1 4.16Å; F224-I228 HydrophobicContact CG-CD1 3.98Å; F224-I228 VanDerWaalsContact O-CB 3.24Å; F224-I228 WeakPolarHBondContact O-CB 3.33Å; F224-I228 PolarHBondContact O-N 2.9Å; I228-G232 VanDerWaalsContact O-CA 3.25Å; I228-G232 WeakPolarHBondContact O-CA 3.42Å; I228-G232 PolarHBondContact O-N 3.25Å; I228-A233 HydrophobicContact CG1-CB 4.12Å; I228-L235 HydrophobicContact CD1-CD2 3.6Å; I228-L235 HydrophobicContact CG1-CD2 4.02Å; I228-L235 HydrophobicContact CG2-CD2 4.01Å; I228-L235 HydrophobicContact CG2-CG 4.36Å; I228-L264 HydrophobicContact CD1-CD1 3.59Å; I228-L264 HydrophobicContact CG2-CD1 4.5Å |
| 229 | N | 89.6 | Confident | 93.3 | Very high | 85 Ų | 85 | 36 Ų | 36 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -77.4 | -44 | -172.8 | -67.1 | -14.8 | 0 | 0 | 0 | 112 | E225 | E225-N229 WeakPolarHBondContact O-CB 3.46Å; E225-N229 PolarHBondContact O-N 3.37Å; E225-N229 VanDerWaalsContact O-N 3.14Å; E225-N229 VanDerWaalsContact OE1-CB 3.22Å; E225-N229 WeakPolarHBondContact OE1-CB 3.5Å; E225-N229 PolarHBondContact OE1-ND2 3.4Å; E225-N229 PolarHBondContact OE2-ND2 3.06Å |
| 230 | I | 88.5 | Confident | 93.5 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -85 | -46.8 | 178.2 | -62.3 | 163.1 | 0 | 0 | 0 | 110.8 | L185 K195 E225 L226 | L185-I230 HydrophobicContact CB-CG2 3.92Å; K195-I230 WeakPolarHBondContact CE-O 3.41Å; E225-I230 PolarHBondContact O-N 2.97Å; E225-I230 VanDerWaalsContact O-N 3.09Å; L226-I230 HydrophobicContact CD2-CD1 3.97Å |
| 231 | G | 86.8 | Confident | 93.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L226 L227 | L226-G231 PolarHBondContact O-N 3.11Å; L227-G231 CarbonylContact O-C 3.47Å; L227-G231 WeakPolarHBondContact O-CA 3.42Å; L227-G231 PolarHBondContact O-N 2.85Å |
| 232 | G | 90.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 39 Ų | 39 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | trans | 69.5 | 32 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N199 L227 I228 N234 | N199-G232 PolarHBondContact ND2-O 2.92Å; L227-G232 PolarHBondContact O-N 2.94Å; L227-G232 VanDerWaalsContact O-N 3.13Å; I228-G232 VanDerWaalsContact O-CA 3.25Å; I228-G232 WeakPolarHBondContact O-CA 3.42Å; I228-G232 PolarHBondContact O-N 3.25Å; G232-N234 PolarHBondContact O-N 3.43Å | ||
| 233 | A | 93.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -62.4 | 132.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V198 L209 L227 I228 L235 | V198-A233 HydrophobicContact CG1-CB 3.52Å; L209-A233 HydrophobicContact CB-CB 4.35Å; L209-A233 HydrophobicContact CD2-CB 4.02Å; L227-A233 HydrophobicContact CB-CB 4.13Å; L227-A233 WeakPolarHBondContact O-CB 3.34Å; L227-A233 PolarHBondContact O-N 3.11Å; I228-A233 HydrophobicContact CG1-CB 4.12Å; A233-L235 PolarHBondContact O-N 2.97Å; A233-L235 VanDerWaalsContact O-N 3.15Å | ||
| 234 | N | 94.4 | Very high | 94 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | trans | -73.1 | 104.9 | 175 | 177.6 | 8.2 | 0 | 0 | 0 | 110.5 | N199 G232 N236 A237 | N199-N234 WeakPolarHBondContact OD1-CB 3.45Å; N199-N234 PolarHBondContact OD1-N 3.38Å; G232-N234 PolarHBondContact O-N 3.43Å; N234-N236 PolarHBondContact O-N 3.33Å; N234-N236 PolarHBondContact OD1-N 2.85Å; N234-A237 HydrophobicContact CB-CB 4.21Å; N234-A237 PolarHBondContact ND2-N 2.84Å; N234-A237 PolarHBondContact O-N 3.26Å; N234-A237 VanDerWaalsContact O-N 3.17Å; N234-A237 PolarHBondContact OD1-N 3.05Å | ||
| 235 | L | 95.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -28.9 | 173.9 | -66.1 | 171.9 | 0 | 0 | 0 | 114.5 | L209 I228 A233 P245 L261 L264 A266 | L209-L235 HydrophobicContact CD2-CD2 4.42Å; I228-L235 HydrophobicContact CD1-CD2 3.6Å; I228-L235 HydrophobicContact CG1-CD2 4.02Å; I228-L235 HydrophobicContact CG2-CD2 4.01Å; I228-L235 HydrophobicContact CG2-CG 4.36Å; A233-L235 PolarHBondContact O-N 2.97Å; A233-L235 VanDerWaalsContact O-N 3.15Å; L235-P245 WeakPolarHBondContact O-CD 3.38Å; L235-L261 HydrophobicContact CD2-CD2 3.92Å; L235-L264 HydrophobicContact CD1-CB 4.17Å; L235-L264 WeakPolarHBondContact CD1-O 3.37Å; L235-L264 HydrophobicContact CD2-CB 4.17Å; L235-A266 HydrophobicContact CB-CB 4.45Å |
| 236 | N | 96.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 22 | -171.3 | -60.1 | -53.3 | 0 | 0 | 0 | 112.7 | N234 P238 N267 | N234-N236 PolarHBondContact O-N 3.33Å; N234-N236 PolarHBondContact OD1-N 2.85Å; N236-P238 WeakPolarHBondContact O-CD 3.24Å; N236-N267 WeakPolarHBondContact OD1-CB 3.43Å; N236-N267 PolarHBondContact OD1-N 2.99Å |
| 237 | A | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | trans | -60.2 | 129.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y201 T207 H210 N234 T244 P245 | Y201-A237 HydrophobicContact CE1-CB 4.32Å; T207-A237 HydrophobicContact CG2-CB 3.8Å; H210-A237 PolarHBondContact CE1-O 2.95Å; H210-A237 PolarHBondContact NE2-O 3.29Å; H210-A237 VanDerWaalsContact NE2-O 3.13Å; N234-A237 HydrophobicContact CB-CB 4.21Å; N234-A237 PolarHBondContact ND2-N 2.84Å; N234-A237 PolarHBondContact O-N 3.26Å; N234-A237 VanDerWaalsContact O-N 3.17Å; N234-A237 PolarHBondContact OD1-N 3.05Å; A237-T244 WeakPolarHBondContact O-CA 3.24Å; A237-P245 WeakPolarHBondContact O-CD 3.32Å | ||
| 238 | P | 96.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | trans | -94.8 | 143.5 | 175.6 | 34.4 | -31.7 | 0 | 0 | 0 | 112.4 | N236 R243 | N236-P238 WeakPolarHBondContact O-CD 3.24Å; P238-R243 CarbonylContact C-O 3.6Å; P238-R243 WeakPolarHBondContact CA-O 3.48Å | ||
| 239 | D | 95.8 | Very high | 95 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | trans | -77.5 | -177.9 | 171.5 | 75.9 | 6.8 | 0 | 0 | 0 | 114 | G205 H241 G242 R243 W248 | G205-D239 VanDerWaalsContact O-CA 3.29Å; G205-D239 WeakPolarHBondContact O-CA 2.81Å; D239-H241 PolarHBondContact O-N 3.02Å; D239-H241 VanDerWaalsContact O-N 3.13Å; D239-H241 VanDerWaalsContact OD1-C 3.24Å; D239-H241 VanDerWaalsContact OD1-CA 3.23Å; D239-H241 WeakPolarHBondContact OD1-CA 3.44Å; D239-H241 WeakPolarHBondContact OD1-CB 3.46Å; D239-H241 PolarHBondContact OD1-N 2.83Å; D239-G242 WeakPolarHBondContact O-CA 3.21Å; D239-G242 PolarHBondContact O-N 3.14Å; D239-G242 PolarHBondContact OD1-N 3.17Å; D239-R243 PolarHBondContact N-O 2.91Å; D239-R243 WeakPolarHBondContact OD1-CB 3.44Å; D239-R243 PolarHBondContact OD1-N 3.07Å; D239-W248 PolarHBondContact OD2-NE1 3.02Å | ||
| 240 | T | 95.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 29.9 Ų | 29.9 | 55% | 0.546 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23 | 175.3 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | Q204 | Q204-T240 WeakPolarHBondContact O-CB 3.47Å; Q204-T240 WeakPolarHBondContact O-CG2 3.31Å; Q204-T240 PolarHBondContact O-N 3.3Å; Q204-T240 PolarHBondContact O-OG1 3.47Å |
| 241 | H | 94.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 29.3 Ų | 29.3 | 40% | 0.398 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3.6 | 174.8 | -62.2 | -64.9 | 0 | 0 | 0 | 112.6 | D239 R243 D272 S273 | D239-H241 PolarHBondContact O-N 3.02Å; D239-H241 VanDerWaalsContact O-N 3.13Å; D239-H241 VanDerWaalsContact OD1-C 3.24Å; D239-H241 VanDerWaalsContact OD1-CA 3.23Å; D239-H241 WeakPolarHBondContact OD1-CA 3.44Å; D239-H241 WeakPolarHBondContact OD1-CB 3.46Å; D239-H241 PolarHBondContact OD1-N 2.83Å; H241-R243 VanDerWaalsContact C-N 3.34Å; H241-R243 HydrophobicContact CB-CG 4.25Å; H241-D272 WeakPolarHBondContact O-CB 3.46Å; H241-S273 WeakPolarHBondContact O-CB 3.48Å; H241-S273 PolarHBondContact O-N 2.93Å; H241-S273 PolarHBondContact O-OG 3.38Å |
| 242 | G | 95.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 80.3 | 7.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D239 H270 | D239-G242 WeakPolarHBondContact O-CA 3.21Å; D239-G242 PolarHBondContact O-N 3.14Å; D239-G242 PolarHBondContact OD1-N 3.17Å; G242-H270 PolarHBondContact O-CD2 3.43Å; G242-H270 PolarHBondContact O-NE2 2.82Å |
| 243 | R | 97.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | trans | -83.6 | 138.2 | -176.4 | -57.6 | 174.6 | 171.9 | 157.4 | 1.9 | 110.5 | H210 P238 D239 H241 I247 D272 | H210-R243 PolarHBondContact NE2-O 3.28Å; P238-R243 CarbonylContact C-O 3.6Å; P238-R243 WeakPolarHBondContact CA-O 3.48Å; D239-R243 PolarHBondContact N-O 2.91Å; D239-R243 WeakPolarHBondContact OD1-CB 3.44Å; D239-R243 PolarHBondContact OD1-N 3.07Å; H241-R243 VanDerWaalsContact C-N 3.34Å; H241-R243 HydrophobicContact CB-CG 4.25Å; R243-I247 HydrophobicContact CB-CB 4.15Å; R243-I247 HydrophobicContact CB-CG2 3.94Å; R243-I247 HydrophobicContact CG-CG2 3.95Å; R243-D272 HydrophobicContact CB-CB 4.38Å; R243-D272 HydrophobicContact CG-CB 3.5Å; R243-D272 VanDerWaalsContact CG-CB 3.5Å; R243-D272 IonicContact CZ-OD2 3.87Å; R243-D272 IonicContact NE-OD2 3.8Å; R243-D272 PolarHBondContact NE-OD2 2.95Å; R243-D272 IonicContact NH2-OD2 3.77Å | ||
| 244 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -93.6 | 167.6 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | A237 I246 I247 W248 H270 | A237-T244 WeakPolarHBondContact O-CA 3.24Å; T244-I246 PolarHBondContact O-N 2.93Å; T244-I246 VanDerWaalsContact O-N 3.16Å; T244-I246 WeakPolarHBondContact OG1-CG2 3.43Å; T244-I247 WeakPolarHBondContact O-CA 3.35Å; T244-I247 WeakPolarHBondContact O-CB 3.28Å; T244-I247 PolarHBondContact O-N 3.1Å; T244-W248 PolarHBondContact O-N 3.34Å; T244-H270 HydrophobicContact CG2-CB 4.31Å; T244-H270 VanDerWaalsContact CG2-CD2 3.43Å; T244-H270 WeakPolarHBondContact CG2-CD2 3.49Å | ||
| 245 | P | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -51.4 | -37 | 175.3 | -31.3 | 37.2 | 0 | 0 | 0 | 114.1 | L209 L235 A237 W248 A249 L261 | L209-P245 HydrophobicContact CB-CG 4.26Å; L209-P245 HydrophobicContact CD2-CB 4.43Å; L209-P245 HydrophobicContact CD2-CG 3.97Å; L209-P245 HydrophobicContact CG-CB 4.09Å; L209-P245 HydrophobicContact CG-CG 3.85Å; L235-P245 WeakPolarHBondContact O-CD 3.38Å; A237-P245 WeakPolarHBondContact O-CD 3.32Å; P245-W248 WeakPolarHBondContact O-CB 3.35Å; P245-W248 PolarHBondContact O-N 3.29Å; P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 2.78Å; P245-L261 HydrophobicContact CB-CD1 4.06Å |
| 246 | I | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 176.9 | -170 | 168.2 | 0 | 0 | 0 | 112.7 | T244 A249 A250 L261 L262 A266 L268 A278 | T244-I246 PolarHBondContact O-N 2.93Å; T244-I246 VanDerWaalsContact O-N 3.16Å; T244-I246 WeakPolarHBondContact OG1-CG2 3.43Å; I246-A249 PolarHBondContact O-N 3.42Å; I246-A250 VanDerWaalsContact O-CB 3.23Å; I246-A250 WeakPolarHBondContact O-CB 3.42Å; I246-A250 PolarHBondContact O-N 2.86Å; I246-L261 HydrophobicContact CB-CD1 4.03Å; I246-L262 HydrophobicContact CD1-CD1 4.44Å; I246-L262 HydrophobicContact CD1-CD2 3.48Å; I246-L262 VanDerWaalsContact CD1-CD2 3.48Å; I246-L262 HydrophobicContact CD1-CG 3.69Å; I246-A266 HydrophobicContact CB-CB 4.46Å; I246-A266 HydrophobicContact CD1-CB 4.39Å; I246-L268 HydrophobicContact CD1-CD1 3.97Å; I246-A278 HydrophobicContact CG1-CB 4.41Å |
| 247 | I | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 173.3 | -64.3 | 172.9 | 0 | 0 | 0 | 110.2 | R243 T244 T251 D272 A278 C281 | R243-I247 HydrophobicContact CB-CB 4.15Å; R243-I247 HydrophobicContact CB-CG2 3.94Å; R243-I247 HydrophobicContact CG-CG2 3.95Å; T244-I247 WeakPolarHBondContact O-CA 3.35Å; T244-I247 WeakPolarHBondContact O-CB 3.28Å; T244-I247 PolarHBondContact O-N 3.1Å; I247-T251 WeakPolarHBondContact O-CB 3.29Å; I247-T251 PolarHBondContact O-N 3.12Å; I247-T251 PolarHBondContact O-OG1 3.01Å; I247-D272 HydrophobicContact CD1-CB 4.44Å; I247-A278 HydrophobicContact CG1-CB 4.19Å; I247-C281 HydrophobicContact CG2-CB 4.46Å |
| 248 | W | 97.8 | Very high | 97 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 16% | 0.163 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 172.2 | -83 | 52.4 | 0 | 0 | 0 | 111.4 | A206 H210 Y211 V213 D239 T244 P245 A250 T251 V252 | A206-W248 HydrophobicContact CB-CH2 4.04Å; A206-W248 HydrophobicContact CB-CZ2 4.15Å; H210-W248 HydrophobicContact CB-CD2 3.97Å; H210-W248 HydrophobicContact CB-CE3 3.95Å; H210-W248 HydrophobicContact CB-CH2 4.24Å; H210-W248 HydrophobicContact CB-CZ2 4.27Å; H210-W248 HydrophobicContact CB-CZ3 4.08Å; H210-W248 AromaticContact CD2-CD1 3.75Å; H210-W248 AromaticContact CD2-CE2 3.85Å; H210-W248 AromaticContact CD2-NE1 3.63Å; Y211-W248 HydrophobicContact CD1-CZ3 4.34Å; Y211-W248 HydrophobicContact CE1-CZ3 4.44Å; V213-W248 HydrophobicContact CG2-CB 3.86Å; D239-W248 PolarHBondContact OD2-NE1 3.02Å; T244-W248 PolarHBondContact O-N 3.34Å; P245-W248 WeakPolarHBondContact O-CB 3.35Å; P245-W248 PolarHBondContact O-N 3.29Å; W248-A250 VanDerWaalsContact C-N 3.33Å; W248-A250 PolarHBondContact O-N 3.23Å; W248-T251 WeakPolarHBondContact O-CB 3.43Å; W248-T251 PolarHBondContact O-N 2.87Å; W248-T251 VanDerWaalsContact O-N 3.11Å; W248-V252 WeakPolarHBondContact O-CG2 3.49Å; W248-V252 PolarHBondContact O-N 2.94Å |
| 249 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V213 P245 I246 T251 V252 G253 S254 A257 V258 L261 | V213-A249 HydrophobicContact CB-CB 3.87Å; V213-A249 HydrophobicContact CG1-CB 3.98Å; V213-A249 HydrophobicContact CG2-CB 4.2Å; P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 2.78Å; I246-A249 PolarHBondContact O-N 3.42Å; A249-T251 PolarHBondContact O-N 3.25Å; A249-V252 PolarHBondContact O-N 3.41Å; A249-G253 PolarHBondContact O-N 3.03Å; A249-S254 PolarHBondContact O-N 2.87Å; A249-A257 HydrophobicContact CB-CB 3.86Å; A249-V258 HydrophobicContact CB-CG2 3.54Å; A249-L261 HydrophobicContact CB-CD1 4.36Å |
| 250 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I246 W248 V258 A278 A282 N287 I294 | I246-A250 VanDerWaalsContact O-CB 3.23Å; I246-A250 WeakPolarHBondContact O-CB 3.42Å; I246-A250 PolarHBondContact O-N 2.86Å; W248-A250 VanDerWaalsContact C-N 3.33Å; W248-A250 PolarHBondContact O-N 3.23Å; A250-V258 HydrophobicContact CB-CG2 4.45Å; A250-A278 HydrophobicContact CB-CB 3.82Å; A250-A278 WeakPolarHBondContact CB-O 3.42Å; A250-A282 HydrophobicContact CB-CB 4.2Å; A250-A282 WeakPolarHBondContact O-CA 3.44Å; A250-N287 PolarHBondContact O-ND2 3.47Å; A250-I294 HydrophobicContact CB-CD1 4.25Å |
| 251 | T | 97.2 | Very high | 97.1 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 23% | 0.233 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.1 | -44.4 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | I247 W248 A249 G253 C281 R285 N287 | I247-T251 WeakPolarHBondContact O-CB 3.29Å; I247-T251 PolarHBondContact O-N 3.12Å; I247-T251 PolarHBondContact O-OG1 3.01Å; W248-T251 WeakPolarHBondContact O-CB 3.43Å; W248-T251 PolarHBondContact O-N 2.87Å; W248-T251 VanDerWaalsContact O-N 3.11Å; A249-T251 PolarHBondContact O-N 3.25Å; T251-G253 VanDerWaalsContact C-N 3.33Å; T251-C281 WeakPolarHBondContact OG1-CB 3.46Å; T251-R285 HydrophobicContact CG2-CG 4.11Å; T251-R285 WeakPolarHBondContact O-CG 3.47Å; T251-R285 PolarHBondContact O-NE 2.85Å; T251-N287 PolarHBondContact O-ND2 2.98Å; T251-N287 VanDerWaalsContact O-ND2 3.09Å |
| 252 | V | 96.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 21.4 Ų | 21.4 | 36% | 0.364 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -68.3 | -34.2 | 179.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | Q214 W248 A249 | Q214-V252 HydrophobicContact CG-CG2 4.09Å; W248-V252 WeakPolarHBondContact O-CG2 3.49Å; W248-V252 PolarHBondContact O-N 2.94Å; A249-V252 PolarHBondContact O-N 3.41Å |
| 253 | G | 96.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 18.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A249 T251 T255 N287 T290 | A249-G253 PolarHBondContact O-N 3.03Å; T251-G253 VanDerWaalsContact C-N 3.33Å; G253-T255 PolarHBondContact O-N 2.89Å; G253-T255 PolarHBondContact O-OG1 3.44Å; G253-N287 VanDerWaalsContact CA-CG 3.46Å; G253-N287 VanDerWaalsContact CA-ND2 3.26Å; G253-N287 WeakPolarHBondContact CA-ND2 3.35Å; G253-N287 PolarHBondContact N-ND2 2.89Å; G253-N287 VanDerWaalsContact N-ND2 3.18Å; G253-T290 PolarHBondContact O-OG1 2.85Å |
| 254 | S | 96.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | trans | -76.1 | 78.6 | 177.7 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | V213 A249 H256 A257 V258 | V213-S254 VanDerWaalsContact O-CB 3.25Å; V213-S254 WeakPolarHBondContact O-CB 3.25Å; V213-S254 PolarHBondContact O-OG 3.36Å; A249-S254 PolarHBondContact O-N 2.87Å; S254-H256 VanDerWaalsContact C-N 3.26Å; S254-H256 PolarHBondContact O-N 2.95Å; S254-A257 PolarHBondContact O-N 2.99Å; S254-A257 WeakPolarHBondContact OG-CB 3.32Å; S254-V258 PolarHBondContact O-N 3.46Å | ||
| 255 | T | 97.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 15% | 0.153 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -42.8 | -176.5 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | G253 V258 E259 Q289 T290 T293 | G253-T255 PolarHBondContact O-N 2.89Å; G253-T255 PolarHBondContact O-OG1 3.44Å; T255-V258 PolarHBondContact O-N 3.45Å; T255-E259 PolarHBondContact O-N 2.83Å; T255-Q289 HydrophobicContact CG2-CG 3.7Å; T255-T290 PolarHBondContact OG1-OG1 3Å; T255-T293 HydrophobicContact CG2-CG2 3.48Å; T255-T293 VanDerWaalsContact CG2-CG2 3.48Å |
| 256 | H | 96.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 26% | 0.259 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63 | -46 | 178.4 | -168.3 | 44.9 | 0 | 0 | 0 | 112 | A217 D221 S254 V258 E259 V260 | A217-H256 PolarHBondContact O-CD2 3.23Å; D221-H256 IonicContact OD1-CE1 3.12Å; D221-H256 PolarHBondContact OD1-CE1 3.37Å; D221-H256 IonicContact OD1-NE2 3.92Å; D221-H256 PolarHBondContact OD1-NE2 2.99Å; D221-H256 IonicContact OD2-CD2 3.88Å; D221-H256 IonicContact OD2-CE1 2.64Å; D221-H256 IonicContact OD2-NE2 3.53Å; D221-H256 PolarHBondContact OD2-NE2 3.41Å; S254-H256 VanDerWaalsContact C-N 3.26Å; S254-H256 PolarHBondContact O-N 2.95Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 PolarHBondContact O-N 3.01Å; H256-E259 PolarHBondContact O-N 3.26Å; H256-E259 VanDerWaalsContact O-N 3.16Å; H256-V260 WeakPolarHBondContact O-CG2 3.33Å; H256-V260 PolarHBondContact O-N 3.34Å |
| 257 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V213 I220 F224 A249 S254 L261 | V213-A257 HydrophobicContact CB-CB 4.03Å; V213-A257 HydrophobicContact CG1-CB 4.2Å; I220-A257 HydrophobicContact CD1-CB 4.14Å; I220-A257 HydrophobicContact CG2-CB 4.39Å; F224-A257 HydrophobicContact CE2-CB 4.32Å; F224-A257 HydrophobicContact CZ-CB 3.88Å; A249-A257 HydrophobicContact CB-CB 3.86Å; S254-A257 PolarHBondContact O-N 2.99Å; S254-A257 WeakPolarHBondContact OG-CB 3.32Å; A257-L261 VanDerWaalsContact O-CB 3.25Å; A257-L261 WeakPolarHBondContact O-CB 3.21Å; A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 3.44Å |
| 258 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | A249 A250 S254 T255 H256 L262 T290 I294 | A249-V258 HydrophobicContact CB-CG2 3.54Å; A250-V258 HydrophobicContact CB-CG2 4.45Å; S254-V258 PolarHBondContact O-N 3.46Å; T255-V258 PolarHBondContact O-N 3.45Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 PolarHBondContact O-N 3.01Å; V258-L262 HydrophobicContact CG1-CD1 3.67Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 VanDerWaalsContact O-CB 3.3Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 WeakPolarHBondContact O-CD1 3.23Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 2.82Å; V258-T290 HydrophobicContact CB-CG2 4.21Å; V258-T290 HydrophobicContact CG1-CG2 4.4Å; V258-T290 HydrophobicContact CG2-CG2 3.69Å; V258-I294 HydrophobicContact CG1-CD1 4.29Å; V258-I294 HydrophobicContact CG1-CG1 3.77Å |
| 259 | E | 96.2 | Very high | 96.3 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.4 | -74.8 | -173.8 | -147.4 | 0 | 0 | 113.1 | T255 H256 L262 K263 T293 | T255-E259 PolarHBondContact O-N 2.83Å; H256-E259 PolarHBondContact O-N 3.26Å; H256-E259 VanDerWaalsContact O-N 3.16Å; E259-L262 PolarHBondContact O-N 3.43Å; E259-K263 WeakPolarHBondContact O-CD 3.19Å; E259-K263 VanDerWaalsContact O-CG 3.26Å; E259-K263 WeakPolarHBondContact O-CG 3.39Å; E259-K263 PolarHBondContact O-N 3.33Å; E259-K263 IonicContact OE2-NZ 2.68Å; E259-K263 PolarHBondContact OE2-NZ 2.8Å; E259-T293 HydrophobicContact CG-CG2 4.22Å; E259-T293 WeakPolarHBondContact OE1-CG2 3.47Å |
| 260 | V | 95.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.6 | -43.6 | -179 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | D221 F224 H256 L262 K263 L264 | D221-V260 WeakPolarHBondContact OD1-CG2 3.47Å; F224-V260 HydrophobicContact CD2-CB 3.93Å; F224-V260 HydrophobicContact CD2-CG1 3.63Å; F224-V260 HydrophobicContact CE2-CB 4.07Å; F224-V260 HydrophobicContact CE2-CG1 4.28Å; H256-V260 WeakPolarHBondContact O-CG2 3.33Å; H256-V260 PolarHBondContact O-N 3.34Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 3.47Å; V260-K263 PolarHBondContact O-N 2.82Å; V260-L264 HydrophobicContact CG1-CD1 3.99Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.9Å |
| 261 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 174.4 | -74.9 | 172.9 | 0 | 0 | 0 | 111.8 | V213 F224 L235 P245 I246 A249 A257 L264 G265 A266 | V213-L261 HydrophobicContact CG1-CD1 4.36Å; F224-L261 HydrophobicContact CD2-CD2 4.49Å; F224-L261 HydrophobicContact CE2-CD2 3.95Å; F224-L261 HydrophobicContact CE2-CG 3.71Å; F224-L261 HydrophobicContact CZ-CD2 4.35Å; F224-L261 HydrophobicContact CZ-CG 4.16Å; L235-L261 HydrophobicContact CD2-CD2 3.92Å; P245-L261 HydrophobicContact CB-CD1 4.06Å; I246-L261 HydrophobicContact CB-CD1 4.03Å; A249-L261 HydrophobicContact CB-CD1 4.36Å; A257-L261 VanDerWaalsContact O-CB 3.25Å; A257-L261 WeakPolarHBondContact O-CB 3.21Å; A257-L261 WeakPolarHBondContact O-CG 3.41Å; A257-L261 PolarHBondContact O-N 3.44Å; L261-L264 CarbonylContact O-C 3.47Å; L261-L264 PolarHBondContact O-N 3.27Å; L261-G265 PolarHBondContact O-N 3.2Å; L261-A266 HydrophobicContact CB-CB 3.82Å; L261-A266 WeakPolarHBondContact O-CB 3.28Å; L261-A266 PolarHBondContact O-N 3.1Å |
| 262 | L | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.9 | -74.6 | 171.4 | 0 | 0 | 0 | 112.6 | I246 V258 E259 V260 L264 G265 L268 W297 | I246-L262 HydrophobicContact CD1-CD1 4.44Å; I246-L262 HydrophobicContact CD1-CD2 3.48Å; I246-L262 VanDerWaalsContact CD1-CD2 3.48Å; I246-L262 HydrophobicContact CD1-CG 3.69Å; V258-L262 HydrophobicContact CG1-CD1 3.67Å; V258-L262 HydrophobicContact CG1-CG 4.32Å; V258-L262 VanDerWaalsContact O-CB 3.3Å; V258-L262 WeakPolarHBondContact O-CB 3.31Å; V258-L262 WeakPolarHBondContact O-CD1 3.23Å; V258-L262 WeakPolarHBondContact O-CG 3.46Å; V258-L262 PolarHBondContact O-N 2.82Å; E259-L262 PolarHBondContact O-N 3.43Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 3.47Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 3.11Å; L262-G265 PolarHBondContact O-N 3.37Å; L262-G265 VanDerWaalsContact O-N 3.14Å; L262-L268 HydrophobicContact CD2-CB 3.91Å; L262-L268 HydrophobicContact CD2-CD1 4.29Å; L262-L268 HydrophobicContact CD2-CD2 4.26Å; L262-L268 HydrophobicContact CD2-CG 4.38Å; L262-W297 HydrophobicContact CB-CD2 4.36Å; L262-W297 HydrophobicContact CB-CG 4.28Å; L262-W297 HydrophobicContact CD1-CB 3.95Å; L262-W297 HydrophobicContact CD1-CD2 4.12Å; L262-W297 HydrophobicContact CD1-CG 3.77Å; L262-W297 HydrophobicContact CD2-CD2 3.88Å; L262-W297 HydrophobicContact CD2-CE3 4.02Å; L262-W297 HydrophobicContact CD2-CG 4.4Å; L262-W297 HydrophobicContact CD2-CH2 4.27Å; L262-W297 HydrophobicContact CD2-CZ2 4.15Å; L262-W297 HydrophobicContact CD2-CZ3 4.21Å; L262-W297 HydrophobicContact CG-CD2 4.35Å; L262-W297 HydrophobicContact CG-CG 4.38Å |
| 263 | K | 95.1 | Very high | 96.2 | Very high | 148 Ų | 148 | 40.1 Ų | 40.1 | 64% | 0.643 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.1 | -34 | 173.5 | -73.6 | 162.7 | -174.9 | 159.4 | 0 | 112.1 | E259 V260 G265 | E259-K263 WeakPolarHBondContact O-CD 3.19Å; E259-K263 VanDerWaalsContact O-CG 3.26Å; E259-K263 WeakPolarHBondContact O-CG 3.39Å; E259-K263 PolarHBondContact O-N 3.33Å; E259-K263 IonicContact OE2-NZ 2.68Å; E259-K263 PolarHBondContact OE2-NZ 2.8Å; V260-K263 PolarHBondContact O-N 2.82Å; K263-G265 VanDerWaalsContact C-N 3.3Å |
| 264 | L | 94 | Very high | 96.2 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.5 | 176.5 | -64.7 | 173.7 | 0 | 0 | 0 | 113.9 | I228 L235 V260 L261 L262 | I228-L264 HydrophobicContact CD1-CD1 3.59Å; I228-L264 HydrophobicContact CG2-CD1 4.5Å; L235-L264 HydrophobicContact CD1-CB 4.17Å; L235-L264 WeakPolarHBondContact CD1-O 3.37Å; L235-L264 HydrophobicContact CD2-CB 4.17Å; V260-L264 HydrophobicContact CG1-CD1 3.99Å; V260-L264 HydrophobicContact CG1-CG 4.41Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.9Å; L261-L264 CarbonylContact O-C 3.47Å; L261-L264 PolarHBondContact O-N 3.27Å; L262-L264 VanDerWaalsContact C-N 3.26Å; L262-L264 PolarHBondContact O-N 3.11Å |
| 265 | G | 93.6 | Very high | 96.2 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 53% | 0.526 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 24.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L261 L262 K263 | L261-G265 PolarHBondContact O-N 3.2Å; L262-G265 PolarHBondContact O-N 3.37Å; L262-G265 VanDerWaalsContact O-N 3.14Å; K263-G265 VanDerWaalsContact C-N 3.3Å |
| 266 | A | 96.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | trans | -60.5 | 140.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | L235 I246 L261 L268 | L235-A266 HydrophobicContact CB-CB 4.45Å; I246-A266 HydrophobicContact CB-CB 4.46Å; I246-A266 HydrophobicContact CD1-CB 4.39Å; L261-A266 HydrophobicContact CB-CB 3.82Å; L261-A266 WeakPolarHBondContact O-CB 3.28Å; L261-A266 PolarHBondContact O-N 3.1Å; A266-L268 PolarHBondContact O-N 3.32Å | ||
| 267 | N | 95.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | trans | -78.3 | 93.7 | -174.4 | -177.2 | 12.1 | 0 | 0 | 0 | 111.3 | N236 N269 H270 | N236-N267 WeakPolarHBondContact OD1-CB 3.43Å; N236-N267 PolarHBondContact OD1-N 2.99Å; N267-N269 PolarHBondContact O-N 2.88Å; N267-N269 WeakPolarHBondContact OD1-CB 3.24Å; N267-N269 PolarHBondContact OD1-N 2.95Å; N267-N269 VanDerWaalsContact OD1-N 3.07Å; N267-H270 HydrophobicContact CB-CB 4.38Å; N267-H270 WeakPolarHBondContact O-CB 3.34Å; N267-H270 PolarHBondContact O-N 3.41Å | ||
| 268 | L | 96.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -28.2 | 174.3 | -175.6 | 61.9 | 0 | 0 | 0 | 113.5 | I246 L262 A266 H270 A278 I294 W297 I298 | I246-L268 HydrophobicContact CD1-CD1 3.97Å; L262-L268 HydrophobicContact CD2-CB 3.91Å; L262-L268 HydrophobicContact CD2-CD1 4.29Å; L262-L268 HydrophobicContact CD2-CD2 4.26Å; L262-L268 HydrophobicContact CD2-CG 4.38Å; A266-L268 PolarHBondContact O-N 3.32Å; L268-H270 VanDerWaalsContact C-N 3.26Å; L268-H270 PolarHBondContact O-N 3.22Å; L268-A278 HydrophobicContact CD1-CB 3.93Å; L268-I294 HydrophobicContact CD1-CG1 4.38Å; L268-I294 HydrophobicContact CD1-CG2 3.95Å; L268-I294 HydrophobicContact CD2-CG2 4.09Å; L268-W297 HydrophobicContact CB-CZ3 4.29Å; L268-W297 HydrophobicContact CD2-CE3 3.59Å; L268-W297 HydrophobicContact CD2-CZ3 3.73Å; L268-I298 HydrophobicContact CD2-CD1 4.01Å; L268-I298 HydrophobicContact CD2-CG1 3.56Å |
| 269 | N | 94.2 | Very high | 96.3 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.5 | -175.3 | -51.6 | -1.1 | 0 | 0 | 0 | 112.4 | N267 L312 | N267-N269 PolarHBondContact O-N 2.88Å; N267-N269 WeakPolarHBondContact OD1-CB 3.24Å; N267-N269 PolarHBondContact OD1-N 2.95Å; N267-N269 VanDerWaalsContact OD1-N 3.07Å; N269-L312 HydrophobicContact CB-CD2 4.33Å; N269-L312 VanDerWaalsContact CG-CD2 3.44Å; N269-L312 WeakPolarHBondContact OD1-CD2 3.43Å |
| 270 | H | 97 | Very high | 96.4 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -62.5 | 141.7 | 177.3 | -171.5 | 83.3 | 0 | 0 | 0 | 110.6 | G242 T244 N267 L268 A277 | G242-H270 PolarHBondContact O-CD2 3.43Å; G242-H270 PolarHBondContact O-NE2 2.82Å; T244-H270 HydrophobicContact CG2-CB 4.31Å; T244-H270 VanDerWaalsContact CG2-CD2 3.43Å; T244-H270 WeakPolarHBondContact CG2-CD2 3.49Å; N267-H270 HydrophobicContact CB-CB 4.38Å; N267-H270 WeakPolarHBondContact O-CB 3.34Å; N267-H270 PolarHBondContact O-N 3.41Å; L268-H270 VanDerWaalsContact C-N 3.26Å; L268-H270 PolarHBondContact O-N 3.22Å; H270-A277 WeakPolarHBondContact O-CA 3.41Å | ||
| 271 | K | 97.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 37.1 Ų | 37.1 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | trans | -122 | 138.4 | -179 | -66.6 | -177.5 | -177.9 | -169.4 | 0 | 109.7 | G275 A277 N316 | K271-G275 WeakPolarHBondContact CD-O 3.35Å; K271-G275 WeakPolarHBondContact CG-O 3.4Å; K271-A277 HydrophobicContact CG-CB 4.29Å; K271-N316 WeakPolarHBondContact CE-O 3.46Å; K271-N316 PolarHBondContact NZ-O 3.41Å | ||
| 272 | D | 96.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -72.5 | -180 | 173.7 | 88 | -7.7 | 0 | 0 | 0 | 112.3 | H241 R243 I247 H274 G275 L276 | H241-D272 WeakPolarHBondContact O-CB 3.46Å; R243-D272 HydrophobicContact CB-CB 4.38Å; R243-D272 HydrophobicContact CG-CB 3.5Å; R243-D272 VanDerWaalsContact CG-CB 3.5Å; R243-D272 IonicContact CZ-OD2 3.87Å; R243-D272 IonicContact NE-OD2 3.8Å; R243-D272 PolarHBondContact NE-OD2 2.95Å; R243-D272 IonicContact NH2-OD2 3.77Å; I247-D272 HydrophobicContact CD1-CB 4.44Å; D272-H274 PolarHBondContact O-N 3.03Å; D272-H274 WeakPolarHBondContact OD1-CA 3.44Å; D272-H274 WeakPolarHBondContact OD1-CB 3.19Å; D272-H274 PolarHBondContact OD1-N 3.48Å; D272-G275 WeakPolarHBondContact O-CA 3.47Å; D272-G275 PolarHBondContact O-N 3.21Å; D272-G275 PolarHBondContact OD1-N 2.87Å; D272-L276 PolarHBondContact N-O 3.43Å; D272-L276 WeakPolarHBondContact OD1-CB 3.47Å; D272-L276 PolarHBondContact OD1-N 2.96Å | ||
| 273 | S | 96.7 | Very high | 96.6 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.5 | 180 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | H241 N318 | H241-S273 WeakPolarHBondContact O-CB 3.48Å; H241-S273 PolarHBondContact O-N 2.93Å; H241-S273 PolarHBondContact O-OG 3.38Å; S273-N318 PolarHBondContact O-ND2 3.18Å |
| 274 | H | 95.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 31.7 Ų | 31.7 | 48% | 0.481 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 3.4 | 173.6 | -57.5 | -69.6 | 0 | 0 | 0 | 112.9 | D272 L276 N318 | D272-H274 PolarHBondContact O-N 3.03Å; D272-H274 WeakPolarHBondContact OD1-CA 3.44Å; D272-H274 WeakPolarHBondContact OD1-CB 3.19Å; D272-H274 PolarHBondContact OD1-N 3.48Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 HydrophobicContact CB-CD1 4.19Å; H274-L276 HydrophobicContact CB-CG 4.03Å; H274-N318 WeakPolarHBondContact CA-ND2 3.47Å; H274-N318 VanDerWaalsContact O-CB 3.3Å; H274-N318 WeakPolarHBondContact O-CB 3.45Å; H274-N318 VanDerWaalsContact O-CG 3.24Å; H274-N318 PolarHBondContact O-N 3.05Å; H274-N318 VanDerWaalsContact O-N 3.11Å; H274-N318 PolarHBondContact O-ND2 3.27Å |
| 275 | G | 96.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | 85.3 | 4.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K271 D272 A277 N318 | K271-G275 WeakPolarHBondContact CD-O 3.35Å; K271-G275 WeakPolarHBondContact CG-O 3.4Å; D272-G275 WeakPolarHBondContact O-CA 3.47Å; D272-G275 PolarHBondContact O-N 3.21Å; D272-G275 PolarHBondContact OD1-N 2.87Å; G275-A277 PolarHBondContact O-N 3.3Å; G275-N318 VanDerWaalsContact CA-OD1 3.3Å; G275-N318 WeakPolarHBondContact CA-OD1 3.47Å; G275-N318 PolarHBondContact N-ND2 3.26Å; G275-N318 PolarHBondContact N-OD1 2.94Å | ||
| 276 | L | 97.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | trans | -79 | 110 | -172.5 | -55.1 | 174 | 0 | 0 | 0 | 110.7 | D272 H274 H280 D317 Y326 | D272-L276 PolarHBondContact N-O 3.43Å; D272-L276 WeakPolarHBondContact OD1-CB 3.47Å; D272-L276 PolarHBondContact OD1-N 2.96Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 HydrophobicContact CB-CD1 4.19Å; H274-L276 HydrophobicContact CB-CG 4.03Å; L276-H280 HydrophobicContact CB-CB 4.29Å; L276-H280 HydrophobicContact CD2-CB 3.94Å; L276-D317 HydrophobicContact CD2-CB 3.91Å; L276-Y326 HydrophobicContact CD2-CE1 4.28Å; L276-Y326 HydrophobicContact CD2-CE2 4.06Å; L276-Y326 WeakPolarHBondContact CD2-OH 3.49Å | ||
| 277 | A | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | trans | -73.9 | 162.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H270 K271 G275 L279 H280 C281 V315 | H270-A277 WeakPolarHBondContact O-CA 3.41Å; K271-A277 HydrophobicContact CG-CB 4.29Å; G275-A277 PolarHBondContact O-N 3.3Å; A277-L279 PolarHBondContact O-N 3.15Å; A277-L279 VanDerWaalsContact O-N 3.1Å; A277-H280 PolarHBondContact N-ND1 3.47Å; A277-H280 WeakPolarHBondContact O-CB 3.13Å; A277-H280 PolarHBondContact O-N 3.04Å; A277-C281 PolarHBondContact O-N 3.45Å; A277-V315 HydrophobicContact CB-CG1 4.01Å; A277-V315 HydrophobicContact CB-CG2 4Å | ||
| 278 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.1 | -37.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | I246 I247 A250 L268 H280 C281 A282 I294 | I246-A278 HydrophobicContact CG1-CB 4.41Å; I247-A278 HydrophobicContact CG1-CB 4.19Å; A250-A278 HydrophobicContact CB-CB 3.82Å; A250-A278 WeakPolarHBondContact CB-O 3.42Å; L268-A278 HydrophobicContact CD1-CB 3.93Å; A278-H280 VanDerWaalsContact C-N 3.35Å; A278-H280 PolarHBondContact O-N 3.22Å; A278-C281 PolarHBondContact O-N 3.18Å; A278-A282 PolarHBondContact O-N 2.97Å; A278-I294 HydrophobicContact CB-CD1 4.35Å |
| 279 | L | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -35 | 178.8 | -171.6 | 54.7 | 0 | 0 | 0 | 112.9 | A277 A283 V291 I294 L295 I298 R313 P323 L339 | A277-L279 PolarHBondContact O-N 3.15Å; A277-L279 VanDerWaalsContact O-N 3.1Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.05Å; L279-V291 HydrophobicContact CD1-CG1 4.07Å; L279-V291 HydrophobicContact CD1-CG2 4.4Å; L279-I294 HydrophobicContact CB-CG2 4.17Å; L279-I294 HydrophobicContact CD1-CB 4.31Å; L279-I294 HydrophobicContact CD1-CG2 3.9Å; L279-I294 HydrophobicContact CD2-CG2 4.46Å; L279-I294 HydrophobicContact CG-CG2 4.39Å; L279-L295 HydrophobicContact CD1-CG 4.44Å; L279-L295 HydrophobicContact CD2-CD2 4.04Å; L279-I298 HydrophobicContact CD2-CD1 4.28Å; L279-R313 WeakPolarHBondContact CD2-O 3.41Å; L279-P323 HydrophobicContact CB-CG 4.06Å; L279-P323 HydrophobicContact CD2-CB 4.37Å; L279-P323 HydrophobicContact CD2-CG 3.95Å; L279-P323 HydrophobicContact CG-CB 3.85Å; L279-P323 HydrophobicContact CG-CG 3.72Å; L279-L339 HydrophobicContact CD1-CD2 4.46Å |
| 280 | H | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 172.3 | -66 | 99.6 | 0 | 0 | 0 | 111.3 | L276 A277 A278 A283 S284 V315 C321 Y326 | L276-H280 HydrophobicContact CB-CB 4.29Å; L276-H280 HydrophobicContact CD2-CB 3.94Å; A277-H280 PolarHBondContact N-ND1 3.47Å; A277-H280 WeakPolarHBondContact O-CB 3.13Å; A277-H280 PolarHBondContact O-N 3.04Å; A278-H280 VanDerWaalsContact C-N 3.35Å; A278-H280 PolarHBondContact O-N 3.22Å; H280-A283 PolarHBondContact O-N 3.18Å; H280-S284 WeakPolarHBondContact O-CB 3.18Å; H280-S284 PolarHBondContact O-N 2.92Å; H280-V315 PolarHBondContact CE1-O 3Å; H280-V315 PolarHBondContact NE2-O 3.28Å; H280-C321 PolarHBondContact NE2-O 3.25Å; H280-Y326 AromaticContact CD2-CD2 3.62Å; H280-Y326 AromaticContact CD2-CE2 3.72Å |
| 281 | C | 97.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | -177.7 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | I247 T251 A277 A278 R285 | I247-C281 HydrophobicContact CG2-CB 4.46Å; T251-C281 WeakPolarHBondContact OG1-CB 3.46Å; A277-C281 PolarHBondContact O-N 3.45Å; A278-C281 PolarHBondContact O-N 3.18Å; C281-R285 VanDerWaalsContact O-CB 3.28Å; C281-R285 WeakPolarHBondContact O-CB 3.35Å; C281-R285 WeakPolarHBondContact O-CG 3.45Å; C281-R285 PolarHBondContact O-N 3.21Å; C281-R285 VanDerWaalsContact O-N 3.16Å |
| 282 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A250 A278 R285 G286 N287 T290 V291 I294 | A250-A282 HydrophobicContact CB-CB 4.2Å; A250-A282 WeakPolarHBondContact O-CA 3.44Å; A278-A282 PolarHBondContact O-N 2.97Å; A282-R285 PolarHBondContact O-N 2.69Å; A282-G286 PolarHBondContact O-N 3.07Å; A282-N287 HydrophobicContact CB-CB 4.39Å; A282-N287 PolarHBondContact O-N 2.95Å; A282-T290 HydrophobicContact CB-CG2 4.37Å; A282-V291 HydrophobicContact CB-CG2 3.66Å; A282-I294 HydrophobicContact CB-CD1 4.26Å |
| 283 | A | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L279 H280 R285 G286 V291 P323 H332 V335 L339 | L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 3.05Å; H280-A283 PolarHBondContact O-N 3.18Å; A283-R285 PolarHBondContact O-N 3.42Å; A283-G286 PolarHBondContact O-N 3.19Å; A283-V291 HydrophobicContact CB-CG2 4.47Å; A283-P323 HydrophobicContact CB-CB 4.12Å; A283-H332 PolarHBondContact O-CD2 3.31Å; A283-V335 HydrophobicContact CB-CG1 3.97Å; A283-L339 HydrophobicContact CB-CD1 4.26Å |
| 284 | S | 96.1 | Very high | 97.6 | Very high | 42 Ų | 42 | 29.9 Ų | 29.9 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.5 | -25.4 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 113.5 | H280 H332 | H280-S284 WeakPolarHBondContact O-CB 3.18Å; H280-S284 PolarHBondContact O-N 2.92Å; S284-H332 PolarHBondContact O-NE2 3.14Å |
| 285 | R | 96.1 | Very high | 97.7 | Very high | 140 Ų | 140 | 25.4 Ų | 25.4 | 53% | 0.528 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.1 | -179.5 | -69.2 | -81.5 | -66.6 | 164.2 | 7.4 | 113.6 | T251 C281 A282 A283 N287 | T251-R285 HydrophobicContact CG2-CG 4.11Å; T251-R285 WeakPolarHBondContact O-CG 3.47Å; T251-R285 PolarHBondContact O-NE 2.85Å; C281-R285 VanDerWaalsContact O-CB 3.28Å; C281-R285 WeakPolarHBondContact O-CB 3.35Å; C281-R285 WeakPolarHBondContact O-CG 3.45Å; C281-R285 PolarHBondContact O-N 3.21Å; C281-R285 VanDerWaalsContact O-N 3.16Å; A282-R285 PolarHBondContact O-N 2.69Å; A283-R285 PolarHBondContact O-N 3.42Å; R285-N287 VanDerWaalsContact C-N 3.31Å; R285-N287 WeakPolarHBondContact CB-ND2 3.35Å |
| 286 | G | 95.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 25% | 0.247 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 18 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A282 A283 L288 H332 | A282-G286 PolarHBondContact O-N 3.07Å; A283-G286 PolarHBondContact O-N 3.19Å; G286-L288 PolarHBondContact O-N 3.32Å; G286-H332 WeakPolarHBondContact CA-CD2 3.46Å; G286-H332 VanDerWaalsContact CA-CG 3.47Å; G286-H332 PolarHBondContact N-CD2 3.24Å; G286-H332 PolarHBondContact N-NE2 3.47Å |
| 287 | N | 97.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 33 Ų | 33 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | trans | -77.5 | 68 | -173.4 | -66.7 | -26.1 | 0 | 0 | 0 | 111.2 | A250 T251 G253 A282 R285 Q289 T290 V291 | A250-N287 PolarHBondContact O-ND2 3.47Å; T251-N287 PolarHBondContact O-ND2 2.98Å; T251-N287 VanDerWaalsContact O-ND2 3.09Å; G253-N287 VanDerWaalsContact CA-CG 3.46Å; G253-N287 VanDerWaalsContact CA-ND2 3.26Å; G253-N287 WeakPolarHBondContact CA-ND2 3.35Å; G253-N287 PolarHBondContact N-ND2 2.89Å; G253-N287 VanDerWaalsContact N-ND2 3.18Å; A282-N287 HydrophobicContact CB-CB 4.39Å; A282-N287 PolarHBondContact O-N 2.95Å; R285-N287 VanDerWaalsContact C-N 3.31Å; R285-N287 WeakPolarHBondContact CB-ND2 3.35Å; N287-Q289 PolarHBondContact O-N 3.02Å; N287-T290 WeakPolarHBondContact O-CA 3.4Å; N287-T290 WeakPolarHBondContact O-CB 3.5Å; N287-T290 PolarHBondContact O-N 2.81Å; N287-V291 PolarHBondContact O-N 2.86Å | ||
| 288 | L | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 32.9 Ų | 32.9 | 30% | 0.298 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -49.5 | -49.6 | -171.5 | 178.2 | 62.7 | 0 | 0 | 0 | 113.7 | G286 T290 V291 Q292 H334 V335 C338 | G286-L288 PolarHBondContact O-N 3.32Å; L288-T290 VanDerWaalsContact C-N 3.3Å; L288-T290 PolarHBondContact O-N 3.09Å; L288-V291 PolarHBondContact O-N 3.09Å; L288-Q292 HydrophobicContact CD1-CG 4.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.35Å; L288-Q292 PolarHBondContact O-N 3.2Å; L288-H334 HydrophobicContact CD1-CB 4.44Å; L288-H334 WeakPolarHBondContact CD1-O 3.4Å; L288-H334 HydrophobicContact CD2-CB 4Å; L288-V335 HydrophobicContact CB-CG2 4.2Å; L288-V335 HydrophobicContact CD1-CG2 4.26Å; L288-C338 HydrophobicContact CD1-CB 3.77Å |
| 289 | Q | 98 | Very high | 97.4 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 51% | 0.505 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.7 | -40 | -179.9 | -171.1 | 67.4 | 36.8 | 0 | 0 | 111.5 | T255 N287 Q292 T293 | T255-Q289 HydrophobicContact CG2-CG 3.7Å; N287-Q289 PolarHBondContact O-N 3.02Å; Q289-Q292 WeakPolarHBondContact O-CB 3.47Å; Q289-Q292 PolarHBondContact O-N 3.09Å; Q289-T293 WeakPolarHBondContact O-CG2 3.46Å; Q289-T293 PolarHBondContact O-N 3.04Å; Q289-T293 PolarHBondContact O-OG1 2.83Å |
| 290 | T | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.6 | -33.7 | 178.1 | -44.8 | 0 | 0 | 0 | 0 | 112.2 | G253 T255 V258 A282 N287 L288 T293 I294 | G253-T290 PolarHBondContact O-OG1 2.85Å; T255-T290 PolarHBondContact OG1-OG1 3Å; V258-T290 HydrophobicContact CB-CG2 4.21Å; V258-T290 HydrophobicContact CG1-CG2 4.4Å; V258-T290 HydrophobicContact CG2-CG2 3.69Å; A282-T290 HydrophobicContact CB-CG2 4.37Å; N287-T290 WeakPolarHBondContact O-CA 3.4Å; N287-T290 WeakPolarHBondContact O-CB 3.5Å; N287-T290 PolarHBondContact O-N 2.81Å; L288-T290 VanDerWaalsContact C-N 3.3Å; L288-T290 PolarHBondContact O-N 3.09Å; T290-T293 PolarHBondContact O-OG1 3.23Å; T290-I294 HydrophobicContact CG2-CD1 4.13Å; T290-I294 WeakPolarHBondContact O-CB 3.31Å; T290-I294 WeakPolarHBondContact O-CD1 3.4Å; T290-I294 WeakPolarHBondContact O-CG1 3.47Å; T290-I294 PolarHBondContact O-N 3.48Å |
| 291 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 170 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | L279 A282 A283 N287 L288 I294 L295 V335 L339 | L279-V291 HydrophobicContact CD1-CG1 4.07Å; L279-V291 HydrophobicContact CD1-CG2 4.4Å; A282-V291 HydrophobicContact CB-CG2 3.66Å; A283-V291 HydrophobicContact CB-CG2 4.47Å; N287-V291 PolarHBondContact O-N 2.86Å; L288-V291 PolarHBondContact O-N 3.09Å; V291-I294 PolarHBondContact O-N 3.37Å; V291-L295 HydrophobicContact CG1-CD1 3.64Å; V291-L295 HydrophobicContact CG1-CG 4.33Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 VanDerWaalsContact O-CG 3.23Å; V291-L295 WeakPolarHBondContact O-CG 3.34Å; V291-L295 PolarHBondContact O-N 3.11Å; V291-V335 HydrophobicContact CG1-CG1 4.39Å; V291-V335 HydrophobicContact CG2-CG1 4.08Å; V291-L339 HydrophobicContact CG1-CD2 4.24Å; V291-L339 HydrophobicContact CG1-CG 4.35Å |
| 292 | Q | 98.3 | Very high | 96.8 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.6 | -74.3 | 174.1 | -17.5 | 0 | 0 | 112.5 | L288 Q289 L295 N296 C338 | L288-Q292 HydrophobicContact CD1-CG 4.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.35Å; L288-Q292 PolarHBondContact O-N 3.2Å; Q289-Q292 WeakPolarHBondContact O-CB 3.47Å; Q289-Q292 PolarHBondContact O-N 3.09Å; Q292-L295 PolarHBondContact O-N 3.29Å; Q292-N296 VanDerWaalsContact O-CB 3.25Å; Q292-N296 WeakPolarHBondContact O-CB 3.33Å; Q292-N296 PolarHBondContact O-N 3.33Å; Q292-N296 PolarHBondContact O-ND2 3.42Å; Q292-N296 PolarHBondContact O-OD1 3.47Å; Q292-C338 WeakPolarHBondContact CG-SG 3.49Å |
| 293 | T | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 178.9 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | T255 E259 Q289 T290 W297 | T255-T293 HydrophobicContact CG2-CG2 3.48Å; T255-T293 VanDerWaalsContact CG2-CG2 3.48Å; E259-T293 HydrophobicContact CG-CG2 4.22Å; E259-T293 WeakPolarHBondContact OE1-CG2 3.47Å; Q289-T293 WeakPolarHBondContact O-CG2 3.46Å; Q289-T293 PolarHBondContact O-N 3.04Å; Q289-T293 PolarHBondContact O-OG1 2.83Å; T290-T293 PolarHBondContact O-OG1 3.23Å; T293-W297 VanDerWaalsContact O-CB 3.31Å; T293-W297 WeakPolarHBondContact O-CB 3.08Å; T293-W297 PolarHBondContact O-N 2.88Å |
| 294 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 173.1 | -69.9 | 168.6 | 0 | 0 | 0 | 110.8 | A250 V258 L268 A278 L279 A282 T290 V291 W297 I298 | A250-I294 HydrophobicContact CB-CD1 4.25Å; V258-I294 HydrophobicContact CG1-CD1 4.29Å; V258-I294 HydrophobicContact CG1-CG1 3.77Å; L268-I294 HydrophobicContact CD1-CG1 4.38Å; L268-I294 HydrophobicContact CD1-CG2 3.95Å; L268-I294 HydrophobicContact CD2-CG2 4.09Å; A278-I294 HydrophobicContact CB-CD1 4.35Å; L279-I294 HydrophobicContact CB-CG2 4.17Å; L279-I294 HydrophobicContact CD1-CB 4.31Å; L279-I294 HydrophobicContact CD1-CG2 3.9Å; L279-I294 HydrophobicContact CD2-CG2 4.46Å; L279-I294 HydrophobicContact CG-CG2 4.39Å; A282-I294 HydrophobicContact CB-CD1 4.26Å; T290-I294 HydrophobicContact CG2-CD1 4.13Å; T290-I294 WeakPolarHBondContact O-CB 3.31Å; T290-I294 WeakPolarHBondContact O-CD1 3.4Å; T290-I294 WeakPolarHBondContact O-CG1 3.47Å; T290-I294 PolarHBondContact O-N 3.48Å; V291-I294 PolarHBondContact O-N 3.37Å; I294-W297 PolarHBondContact O-N 3.19Å; I294-I298 HydrophobicContact CG2-CD1 3.74Å; I294-I298 HydrophobicContact CG2-CG1 4.41Å; I294-I298 VanDerWaalsContact O-CG1 3.27Å; I294-I298 WeakPolarHBondContact O-CG1 3.39Å; I294-I298 PolarHBondContact O-N 3.32Å |
| 295 | L | 97.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 179.3 | -69 | 168 | 0 | 0 | 0 | 112.4 | L279 V291 Q292 W297 I298 T299 R313 L339 A342 | L279-L295 HydrophobicContact CD1-CG 4.44Å; L279-L295 HydrophobicContact CD2-CD2 4.04Å; V291-L295 HydrophobicContact CG1-CD1 3.64Å; V291-L295 HydrophobicContact CG1-CG 4.33Å; V291-L295 WeakPolarHBondContact O-CB 3.39Å; V291-L295 VanDerWaalsContact O-CG 3.23Å; V291-L295 WeakPolarHBondContact O-CG 3.34Å; V291-L295 PolarHBondContact O-N 3.11Å; Q292-L295 PolarHBondContact O-N 3.29Å; L295-W297 VanDerWaalsContact C-N 3.3Å; L295-W297 PolarHBondContact O-N 2.85Å; L295-I298 PolarHBondContact O-N 2.73Å; L295-T299 WeakPolarHBondContact O-CG2 3.39Å; L295-T299 PolarHBondContact O-N 3.33Å; L295-T299 PolarHBondContact O-OG1 2.97Å; L295-R313 HydrophobicContact CD2-CB 4.46Å; L295-R313 HydrophobicContact CD2-CG 3.99Å; L295-L339 HydrophobicContact CD1-CD2 4.11Å; L295-L339 HydrophobicContact CD2-CD2 4.34Å; L295-A342 HydrophobicContact CD1-CB 3.9Å; L295-A342 HydrophobicContact CD2-CB 4.13Å; L295-A342 HydrophobicContact CG-CB 4.46Å |
| 296 | N | 96.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.5 | -71.1 | -10.5 | 0 | 0 | 0 | 111 | Q292 T299 I300 | Q292-N296 VanDerWaalsContact O-CB 3.25Å; Q292-N296 WeakPolarHBondContact O-CB 3.33Å; Q292-N296 PolarHBondContact O-N 3.33Å; Q292-N296 PolarHBondContact O-ND2 3.42Å; Q292-N296 PolarHBondContact O-OD1 3.47Å; N296-T299 WeakPolarHBondContact CA-OG1 3.24Å; N296-T299 PolarHBondContact O-OG1 3.21Å; N296-I300 VanDerWaalsContact O-CB 3.27Å; N296-I300 WeakPolarHBondContact O-CB 3.41Å; N296-I300 WeakPolarHBondContact O-CD1 3.27Å; N296-I300 WeakPolarHBondContact O-CG1 3.37Å; N296-I300 PolarHBondContact O-N 3.36Å |
| 297 | W | 96.6 | Very high | 96 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -44.4 | 175.3 | -170.5 | 93.5 | 0 | 0 | 0 | 112.1 | L262 L268 T293 I294 L295 T299 I300 A301 | L262-W297 HydrophobicContact CB-CD2 4.36Å; L262-W297 HydrophobicContact CB-CG 4.28Å; L262-W297 HydrophobicContact CD1-CB 3.95Å; L262-W297 HydrophobicContact CD1-CD2 4.12Å; L262-W297 HydrophobicContact CD1-CG 3.77Å; L262-W297 HydrophobicContact CD2-CD2 3.88Å; L262-W297 HydrophobicContact CD2-CE3 4.02Å; L262-W297 HydrophobicContact CD2-CG 4.4Å; L262-W297 HydrophobicContact CD2-CH2 4.27Å; L262-W297 HydrophobicContact CD2-CZ2 4.15Å; L262-W297 HydrophobicContact CD2-CZ3 4.21Å; L262-W297 HydrophobicContact CG-CD2 4.35Å; L262-W297 HydrophobicContact CG-CG 4.38Å; L268-W297 HydrophobicContact CB-CZ3 4.29Å; L268-W297 HydrophobicContact CD2-CE3 3.59Å; L268-W297 HydrophobicContact CD2-CZ3 3.73Å; T293-W297 VanDerWaalsContact O-CB 3.31Å; T293-W297 WeakPolarHBondContact O-CB 3.08Å; T293-W297 PolarHBondContact O-N 2.88Å; I294-W297 PolarHBondContact O-N 3.19Å; L295-W297 VanDerWaalsContact C-N 3.3Å; L295-W297 PolarHBondContact O-N 2.85Å; W297-T299 VanDerWaalsContact C-N 3.33Å; W297-T299 PolarHBondContact O-N 3.4Å; W297-I300 PolarHBondContact O-N 2.8Å; W297-A301 HydrophobicContact CD2-CB 4.15Å; W297-A301 HydrophobicContact CE3-CB 4.12Å; W297-A301 HydrophobicContact CH2-CB 4.12Å; W297-A301 HydrophobicContact CZ2-CB 4.13Å; W297-A301 HydrophobicContact CZ3-CB 4.11Å; W297-A301 WeakPolarHBondContact O-CB 3.36Å; W297-A301 PolarHBondContact O-N 3.13Å |
| 298 | I | 96 | Very high | 95.9 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 176 | -71.6 | 164.6 | 0 | 0 | 0 | 110.6 | L268 L279 I294 L295 N302 V309 L312 | L268-I298 HydrophobicContact CD2-CD1 4.01Å; L268-I298 HydrophobicContact CD2-CG1 3.56Å; L279-I298 HydrophobicContact CD2-CD1 4.28Å; I294-I298 HydrophobicContact CG2-CD1 3.74Å; I294-I298 HydrophobicContact CG2-CG1 4.41Å; I294-I298 VanDerWaalsContact O-CG1 3.27Å; I294-I298 WeakPolarHBondContact O-CG1 3.39Å; I294-I298 PolarHBondContact O-N 3.32Å; L295-I298 PolarHBondContact O-N 2.73Å; I298-N302 WeakPolarHBondContact O-CB 3.23Å; I298-N302 PolarHBondContact O-N 3.02Å; I298-N302 PolarHBondContact O-ND2 3.13Å; I298-V309 HydrophobicContact CG2-CB 4.45Å; I298-V309 HydrophobicContact CG2-CG1 4.21Å; I298-L312 HydrophobicContact CD1-CB 4.02Å; I298-L312 HydrophobicContact CG1-CB 4.13Å; I298-L312 HydrophobicContact CG2-CB 3.82Å; I298-L312 HydrophobicContact CG2-CD1 4.35Å |
| 299 | T | 95 | Very high | 95.8 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 179.9 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | L295 N296 W297 K303 V309 | L295-T299 WeakPolarHBondContact O-CG2 3.39Å; L295-T299 PolarHBondContact O-N 3.33Å; L295-T299 PolarHBondContact O-OG1 2.97Å; N296-T299 WeakPolarHBondContact CA-OG1 3.24Å; N296-T299 PolarHBondContact O-OG1 3.21Å; W297-T299 VanDerWaalsContact C-N 3.33Å; W297-T299 PolarHBondContact O-N 3.4Å; T299-K303 WeakPolarHBondContact O-CG 3.34Å; T299-K303 PolarHBondContact O-N 3.35Å; T299-V309 HydrophobicContact CG2-CG1 3.95Å |
| 300 | I | 94.9 | Very high | 95.7 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.3 | -39 | 179.4 | -69.2 | 167 | 0 | 0 | 0 | 112.4 | N296 W297 N302 | N296-I300 VanDerWaalsContact O-CB 3.27Å; N296-I300 WeakPolarHBondContact O-CB 3.41Å; N296-I300 WeakPolarHBondContact O-CD1 3.27Å; N296-I300 WeakPolarHBondContact O-CG1 3.37Å; N296-I300 PolarHBondContact O-N 3.36Å; W297-I300 PolarHBondContact O-N 2.8Å; I300-N302 VanDerWaalsContact C-N 3.32Å; I300-N302 PolarHBondContact O-N 3.13Å |
| 301 | A | 93.4 | Very high | 95.5 | Very high | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.7 | -12.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | W297 | W297-A301 HydrophobicContact CD2-CB 4.15Å; W297-A301 HydrophobicContact CE3-CB 4.12Å; W297-A301 HydrophobicContact CH2-CB 4.12Å; W297-A301 HydrophobicContact CZ2-CB 4.13Å; W297-A301 HydrophobicContact CZ3-CB 4.11Å; W297-A301 WeakPolarHBondContact O-CB 3.36Å; W297-A301 PolarHBondContact O-N 3.13Å |
| 302 | N | 93.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | 31.2 | -175.6 | -50.4 | -82.8 | 0 | 0 | 0 | 112.5 | I298 I300 D304 D305 K308 V309 | I298-N302 WeakPolarHBondContact O-CB 3.23Å; I298-N302 PolarHBondContact O-N 3.02Å; I298-N302 PolarHBondContact O-ND2 3.13Å; I300-N302 VanDerWaalsContact C-N 3.32Å; I300-N302 PolarHBondContact O-N 3.13Å; N302-D304 PolarHBondContact O-N 3.31Å; N302-D304 VanDerWaalsContact O-N 3.12Å; N302-D305 CarbonylContact O-C 3.56Å; N302-D305 PolarHBondContact O-N 3.47Å; N302-K308 HydrophobicContact CB-CD 4.49Å; N302-K308 VanDerWaalsContact OD1-CD 3.22Å; N302-K308 WeakPolarHBondContact OD1-CD 3.34Å; N302-K308 WeakPolarHBondContact OD1-CE 3.49Å; N302-K308 PolarHBondContact OD1-NZ 3.11Å; N302-V309 HydrophobicContact CB-CG2 3.76Å; N302-V309 WeakPolarHBondContact O-CG2 3.34Å |
| 303 | K | 90.6 | Very high | 95.4 | Very high | 153 Ų | 153 | 66.7 Ų | 66.7 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -34.9 | -176.7 | -69.4 | -176.3 | -176.6 | -175.5 | 0 | 114.2 | T299 D305 | T299-K303 WeakPolarHBondContact O-CG 3.34Å; T299-K303 PolarHBondContact O-N 3.35Å; K303-D305 VanDerWaalsContact C-N 3.32Å |
| 304 | D | 94.4 | Very high | 95.3 | Very high | 173 Ų | 173 | 66.9 Ų | 66.9 | 93% | 0.925 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.4 | -177.1 | -48.5 | -47.3 | 0 | 0 | 0 | 113.1 | N302 | N302-D304 PolarHBondContact O-N 3.31Å; N302-D304 VanDerWaalsContact O-N 3.12Å |
| 305 | D | 94.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 34% | 0.342 | 36% | 0.355 | S | S | . | . | trans | -135.4 | 80.1 | -176.5 | -174.5 | -6.2 | 0 | 0 | 0 | 110.9 | N302 K303 S307 K308 V309 | N302-D305 CarbonylContact O-C 3.56Å; N302-D305 PolarHBondContact O-N 3.47Å; K303-D305 VanDerWaalsContact C-N 3.32Å; D305-S307 PolarHBondContact O-N 3.34Å; D305-S307 WeakPolarHBondContact OD1-CB 3.32Å; D305-S307 PolarHBondContact OD1-N 2.86Å; D305-S307 PolarHBondContact OD1-OG 3.34Å; D305-K308 HydrophobicContact CB-CB 4.06Å; D305-K308 PolarHBondContact O-N 3.4Å; D305-K308 VanDerWaalsContact O-N 3.12Å; D305-K308 PolarHBondContact OD1-N 3.35Å; D305-K308 VanDerWaalsContact OD2-CB 3.22Å; D305-K308 WeakPolarHBondContact OD2-CB 3.25Å; D305-V309 PolarHBondContact O-N 2.99Å | ||
| 306 | E | 93.5 | Very high | 95.2 | Very high | 166 Ų | 166 | 69.2 Ų | 69.2 | 78% | 0.776 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.5 | -32 | 176.1 | -173.6 | 176.8 | -168.7 | 0 | 0 | 112.5 | K308 V309 A310 | E306-K308 VanDerWaalsContact C-N 3.32Å; E306-K308 PolarHBondContact O-N 3.21Å; E306-V309 WeakPolarHBondContact O-CB 3.47Å; E306-V309 PolarHBondContact O-N 3.13Å; E306-A310 PolarHBondContact O-N 3.24Å |
| 307 | S | 94.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65 | -38.6 | 178.7 | 83.1 | 0 | 0 | 0 | 0 | 111.7 | D305 L311 | D305-S307 PolarHBondContact O-N 3.34Å; D305-S307 WeakPolarHBondContact OD1-CB 3.32Å; D305-S307 PolarHBondContact OD1-N 2.86Å; D305-S307 PolarHBondContact OD1-OG 3.34Å; S307-L311 WeakPolarHBondContact O-CB 3.5Å; S307-L311 PolarHBondContact O-N 3.05Å |
| 308 | K | 94.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.6 | -33.9 | 174.8 | -173.6 | 178 | 176.6 | -150 | 0 | 112.2 | N302 D305 E306 L311 L312 | N302-K308 HydrophobicContact CB-CD 4.49Å; N302-K308 VanDerWaalsContact OD1-CD 3.22Å; N302-K308 WeakPolarHBondContact OD1-CD 3.34Å; N302-K308 WeakPolarHBondContact OD1-CE 3.49Å; N302-K308 PolarHBondContact OD1-NZ 3.11Å; D305-K308 HydrophobicContact CB-CB 4.06Å; D305-K308 PolarHBondContact O-N 3.4Å; D305-K308 VanDerWaalsContact O-N 3.12Å; D305-K308 PolarHBondContact OD1-N 3.35Å; D305-K308 VanDerWaalsContact OD2-CB 3.22Å; D305-K308 WeakPolarHBondContact OD2-CB 3.25Å; E306-K308 VanDerWaalsContact C-N 3.32Å; E306-K308 PolarHBondContact O-N 3.21Å; K308-L311 PolarHBondContact O-N 3.23Å; K308-L312 HydrophobicContact CG-CD1 4.27Å; K308-L312 HydrophobicContact CG-CG 4.48Å; K308-L312 WeakPolarHBondContact O-CB 3.49Å; K308-L312 VanDerWaalsContact O-CG 3.26Å; K308-L312 WeakPolarHBondContact O-CG 3.45Å; K308-L312 PolarHBondContact O-N 2.94Å |
| 309 | V | 96 | Very high | 95.3 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 13% | 0.127 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57 | -50.1 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | I298 T299 N302 D305 E306 L312 R313 | I298-V309 HydrophobicContact CG2-CB 4.45Å; I298-V309 HydrophobicContact CG2-CG1 4.21Å; T299-V309 HydrophobicContact CG2-CG1 3.95Å; N302-V309 HydrophobicContact CB-CG2 3.76Å; N302-V309 WeakPolarHBondContact O-CG2 3.34Å; D305-V309 PolarHBondContact O-N 2.99Å; E306-V309 WeakPolarHBondContact O-CB 3.47Å; E306-V309 PolarHBondContact O-N 3.13Å; V309-L312 PolarHBondContact O-N 3.21Å; V309-R313 VanDerWaalsContact O-CB 3.29Å; V309-R313 WeakPolarHBondContact O-CB 3.49Å; V309-R313 PolarHBondContact O-N 3.05Å |
| 310 | A | 95.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E306 L312 R313 D314 | E306-A310 PolarHBondContact O-N 3.24Å; A310-L312 VanDerWaalsContact C-N 3.28Å; A310-L312 PolarHBondContact O-N 3.33Å; A310-R313 PolarHBondContact O-N 2.97Å; A310-D314 PolarHBondContact O-N 3.38Å |
| 311 | L | 95.3 | Very high | 95.5 | Very high | 118 Ų | 118 | 62 Ų | 62 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.6 | -35.5 | 179.2 | -177.6 | 65.6 | 0 | 0 | 0 | 113.6 | S307 K308 V315 | S307-L311 WeakPolarHBondContact O-CB 3.5Å; S307-L311 PolarHBondContact O-N 3.05Å; K308-L311 PolarHBondContact O-N 3.23Å; L311-V315 WeakPolarHBondContact O-CA 3.42Å; L311-V315 PolarHBondContact O-N 2.88Å |
| 312 | L | 96.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.3 | -33 | 179.6 | -65.2 | -177.1 | 0 | 0 | 0 | 113 | N269 I298 K308 V309 A310 V315 | N269-L312 HydrophobicContact CB-CD2 4.33Å; N269-L312 VanDerWaalsContact CG-CD2 3.44Å; N269-L312 WeakPolarHBondContact OD1-CD2 3.43Å; I298-L312 HydrophobicContact CD1-CB 4.02Å; I298-L312 HydrophobicContact CG1-CB 4.13Å; I298-L312 HydrophobicContact CG2-CB 3.82Å; I298-L312 HydrophobicContact CG2-CD1 4.35Å; K308-L312 HydrophobicContact CG-CD1 4.27Å; K308-L312 HydrophobicContact CG-CG 4.48Å; K308-L312 WeakPolarHBondContact O-CB 3.49Å; K308-L312 VanDerWaalsContact O-CG 3.26Å; K308-L312 WeakPolarHBondContact O-CG 3.45Å; K308-L312 PolarHBondContact O-N 2.94Å; V309-L312 PolarHBondContact O-N 3.21Å; A310-L312 VanDerWaalsContact C-N 3.28Å; A310-L312 PolarHBondContact O-N 3.33Å; L312-V315 WeakPolarHBondContact O-CG1 3.45Å |
| 313 | R | 97.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 15% | 0.151 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -47.7 | 173.9 | 176.9 | -170.2 | 66.8 | -160 | 0.4 | 111.7 | L279 L295 V309 A310 V315 A342 G343 A344 | L279-R313 WeakPolarHBondContact CD2-O 3.41Å; L295-R313 HydrophobicContact CD2-CB 4.46Å; L295-R313 HydrophobicContact CD2-CG 3.99Å; V309-R313 VanDerWaalsContact O-CB 3.29Å; V309-R313 WeakPolarHBondContact O-CB 3.49Å; V309-R313 PolarHBondContact O-N 3.05Å; A310-R313 PolarHBondContact O-N 2.97Å; R313-V315 VanDerWaalsContact C-N 3.35Å; R313-A342 WeakPolarHBondContact CD-O 3.49Å; R313-A342 PolarHBondContact NH1-O 3.19Å; R313-G343 VanDerWaalsContact NH1-C 3.27Å; R313-G343 PolarHBondContact NH1-O 3Å; R313-G343 PolarHBondContact NH2-O 2.96Å; R313-A344 HydrophobicContact CG-CB 4.36Å |
| 314 | D | 96.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -100.5 | 23.9 | -174.9 | -58.5 | -49.2 | 0 | 0 | 0 | 112.6 | A310 N316 A344 D345 | A310-D314 PolarHBondContact O-N 3.38Å; D314-N316 PolarHBondContact O-N 3.33Å; D314-A344 VanDerWaalsContact OD1-CA 3.3Å; D314-A344 WeakPolarHBondContact OD1-CA 3.44Å; D314-A344 WeakPolarHBondContact OD1-CB 3.42Å; D314-D345 PolarHBondContact OD1-N 2.81Å; D314-D345 PolarHBondContact OD2-N 3.48Å |
| 315 | V | 96.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | trans | -47.6 | 129.7 | 179 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | A277 H280 L311 L312 R313 P323 | A277-V315 HydrophobicContact CB-CG1 4.01Å; A277-V315 HydrophobicContact CB-CG2 4Å; H280-V315 PolarHBondContact CE1-O 3Å; H280-V315 PolarHBondContact NE2-O 3.28Å; L311-V315 WeakPolarHBondContact O-CA 3.42Å; L311-V315 PolarHBondContact O-N 2.88Å; L312-V315 WeakPolarHBondContact O-CG1 3.45Å; R313-V315 VanDerWaalsContact C-N 3.35Å; V315-P323 HydrophobicContact CG1-CG 3.96Å; V315-P323 WeakPolarHBondContact O-CD 3.43Å | ||
| 316 | N | 97.2 | Very high | 96.4 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | trans | -86.2 | 146 | -178.1 | -50 | 93.1 | 0 | 0 | 0 | 113.9 | K271 D314 G320 C321 H348 | K271-N316 WeakPolarHBondContact CE-O 3.46Å; K271-N316 PolarHBondContact NZ-O 3.41Å; D314-N316 PolarHBondContact O-N 3.33Å; N316-G320 PolarHBondContact ND2-O 3.2Å; N316-C321 CarbonylContact C-O 3.58Å; N316-C321 WeakPolarHBondContact CA-O 3.46Å; N316-H348 PolarHBondContact ND2-CE1 3.46Å; N316-H348 PolarHBondContact ND2-NE2 3.03Å | ||
| 317 | D | 97.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | trans | -81.2 | -171.2 | 161.5 | 75.4 | 5.1 | 0 | 0 | 0 | 112.9 | L276 D319 G320 C321 Y326 | L276-D317 HydrophobicContact CD2-CB 3.91Å; D317-D319 VanDerWaalsContact C-N 3.32Å; D317-D319 PolarHBondContact O-N 3.31Å; D317-D319 VanDerWaalsContact OD1-C 3.31Å; D317-D319 WeakPolarHBondContact OD1-CA 3.48Å; D317-D319 PolarHBondContact OD1-N 3.07Å; D317-G320 PolarHBondContact O-N 2.63Å; D317-G320 PolarHBondContact OD1-N 3.18Å; D317-C321 PolarHBondContact N-O 3.46Å; D317-C321 PolarHBondContact OD1-N 3.09Å; D317-C321 WeakPolarHBondContact OD2-CB 3.45Å; D317-Y326 WeakPolarHBondContact OD2-CE2 3.36Å; D317-Y326 PolarHBondContact OD2-OH 3.49Å | ||
| 318 | N | 97.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 31.3 Ų | 31.3 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.7 | 178.2 | -71.5 | -7.3 | 0 | 0 | 0 | 114.6 | S273 H274 G275 F351 | S273-N318 PolarHBondContact O-ND2 3.18Å; H274-N318 WeakPolarHBondContact CA-ND2 3.47Å; H274-N318 VanDerWaalsContact O-CB 3.3Å; H274-N318 WeakPolarHBondContact O-CB 3.45Å; H274-N318 VanDerWaalsContact O-CG 3.24Å; H274-N318 PolarHBondContact O-N 3.05Å; H274-N318 VanDerWaalsContact O-N 3.11Å; H274-N318 PolarHBondContact O-ND2 3.27Å; G275-N318 VanDerWaalsContact CA-OD1 3.3Å; G275-N318 WeakPolarHBondContact CA-OD1 3.47Å; G275-N318 PolarHBondContact N-ND2 3.26Å; G275-N318 PolarHBondContact N-OD1 2.94Å; N318-F351 WeakPolarHBondContact O-CD2 3.21Å; N318-F351 WeakPolarHBondContact O-CE2 3.36Å |
| 319 | D | 96 | Very high | 96.3 | Very high | 77 Ų | 77 | 29.7 Ų | 29.7 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -5.9 | 172.5 | -96 | -57.9 | 0 | 0 | 0 | 111.7 | D317 D350 F351 K352 | D317-D319 VanDerWaalsContact C-N 3.32Å; D317-D319 PolarHBondContact O-N 3.31Å; D317-D319 VanDerWaalsContact OD1-C 3.31Å; D317-D319 WeakPolarHBondContact OD1-CA 3.48Å; D317-D319 PolarHBondContact OD1-N 3.07Å; D319-D350 WeakPolarHBondContact O-CB 3.17Å; D319-F351 WeakPolarHBondContact O-CB 3.44Å; D319-F351 WeakPolarHBondContact O-CD2 3.28Å; D319-F351 WeakPolarHBondContact O-CG 3.23Å; D319-F351 PolarHBondContact O-N 3.2Å; D319-K352 IonicContact OD1-NZ 2.85Å; D319-K352 PolarHBondContact OD1-NZ 2.84Å |
| 320 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 90.4 | 0.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N316 D317 H348 | N316-G320 PolarHBondContact ND2-O 3.2Å; D317-G320 PolarHBondContact O-N 2.63Å; D317-G320 PolarHBondContact OD1-N 3.18Å; G320-H348 PolarHBondContact O-NE2 3.23Å |
| 321 | C | 97.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | trans | -71.1 | 145.2 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | H280 N316 D317 F325 Y326 | H280-C321 PolarHBondContact NE2-O 3.25Å; N316-C321 CarbonylContact C-O 3.58Å; N316-C321 WeakPolarHBondContact CA-O 3.46Å; D317-C321 PolarHBondContact N-O 3.46Å; D317-C321 PolarHBondContact OD1-N 3.09Å; D317-C321 WeakPolarHBondContact OD2-CB 3.45Å; C321-F325 HydrophobicContact CB-CB 3.88Å; C321-F325 HydrophobicContact CB-CD1 4.03Å; C321-F325 HydrophobicContact CB-CG 3.93Å; C321-Y326 HydrophobicContact CB-CE2 4.07Å | ||
| 322 | S | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -97.9 | 171.3 | 173 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | L324 F325 | S322-L324 PolarHBondContact O-N 2.89Å; S322-L324 VanDerWaalsContact O-N 3.09Å; S322-F325 WeakPolarHBondContact O-CB 3.42Å; S322-F325 PolarHBondContact O-N 3.39Å; S322-F325 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 323 | P | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -26.4 | 179 | -26.5 | 37.2 | 0 | 0 | 0 | 113.9 | L279 A283 V315 F325 Y326 S327 L339 | L279-P323 HydrophobicContact CB-CG 4.06Å; L279-P323 HydrophobicContact CD2-CB 4.37Å; L279-P323 HydrophobicContact CD2-CG 3.95Å; L279-P323 HydrophobicContact CG-CB 3.85Å; L279-P323 HydrophobicContact CG-CG 3.72Å; A283-P323 HydrophobicContact CB-CB 4.12Å; V315-P323 HydrophobicContact CG1-CG 3.96Å; V315-P323 WeakPolarHBondContact O-CD 3.43Å; P323-F325 PolarHBondContact O-N 3.01Å; P323-Y326 PolarHBondContact O-N 3.43Å; P323-S327 PolarHBondContact O-N 3.49Å; P323-S327 VanDerWaalsContact O-N 3.1Å; P323-L339 HydrophobicContact CB-CD1 4.42Å; P323-L339 HydrophobicContact CB-CD2 4.5Å |
| 324 | L | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.3 | -174.9 | 62.5 | 0 | 0 | 0 | 111.5 | S322 Y326 S327 V328 T336 L339 I340 A344 V346 V356 | S322-L324 PolarHBondContact O-N 2.89Å; S322-L324 VanDerWaalsContact O-N 3.09Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.08Å; L324-S327 PolarHBondContact O-N 3.03Å; L324-S327 PolarHBondContact O-OG 2.77Å; L324-V328 WeakPolarHBondContact O-CG2 3.43Å; L324-V328 PolarHBondContact O-N 2.66Å; L324-T336 HydrophobicContact CD1-CG2 3.94Å; L324-L339 HydrophobicContact CD1-CB 4.07Å; L324-L339 HydrophobicContact CD1-CD1 4.4Å; L324-I340 HydrophobicContact CD1-CG1 4.2Å; L324-A344 HydrophobicContact CD2-CB 4.42Å; L324-V346 HydrophobicContact CD2-CG2 4.2Å; L324-V356 HydrophobicContact CD2-CG1 4.03Å; L324-V356 HydrophobicContact CG-CG1 4.1Å |
| 325 | F | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.4 | -42.6 | 176.8 | -77.7 | -118.2 | 0 | 0 | 0 | 111.5 | C321 S322 P323 V328 A329 H348 D350 R354 V356 C359 | C321-F325 HydrophobicContact CB-CB 3.88Å; C321-F325 HydrophobicContact CB-CD1 4.03Å; C321-F325 HydrophobicContact CB-CG 3.93Å; S322-F325 WeakPolarHBondContact O-CB 3.42Å; S322-F325 PolarHBondContact O-N 3.39Å; S322-F325 WeakPolarHBondContact OG-CD2 3.4Å; P323-F325 PolarHBondContact O-N 3.01Å; F325-V328 PolarHBondContact O-N 2.8Å; F325-A329 VanDerWaalsContact O-CB 3.23Å; F325-A329 WeakPolarHBondContact O-CB 3.37Å; F325-A329 PolarHBondContact O-N 2.85Å; F325-H348 HydrophobicContact CE2-CB 4.47Å; F325-H348 AromaticContact CE2-CD2 3.74Å; F325-H348 WeakPolarHBondContact CZ-O 3.38Å; F325-D350 HydrophobicContact CE1-CB 4.21Å; F325-R354 VanDerWaalsContact CE1-O 3.24Å; F325-R354 WeakPolarHBondContact CE1-O 3.28Å; F325-R354 VanDerWaalsContact CZ-O 3.27Å; F325-R354 WeakPolarHBondContact CZ-O 3.34Å; F325-V356 HydrophobicContact CD2-CG1 3.55Å; F325-V356 HydrophobicContact CE1-CG1 4.49Å; F325-V356 HydrophobicContact CE2-CG1 3.45Å; F325-V356 VanDerWaalsContact CE2-CG1 3.45Å; F325-V356 HydrophobicContact CG-CG1 4.1Å; F325-V356 HydrophobicContact CZ-CG1 3.96Å; F325-C359 HydrophobicContact CD1-CB 4.47Å; F325-C359 WeakPolarHBondContact CD1-SG 3.48Å |
| 326 | Y | 95.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 31.8 Ų | 31.8 | 24% | 0.235 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.7 | -80.4 | -91.5 | 0 | 0 | 0 | 112.2 | L276 H280 D317 C321 P323 L324 V328 A329 T330 | L276-Y326 HydrophobicContact CD2-CE1 4.28Å; L276-Y326 HydrophobicContact CD2-CE2 4.06Å; L276-Y326 WeakPolarHBondContact CD2-OH 3.49Å; H280-Y326 AromaticContact CD2-CD2 3.62Å; H280-Y326 AromaticContact CD2-CE2 3.72Å; D317-Y326 WeakPolarHBondContact OD2-CE2 3.36Å; D317-Y326 PolarHBondContact OD2-OH 3.49Å; C321-Y326 HydrophobicContact CB-CE2 4.07Å; P323-Y326 PolarHBondContact O-N 3.43Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.08Å; Y326-V328 VanDerWaalsContact C-N 3.29Å; Y326-V328 PolarHBondContact O-N 3.02Å; Y326-A329 PolarHBondContact O-N 2.85Å; Y326-T330 WeakPolarHBondContact O-CB 3.4Å; Y326-T330 WeakPolarHBondContact O-CG2 3.33Å; Y326-T330 PolarHBondContact O-N 2.99Å; Y326-T330 VanDerWaalsContact O-N 3.09Å; Y326-T330 PolarHBondContact O-OG1 2.77Å |
| 327 | S | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 112.6 | P323 L324 T330 G331 H332 T336 | P323-S327 PolarHBondContact O-N 3.49Å; P323-S327 VanDerWaalsContact O-N 3.1Å; L324-S327 PolarHBondContact O-N 3.03Å; L324-S327 PolarHBondContact O-OG 2.77Å; S327-T330 PolarHBondContact O-OG1 2.84Å; S327-G331 PolarHBondContact O-N 3.14Å; S327-H332 PolarHBondContact O-N 2.95Å; S327-T336 WeakPolarHBondContact CB-OG1 3.48Å; S327-T336 PolarHBondContact OG-OG1 3.37Å |
| 328 | V | 93.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.5 | -52.6 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L324 F325 Y326 T330 G331 T336 L360 Q379 L383 | L324-V328 WeakPolarHBondContact O-CG2 3.43Å; L324-V328 PolarHBondContact O-N 2.66Å; F325-V328 PolarHBondContact O-N 2.8Å; Y326-V328 VanDerWaalsContact C-N 3.29Å; Y326-V328 PolarHBondContact O-N 3.02Å; V328-T330 PolarHBondContact O-N 2.7Å; V328-G331 PolarHBondContact O-N 2.96Å; V328-G331 VanDerWaalsContact O-N 3.07Å; V328-T336 HydrophobicContact CG2-CG2 3.84Å; V328-L360 HydrophobicContact CG1-CB 4.06Å; V328-L360 HydrophobicContact CG1-CD1 3.81Å; V328-Q379 PolarHBondContact O-NE2 3.43Å; V328-L383 HydrophobicContact CG2-CD1 4.15Å; V328-L383 HydrophobicContact CG2-CD2 4.47Å |
| 329 | A | 91 | Very high | 95.4 | Very high | 52 Ų | 52 | 28.1 Ų | 28.1 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.2 | -18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F325 Y326 L363 | F325-A329 VanDerWaalsContact O-CB 3.23Å; F325-A329 WeakPolarHBondContact O-CB 3.37Å; F325-A329 PolarHBondContact O-N 2.85Å; Y326-A329 PolarHBondContact O-N 2.85Å; A329-L363 WeakPolarHBondContact O-CD2 3.25Å |
| 330 | T | 89.8 | Confident | 95.4 | Very high | 53 Ų | 53 | 26 Ų | 26 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -99.9 | -10.4 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | Y326 S327 V328 H332 | Y326-T330 WeakPolarHBondContact O-CB 3.4Å; Y326-T330 WeakPolarHBondContact O-CG2 3.33Å; Y326-T330 PolarHBondContact O-N 2.99Å; Y326-T330 VanDerWaalsContact O-N 3.09Å; Y326-T330 PolarHBondContact O-OG1 2.77Å; S327-T330 PolarHBondContact O-OG1 2.84Å; V328-T330 PolarHBondContact O-N 2.7Å; T330-H332 PolarHBondContact OG1-CD2 3.32Å |
| 331 | G | 89.5 | Confident | 95.4 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 19.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S327 V328 I333 L375 | S327-G331 PolarHBondContact O-N 3.14Å; V328-G331 PolarHBondContact O-N 2.96Å; V328-G331 VanDerWaalsContact O-N 3.07Å; G331-I333 PolarHBondContact O-N 2.74Å; G331-L375 WeakPolarHBondContact O-CD1 3.29Å |
| 332 | H | 92.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | trans | -84.5 | 73.6 | -175.5 | -67.9 | -47.4 | 0 | 0 | 0 | 112.6 | A283 S284 G286 S327 T330 H334 V335 T336 | A283-H332 PolarHBondContact O-CD2 3.31Å; S284-H332 PolarHBondContact O-NE2 3.14Å; G286-H332 WeakPolarHBondContact CA-CD2 3.46Å; G286-H332 VanDerWaalsContact CA-CG 3.47Å; G286-H332 PolarHBondContact N-CD2 3.24Å; G286-H332 PolarHBondContact N-NE2 3.47Å; S327-H332 PolarHBondContact O-N 2.95Å; T330-H332 PolarHBondContact OG1-CD2 3.32Å; H332-H334 PolarHBondContact O-N 3.26Å; H332-V335 HydrophobicContact CB-CB 4.05Å; H332-V335 HydrophobicContact CB-CG2 4.21Å; H332-V335 WeakPolarHBondContact O-CA 3.43Å; H332-V335 WeakPolarHBondContact O-CB 3.35Å; H332-V335 PolarHBondContact O-N 3.44Å; H332-T336 PolarHBondContact O-N 3.49Å; H332-T336 PolarHBondContact O-OG1 2.84Å | ||
| 333 | I | 92.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 37 Ų | 37 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -42.8 | -57.5 | -174.6 | -54.9 | 171 | 0 | 0 | 0 | 113.3 | G331 V335 T336 E337 L375 T378 Q379 | G331-I333 PolarHBondContact O-N 2.74Å; I333-V335 PolarHBondContact O-N 2.68Å; I333-T336 WeakPolarHBondContact O-CA 3.49Å; I333-T336 WeakPolarHBondContact O-CB 3.31Å; I333-T336 PolarHBondContact O-N 3.33Å; I333-E337 HydrophobicContact CG2-CG 4.41Å; I333-E337 WeakPolarHBondContact CG2-OE1 3.45Å; I333-E337 PolarHBondContact O-N 2.89Å; I333-L375 HydrophobicContact CD1-CD1 3.67Å; I333-L375 HydrophobicContact CG1-CD1 3.47Å; I333-L375 VanDerWaalsContact CG1-CD1 3.47Å; I333-T378 WeakPolarHBondContact CD1-OG1 3.4Å; I333-Q379 HydrophobicContact CG1-CG 4.27Å |
| 334 | H | 95.8 | Very high | 95.2 | Very high | 120 Ų | 120 | 37.2 Ų | 37.2 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.7 | -25.3 | -176.2 | -59.7 | -48.6 | 0 | 0 | 0 | 113.8 | L288 H332 E337 C338 | L288-H334 HydrophobicContact CD1-CB 4.44Å; L288-H334 WeakPolarHBondContact CD1-O 3.4Å; L288-H334 HydrophobicContact CD2-CB 4Å; H332-H334 PolarHBondContact O-N 3.26Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 IonicContact ND1-OE2 3.12Å; H334-C338 VanDerWaalsContact O-CB 3.23Å; H334-C338 WeakPolarHBondContact O-CB 3.36Å; H334-C338 PolarHBondContact O-N 3.02Å |
| 335 | V | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.5 | -42.4 | 171.9 | 173 | 0 | 0 | 0 | 0 | 110.3 | A283 L288 V291 H332 I333 C338 L339 | A283-V335 HydrophobicContact CB-CG1 3.97Å; L288-V335 HydrophobicContact CB-CG2 4.2Å; L288-V335 HydrophobicContact CD1-CG2 4.26Å; V291-V335 HydrophobicContact CG1-CG1 4.39Å; V291-V335 HydrophobicContact CG2-CG1 4.08Å; H332-V335 HydrophobicContact CB-CB 4.05Å; H332-V335 HydrophobicContact CB-CG2 4.21Å; H332-V335 WeakPolarHBondContact O-CA 3.43Å; H332-V335 WeakPolarHBondContact O-CB 3.35Å; H332-V335 PolarHBondContact O-N 3.44Å; I333-V335 PolarHBondContact O-N 2.68Å; V335-C338 PolarHBondContact O-N 2.83Å; V335-L339 HydrophobicContact CG1-CD1 3.96Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CG 3.45Å; V335-L339 PolarHBondContact O-N 2.96Å |
| 336 | T | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -49.8 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | L324 S327 V328 H332 I333 C338 L339 I340 L383 | L324-T336 HydrophobicContact CD1-CG2 3.94Å; S327-T336 WeakPolarHBondContact CB-OG1 3.48Å; S327-T336 PolarHBondContact OG-OG1 3.37Å; V328-T336 HydrophobicContact CG2-CG2 3.84Å; H332-T336 PolarHBondContact O-N 3.49Å; H332-T336 PolarHBondContact O-OG1 2.84Å; I333-T336 WeakPolarHBondContact O-CA 3.49Å; I333-T336 WeakPolarHBondContact O-CB 3.31Å; I333-T336 PolarHBondContact O-N 3.33Å; T336-C338 VanDerWaalsContact C-N 3.32Å; T336-C338 PolarHBondContact O-N 3.1Å; T336-L339 PolarHBondContact O-N 3.47Å; T336-I340 HydrophobicContact CG2-CD1 3.88Å; T336-I340 WeakPolarHBondContact O-CB 3.35Å; T336-I340 WeakPolarHBondContact O-CD1 3.11Å; T336-I340 VanDerWaalsContact O-CG1 3.28Å; T336-I340 WeakPolarHBondContact O-CG1 3.47Å; T336-I340 PolarHBondContact O-N 2.91Å; T336-L383 HydrophobicContact CG2-CD2 4.33Å |
| 337 | E | 96.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 28% | 0.276 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.5 | -41.5 | 173.7 | -71.1 | 172.6 | -164.8 | 0 | 0 | 112.6 | I333 H334 K341 | I333-E337 HydrophobicContact CG2-CG 4.41Å; I333-E337 WeakPolarHBondContact CG2-OE1 3.45Å; I333-E337 PolarHBondContact O-N 2.89Å; H334-E337 IonicContact ND1-OE1 2.72Å; H334-E337 IonicContact ND1-OE2 3.12Å; E337-K341 WeakPolarHBondContact O-CB 3.49Å; E337-K341 WeakPolarHBondContact O-CD 3.3Å; E337-K341 WeakPolarHBondContact O-CG 3.15Å; E337-K341 PolarHBondContact O-N 3.1Å; E337-K341 IonicContact OE2-NZ 2.7Å |
| 338 | C | 97.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | -179.9 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | L288 Q292 H334 V335 T336 K341 A342 | L288-C338 HydrophobicContact CD1-CB 3.77Å; Q292-C338 WeakPolarHBondContact CG-SG 3.49Å; H334-C338 VanDerWaalsContact O-CB 3.23Å; H334-C338 WeakPolarHBondContact O-CB 3.36Å; H334-C338 PolarHBondContact O-N 3.02Å; V335-C338 PolarHBondContact O-N 2.83Å; T336-C338 VanDerWaalsContact C-N 3.32Å; T336-C338 PolarHBondContact O-N 3.1Å; C338-K341 PolarHBondContact O-N 2.95Å; C338-A342 PolarHBondContact O-N 3.19Å |
| 339 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 176.6 | -73.6 | 165.5 | 0 | 0 | 0 | 110.8 | L279 A283 V291 L295 P323 L324 V335 T336 K341 A342 G343 A344 | L279-L339 HydrophobicContact CD1-CD2 4.46Å; A283-L339 HydrophobicContact CB-CD1 4.26Å; V291-L339 HydrophobicContact CG1-CD2 4.24Å; V291-L339 HydrophobicContact CG1-CG 4.35Å; L295-L339 HydrophobicContact CD1-CD2 4.11Å; L295-L339 HydrophobicContact CD2-CD2 4.34Å; P323-L339 HydrophobicContact CB-CD1 4.42Å; P323-L339 HydrophobicContact CB-CD2 4.5Å; L324-L339 HydrophobicContact CD1-CB 4.07Å; L324-L339 HydrophobicContact CD1-CD1 4.4Å; V335-L339 HydrophobicContact CG1-CD1 3.96Å; V335-L339 HydrophobicContact CG1-CG 4.48Å; V335-L339 WeakPolarHBondContact O-CG 3.45Å; V335-L339 PolarHBondContact O-N 2.96Å; T336-L339 PolarHBondContact O-N 3.47Å; L339-K341 PolarHBondContact O-N 3.01Å; L339-A342 CarbonylContact O-C 3.57Å; L339-A342 WeakPolarHBondContact O-CA 3.49Å; L339-A342 PolarHBondContact O-N 3.34Å; L339-A342 VanDerWaalsContact O-N 3.12Å; L339-G343 PolarHBondContact O-N 3.38Å; L339-A344 HydrophobicContact CB-CB 3.94Å; L339-A344 WeakPolarHBondContact O-CB 3.08Å; L339-A344 PolarHBondContact O-N 3.44Å |
| 340 | I | 97.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 43 Ų | 43 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.7 | -71.5 | 166.9 | 0 | 0 | 0 | 111.3 | L324 T336 A342 G343 V346 L383 A386 | L324-I340 HydrophobicContact CD1-CG1 4.2Å; T336-I340 HydrophobicContact CG2-CD1 3.88Å; T336-I340 WeakPolarHBondContact O-CB 3.35Å; T336-I340 WeakPolarHBondContact O-CD1 3.11Å; T336-I340 VanDerWaalsContact O-CG1 3.28Å; T336-I340 WeakPolarHBondContact O-CG1 3.47Å; T336-I340 PolarHBondContact O-N 2.91Å; I340-A342 PolarHBondContact O-N 2.86Å; I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 3.32Å; I340-V346 HydrophobicContact CG1-CG2 4.2Å; I340-L383 HydrophobicContact CD1-CD2 3.89Å; I340-A386 HydrophobicContact CD1-CB 4.22Å; I340-A386 HydrophobicContact CG1-CB 4.35Å; I340-A386 HydrophobicContact CG2-CB 3.5Å |
| 341 | K | 96.5 | Very high | 95.9 | Very high | 167 Ų | 167 | 46.3 Ų | 46.3 | 73% | 0.726 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.8 | -25.9 | 176.2 | -74.8 | 166.2 | -177 | 166.4 | 0 | 113.3 | E337 C338 L339 G343 | E337-K341 WeakPolarHBondContact O-CB 3.49Å; E337-K341 WeakPolarHBondContact O-CD 3.3Å; E337-K341 WeakPolarHBondContact O-CG 3.15Å; E337-K341 PolarHBondContact O-N 3.1Å; E337-K341 IonicContact OE2-NZ 2.7Å; C338-K341 PolarHBondContact O-N 2.95Å; L339-K341 PolarHBondContact O-N 3.01Å; K341-G343 PolarHBondContact O-N 2.91Å |
| 342 | A | 95.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L295 R313 C338 L339 I340 | L295-A342 HydrophobicContact CD1-CB 3.9Å; L295-A342 HydrophobicContact CD2-CB 4.13Å; L295-A342 HydrophobicContact CG-CB 4.46Å; R313-A342 WeakPolarHBondContact CD-O 3.49Å; R313-A342 PolarHBondContact NH1-O 3.19Å; C338-A342 PolarHBondContact O-N 3.19Å; L339-A342 CarbonylContact O-C 3.57Å; L339-A342 WeakPolarHBondContact O-CA 3.49Å; L339-A342 PolarHBondContact O-N 3.34Å; L339-A342 VanDerWaalsContact O-N 3.12Å; I340-A342 PolarHBondContact O-N 2.86Å |
| 343 | G | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 17.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R313 L339 I340 K341 D345 | R313-G343 VanDerWaalsContact NH1-C 3.27Å; R313-G343 PolarHBondContact NH1-O 3Å; R313-G343 PolarHBondContact NH2-O 2.96Å; L339-G343 PolarHBondContact O-N 3.38Å; I340-G343 WeakPolarHBondContact O-CA 3.4Å; I340-G343 PolarHBondContact O-N 3.32Å; K341-G343 PolarHBondContact O-N 2.91Å; G343-D345 PolarHBondContact O-N 2.84Å |
| 344 | A | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | trans | -51.1 | 136.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R313 D314 L324 L339 V346 | R313-A344 HydrophobicContact CG-CB 4.36Å; D314-A344 VanDerWaalsContact OD1-CA 3.3Å; D314-A344 WeakPolarHBondContact OD1-CA 3.44Å; D314-A344 WeakPolarHBondContact OD1-CB 3.42Å; L324-A344 HydrophobicContact CD2-CB 4.42Å; L339-A344 HydrophobicContact CB-CB 3.94Å; L339-A344 WeakPolarHBondContact O-CB 3.08Å; L339-A344 PolarHBondContact O-N 3.44Å; A344-V346 WeakPolarHBondContact O-CG2 3.37Å; A344-V346 PolarHBondContact O-N 3.02Å | ||
| 345 | D | 96.5 | Very high | 96.5 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | trans | -68.7 | 103.3 | -175.4 | -177.5 | 8.1 | 0 | 0 | 0 | 111.1 | D314 G343 M347 H348 | D314-D345 PolarHBondContact OD1-N 2.81Å; D314-D345 PolarHBondContact OD2-N 3.48Å; G343-D345 PolarHBondContact O-N 2.84Å; D345-M347 VanDerWaalsContact C-N 3.27Å; D345-M347 WeakPolarHBondContact OD1-CA 3.1Å; D345-M347 WeakPolarHBondContact OD1-CB 3.22Å; D345-M347 PolarHBondContact OD1-N 3.36Å; D345-H348 HydrophobicContact CB-CB 3.99Å; D345-H348 VanDerWaalsContact CG-N 3.33Å; D345-H348 WeakPolarHBondContact O-CB 3.26Å; D345-H348 PolarHBondContact O-N 3.14Å; D345-H348 PolarHBondContact OD1-N 2.83Å; D345-H348 VanDerWaalsContact OD1-N 3.14Å; D345-H348 PolarHBondContact OD2-N 3.28Å | ||
| 346 | V | 96.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.6 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | L324 I340 A344 V356 L383 A386 L388 | L324-V346 HydrophobicContact CD2-CG2 4.2Å; I340-V346 HydrophobicContact CG1-CG2 4.2Å; A344-V346 WeakPolarHBondContact O-CG2 3.37Å; A344-V346 PolarHBondContact O-N 3.02Å; V346-V356 HydrophobicContact CG1-CG2 4.22Å; V346-V356 WeakPolarHBondContact O-CG2 3.39Å; V346-L383 HydrophobicContact CG1-CD2 3.99Å; V346-A386 HydrophobicContact CG2-CB 3.92Å; V346-L388 HydrophobicContact CG1-CB 3.6Å; V346-L388 HydrophobicContact CG1-CD1 4.09Å; V346-L388 HydrophobicContact CG1-CG 4.37Å |
| 347 | M | 96.2 | Very high | 96.4 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -6.8 | -179.6 | -65 | -51.1 | -54.9 | 0 | 0 | 113.2 | D345 L388 N389 L392 | D345-M347 VanDerWaalsContact C-N 3.27Å; D345-M347 WeakPolarHBondContact OD1-CA 3.1Å; D345-M347 WeakPolarHBondContact OD1-CB 3.22Å; D345-M347 PolarHBondContact OD1-N 3.36Å; M347-L388 HydrophobicContact SD-CD1 4.21Å; M347-N389 HydrophobicContact CE-CB 3.84Å; M347-N389 HydrophobicContact SD-CB 4.3Å; M347-N389 PolarHBondContact SD-N 3.24Å; M347-L392 HydrophobicContact CE-CD1 3.28Å; M347-L392 HydrophobicContact CE-CG 4.16Å |
| 348 | H | 95.5 | Very high | 96.3 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | trans | -52.8 | 145.2 | 175.8 | -176.9 | 55.5 | 0 | 0 | 0 | 112.1 | N316 G320 F325 D345 | N316-H348 PolarHBondContact ND2-CE1 3.46Å; N316-H348 PolarHBondContact ND2-NE2 3.03Å; G320-H348 PolarHBondContact O-NE2 3.23Å; F325-H348 HydrophobicContact CE2-CB 4.47Å; F325-H348 AromaticContact CE2-CD2 3.74Å; F325-H348 WeakPolarHBondContact CZ-O 3.38Å; D345-H348 HydrophobicContact CB-CB 3.99Å; D345-H348 VanDerWaalsContact CG-N 3.33Å; D345-H348 WeakPolarHBondContact O-CB 3.26Å; D345-H348 PolarHBondContact O-N 3.14Å; D345-H348 PolarHBondContact OD1-N 2.83Å; D345-H348 VanDerWaalsContact OD1-N 3.14Å; D345-H348 PolarHBondContact OD2-N 3.28Å | ||
| 349 | T | 96.4 | Very high | 96 | Very high | 57 Ų | 57 | 38 Ų | 38 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -125.2 | 142.2 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | R354 T355 | T349-R354 WeakPolarHBondContact CA-O 3.3Å; T349-T355 HydrophobicContact CG2-CG2 3.68Å |
| 350 | D | 96.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -66.9 | 175.4 | 171.2 | 86.6 | -17.8 | 0 | 0 | 0 | 112 | D319 F325 K352 G353 R354 | D319-D350 WeakPolarHBondContact O-CB 3.17Å; F325-D350 HydrophobicContact CE1-CB 4.21Å; D350-K352 PolarHBondContact O-N 3.33Å; D350-K352 VanDerWaalsContact OD1-C 3.29Å; D350-K352 VanDerWaalsContact OD1-CA 3.25Å; D350-K352 WeakPolarHBondContact OD1-CA 3.44Å; D350-K352 VanDerWaalsContact OD1-CB 3.32Å; D350-K352 WeakPolarHBondContact OD1-CB 3.34Å; D350-K352 PolarHBondContact OD1-N 3.4Å; D350-G353 WeakPolarHBondContact O-CA 3.46Å; D350-G353 PolarHBondContact O-N 3.31Å; D350-G353 PolarHBondContact OD1-N 3.27Å; D350-R354 PolarHBondContact N-O 3.01Å; D350-R354 WeakPolarHBondContact OD1-CB 3.35Å; D350-R354 PolarHBondContact OD1-N 3.49Å; D350-R354 IonicContact OD1-NE 3.91Å; D350-R354 IonicContact OD2-CZ 2.82Å; D350-R354 IonicContact OD2-NE 3.08Å; D350-R354 PolarHBondContact OD2-NE 3.09Å; D350-R354 IonicContact OD2-NH2 2.72Å; D350-R354 PolarHBondContact OD2-NH2 3.16Å | ||
| 351 | F | 96.2 | Very high | 95.5 | Very high | 122 Ų | 122 | 36.5 Ų | 36.5 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7 | 179.5 | -61.1 | -31.9 | 0 | 0 | 0 | 114.4 | N318 D319 K395 | N318-F351 WeakPolarHBondContact O-CD2 3.21Å; N318-F351 WeakPolarHBondContact O-CE2 3.36Å; D319-F351 WeakPolarHBondContact O-CB 3.44Å; D319-F351 WeakPolarHBondContact O-CD2 3.28Å; D319-F351 WeakPolarHBondContact O-CG 3.23Å; D319-F351 PolarHBondContact O-N 3.2Å; F351-K395 WeakPolarHBondContact O-CD 3.41Å; F351-K395 VanDerWaalsContact O-CE 3.31Å; F351-K395 WeakPolarHBondContact O-CE 3.21Å; F351-K395 PolarHBondContact O-NZ 3.1Å |
| 352 | K | 94.9 | Very high | 95 | Very high | 99 Ų | 99 | 34 Ų | 34 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.1 | 171.1 | -62.4 | 160.1 | -169.8 | 135.6 | 0 | 111.9 | D319 D350 R354 K395 | D319-K352 IonicContact OD1-NZ 2.85Å; D319-K352 PolarHBondContact OD1-NZ 2.84Å; D350-K352 PolarHBondContact O-N 3.33Å; D350-K352 VanDerWaalsContact OD1-C 3.29Å; D350-K352 VanDerWaalsContact OD1-CA 3.25Å; D350-K352 WeakPolarHBondContact OD1-CA 3.44Å; D350-K352 VanDerWaalsContact OD1-CB 3.32Å; D350-K352 WeakPolarHBondContact OD1-CB 3.34Å; D350-K352 PolarHBondContact OD1-N 3.4Å; K352-R354 VanDerWaalsContact C-N 3.34Å; K352-R354 HydrophobicContact CB-CG 4.26Å; K352-K395 WeakPolarHBondContact O-CB 3.35Å; K352-K395 WeakPolarHBondContact O-CG 3.23Å; K352-K395 PolarHBondContact O-N 3.49Å |
| 353 | G | 95.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 33 Ų | 33 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | trans | 79.7 | 12.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D350 T355 N394 | D350-G353 WeakPolarHBondContact O-CA 3.46Å; D350-G353 PolarHBondContact O-N 3.31Å; D350-G353 PolarHBondContact OD1-N 3.27Å; G353-T355 PolarHBondContact O-N 2.8Å; G353-N394 WeakPolarHBondContact O-CA 3.35Å; G353-N394 WeakPolarHBondContact O-CB 3.34Å | ||
| 354 | R | 96.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | trans | -79.1 | 121.7 | -179.7 | -63.9 | -177.7 | -62.8 | 164.7 | 6.9 | 109.4 | F325 T349 D350 K352 H358 N394 | F325-R354 VanDerWaalsContact CE1-O 3.24Å; F325-R354 WeakPolarHBondContact CE1-O 3.28Å; F325-R354 VanDerWaalsContact CZ-O 3.27Å; F325-R354 WeakPolarHBondContact CZ-O 3.34Å; T349-R354 WeakPolarHBondContact CA-O 3.3Å; D350-R354 PolarHBondContact N-O 3.01Å; D350-R354 WeakPolarHBondContact OD1-CB 3.35Å; D350-R354 PolarHBondContact OD1-N 3.49Å; D350-R354 IonicContact OD1-NE 3.91Å; D350-R354 IonicContact OD2-CZ 2.82Å; D350-R354 IonicContact OD2-NE 3.08Å; D350-R354 PolarHBondContact OD2-NE 3.09Å; D350-R354 IonicContact OD2-NH2 2.72Å; D350-R354 PolarHBondContact OD2-NH2 3.16Å; K352-R354 VanDerWaalsContact C-N 3.34Å; K352-R354 HydrophobicContact CB-CG 4.26Å; R354-H358 HydrophobicContact CB-CB 3.85Å; R354-H358 HydrophobicContact CG-CB 4.2Å; R354-N394 HydrophobicContact CG-CB 4.16Å | ||
| 355 | T | 96.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 167.6 | 166 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | T349 G353 C357 H358 C359 L392 | T349-T355 HydrophobicContact CG2-CG2 3.68Å; G353-T355 PolarHBondContact O-N 2.8Å; T355-C357 PolarHBondContact O-N 2.89Å; T355-C357 VanDerWaalsContact O-N 3.08Å; T355-C357 WeakPolarHBondContact OG1-CB 3.47Å; T355-C357 PolarHBondContact OG1-N 2.79Å; T355-H358 PolarHBondContact N-ND1 2.88Å; T355-H358 WeakPolarHBondContact O-CB 3.43Å; T355-H358 PolarHBondContact O-N 2.83Å; T355-H358 PolarHBondContact OG1-ND1 3.31Å; T355-C359 PolarHBondContact O-N 3.43Å; T355-L392 HydrophobicContact CG2-CB 4.28Å; T355-L392 HydrophobicContact CG2-CD1 4.18Å |
| 356 | V | 95.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.4 | -26.7 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 113.8 | L324 F325 V346 H358 C359 L360 L383 L388 | L324-V356 HydrophobicContact CD2-CG1 4.03Å; L324-V356 HydrophobicContact CG-CG1 4.1Å; F325-V356 HydrophobicContact CD2-CG1 3.55Å; F325-V356 HydrophobicContact CE1-CG1 4.49Å; F325-V356 HydrophobicContact CE2-CG1 3.45Å; F325-V356 VanDerWaalsContact CE2-CG1 3.45Å; F325-V356 HydrophobicContact CG-CG1 4.1Å; F325-V356 HydrophobicContact CZ-CG1 3.96Å; V346-V356 HydrophobicContact CG1-CG2 4.22Å; V346-V356 WeakPolarHBondContact O-CG2 3.39Å; V356-H358 VanDerWaalsContact C-N 3.34Å; V356-H358 PolarHBondContact O-N 3Å; V356-C359 PolarHBondContact O-N 2.77Å; V356-L360 PolarHBondContact O-N 2.85Å; V356-L383 HydrophobicContact CG2-CD1 4.32Å; V356-L383 HydrophobicContact CG2-CD2 4.01Å; V356-L388 HydrophobicContact CG2-CD1 3.77Å; V356-L388 HydrophobicContact CG2-CD2 4.24Å |
| 357 | C | 95.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 173.6 | -163.8 | 0 | 0 | 0 | 0 | 112.5 | T355 L360 A361 L388 P390 A400 | T355-C357 PolarHBondContact O-N 2.89Å; T355-C357 VanDerWaalsContact O-N 3.08Å; T355-C357 WeakPolarHBondContact OG1-CB 3.47Å; T355-C357 PolarHBondContact OG1-N 2.79Å; C357-L360 WeakPolarHBondContact O-CB 3.24Å; C357-L360 PolarHBondContact O-N 3.43Å; C357-A361 PolarHBondContact O-N 3.45Å; C357-L388 HydrophobicContact CB-CD1 4.25Å; C357-L388 HydrophobicContact CB-CD2 3.92Å; C357-L388 HydrophobicContact CB-CG 4.47Å; C357-P390 VanDerWaalsContact SG-CA 3.55Å; C357-P390 WeakPolarHBondContact SG-CB 3.39Å; C357-A400 HydrophobicContact CB-CB 4.06Å; C357-A400 WeakPolarHBondContact SG-CB 3.36Å |
| 358 | H | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.9 | -64.9 | 82.6 | 0 | 0 | 0 | 110.8 | R354 T355 V356 L360 A361 R362 L392 L398 A400 E403 | R354-H358 HydrophobicContact CB-CB 3.85Å; R354-H358 HydrophobicContact CG-CB 4.2Å; T355-H358 PolarHBondContact N-ND1 2.88Å; T355-H358 WeakPolarHBondContact O-CB 3.43Å; T355-H358 PolarHBondContact O-N 2.83Å; T355-H358 PolarHBondContact OG1-ND1 3.31Å; V356-H358 VanDerWaalsContact C-N 3.34Å; V356-H358 PolarHBondContact O-N 3Å; H358-L360 VanDerWaalsContact C-N 3.31Å; H358-L360 PolarHBondContact O-N 2.73Å; H358-A361 VanDerWaalsContact O-CB 3.24Å; H358-A361 WeakPolarHBondContact O-CB 3.48Å; H358-A361 PolarHBondContact O-N 2.96Å; H358-A361 VanDerWaalsContact O-N 3.15Å; H358-R362 WeakPolarHBondContact O-CG 3.33Å; H358-R362 PolarHBondContact O-N 2.75Å; H358-L392 PolarHBondContact CE1-O 3.13Å; H358-L398 PolarHBondContact NE2-O 3.18Å; H358-A400 PolarHBondContact NE2-N 3.36Å; H358-E403 IonicContact CD2-OE2 2.78Å |
| 359 | C | 92 | Very high | 82.7 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.081 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 175.2 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | F325 T355 V356 A361 R362 | F325-C359 HydrophobicContact CD1-CB 4.47Å; F325-C359 WeakPolarHBondContact CD1-SG 3.48Å; T355-C359 PolarHBondContact O-N 3.43Å; V356-C359 PolarHBondContact O-N 2.77Å; C359-A361 VanDerWaalsContact C-N 3.34Å; C359-R362 WeakPolarHBondContact O-CB 3.46Å; C359-R362 PolarHBondContact O-N 3.39Å |
| 360 | L | 92.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 172.8 | -166 | 70.1 | 0 | 0 | 0 | 111.9 | V328 V356 C357 H358 R362 L363 Q379 L380 L383 F412 | V328-L360 HydrophobicContact CG1-CB 4.06Å; V328-L360 HydrophobicContact CG1-CD1 3.81Å; V356-L360 PolarHBondContact O-N 2.85Å; C357-L360 WeakPolarHBondContact O-CB 3.24Å; C357-L360 PolarHBondContact O-N 3.43Å; H358-L360 VanDerWaalsContact C-N 3.31Å; H358-L360 PolarHBondContact O-N 2.73Å; L360-R362 PolarHBondContact O-N 3.07Å; L360-L363 HydrophobicContact CD1-CD1 3.6Å; L360-L363 HydrophobicContact CD1-CG 4.46Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 PolarHBondContact O-N 2.93Å; L360-Q379 HydrophobicContact CD1-CB 3.73Å; L360-L380 HydrophobicContact CD2-CB 3.78Å; L360-L380 HydrophobicContact CD2-CD1 4.06Å; L360-L380 HydrophobicContact CD2-CG 4.47Å; L360-L383 HydrophobicContact CD2-CD1 4.41Å; L360-F412 HydrophobicContact CB-CE2 4.43Å; L360-F412 HydrophobicContact CD2-CD2 4.28Å; L360-F412 HydrophobicContact CD2-CE2 3.71Å; L360-F412 HydrophobicContact CD2-CZ 4.49Å; L360-F412 HydrophobicContact CG-CD2 4.38Å; L360-F412 HydrophobicContact CG-CE2 4.07Å |
| 361 | A | 91.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.2 | -31.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C357 H358 C359 E403 A404 N409 F412 | C357-A361 PolarHBondContact O-N 3.45Å; H358-A361 VanDerWaalsContact O-CB 3.24Å; H358-A361 WeakPolarHBondContact O-CB 3.48Å; H358-A361 PolarHBondContact O-N 2.96Å; H358-A361 VanDerWaalsContact O-N 3.15Å; C359-A361 VanDerWaalsContact C-N 3.34Å; A361-E403 HydrophobicContact CB-CB 4.47Å; A361-A404 HydrophobicContact CB-CB 4.12Å; A361-N409 PolarHBondContact O-ND2 3.2Å; A361-F412 VanDerWaalsContact CA-CD1 3.49Å; A361-F412 HydrophobicContact CB-CD1 3.68Å; A361-F412 HydrophobicContact CB-CE1 3.41Å; A361-F412 VanDerWaalsContact CB-CE1 3.41Å; A361-F412 HydrophobicContact CB-CZ 4.36Å |
| 362 | R | 86.8 | Confident | 78.6 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.1 | -179.3 | -62 | 179.2 | 67.1 | 71.7 | 8.3 | 115 | H358 C359 L360 N364 E403 L407 | H358-R362 WeakPolarHBondContact O-CG 3.33Å; H358-R362 PolarHBondContact O-N 2.75Å; C359-R362 WeakPolarHBondContact O-CB 3.46Å; C359-R362 PolarHBondContact O-N 3.39Å; L360-R362 PolarHBondContact O-N 3.07Å; R362-N364 PolarHBondContact O-N 3.06Å; R362-E403 WeakPolarHBondContact CD-OE1 3.36Å; R362-E403 HydrophobicContact CG-CG 4.11Å; R362-E403 WeakPolarHBondContact CG-OE1 3.41Å; R362-E403 IonicContact CZ-OE1 3.23Å; R362-E403 IonicContact NE-OE1 3.13Å; R362-E403 IonicContact NH1-OE1 4Å; R362-E403 PolarHBondContact NH1-OE1 3.41Å; R362-L407 HydrophobicContact CB-CD1 4.11Å; R362-L407 HydrophobicContact CG-CD1 3.78Å |
| 363 | L | 82.1 | Confident | 78.1 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | trans | -57.7 | 137.5 | 174.3 | -73.8 | -176.1 | 0 | 0 | 0 | 109.9 | A329 L360 F372 I376 N409 | A329-L363 WeakPolarHBondContact O-CD2 3.25Å; L360-L363 HydrophobicContact CD1-CD1 3.6Å; L360-L363 HydrophobicContact CD1-CG 4.46Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 PolarHBondContact O-N 2.93Å; L363-F372 HydrophobicContact CB-CE2 3.96Å; L363-F372 HydrophobicContact CB-CZ 3.89Å; L363-F372 WeakPolarHBondContact O-CZ 3.23Å; L363-I376 HydrophobicContact CD1-CG1 4.41Å; L363-N409 PolarHBondContact O-ND2 3.02Å | ||
| 364 | N | 70.2 | Confident | 77.7 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | trans | -116.6 | 145.9 | 176.5 | -85.2 | -42.2 | 0 | 0 | 0 | 110 | R362 L366 F372 | R362-N364 PolarHBondContact O-N 3.06Å; N364-L366 HydrophobicContact CB-CD1 4.45Å; N364-L366 PolarHBondContact O-N 3.5Å; N364-F372 VanDerWaalsContact C-CZ 3.45Å; N364-F372 WeakPolarHBondContact O-CE2 3.49Å | ||
| 365 | S | 60.6 | Low | 77.3 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 13.2 | 180 | -174.6 | 0 | 0 | 0 | 0 | 115.5 | S367 | S365-S367 VanDerWaalsContact C-N 3.31Š|
| 366 | L | 51.6 | Low | 77.1 | Confident | 156 Ų | 156 | 59.3 Ų | 59.3 | 82% | 0.817 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.7 | 176.1 | -76 | 157.1 | 0 | 0 | 0 | 112.9 | N364 N368 | N364-L366 HydrophobicContact CB-CD1 4.45Å; N364-L366 PolarHBondContact O-N 3.5Å; L366-N368 PolarHBondContact O-N 3.44Å; L366-N368 VanDerWaalsContact O-N 3.07Å |
| 367 | S | 50.3 | Low | 76.8 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -74.6 | 94 | 178.7 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | S365 G369 | S365-S367 VanDerWaalsContact C-N 3.31Å; S367-G369 PolarHBondContact O-N 2.89Å; S367-G369 VanDerWaalsContact O-N 3.14Å |
| 368 | N | 49.6 | Very low | 76.7 | Confident | 156 Ų | 156 | 67.5 Ų | 67.5 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.9 | 60.7 | 149.6 | -65 | -12 | 0 | 0 | 0 | 118.1 | L366 I370 | L366-N368 PolarHBondContact O-N 3.44Å; L366-N368 VanDerWaalsContact O-N 3.07Å; N368-I370 PolarHBondContact O-N 3.32Å |
| 369 | G | 50.1 | Low | 76.5 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 93% | 0.928 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -6.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | S367 | S367-G369 PolarHBondContact O-N 2.89Å; S367-G369 VanDerWaalsContact O-N 3.14Å |
| 370 | I | 58.5 | Low | 76.7 | Confident | 113 Ų | 113 | 67.2 Ų | 67.2 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -69.3 | 150 | 171.5 | -63.5 | 170.4 | 0 | 0 | 0 | 108.6 | N368 F372 L375 | N368-I370 PolarHBondContact O-N 3.32Å; I370-F372 VanDerWaalsContact C-N 3.33Å; I370-F372 PolarHBondContact O-N 3.06Å; I370-L375 HydrophobicContact CG2-CB 4.45Å |
| 371 | K | 68.6 | Low | 76.7 | Confident | 175 Ų | 175 | 70 Ų | 70 | 76% | 0.761 | 39% | 0.39 | S | S | * | . | trans | -63.6 | 95.4 | 168.5 | -69.3 | -178.1 | -179 | 177.4 | 0 | 109 | D373 S374 L375 | K371-D373 PolarHBondContact O-N 3.28Å; K371-S374 WeakPolarHBondContact O-CA 3.43Å; K371-S374 WeakPolarHBondContact O-CB 3.2Å; K371-S374 PolarHBondContact O-N 3.22Å; K371-L375 PolarHBondContact O-N 3.38Å | ||
| 372 | F | 76.7 | Confident | 76.8 | Confident | 18 Ų | 18 | 71 Ų | 71 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -50 | -41.6 | -174.5 | -176.3 | -111.3 | 0 | 0 | 0 | 113.6 | L363 N364 I370 S374 L375 I376 | L363-F372 HydrophobicContact CB-CE2 3.96Å; L363-F372 HydrophobicContact CB-CZ 3.89Å; L363-F372 WeakPolarHBondContact O-CZ 3.23Å; N364-F372 VanDerWaalsContact C-CZ 3.45Å; N364-F372 WeakPolarHBondContact O-CE2 3.49Å; I370-F372 VanDerWaalsContact C-N 3.33Å; I370-F372 PolarHBondContact O-N 3.06Å; F372-S374 VanDerWaalsContact C-N 3.26Å; F372-S374 PolarHBondContact O-N 3.12Å; F372-L375 WeakPolarHBondContact O-CB 3.41Å; F372-L375 PolarHBondContact O-N 3.04Å; F372-I376 HydrophobicContact CD1-CD1 3.78Å; F372-I376 HydrophobicContact CE1-CD1 3.25Å; F372-I376 HydrophobicContact CE1-CG1 4.34Å; F372-I376 HydrophobicContact CE2-CD1 4.16Å; F372-I376 HydrophobicContact CE2-CG1 4.49Å; F372-I376 HydrophobicContact CG-CD1 4.43Å; F372-I376 HydrophobicContact CZ-CD1 3.45Å; F372-I376 VanDerWaalsContact CZ-CD1 3.45Å; F372-I376 HydrophobicContact CZ-CG1 4.22Å; F372-I376 PolarHBondContact O-N 3.05Å |
| 373 | D | 83.7 | Confident | 77.3 | Confident | 91 Ų | 91 | 65.5 Ų | 65.5 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.5 | -37.2 | 174.6 | -59 | -6.1 | 0 | 0 | 0 | 112.9 | K371 K377 S411 | K371-D373 PolarHBondContact O-N 3.28Å; D373-K377 WeakPolarHBondContact O-CB 3.38Å; D373-K377 PolarHBondContact O-N 3.47Å; D373-S411 WeakPolarHBondContact OD1-CB 3.44Å; D373-S411 PolarHBondContact OD1-OG 2.89Å |
| 374 | S | 87.2 | Confident | 77.9 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 177.9 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | K371 F372 K377 T378 | K371-S374 WeakPolarHBondContact O-CA 3.43Å; K371-S374 WeakPolarHBondContact O-CB 3.2Å; K371-S374 PolarHBondContact O-N 3.22Å; F372-S374 VanDerWaalsContact C-N 3.26Å; F372-S374 PolarHBondContact O-N 3.12Å; S374-K377 PolarHBondContact O-N 2.98Å; S374-T378 WeakPolarHBondContact O-CG2 3.46Å; S374-T378 PolarHBondContact O-N 3.18Å; S374-T378 PolarHBondContact O-OG1 2.97Å |
| 375 | L | 89 | Confident | 79 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.4 | -52.1 | 177.2 | 170.1 | 62.3 | 0 | 0 | 0 | 110.6 | G331 I333 I370 K371 F372 K377 T378 Q379 | G331-L375 WeakPolarHBondContact O-CD1 3.29Å; I333-L375 HydrophobicContact CD1-CD1 3.67Å; I333-L375 HydrophobicContact CG1-CD1 3.47Å; I333-L375 VanDerWaalsContact CG1-CD1 3.47Å; I370-L375 HydrophobicContact CG2-CB 4.45Å; K371-L375 PolarHBondContact O-N 3.38Å; F372-L375 WeakPolarHBondContact O-CB 3.41Å; F372-L375 PolarHBondContact O-N 3.04Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.25Å; L375-T378 WeakPolarHBondContact CA-OG1 3.23Å; L375-T378 PolarHBondContact O-N 3.09Å; L375-T378 PolarHBondContact O-OG1 2.92Å; L375-Q379 HydrophobicContact CD1-CG 4.1Å; L375-Q379 PolarHBondContact O-N 2.98Å |
| 376 | I | 90.7 | Very high | 80.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.8 | -47 | 176.8 | -72.1 | 170.6 | 0 | 0 | 0 | 110.6 | L363 F372 Q379 L380 F412 Q415 | L363-I376 HydrophobicContact CD1-CG1 4.41Å; F372-I376 HydrophobicContact CD1-CD1 3.78Å; F372-I376 HydrophobicContact CE1-CD1 3.25Å; F372-I376 HydrophobicContact CE1-CG1 4.34Å; F372-I376 HydrophobicContact CE2-CD1 4.16Å; F372-I376 HydrophobicContact CE2-CG1 4.49Å; F372-I376 HydrophobicContact CG-CD1 4.43Å; F372-I376 HydrophobicContact CZ-CD1 3.45Å; F372-I376 VanDerWaalsContact CZ-CD1 3.45Å; F372-I376 HydrophobicContact CZ-CG1 4.22Å; F372-I376 PolarHBondContact O-N 3.05Å; I376-Q379 PolarHBondContact O-N 3.31Å; I376-L380 VanDerWaalsContact O-CB 3.3Å; I376-L380 WeakPolarHBondContact O-CB 3.06Å; I376-L380 PolarHBondContact O-N 2.97Å; I376-F412 HydrophobicContact CD1-CB 4.24Å; I376-F412 HydrophobicContact CG2-CB 4.1Å; I376-F412 HydrophobicContact CG2-CD2 3.64Å; I376-F412 HydrophobicContact CG2-CG 4.33Å; I376-Q415 HydrophobicContact CG2-CG 4.04Å |
| 377 | K | 91.6 | Very high | 82.7 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.3 | -51 | 178.2 | -176.7 | 175.2 | -178.1 | -178.5 | 0 | 111.3 | D373 S374 L375 Q379 L380 T381 Q415 | D373-K377 WeakPolarHBondContact O-CB 3.38Å; D373-K377 PolarHBondContact O-N 3.47Å; S374-K377 PolarHBondContact O-N 2.98Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.25Å; K377-Q379 PolarHBondContact O-N 2.9Å; K377-L380 PolarHBondContact O-N 3.31Å; K377-T381 WeakPolarHBondContact O-CB 3.43Å; K377-T381 PolarHBondContact O-N 3.07Å; K377-T381 PolarHBondContact O-OG1 2.95Å; K377-T381 VanDerWaalsContact O-OG1 3.11Å; K377-Q415 HydrophobicContact CB-CG 4.27Å |
| 378 | T | 91.7 | Very high | 84.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | -179.4 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | I333 S374 L375 C382 | I333-T378 WeakPolarHBondContact CD1-OG1 3.4Å; S374-T378 WeakPolarHBondContact O-CG2 3.46Å; S374-T378 PolarHBondContact O-N 3.18Å; S374-T378 PolarHBondContact O-OG1 2.97Å; L375-T378 WeakPolarHBondContact CA-OG1 3.23Å; L375-T378 PolarHBondContact O-N 3.09Å; L375-T378 PolarHBondContact O-OG1 2.92Å; T378-C382 VanDerWaalsContact O-CB 3.23Å; T378-C382 WeakPolarHBondContact O-CB 3.25Å; T378-C382 PolarHBondContact O-N 2.83Å |
| 379 | Q | 92.9 | Very high | 87 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | 178.3 | -72.9 | -176.1 | -53.1 | 0 | 0 | 111.9 | V328 I333 L360 L375 I376 K377 C382 L383 | V328-Q379 PolarHBondContact O-NE2 3.43Å; I333-Q379 HydrophobicContact CG1-CG 4.27Å; L360-Q379 HydrophobicContact CD1-CB 3.73Å; L375-Q379 HydrophobicContact CD1-CG 4.1Å; L375-Q379 PolarHBondContact O-N 2.98Å; I376-Q379 PolarHBondContact O-N 3.31Å; K377-Q379 PolarHBondContact O-N 2.9Å; Q379-C382 PolarHBondContact O-N 3.39Å; Q379-L383 WeakPolarHBondContact O-CB 3.35Å; Q379-L383 WeakPolarHBondContact O-CD1 3.38Å; Q379-L383 WeakPolarHBondContact O-CG 3.34Å; Q379-L383 PolarHBondContact O-N 2.97Å |
| 380 | L | 94.5 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.9 | -175.9 | 58.5 | 0 | 0 | 0 | 111.5 | L360 I376 K377 L383 V384 F412 Q415 L416 L419 | L360-L380 HydrophobicContact CD2-CB 3.78Å; L360-L380 HydrophobicContact CD2-CD1 4.06Å; L360-L380 HydrophobicContact CD2-CG 4.47Å; I376-L380 VanDerWaalsContact O-CB 3.3Å; I376-L380 WeakPolarHBondContact O-CB 3.06Å; I376-L380 PolarHBondContact O-N 2.97Å; K377-L380 PolarHBondContact O-N 3.31Å; L380-L383 PolarHBondContact O-N 3.06Å; L380-V384 HydrophobicContact CD1-CG2 4Å; L380-V384 HydrophobicContact CG-CG2 4.38Å; L380-V384 WeakPolarHBondContact O-CB 3.46Å; L380-V384 VanDerWaalsContact O-CG2 3.28Å; L380-V384 WeakPolarHBondContact O-CG2 3.49Å; L380-V384 PolarHBondContact O-N 2.9Å; L380-F412 HydrophobicContact CD1-CE2 4.17Å; L380-F412 HydrophobicContact CD2-CD2 4.46Å; L380-F412 HydrophobicContact CD2-CE2 4.03Å; L380-Q415 HydrophobicContact CD2-CB 3.65Å; L380-L416 HydrophobicContact CD2-CD2 4.33Å; L380-L419 HydrophobicContact CD1-CD1 4.2Å; L380-L419 HydrophobicContact CD2-CD1 3.97Å; L380-L419 HydrophobicContact CG-CD1 4.21Å |
| 381 | T | 93.7 | Very high | 90.8 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | K377 L383 V384 E385 | K377-T381 WeakPolarHBondContact O-CB 3.43Å; K377-T381 PolarHBondContact O-N 3.07Å; K377-T381 PolarHBondContact O-OG1 2.95Å; K377-T381 VanDerWaalsContact O-OG1 3.11Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 3.06Å; T381-V384 PolarHBondContact O-N 3.22Å; T381-E385 HydrophobicContact CG2-CG 4.31Å; T381-E385 WeakPolarHBondContact CG2-OE1 3.43Å; T381-E385 WeakPolarHBondContact O-CB 3.34Å; T381-E385 VanDerWaalsContact O-CG 3.31Å; T381-E385 WeakPolarHBondContact O-CG 3.49Å; T381-E385 PolarHBondContact O-N 3.01Å |
| 382 | C | 94 | Very high | 92.1 | Very high | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 179 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | T378 Q379 A386 | T378-C382 VanDerWaalsContact O-CB 3.23Å; T378-C382 WeakPolarHBondContact O-CB 3.25Å; T378-C382 PolarHBondContact O-N 2.83Å; Q379-C382 PolarHBondContact O-N 3.39Å; C382-A386 WeakPolarHBondContact O-CB 3.4Å; C382-A386 PolarHBondContact O-N 2.69Å; C382-A386 VanDerWaalsContact O-N 3.13Å |
| 383 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 177.4 | -70.3 | 164.9 | 0 | 0 | 0 | 112.5 | V328 T336 I340 V346 V356 L360 Q379 L380 T381 A386 G387 L388 | V328-L383 HydrophobicContact CG2-CD1 4.15Å; V328-L383 HydrophobicContact CG2-CD2 4.47Å; T336-L383 HydrophobicContact CG2-CD2 4.33Å; I340-L383 HydrophobicContact CD1-CD2 3.89Å; V346-L383 HydrophobicContact CG1-CD2 3.99Å; V356-L383 HydrophobicContact CG2-CD1 4.32Å; V356-L383 HydrophobicContact CG2-CD2 4.01Å; L360-L383 HydrophobicContact CD2-CD1 4.41Å; Q379-L383 WeakPolarHBondContact O-CB 3.35Å; Q379-L383 WeakPolarHBondContact O-CD1 3.38Å; Q379-L383 WeakPolarHBondContact O-CG 3.34Å; Q379-L383 PolarHBondContact O-N 2.97Å; L380-L383 PolarHBondContact O-N 3.06Å; T381-L383 VanDerWaalsContact C-N 3.32Å; T381-L383 PolarHBondContact O-N 3.06Å; L383-A386 CarbonylContact O-C 3.6Å; L383-A386 WeakPolarHBondContact O-CB 3.39Å; L383-A386 PolarHBondContact O-N 3.48Å; L383-G387 PolarHBondContact O-N 3.25Å; L383-L388 HydrophobicContact CB-CB 4.03Å; L383-L388 HydrophobicContact CB-CD2 3.62Å; L383-L388 HydrophobicContact CB-CG 4.46Å; L383-L388 HydrophobicContact CD1-CD2 4.25Å; L383-L388 HydrophobicContact CG-CD2 4.47Å; L383-L388 WeakPolarHBondContact O-CB 3.43Å; L383-L388 PolarHBondContact O-N 2.79Å |
| 384 | V | 95.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 178 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L380 T381 A386 G387 L419 | L380-V384 HydrophobicContact CD1-CG2 4Å; L380-V384 HydrophobicContact CG-CG2 4.38Å; L380-V384 WeakPolarHBondContact O-CB 3.46Å; L380-V384 VanDerWaalsContact O-CG2 3.28Å; L380-V384 WeakPolarHBondContact O-CG2 3.49Å; L380-V384 PolarHBondContact O-N 2.9Å; T381-V384 PolarHBondContact O-N 3.22Å; V384-A386 PolarHBondContact O-N 3.21Å; V384-G387 PolarHBondContact O-N 2.9Å; V384-L419 HydrophobicContact CG2-CD1 4.04Å |
| 385 | E | 94 | Very high | 94 | Very high | 155 Ų | 155 | 47.2 Ų | 47.2 | 72% | 0.724 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -31.7 | 171 | -72.9 | 170.1 | 175.1 | 0 | 0 | 112 | T381 G387 | T381-E385 HydrophobicContact CG2-CG 4.31Å; T381-E385 WeakPolarHBondContact CG2-OE1 3.43Å; T381-E385 WeakPolarHBondContact O-CB 3.34Å; T381-E385 VanDerWaalsContact O-CG 3.31Å; T381-E385 WeakPolarHBondContact O-CG 3.49Å; T381-E385 PolarHBondContact O-N 3.01Å; E385-G387 PolarHBondContact O-N 2.79Å |
| 386 | A | 95 | Very high | 94.2 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 8.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | I340 V346 C382 L383 V384 | I340-A386 HydrophobicContact CD1-CB 4.22Å; I340-A386 HydrophobicContact CG1-CB 4.35Å; I340-A386 HydrophobicContact CG2-CB 3.5Å; V346-A386 HydrophobicContact CG2-CB 3.92Å; C382-A386 WeakPolarHBondContact O-CB 3.4Å; C382-A386 PolarHBondContact O-N 2.69Å; C382-A386 VanDerWaalsContact O-N 3.13Å; L383-A386 CarbonylContact O-C 3.6Å; L383-A386 WeakPolarHBondContact O-CB 3.39Å; L383-A386 PolarHBondContact O-N 3.48Å; V384-A386 PolarHBondContact O-N 3.21Å |
| 387 | G | 93.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 51 Ų | 51 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 11.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L383 V384 E385 N389 | L383-G387 PolarHBondContact O-N 3.25Å; V384-G387 PolarHBondContact O-N 2.9Å; E385-G387 PolarHBondContact O-N 2.79Å; G387-N389 PolarHBondContact O-N 2.82Å |
| 388 | L | 95.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -57.1 | 122.4 | 173.2 | 178.5 | 62.5 | 0 | 0 | 0 | 111 | V346 M347 V356 C357 L383 P390 | V346-L388 HydrophobicContact CG1-CB 3.6Å; V346-L388 HydrophobicContact CG1-CD1 4.09Å; V346-L388 HydrophobicContact CG1-CG 4.37Å; M347-L388 HydrophobicContact SD-CD1 4.21Å; V356-L388 HydrophobicContact CG2-CD1 3.77Å; V356-L388 HydrophobicContact CG2-CD2 4.24Å; C357-L388 HydrophobicContact CB-CD1 4.25Å; C357-L388 HydrophobicContact CB-CD2 3.92Å; C357-L388 HydrophobicContact CB-CG 4.47Å; L383-L388 HydrophobicContact CB-CB 4.03Å; L383-L388 HydrophobicContact CB-CD2 3.62Å; L383-L388 HydrophobicContact CB-CG 4.46Å; L383-L388 HydrophobicContact CD1-CD2 4.25Å; L383-L388 HydrophobicContact CG-CD2 4.47Å; L383-L388 WeakPolarHBondContact O-CB 3.43Å; L383-L388 PolarHBondContact O-N 2.79Å; L388-P390 VanDerWaalsContact O-CD 3.24Å; L388-P390 WeakPolarHBondContact O-CD 3.47Å | ||
| 389 | N | 94.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 26% | 0.257 | S | S | . | . | trans | -85.1 | 106.7 | 160.2 | -176.9 | -8.2 | 0 | 0 | 0 | 109.5 | M347 G387 W391 L392 | M347-N389 HydrophobicContact CE-CB 3.84Å; M347-N389 HydrophobicContact SD-CB 4.3Å; M347-N389 PolarHBondContact SD-N 3.24Å; G387-N389 PolarHBondContact O-N 2.82Å; N389-W391 PolarHBondContact O-N 3.11Å; N389-W391 WeakPolarHBondContact OD1-CB 3.41Å; N389-W391 PolarHBondContact OD1-N 3.48Å; N389-L392 HydrophobicContact CB-CG 4.24Å | ||
| 390 | P | 94.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.5 | -175.8 | 33.5 | -37.7 | 0 | 0 | 0 | 113.3 | C357 L388 L416 L419 | C357-P390 VanDerWaalsContact SG-CA 3.55Å; C357-P390 WeakPolarHBondContact SG-CB 3.39Å; L388-P390 VanDerWaalsContact O-CD 3.24Å; L388-P390 WeakPolarHBondContact O-CD 3.47Å; P390-L416 HydrophobicContact CB-CD2 4.18Å; P390-L419 HydrophobicContact CB-CD1 4.36Å; P390-L419 HydrophobicContact CG-CD1 3.88Å |
| 391 | W | 95 | Very high | 94.9 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 16% | 0.163 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -6.1 | -169.1 | -52.3 | 131.5 | 0 | 0 | 0 | 114.5 | N389 T399 L416 L419 P420 F422 V425 | N389-W391 PolarHBondContact O-N 3.11Å; N389-W391 WeakPolarHBondContact OD1-CB 3.41Å; N389-W391 PolarHBondContact OD1-N 3.48Å; W391-T399 WeakPolarHBondContact O-CG2 3.45Å; W391-L416 HydrophobicContact CH2-CB 4.43Å; W391-L416 HydrophobicContact CH2-CD2 4.44Å; W391-L416 HydrophobicContact CZ3-CB 4.46Å; W391-L416 HydrophobicContact CZ3-CD2 4.19Å; W391-L419 HydrophobicContact CH2-CB 4.16Å; W391-L419 HydrophobicContact CZ2-CB 3.75Å; W391-P420 WeakPolarHBondContact CZ2-O 3.31Å; W391-P420 PolarHBondContact NE1-O 2.77Å; W391-F422 HydrophobicContact CH2-CB 3.87Å; W391-F422 AromaticContact CH2-CD2 3.89Å; W391-F422 HydrophobicContact CH2-CD2 3.89Å; W391-F422 HydrophobicContact CH2-CG 4.38Å; W391-F422 HydrophobicContact CZ2-CB 4.36Å; W391-F422 HydrophobicContact CZ3-CD2 4.16Å; W391-V425 HydrophobicContact CB-CG2 3.76Å; W391-V425 HydrophobicContact CD2-CB 4.27Å; W391-V425 HydrophobicContact CD2-CG2 3.67Å; W391-V425 HydrophobicContact CE3-CB 3.82Å; W391-V425 HydrophobicContact CE3-CG1 3.77Å; W391-V425 HydrophobicContact CE3-CG2 3.75Å; W391-V425 HydrophobicContact CG-CG2 3.72Å; W391-V425 HydrophobicContact CZ3-CB 4.28Å; W391-V425 HydrophobicContact CZ3-CG1 4.36Å |
| 392 | L | 95 | Very high | 95 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | trans | -62.2 | 136.9 | -179.7 | -65.7 | -170.3 | 0 | 0 | 0 | 111.7 | M347 T355 H358 N389 | M347-L392 HydrophobicContact CE-CD1 3.28Å; M347-L392 HydrophobicContact CE-CG 4.16Å; T355-L392 HydrophobicContact CG2-CB 4.28Å; T355-L392 HydrophobicContact CG2-CD1 4.18Å; H358-L392 PolarHBondContact CE1-O 3.13Å; N389-L392 HydrophobicContact CB-CG 4.24Å | ||
| 393 | P | 95.8 | Very high | 95 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -82.1 | 153.8 | 170.1 | 33.6 | -33.7 | 0 | 0 | 0 | 111.7 | G397 L398 T399 | P393-G397 WeakPolarHBondContact CB-O 3.3Å; P393-L398 CarbonylContact C-O 3.52Å; P393-L398 WeakPolarHBondContact CA-O 3.49Å; P393-T399 HydrophobicContact CB-CG2 4.15Å |
| 394 | N | 95.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | trans | -82.3 | -173.7 | 170.4 | 76.3 | 8.5 | 0 | 0 | 0 | 112.3 | G353 R354 T396 G397 L398 | G353-N394 WeakPolarHBondContact O-CA 3.35Å; G353-N394 WeakPolarHBondContact O-CB 3.34Å; R354-N394 HydrophobicContact CG-CB 4.16Å; N394-T396 PolarHBondContact O-N 3.46Å; N394-T396 VanDerWaalsContact O-N 3.09Å; N394-T396 WeakPolarHBondContact OD1-CA 3.25Å; N394-T396 PolarHBondContact OD1-N 3.02Å; N394-T396 PolarHBondContact OD1-OG1 3.01Å; N394-G397 PolarHBondContact O-N 3.19Å; N394-G397 PolarHBondContact OD1-N 2.93Å; N394-L398 PolarHBondContact N-O 2.92Å; N394-L398 PolarHBondContact OD1-N 3.4Å; N394-L398 PolarHBondContact OD1-O 3.4Å | ||
| 395 | K | 95.2 | Very high | 94.8 | Very high | 148 Ų | 148 | 39 Ų | 39 | 64% | 0.643 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -15.5 | -179 | -71.1 | -178.3 | -179 | 178 | 0 | 115.1 | F351 K352 | F351-K395 WeakPolarHBondContact O-CD 3.41Å; F351-K395 VanDerWaalsContact O-CE 3.31Å; F351-K395 WeakPolarHBondContact O-CE 3.21Å; F351-K395 PolarHBondContact O-NZ 3.1Å; K352-K395 WeakPolarHBondContact O-CB 3.35Å; K352-K395 WeakPolarHBondContact O-CG 3.23Å; K352-K395 PolarHBondContact O-N 3.49Å |
| 396 | T | 94.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 16.4 | 174.6 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | N394 L398 E430 S431 | N394-T396 PolarHBondContact O-N 3.46Å; N394-T396 VanDerWaalsContact O-N 3.09Å; N394-T396 WeakPolarHBondContact OD1-CA 3.25Å; N394-T396 PolarHBondContact OD1-N 3.02Å; N394-T396 PolarHBondContact OD1-OG1 3.01Å; T396-L398 PolarHBondContact O-N 3.48Å; T396-L398 WeakPolarHBondContact OG1-CD1 3.35Å; T396-E430 WeakPolarHBondContact O-CB 3.4Å; T396-S431 WeakPolarHBondContact O-CB 3.15Å; T396-S431 PolarHBondContact O-N 2.98Å; T396-S431 PolarHBondContact O-OG 2.77Å; T396-S431 VanDerWaalsContact O-OG 3.09Å |
| 397 | G | 94.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 75.3 | -4.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | P393 N394 T399 E430 S431 | P393-G397 WeakPolarHBondContact CB-O 3.3Å; N394-G397 PolarHBondContact O-N 3.19Å; N394-G397 PolarHBondContact OD1-N 2.93Å; G397-T399 PolarHBondContact O-N 2.86Å; G397-E430 WeakPolarHBondContact O-CA 3.21Å; G397-S431 PolarHBondContact N-OG 3.33Å |
| 398 | L | 95.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | trans | -73 | 126 | -180 | -66.8 | 166.2 | 0 | 0 | 0 | 109.2 | H358 P393 N394 T396 H402 E430 L439 | H358-L398 PolarHBondContact NE2-O 3.18Å; P393-L398 CarbonylContact C-O 3.52Å; P393-L398 WeakPolarHBondContact CA-O 3.49Å; N394-L398 PolarHBondContact N-O 2.92Å; N394-L398 PolarHBondContact OD1-N 3.4Å; N394-L398 PolarHBondContact OD1-O 3.4Å; T396-L398 PolarHBondContact O-N 3.48Å; T396-L398 WeakPolarHBondContact OG1-CD1 3.35Å; L398-H402 HydrophobicContact CB-CB 4.22Å; L398-H402 HydrophobicContact CD2-CB 3.54Å; L398-E430 HydrophobicContact CD2-CB 3.72Å; L398-E430 HydrophobicContact CD2-CG 3.72Å; L398-E430 HydrophobicContact CG-CB 4Å; L398-E430 HydrophobicContact CG-CG 4.39Å; L398-L439 HydrophobicContact CD2-CD1 3.93Å | ||
| 399 | T | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 167.2 | 167.3 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | W391 P393 G397 L401 H402 E403 V425 A428 | W391-T399 WeakPolarHBondContact O-CG2 3.45Å; P393-T399 HydrophobicContact CB-CG2 4.15Å; G397-T399 PolarHBondContact O-N 2.86Å; T399-L401 PolarHBondContact O-N 2.96Å; T399-L401 VanDerWaalsContact O-N 3.1Å; T399-H402 PolarHBondContact N-ND1 3.04Å; T399-H402 WeakPolarHBondContact O-CB 3.34Å; T399-H402 PolarHBondContact O-N 2.88Å; T399-H402 PolarHBondContact OG1-ND1 2.86Å; T399-E403 PolarHBondContact O-N 3.39Å; T399-V425 HydrophobicContact CG2-CG1 4.2Å; T399-A428 HydrophobicContact CG2-CB 4.36Å |
| 400 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.9 | -28.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C357 H358 A404 F412 | C357-A400 HydrophobicContact CB-CB 4.06Å; C357-A400 WeakPolarHBondContact SG-CB 3.36Å; H358-A400 PolarHBondContact NE2-N 3.36Å; A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.35Å; A400-A404 PolarHBondContact O-N 3.46Å; A400-F412 HydrophobicContact CB-CE1 4.3Å |
| 401 | L | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.2 | 178.9 | 58.2 | 0 | 0 | 0 | 112.3 | T399 A404 C405 I413 L416 F422 P436 | T399-L401 PolarHBondContact O-N 2.96Å; T399-L401 VanDerWaalsContact O-N 3.1Å; L401-A404 PolarHBondContact O-N 2.85Å; L401-C405 WeakPolarHBondContact O-CB 3.35Å; L401-C405 PolarHBondContact O-N 3.45Å; L401-C405 PolarHBondContact O-SG 3.48Å; L401-I413 HydrophobicContact CD1-CG1 4.16Å; L401-I413 HydrophobicContact CD1-CG2 4.1Å; L401-L416 HydrophobicContact CB-CD1 4.24Å; L401-L416 HydrophobicContact CD1-CD1 4.32Å; L401-F422 HydrophobicContact CD1-CE2 3.91Å; L401-F422 HydrophobicContact CD1-CZ 4.21Å; L401-F422 HydrophobicContact CD2-CE2 3.98Å; L401-F422 HydrophobicContact CD2-CZ 4.18Å; L401-P436 HydrophobicContact CD2-CG 4.02Å; L401-P436 HydrophobicContact CG-CB 4.37Å; L401-P436 HydrophobicContact CG-CG 4.13Å |
| 402 | H | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.2 | -65.1 | 81.2 | 0 | 0 | 0 | 111.1 | L398 T399 C405 L406 A428 H434 P436 L439 | L398-H402 HydrophobicContact CB-CB 4.22Å; L398-H402 HydrophobicContact CD2-CB 3.54Å; T399-H402 PolarHBondContact N-ND1 3.04Å; T399-H402 WeakPolarHBondContact O-CB 3.34Å; T399-H402 PolarHBondContact O-N 2.88Å; T399-H402 PolarHBondContact OG1-ND1 2.86Å; H402-C405 WeakPolarHBondContact O-CB 3.49Å; H402-C405 PolarHBondContact O-N 3.23Å; H402-L406 WeakPolarHBondContact O-CG 3.29Å; H402-L406 PolarHBondContact O-N 3.27Å; H402-A428 PolarHBondContact CE1-O 3.46Å; H402-A428 PolarHBondContact NE2-O 3.11Å; H402-H434 PolarHBondContact NE2-O 2.56Å; H402-P436 WeakPolarHBondContact NE2-CD 3.33Å; H402-L439 HydrophobicContact CB-CD1 4.04Å |
| 403 | E | 93.6 | Very high | 93 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 178 | -173.6 | 157.5 | -158.2 | 0 | 0 | 111.7 | H358 A361 R362 T399 C405 L406 L407 | H358-E403 IonicContact CD2-OE2 2.78Å; A361-E403 HydrophobicContact CB-CB 4.47Å; R362-E403 WeakPolarHBondContact CD-OE1 3.36Å; R362-E403 HydrophobicContact CG-CG 4.11Å; R362-E403 WeakPolarHBondContact CG-OE1 3.41Å; R362-E403 IonicContact CZ-OE1 3.23Å; R362-E403 IonicContact NE-OE1 3.13Å; R362-E403 IonicContact NH1-OE1 4Å; R362-E403 PolarHBondContact NH1-OE1 3.41Å; T399-E403 PolarHBondContact O-N 3.39Å; E403-C405 VanDerWaalsContact C-N 3.34Å; E403-C405 PolarHBondContact O-N 2.94Å; E403-L406 PolarHBondContact O-N 3Å; E403-L407 HydrophobicContact CG-CD1 3.93Å; E403-L407 WeakPolarHBondContact O-CB 3.47Å; E403-L407 WeakPolarHBondContact O-CG 3.37Å; E403-L407 PolarHBondContact O-N 2.87Å |
| 404 | A | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A361 A400 L401 L407 R408 N409 F412 I413 | A361-A404 HydrophobicContact CB-CB 4.12Å; A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.35Å; A400-A404 PolarHBondContact O-N 3.46Å; L401-A404 PolarHBondContact O-N 2.85Å; A404-L407 CarbonylContact O-C 3.6Å; A404-L407 PolarHBondContact O-N 3.27Å; A404-R408 PolarHBondContact O-N 3.04Å; A404-N409 PolarHBondContact O-N 2.78Å; A404-F412 HydrophobicContact CB-CD1 3.65Å; A404-F412 HydrophobicContact CB-CE1 4.17Å; A404-I413 HydrophobicContact CB-CD1 4.09Å; A404-I413 HydrophobicContact CB-CG1 3.64Å |
| 405 | C | 92.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -51.1 | 176.1 | -79.1 | 0 | 0 | 0 | 0 | 111.5 | L401 H402 E403 L407 R408 V440 W445 | L401-C405 WeakPolarHBondContact O-CB 3.35Å; L401-C405 PolarHBondContact O-N 3.45Å; L401-C405 PolarHBondContact O-SG 3.48Å; H402-C405 WeakPolarHBondContact O-CB 3.49Å; H402-C405 PolarHBondContact O-N 3.23Å; E403-C405 VanDerWaalsContact C-N 3.34Å; E403-C405 PolarHBondContact O-N 2.94Å; C405-L407 PolarHBondContact O-N 3.39Å; C405-R408 PolarHBondContact O-N 3.42Å; C405-V440 HydrophobicContact CB-CG2 3.61Å; C405-W445 WeakPolarHBondContact O-CH2 3.35Å; C405-W445 WeakPolarHBondContact O-CZ2 2.97Å |
| 406 | L | 90.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 29.5 Ų | 29.5 | 40% | 0.403 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.9 | -35.2 | 178 | -71.2 | 173 | 0 | 0 | 0 | 112.8 | H402 E403 L439 | H402-L406 WeakPolarHBondContact O-CG 3.29Å; H402-L406 PolarHBondContact O-N 3.27Å; E403-L406 PolarHBondContact O-N 3Å; L406-L439 HydrophobicContact CD1-CD1 4.22Å; L406-L439 HydrophobicContact CD2-CB 4.16Å; L406-L439 HydrophobicContact CD2-CD1 4.37Å; L406-L439 HydrophobicContact CG-CD1 4.25Å |
| 407 | L | 90.1 | Very high | 92.5 | Very high | 65 Ų | 65 | 27.3 Ų | 27.3 | 34% | 0.34 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.6 | 178.9 | -62.5 | 176.9 | 0 | 0 | 0 | 114 | R362 E403 A404 C405 N409 | R362-L407 HydrophobicContact CB-CD1 4.11Å; R362-L407 HydrophobicContact CG-CD1 3.78Å; E403-L407 HydrophobicContact CG-CD1 3.93Å; E403-L407 WeakPolarHBondContact O-CB 3.47Å; E403-L407 WeakPolarHBondContact O-CG 3.37Å; E403-L407 PolarHBondContact O-N 2.87Å; A404-L407 CarbonylContact O-C 3.6Å; A404-L407 PolarHBondContact O-N 3.27Å; C405-L407 PolarHBondContact O-N 3.39Å; L407-N409 PolarHBondContact O-N 3.24Å |
| 408 | R | 89.6 | Confident | 92.4 | Very high | 94 Ų | 94 | 31.4 Ų | 31.4 | 36% | 0.355 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.5 | -179.8 | -58.4 | 160 | 61.3 | 156.6 | 0.3 | 113.3 | A404 C405 V410 W445 E448 S450 | A404-R408 PolarHBondContact O-N 3.04Å; C405-R408 PolarHBondContact O-N 3.42Å; R408-V410 PolarHBondContact O-N 3.39Å; R408-W445 HydrophobicContact CG-CD2 3.87Å; R408-W445 HydrophobicContact CG-CE3 3.9Å; R408-W445 HydrophobicContact CG-CH2 3.61Å; R408-W445 HydrophobicContact CG-CZ2 3.54Å; R408-W445 HydrophobicContact CG-CZ3 3.78Å; R408-E448 IonicContact CZ-OE2 3.88Å; R408-E448 IonicContact NH1-OE1 3.15Å; R408-E448 PolarHBondContact NH1-OE1 2.99Å; R408-E448 IonicContact NH1-OE2 3.41Å; R408-E448 PolarHBondContact NH1-OE2 2.9Å; R408-E448 IonicContact NH2-OE2 3.57Å; R408-E448 PolarHBondContact NH2-OE2 3.32Å; R408-S450 PolarHBondContact NH2-OG 2.87Å |
| 409 | N | 89 | Confident | 92.3 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | trans | -79.6 | 68.3 | -178.1 | -168.8 | -10.6 | 0 | 0 | 0 | 111.4 | A361 L363 A404 L407 S411 F412 I413 | A361-N409 PolarHBondContact O-ND2 3.2Å; L363-N409 PolarHBondContact O-ND2 3.02Å; A404-N409 PolarHBondContact O-N 2.78Å; L407-N409 PolarHBondContact O-N 3.24Å; N409-S411 PolarHBondContact O-N 2.94Å; N409-F412 HydrophobicContact CB-CB 4.29Å; N409-F412 VanDerWaalsContact CG-CB 3.46Å; N409-F412 WeakPolarHBondContact ND2-CB 3.26Å; N409-F412 PolarHBondContact O-N 3.38Å; N409-F412 VanDerWaalsContact O-N 3.14Å; N409-F412 WeakPolarHBondContact OD1-CB 3.27Å; N409-F412 PolarHBondContact OD1-N 3.1Å; N409-F412 VanDerWaalsContact OD1-N 3.15Å; N409-I413 WeakPolarHBondContact O-CG1 3.49Å; N409-I413 PolarHBondContact O-N 3.05Å | ||
| 410 | V | 87.6 | Confident | 92 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 33% | 0.333 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.8 | -35.2 | -177.5 | -179.7 | 0 | 0 | 0 | 0 | 112 | R408 I413 K414 | R408-V410 PolarHBondContact O-N 3.39Å; V410-I413 PolarHBondContact O-N 3.48Å; V410-K414 HydrophobicContact CG1-CD 4.33Å; V410-K414 WeakPolarHBondContact O-CG 3.43Å; V410-K414 PolarHBondContact O-N 3.2Å |
| 411 | S | 88.8 | Confident | 91.6 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 178.1 | -60 | 0 | 0 | 0 | 0 | 112.1 | D373 N409 Q415 | D373-S411 WeakPolarHBondContact OD1-CB 3.44Å; D373-S411 PolarHBondContact OD1-OG 2.89Å; N409-S411 PolarHBondContact O-N 2.94Å; S411-Q415 PolarHBondContact O-N 3Å |
| 412 | F | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -41.3 | 175.6 | -179.6 | -122.8 | 0 | 0 | 0 | 112.7 | L360 A361 I376 L380 A400 A404 N409 K414 Q415 L416 | L360-F412 HydrophobicContact CB-CE2 4.43Å; L360-F412 HydrophobicContact CD2-CD2 4.28Å; L360-F412 HydrophobicContact CD2-CE2 3.71Å; L360-F412 HydrophobicContact CD2-CZ 4.49Å; L360-F412 HydrophobicContact CG-CD2 4.38Å; L360-F412 HydrophobicContact CG-CE2 4.07Å; A361-F412 VanDerWaalsContact CA-CD1 3.49Å; A361-F412 HydrophobicContact CB-CD1 3.68Å; A361-F412 HydrophobicContact CB-CE1 3.41Å; A361-F412 VanDerWaalsContact CB-CE1 3.41Å; A361-F412 HydrophobicContact CB-CZ 4.36Å; I376-F412 HydrophobicContact CD1-CB 4.24Å; I376-F412 HydrophobicContact CG2-CB 4.1Å; I376-F412 HydrophobicContact CG2-CD2 3.64Å; I376-F412 HydrophobicContact CG2-CG 4.33Å; L380-F412 HydrophobicContact CD1-CE2 4.17Å; L380-F412 HydrophobicContact CD2-CD2 4.46Å; L380-F412 HydrophobicContact CD2-CE2 4.03Å; A400-F412 HydrophobicContact CB-CE1 4.3Å; A404-F412 HydrophobicContact CB-CD1 3.65Å; A404-F412 HydrophobicContact CB-CE1 4.17Å; N409-F412 HydrophobicContact CB-CB 4.29Å; N409-F412 VanDerWaalsContact CG-CB 3.46Å; N409-F412 WeakPolarHBondContact ND2-CB 3.26Å; N409-F412 PolarHBondContact O-N 3.38Å; N409-F412 VanDerWaalsContact O-N 3.14Å; N409-F412 WeakPolarHBondContact OD1-CB 3.27Å; N409-F412 PolarHBondContact OD1-N 3.1Å; N409-F412 VanDerWaalsContact OD1-N 3.15Å; F412-K414 VanDerWaalsContact C-N 3.25Å; F412-K414 PolarHBondContact O-N 3.27Å; F412-Q415 PolarHBondContact O-N 3.18Å; F412-L416 HydrophobicContact CD1-CD1 4.01Å; F412-L416 HydrophobicContact CD1-CG 4.32Å; F412-L416 HydrophobicContact CD2-CG 4.37Å; F412-L416 HydrophobicContact CE1-CD1 3.52Å; F412-L416 HydrophobicContact CE1-CD2 4.31Å; F412-L416 HydrophobicContact CE1-CG 3.91Å; F412-L416 HydrophobicContact CE2-CD1 4.48Å; F412-L416 HydrophobicContact CE2-CD2 3.99Å; F412-L416 HydrophobicContact CE2-CG 3.96Å; F412-L416 HydrophobicContact CZ-CD1 3.81Å; F412-L416 HydrophobicContact CZ-CD2 3.71Å; F412-L416 HydrophobicContact CZ-CG 3.74Å; F412-L416 PolarHBondContact O-N 2.85Å |
| 413 | I | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -39.3 | 176.6 | -63.4 | 171.3 | 0 | 0 | 0 | 111 | L401 A404 N409 V410 Q415 L416 A417 F422 L454 Y457 | L401-I413 HydrophobicContact CD1-CG1 4.16Å; L401-I413 HydrophobicContact CD1-CG2 4.1Å; A404-I413 HydrophobicContact CB-CD1 4.09Å; A404-I413 HydrophobicContact CB-CG1 3.64Å; N409-I413 WeakPolarHBondContact O-CG1 3.49Å; N409-I413 PolarHBondContact O-N 3.05Å; V410-I413 PolarHBondContact O-N 3.48Å; I413-Q415 PolarHBondContact O-N 3.23Å; I413-L416 PolarHBondContact O-N 3.49Å; I413-A417 WeakPolarHBondContact O-CB 3.15Å; I413-A417 PolarHBondContact O-N 3.11Å; I413-F422 HydrophobicContact CG2-CZ 4.43Å; I413-L454 HydrophobicContact CD1-CD1 3.64Å; I413-L454 HydrophobicContact CD1-CD2 4.37Å; I413-Y457 HydrophobicContact CG2-CD1 4.08Å; I413-Y457 HydrophobicContact CG2-CE1 3.92Å |
| 414 | K | 91.3 | Very high | 91 | Very high | 106 Ų | 106 | 47.9 Ų | 47.9 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 172.7 | -76.3 | 175.8 | 175.1 | -174.2 | 0 | 113.4 | V410 F412 Y457 | V410-K414 HydrophobicContact CG1-CD 4.33Å; V410-K414 WeakPolarHBondContact O-CG 3.43Å; V410-K414 PolarHBondContact O-N 3.2Å; F412-K414 VanDerWaalsContact C-N 3.25Å; F412-K414 PolarHBondContact O-N 3.27Å; K414-Y457 HydrophobicContact CG-CE2 4.16Å |
| 415 | Q | 91.9 | Very high | 91 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72 | -41.3 | 175.2 | -58.5 | -47.6 | -64.8 | 0 | 0 | 111.2 | I376 K377 L380 S411 F412 I413 A417 T418 | I376-Q415 HydrophobicContact CG2-CG 4.04Å; K377-Q415 HydrophobicContact CB-CG 4.27Å; L380-Q415 HydrophobicContact CD2-CB 3.65Å; S411-Q415 PolarHBondContact O-N 3Å; F412-Q415 PolarHBondContact O-N 3.18Å; I413-Q415 PolarHBondContact O-N 3.23Å; Q415-A417 VanDerWaalsContact C-N 3.27Å; Q415-A417 PolarHBondContact O-N 3.07Å; Q415-T418 PolarHBondContact O-N 2.94Å; Q415-T418 PolarHBondContact O-OG1 3.3Å |
| 416 | L | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.4 | -39.5 | 172.7 | -73.3 | -178.8 | 0 | 0 | 0 | 112.1 | L380 P390 W391 L401 F412 I413 T418 L419 F422 | L380-L416 HydrophobicContact CD2-CD2 4.33Å; P390-L416 HydrophobicContact CB-CD2 4.18Å; W391-L416 HydrophobicContact CH2-CB 4.43Å; W391-L416 HydrophobicContact CH2-CD2 4.44Å; W391-L416 HydrophobicContact CZ3-CB 4.46Å; W391-L416 HydrophobicContact CZ3-CD2 4.19Å; L401-L416 HydrophobicContact CB-CD1 4.24Å; L401-L416 HydrophobicContact CD1-CD1 4.32Å; F412-L416 HydrophobicContact CD1-CD1 4.01Å; F412-L416 HydrophobicContact CD1-CG 4.32Å; F412-L416 HydrophobicContact CD2-CG 4.37Å; F412-L416 HydrophobicContact CE1-CD1 3.52Å; F412-L416 HydrophobicContact CE1-CD2 4.31Å; F412-L416 HydrophobicContact CE1-CG 3.91Å; F412-L416 HydrophobicContact CE2-CD1 4.48Å; F412-L416 HydrophobicContact CE2-CD2 3.99Å; F412-L416 HydrophobicContact CE2-CG 3.96Å; F412-L416 HydrophobicContact CZ-CD1 3.81Å; F412-L416 HydrophobicContact CZ-CD2 3.71Å; F412-L416 HydrophobicContact CZ-CG 3.74Å; F412-L416 PolarHBondContact O-N 2.85Å; I413-L416 PolarHBondContact O-N 3.49Å; L416-T418 PolarHBondContact O-N 3.02Å; L416-T418 VanDerWaalsContact O-N 3.17Å; L416-L419 HydrophobicContact CD2-CD1 4.24Å; L416-L419 WeakPolarHBondContact O-CB 3.42Å; L416-L419 PolarHBondContact O-N 3.03Å; L416-F422 HydrophobicContact CB-CD2 4Å; L416-F422 HydrophobicContact CB-CE2 3.99Å; L416-F422 WeakPolarHBondContact O-CD2 3.38Å |
| 417 | A | 92.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | I413 Q415 F422 Y457 | I413-A417 WeakPolarHBondContact O-CB 3.15Å; I413-A417 PolarHBondContact O-N 3.11Å; Q415-A417 VanDerWaalsContact C-N 3.27Å; Q415-A417 PolarHBondContact O-N 3.07Å; A417-F422 HydrophobicContact CB-CD1 4.33Å; A417-F422 HydrophobicContact CB-CD2 4.24Å; A417-F422 HydrophobicContact CB-CE1 4.29Å; A417-F422 HydrophobicContact CB-CE2 4.16Å; A417-F422 HydrophobicContact CB-CG 4.31Å; A417-F422 HydrophobicContact CB-CZ 4.2Å; A417-Y457 HydrophobicContact CB-CE1 4.19Å; A417-Y457 WeakPolarHBondContact CB-OH 3.49Å |
| 418 | T | 92.5 | Very high | 91.5 | Very high | 102 Ų | 102 | 45.7 Ų | 45.7 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -10.1 | 172.5 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | Q415 L416 | Q415-T418 PolarHBondContact O-N 2.94Å; Q415-T418 PolarHBondContact O-OG1 3.3Å; L416-T418 PolarHBondContact O-N 3.02Å; L416-T418 VanDerWaalsContact O-N 3.17Å |
| 419 | L | 93.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -90.5 | 143.6 | -176.3 | -61.2 | -176.5 | 0 | 0 | 0 | 112.1 | L380 V384 P390 W391 L416 G421 F422 | L380-L419 HydrophobicContact CD1-CD1 4.2Å; L380-L419 HydrophobicContact CD2-CD1 3.97Å; L380-L419 HydrophobicContact CG-CD1 4.21Å; V384-L419 HydrophobicContact CG2-CD1 4.04Å; P390-L419 HydrophobicContact CB-CD1 4.36Å; P390-L419 HydrophobicContact CG-CD1 3.88Å; W391-L419 HydrophobicContact CH2-CB 4.16Å; W391-L419 HydrophobicContact CZ2-CB 3.75Å; L416-L419 HydrophobicContact CD2-CD1 4.24Å; L416-L419 WeakPolarHBondContact O-CB 3.42Å; L416-L419 PolarHBondContact O-N 3.03Å; L419-G421 PolarHBondContact O-N 3.21Å; L419-F422 PolarHBondContact O-N 2.7Å |
| 420 | P | 89.2 | Confident | 92 | Very high | 116 Ų | 116 | 45.4 Ų | 45.4 | 75% | 0.753 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 133.7 | 174.8 | 27.4 | -34.5 | 0 | 0 | 0 | 110.6 | W391 | W391-P420 WeakPolarHBondContact CZ2-O 3.31Å; W391-P420 PolarHBondContact NE1-O 2.77Å |
| 421 | G | 88.5 | Confident | 92.2 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -5.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L419 N423 T424 V425 | L419-G421 PolarHBondContact O-N 3.21Å; G421-N423 VanDerWaalsContact C-N 3.25Å; G421-N423 PolarHBondContact O-N 3.37Å; G421-T424 PolarHBondContact O-N 2.99Å; G421-T424 VanDerWaalsContact O-N 3.11Å; G421-T424 PolarHBondContact O-OG1 2.87Å; G421-V425 PolarHBondContact O-N 3Å |
| 422 | F | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.3 | -42.4 | 177.9 | -172.5 | -92.6 | 0 | 0 | 0 | 112.7 | W391 L401 I413 L416 A417 L419 T424 V425 V426 H461 | W391-F422 HydrophobicContact CH2-CB 3.87Å; W391-F422 AromaticContact CH2-CD2 3.89Å; W391-F422 HydrophobicContact CH2-CD2 3.89Å; W391-F422 HydrophobicContact CH2-CG 4.38Å; W391-F422 HydrophobicContact CZ2-CB 4.36Å; W391-F422 HydrophobicContact CZ3-CD2 4.16Å; L401-F422 HydrophobicContact CD1-CE2 3.91Å; L401-F422 HydrophobicContact CD1-CZ 4.21Å; L401-F422 HydrophobicContact CD2-CE2 3.98Å; L401-F422 HydrophobicContact CD2-CZ 4.18Å; I413-F422 HydrophobicContact CG2-CZ 4.43Å; L416-F422 HydrophobicContact CB-CD2 4Å; L416-F422 HydrophobicContact CB-CE2 3.99Å; L416-F422 WeakPolarHBondContact O-CD2 3.38Å; A417-F422 HydrophobicContact CB-CD1 4.33Å; A417-F422 HydrophobicContact CB-CD2 4.24Å; A417-F422 HydrophobicContact CB-CE1 4.29Å; A417-F422 HydrophobicContact CB-CE2 4.16Å; A417-F422 HydrophobicContact CB-CG 4.31Å; A417-F422 HydrophobicContact CB-CZ 4.2Å; L419-F422 PolarHBondContact O-N 2.7Å; F422-T424 PolarHBondContact O-N 2.81Å; F422-V425 PolarHBondContact O-N 3.48Å; F422-V425 VanDerWaalsContact O-N 3.16Å; F422-V426 HydrophobicContact CE1-CB 4.23Å; F422-V426 HydrophobicContact CE1-CG2 4.07Å; F422-V426 HydrophobicContact CZ-CG2 4.49Å; F422-V426 WeakPolarHBondContact O-CB 3.17Å; F422-V426 PolarHBondContact O-N 3.07Å; F422-H461 HydrophobicContact CD1-CB 4.06Å; F422-H461 HydrophobicContact CE1-CB 3.58Å; F422-H461 AromaticContact CE1-CD2 3.95Å; F422-H461 AromaticContact CE1-CG 3.93Å |
| 423 | N | 89.2 | Confident | 92.2 | Very high | 116 Ų | 116 | 52 Ų | 52 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65 | -20 | -177.9 | -61 | 0.9 | 0 | 0 | 0 | 114.3 | G421 V426 | G421-N423 VanDerWaalsContact C-N 3.25Å; G421-N423 PolarHBondContact O-N 3.37Å; N423-V426 WeakPolarHBondContact O-CG1 3.27Å |
| 424 | T | 88.6 | Confident | 92.3 | Very high | 108 Ų | 108 | 52.7 Ų | 52.7 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -89.3 | -38.7 | 172.7 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | G421 F422 N427 | G421-T424 PolarHBondContact O-N 2.99Å; G421-T424 VanDerWaalsContact O-N 3.11Å; G421-T424 PolarHBondContact O-OG1 2.87Å; F422-T424 PolarHBondContact O-N 2.81Å; T424-N427 PolarHBondContact O-N 2.85Å |
| 425 | V | 92.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.6 | -20.9 | -176.4 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | W391 T399 G421 F422 N427 A428 | W391-V425 HydrophobicContact CB-CG2 3.76Å; W391-V425 HydrophobicContact CD2-CB 4.27Å; W391-V425 HydrophobicContact CD2-CG2 3.67Å; W391-V425 HydrophobicContact CE3-CB 3.82Å; W391-V425 HydrophobicContact CE3-CG1 3.77Å; W391-V425 HydrophobicContact CE3-CG2 3.75Å; W391-V425 HydrophobicContact CG-CG2 3.72Å; W391-V425 HydrophobicContact CZ3-CB 4.28Å; W391-V425 HydrophobicContact CZ3-CG1 4.36Å; T399-V425 HydrophobicContact CG2-CG1 4.2Å; G421-V425 PolarHBondContact O-N 3Å; F422-V425 PolarHBondContact O-N 3.48Å; F422-V425 VanDerWaalsContact O-N 3.16Å; V425-N427 PolarHBondContact O-N 2.88Å; V425-A428 HydrophobicContact CG1-CB 4.19Å; V425-A428 WeakPolarHBondContact O-CB 3.4Å; V425-A428 PolarHBondContact O-N 3.43Å |
| 426 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.4 | 172.1 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | F422 N423 P436 L458 A463 | F422-V426 HydrophobicContact CE1-CB 4.23Å; F422-V426 HydrophobicContact CE1-CG2 4.07Å; F422-V426 HydrophobicContact CZ-CG2 4.49Å; F422-V426 WeakPolarHBondContact O-CB 3.17Å; F422-V426 PolarHBondContact O-N 3.07Å; N423-V426 WeakPolarHBondContact O-CG1 3.27Å; V426-P436 WeakPolarHBondContact O-CD 3.21Å; V426-L458 HydrophobicContact CG2-CD2 3.98Å; V426-A463 HydrophobicContact CG2-CB 3.89Å |
| 427 | N | 95.2 | Very high | 92.9 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 7.6 | 178 | -65.6 | -39.6 | 0 | 0 | 0 | 114 | T424 V425 G462 A463 D464 | T424-N427 PolarHBondContact O-N 2.85Å; V425-N427 PolarHBondContact O-N 2.88Å; N427-G462 PolarHBondContact ND2-O 3.21Å; N427-A463 WeakPolarHBondContact OD1-CA 3.4Å; N427-D464 PolarHBondContact OD1-N 3.04Å |
| 428 | A | 94.7 | Very high | 93 | Very high | 30 Ų | 30 | 45 Ų | 45 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | trans | -59.9 | 145.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T399 H402 V425 T435 P436 | T399-A428 HydrophobicContact CG2-CB 4.36Å; H402-A428 PolarHBondContact CE1-O 3.46Å; H402-A428 PolarHBondContact NE2-O 3.11Å; V425-A428 HydrophobicContact CG1-CB 4.19Å; V425-A428 WeakPolarHBondContact O-CB 3.4Å; V425-A428 PolarHBondContact O-N 3.43Å; A428-T435 WeakPolarHBondContact O-CA 3.47Å; A428-P436 WeakPolarHBondContact O-CD 3.25Å | ||
| 429 | T | 94.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 49% | 0.485 | 25% | 0.252 | S | S | . | . | trans | -111.5 | 139.2 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | G433 H434 T435 | T429-G433 WeakPolarHBondContact CG2-O 3.18Å; T429-H434 WeakPolarHBondContact CA-O 3.26Å; T429-T435 HydrophobicContact CG2-CG2 3.74Å | ||
| 430 | E | 93.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | trans | -77 | -177.1 | 168.2 | 65.2 | 61.2 | -111.2 | 0 | 0 | 112.6 | T396 G397 L398 Q432 G433 H434 | T396-E430 WeakPolarHBondContact O-CB 3.4Å; G397-E430 WeakPolarHBondContact O-CA 3.21Å; L398-E430 HydrophobicContact CD2-CB 3.72Å; L398-E430 HydrophobicContact CD2-CG 3.72Å; L398-E430 HydrophobicContact CG-CB 4Å; L398-E430 HydrophobicContact CG-CG 4.39Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 2.58Å; E430-Q432 VanDerWaalsContact OE1-C 3.27Å; E430-Q432 WeakPolarHBondContact OE1-CA 3.4Å; E430-Q432 VanDerWaalsContact OE1-CB 3.24Å; E430-Q432 WeakPolarHBondContact OE1-CB 3.49Å; E430-Q432 PolarHBondContact OE1-N 2.71Å; E430-Q432 PolarHBondContact OE2-N 3.13Å; E430-G433 WeakPolarHBondContact O-CA 3.47Å; E430-G433 PolarHBondContact O-N 2.82Å; E430-G433 PolarHBondContact OE1-N 2.81Å; E430-H434 HydrophobicContact CG-CB 4.07Å; E430-H434 PolarHBondContact N-O 2.66Å; E430-H434 WeakPolarHBondContact OE1-CB 3.27Å; E430-H434 IonicContact OE1-CD2 3.6Å; E430-H434 PolarHBondContact OE1-CD2 2.87Å; E430-H434 IonicContact OE1-CG 3.55Å; E430-H434 PolarHBondContact OE1-N 3.11Å | ||
| 431 | S | 91.8 | Very high | 93.5 | Very high | 77 Ų | 77 | 34.2 Ų | 34.2 | 54% | 0.538 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.8 | -171.4 | -65.6 | 0 | 0 | 0 | 0 | 116.5 | T396 G397 G433 | T396-S431 WeakPolarHBondContact O-CB 3.15Å; T396-S431 PolarHBondContact O-N 2.98Å; T396-S431 PolarHBondContact O-OG 2.77Å; T396-S431 VanDerWaalsContact O-OG 3.09Å; G397-S431 PolarHBondContact N-OG 3.33Å; S431-G433 VanDerWaalsContact C-N 3.33Å |
| 432 | Q | 90.4 | Very high | 93.6 | Very high | 122 Ų | 122 | 33.1 Ų | 33.1 | 57% | 0.57 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.2 | 168.9 | -48.7 | -54.9 | -68.4 | 0 | 0 | 112.8 | E430 | E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 2.58Å; E430-Q432 VanDerWaalsContact OE1-C 3.27Å; E430-Q432 WeakPolarHBondContact OE1-CA 3.4Å; E430-Q432 VanDerWaalsContact OE1-CB 3.24Å; E430-Q432 WeakPolarHBondContact OE1-CB 3.49Å; E430-Q432 PolarHBondContact OE1-N 2.71Å; E430-Q432 PolarHBondContact OE2-N 3.13Å |
| 433 | G | 92.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 86 | 13.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T429 E430 S431 T469 | T429-G433 WeakPolarHBondContact CG2-O 3.18Å; E430-G433 WeakPolarHBondContact O-CA 3.47Å; E430-G433 PolarHBondContact O-N 2.82Å; E430-G433 PolarHBondContact OE1-N 2.81Å; S431-G433 VanDerWaalsContact C-N 3.33Å; G433-T469 WeakPolarHBondContact O-CB 3.3Å; G433-T469 PolarHBondContact O-OG1 2.85Å |
| 434 | H | 94.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 31.5 Ų | 31.5 | 7% | 0.069 | 20% | 0.195 | C | C | . | . | trans | -82.6 | 130.8 | -179.4 | -54.5 | -25.8 | 0 | 0 | 0 | 110.9 | H402 T429 E430 H438 L439 T469 R470 Y804 | H402-H434 PolarHBondContact NE2-O 2.56Å; T429-H434 WeakPolarHBondContact CA-O 3.26Å; E430-H434 HydrophobicContact CG-CB 4.07Å; E430-H434 PolarHBondContact N-O 2.66Å; E430-H434 WeakPolarHBondContact OE1-CB 3.27Å; E430-H434 IonicContact OE1-CD2 3.6Å; E430-H434 PolarHBondContact OE1-CD2 2.87Å; E430-H434 IonicContact OE1-CG 3.55Å; E430-H434 PolarHBondContact OE1-N 3.11Å; H434-H438 HydrophobicContact CB-CB 4.16Å; H434-L439 HydrophobicContact CB-CD2 3.76Å; H434-L439 HydrophobicContact CB-CG 4.17Å; H434-T469 PolarHBondContact N-OG1 3.11Å; H434-T469 PolarHBondContact ND1-OG1 3Å; H434-R470 PolarHBondContact CE1-O 3.2Å; H434-Y804 AromaticContact CD2-CZ 3.99Å; H434-Y804 AromaticContact CE1-CE1 3.38Å; H434-Y804 WeakPolarHBondContact CE1-CE1 3.47Å; H434-Y804 AromaticContact CE1-CZ 3.88Å; H434-Y804 AromaticContact NE2-CE1 3.27Å; H434-Y804 VanDerWaalsContact NE2-CE1 3.27Å; H434-Y804 WeakPolarHBondContact NE2-CE1 3.4Å; H434-Y804 AromaticContact NE2-CZ 3.58Å | ||
| 435 | T | 96 | Very high | 93.6 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | trans | -82.6 | 166 | 168.6 | 70 | 0 | 0 | 0 | 0 | 111.1 | A428 T429 L437 H438 L439 A467 | A428-T435 WeakPolarHBondContact O-CA 3.47Å; T429-T435 HydrophobicContact CG2-CG2 3.74Å; T435-L437 PolarHBondContact O-N 3.01Å; T435-H438 PolarHBondContact N-ND1 2.58Å; T435-H438 WeakPolarHBondContact O-CB 3.22Å; T435-H438 PolarHBondContact O-N 2.91Å; T435-H438 PolarHBondContact OG1-N 2.83Å; T435-H438 PolarHBondContact OG1-ND1 3.34Å; T435-L439 PolarHBondContact O-N 3.25Å; T435-L439 VanDerWaalsContact O-N 3.13Å; T435-A467 HydrophobicContact CG2-CB 4.08Å | ||
| 436 | P | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.7 | -37.8 | 173.5 | -27.1 | 34.8 | 0 | 0 | 0 | 112.9 | L401 H402 V426 A428 L439 V440 L458 | L401-P436 HydrophobicContact CD2-CG 4.02Å; L401-P436 HydrophobicContact CG-CB 4.37Å; L401-P436 HydrophobicContact CG-CG 4.13Å; H402-P436 WeakPolarHBondContact NE2-CD 3.33Å; V426-P436 WeakPolarHBondContact O-CD 3.21Å; A428-P436 WeakPolarHBondContact O-CD 3.25Å; P436-L439 PolarHBondContact O-N 3.23Å; P436-V440 WeakPolarHBondContact O-CG2 3.38Å; P436-V440 PolarHBondContact O-N 3.04Å; P436-L458 HydrophobicContact CB-CD1 4.36Å |
| 437 | L | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 177 | -178 | 62.8 | 0 | 0 | 0 | 112.3 | T435 L439 V440 V441 C455 L459 A463 P479 | T435-L437 PolarHBondContact O-N 3.01Å; L437-L439 VanDerWaalsContact C-N 3.34Å; L437-L439 PolarHBondContact O-N 3.22Å; L437-V440 PolarHBondContact O-N 2.92Å; L437-V441 HydrophobicContact CD1-CG2 4.03Å; L437-V441 HydrophobicContact CG-CG2 4.42Å; L437-V441 WeakPolarHBondContact O-CB 3.43Å; L437-V441 VanDerWaalsContact O-CG2 3.3Å; L437-V441 WeakPolarHBondContact O-CG2 3.15Å; L437-V441 PolarHBondContact O-N 2.66Å; L437-C455 HydrophobicContact CD1-CB 4.5Å; L437-L459 HydrophobicContact CD1-CG 4.35Å; L437-L459 HydrophobicContact CD2-CD2 3.69Å; L437-L459 HydrophobicContact CD2-CG 4.39Å; L437-A463 HydrophobicContact CB-CB 4.3Å; L437-A463 HydrophobicContact CD2-CB 4.16Å; L437-P479 HydrophobicContact CD2-CB 4.1Å; L437-P479 HydrophobicContact CD2-CG 3.82Å; L437-P479 HydrophobicContact CG-CB 4.15Å; L437-P479 HydrophobicContact CG-CG 4.05Å |
| 438 | H | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 174.5 | -71.3 | 96.7 | 0 | 0 | 0 | 111.3 | H434 T435 V440 V441 A442 A467 T469 L482 | H434-H438 HydrophobicContact CB-CB 4.16Å; T435-H438 PolarHBondContact N-ND1 2.58Å; T435-H438 WeakPolarHBondContact O-CB 3.22Å; T435-H438 PolarHBondContact O-N 2.91Å; T435-H438 PolarHBondContact OG1-N 2.83Å; T435-H438 PolarHBondContact OG1-ND1 3.34Å; H438-V440 PolarHBondContact O-N 3.25Å; H438-V441 PolarHBondContact O-N 2.86Å; H438-A442 WeakPolarHBondContact O-CB 3.36Å; H438-A442 PolarHBondContact O-N 3.37Å; H438-A467 PolarHBondContact CE1-O 3.5Å; H438-A467 VanDerWaalsContact CE1-O 3.28Å; H438-A467 PolarHBondContact NE2-O 2.89Å; H438-A467 VanDerWaalsContact NE2-O 3.17Å; H438-T469 WeakPolarHBondContact CD2-CG2 3.3Å; H438-T469 WeakPolarHBondContact NE2-CB 3.26Å; H438-T469 WeakPolarHBondContact NE2-CG2 3.42Å; H438-L482 HydrophobicContact CB-CD1 3.97Å |
| 439 | L | 94.2 | Very high | 92.9 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.7 | -64.4 | -172.7 | 0 | 0 | 0 | 112.6 | L398 H402 L406 H434 T435 P436 L437 A443 | L398-L439 HydrophobicContact CD2-CD1 3.93Å; H402-L439 HydrophobicContact CB-CD1 4.04Å; L406-L439 HydrophobicContact CD1-CD1 4.22Å; L406-L439 HydrophobicContact CD2-CB 4.16Å; L406-L439 HydrophobicContact CD2-CD1 4.37Å; L406-L439 HydrophobicContact CG-CD1 4.25Å; H434-L439 HydrophobicContact CB-CD2 3.76Å; H434-L439 HydrophobicContact CB-CG 4.17Å; T435-L439 PolarHBondContact O-N 3.25Å; T435-L439 VanDerWaalsContact O-N 3.13Å; P436-L439 PolarHBondContact O-N 3.23Å; L437-L439 VanDerWaalsContact C-N 3.34Å; L437-L439 PolarHBondContact O-N 3.22Å; L439-A443 PolarHBondContact O-N 3.32Å |
| 440 | V | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | C405 P436 L437 H438 A443 W445 S446 L454 C455 L458 | C405-V440 HydrophobicContact CB-CG2 3.61Å; P436-V440 WeakPolarHBondContact O-CG2 3.38Å; P436-V440 PolarHBondContact O-N 3.04Å; L437-V440 PolarHBondContact O-N 2.92Å; H438-V440 PolarHBondContact O-N 3.25Å; V440-A443 WeakPolarHBondContact O-CB 3.41Å; V440-A443 PolarHBondContact O-N 3.24Å; V440-W445 HydrophobicContact CG1-CH2 4.05Å; V440-W445 HydrophobicContact CG1-CZ3 3.93Å; V440-W445 HydrophobicContact CG2-CH2 4.35Å; V440-S446 WeakPolarHBondContact O-CB 3.33Å; V440-L454 HydrophobicContact CG1-CB 4.25Å; V440-L454 HydrophobicContact CG1-CD2 3.99Å; V440-L454 HydrophobicContact CG1-CG 4.07Å; V440-L454 HydrophobicContact CG2-CD2 3.72Å; V440-L454 HydrophobicContact CG2-CG 4.1Å; V440-C455 WeakPolarHBondContact CG1-SG 3.42Å; V440-L458 HydrophobicContact CB-CD1 4.43Å; V440-L458 HydrophobicContact CG2-CD1 3.88Å |
| 441 | V | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -39.8 | -178.1 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | L437 H438 A443 S446 P479 L482 A483 L497 I501 | L437-V441 HydrophobicContact CD1-CG2 4.03Å; L437-V441 HydrophobicContact CG-CG2 4.42Å; L437-V441 WeakPolarHBondContact O-CB 3.43Å; L437-V441 VanDerWaalsContact O-CG2 3.3Å; L437-V441 WeakPolarHBondContact O-CG2 3.15Å; L437-V441 PolarHBondContact O-N 2.66Å; H438-V441 PolarHBondContact O-N 2.86Å; V441-A443 VanDerWaalsContact C-N 3.29Å; V441-A443 PolarHBondContact O-N 2.88Å; V441-S446 WeakPolarHBondContact O-CB 3.49Å; V441-S446 PolarHBondContact O-OG 3.13Å; V441-P479 WeakPolarHBondContact CG1-O 3.25Å; V441-P479 HydrophobicContact CG2-CB 4.45Å; V441-L482 HydrophobicContact CG1-CB 3.88Å; V441-A483 HydrophobicContact CG1-CB 3.86Å; V441-L497 HydrophobicContact CG1-CD2 4.4Å; V441-I501 HydrophobicContact CG1-CD1 4.14Å; V441-I501 HydrophobicContact CG2-CD1 3.88Å |
| 442 | A | 91.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.7 | -12.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H438 L482 Y804 | H438-A442 WeakPolarHBondContact O-CB 3.36Å; H438-A442 PolarHBondContact O-N 3.37Å; A442-L482 HydrophobicContact CB-CD1 4.21Å; A442-L482 HydrophobicContact CB-CD2 4.35Å; A442-Y804 HydrophobicContact CB-CD2 4.35Å; A442-Y804 HydrophobicContact CB-CE2 3.45Å; A442-Y804 VanDerWaalsContact CB-CE2 3.45Å |
| 443 | A | 92 | Very high | 92.6 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -66.1 | 142.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L439 V440 V441 W445 S446 | L439-A443 PolarHBondContact O-N 3.32Å; V440-A443 WeakPolarHBondContact O-CB 3.41Å; V440-A443 PolarHBondContact O-N 3.24Å; V441-A443 VanDerWaalsContact C-N 3.29Å; V441-A443 PolarHBondContact O-N 2.88Å; A443-W445 HydrophobicContact CB-CD2 3.95Å; A443-W445 HydrophobicContact CB-CG 4.31Å; A443-W445 HydrophobicContact CB-CH2 4.37Å; A443-W445 HydrophobicContact CB-CZ2 3.79Å; A443-W445 PolarHBondContact O-N 2.7Å; A443-S446 WeakPolarHBondContact O-CB 3.36Å; A443-S446 PolarHBondContact O-N 2.9Å; A443-S446 PolarHBondContact O-OG 2.94Å; A443-S446 VanDerWaalsContact O-OG 3.13Å |
| 444 | S | 88.5 | Confident | 92.6 | Very high | 69 Ų | 69 | 29.3 Ų | 29.3 | 48% | 0.483 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.2 | -179.5 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 445 | W | 90.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 28.6 Ų | 28.6 | 13% | 0.125 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.7 | 175.1 | 52.2 | -100.8 | 0 | 0 | 0 | 113.7 | C405 R408 V440 A443 T447 E448 L454 | C405-W445 WeakPolarHBondContact O-CH2 3.35Å; C405-W445 WeakPolarHBondContact O-CZ2 2.97Å; R408-W445 HydrophobicContact CG-CD2 3.87Å; R408-W445 HydrophobicContact CG-CE3 3.9Å; R408-W445 HydrophobicContact CG-CH2 3.61Å; R408-W445 HydrophobicContact CG-CZ2 3.54Å; R408-W445 HydrophobicContact CG-CZ3 3.78Å; V440-W445 HydrophobicContact CG1-CH2 4.05Å; V440-W445 HydrophobicContact CG1-CZ3 3.93Å; V440-W445 HydrophobicContact CG2-CH2 4.35Å; A443-W445 HydrophobicContact CB-CD2 3.95Å; A443-W445 HydrophobicContact CB-CG 4.31Å; A443-W445 HydrophobicContact CB-CH2 4.37Å; A443-W445 HydrophobicContact CB-CZ2 3.79Å; A443-W445 PolarHBondContact O-N 2.7Å; W445-T447 PolarHBondContact O-N 3.37Å; W445-E448 HydrophobicContact CB-CG 4.09Å; W445-E448 VanDerWaalsContact O-CB 3.25Å; W445-E448 WeakPolarHBondContact O-CB 3.47Å; W445-E448 PolarHBondContact O-N 3.44Å; W445-L454 HydrophobicContact CH2-CD2 3.96Å; W445-L454 HydrophobicContact CZ3-CD2 4.14Å |
| 446 | S | 90.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.1 | -174.2 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | V440 V441 A443 G451 I452 N486 L497 | V440-S446 WeakPolarHBondContact O-CB 3.33Å; V441-S446 WeakPolarHBondContact O-CB 3.49Å; V441-S446 PolarHBondContact O-OG 3.13Å; A443-S446 WeakPolarHBondContact O-CB 3.36Å; A443-S446 PolarHBondContact O-N 2.9Å; A443-S446 PolarHBondContact O-OG 2.94Å; A443-S446 VanDerWaalsContact O-OG 3.13Å; S446-G451 CarbonylContact O-C 3.41Å; S446-G451 VanDerWaalsContact O-C 3.29Å; S446-G451 WeakPolarHBondContact O-CA 3.43Å; S446-I452 PolarHBondContact O-N 3.28Å; S446-I452 VanDerWaalsContact O-N 3.11Å; S446-N486 PolarHBondContact OG-ND2 2.91Å; S446-L497 WeakPolarHBondContact OG-CD2 3.3Å |
| 447 | T | 90.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.2 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | W445 I452 T488 S493 K494 L497 | W445-T447 PolarHBondContact O-N 3.37Å; T447-I452 WeakPolarHBondContact O-CD1 3.06Å; T447-T488 HydrophobicContact CG2-CG2 4.18Å; T447-T488 WeakPolarHBondContact OG1-CG2 3.26Å; T447-S493 WeakPolarHBondContact O-CB 3.36Å; T447-K494 HydrophobicContact CG2-CB 4.17Å; T447-L497 HydrophobicContact CG2-CD2 4.07Å |
| 448 | E | 91.5 | Very high | 92.3 | Very high | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -63.7 | 150.7 | 169.4 | -64.6 | -177.5 | -165.8 | 0 | 0 | 109.9 | R408 W445 S450 G451 I452 | R408-E448 IonicContact CZ-OE2 3.88Å; R408-E448 IonicContact NH1-OE1 3.15Å; R408-E448 PolarHBondContact NH1-OE1 2.99Å; R408-E448 IonicContact NH1-OE2 3.41Å; R408-E448 PolarHBondContact NH1-OE2 2.9Å; R408-E448 IonicContact NH2-OE2 3.57Å; R408-E448 PolarHBondContact NH2-OE2 3.32Å; W445-E448 HydrophobicContact CB-CG 4.09Å; W445-E448 VanDerWaalsContact O-CB 3.25Å; W445-E448 WeakPolarHBondContact O-CB 3.47Å; W445-E448 PolarHBondContact O-N 3.44Å; E448-S450 PolarHBondContact O-N 3.01Å; E448-G451 WeakPolarHBondContact O-CA 3.45Å; E448-G451 PolarHBondContact O-N 2.84Å; E448-I452 PolarHBondContact O-N 3.26Å |
| 449 | P | 89 | Confident | 92.3 | Very high | 93 Ų | 93 | 34.4 Ų | 34.4 | 60% | 0.604 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -54.7 | -26.4 | 178.5 | -29.3 | 35.9 | 0 | 0 | 0 | 114.8 | R453 | P449-R453 WeakPolarHBondContact O-CB 3.38Å; P449-R453 VanDerWaalsContact O-CD 3.28Å; P449-R453 WeakPolarHBondContact O-CD 3.4Å; P449-R453 WeakPolarHBondContact O-CG 3.2Å; P449-R453 PolarHBondContact O-N 2.95Å |
| 450 | S | 87.5 | Confident | 92.3 | Very high | 41 Ų | 41 | 39 Ų | 39 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77.7 | -32 | 171.7 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | R408 E448 L454 | R408-S450 PolarHBondContact NH2-OG 2.87Å; E448-S450 PolarHBondContact O-N 3.01Å; S450-L454 WeakPolarHBondContact O-CB 3.4Å; S450-L454 PolarHBondContact O-N 2.83Å |
| 451 | G | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -49.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S446 E448 R453 L454 C455 | S446-G451 CarbonylContact O-C 3.41Å; S446-G451 VanDerWaalsContact O-C 3.29Å; S446-G451 WeakPolarHBondContact O-CA 3.43Å; E448-G451 WeakPolarHBondContact O-CA 3.45Å; E448-G451 PolarHBondContact O-N 2.84Å; G451-R453 VanDerWaalsContact C-N 3.31Å; G451-R453 PolarHBondContact O-N 3.27Å; G451-L454 WeakPolarHBondContact O-CA 3.21Å; G451-L454 PolarHBondContact O-N 3.27Å; G451-C455 PolarHBondContact O-N 2.94Å; G451-C455 PolarHBondContact O-SG 3.41Å; G451-C455 VanDerWaalsContact O-SG 3.41Å |
| 452 | I | 93.2 | Very high | 92 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.138 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 174.9 | -59.3 | 175.3 | 0 | 0 | 0 | 111 | S446 T447 E448 L454 C455 H456 L496 L497 L500 | S446-I452 PolarHBondContact O-N 3.28Å; S446-I452 VanDerWaalsContact O-N 3.11Å; T447-I452 WeakPolarHBondContact O-CD1 3.06Å; E448-I452 PolarHBondContact O-N 3.26Å; I452-L454 VanDerWaalsContact C-N 3.33Å; I452-L454 PolarHBondContact O-N 3.44Å; I452-C455 PolarHBondContact O-N 3.03Å; I452-H456 PolarHBondContact O-N 3.12Å; I452-L496 HydrophobicContact CD1-CB 4.05Å; I452-L497 HydrophobicContact CG1-CB 4.38Å; I452-L500 HydrophobicContact CG2-CD1 4.15Å |
| 453 | R | 92.3 | Very high | 92.2 | Very high | 191 Ų | 191 | 43.1 Ų | 43.1 | 72% | 0.721 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.3 | -35.3 | 174.4 | -77.4 | 170.4 | -172.9 | -175.3 | 1.7 | 113.2 | P449 G451 Y457 | P449-R453 WeakPolarHBondContact O-CB 3.38Å; P449-R453 VanDerWaalsContact O-CD 3.28Å; P449-R453 WeakPolarHBondContact O-CD 3.4Å; P449-R453 WeakPolarHBondContact O-CG 3.2Å; P449-R453 PolarHBondContact O-N 2.95Å; G451-R453 VanDerWaalsContact C-N 3.31Å; G451-R453 PolarHBondContact O-N 3.27Å; R453-Y457 WeakPolarHBondContact O-CB 2.98Å; R453-Y457 PolarHBondContact O-N 3.23Å |
| 454 | L | 93 | Very high | 92.4 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73 | -40 | 177.5 | -177.2 | 58.8 | 0 | 0 | 0 | 111.4 | I413 V440 W445 S450 G451 I452 Y457 L458 | I413-L454 HydrophobicContact CD1-CD1 3.64Å; I413-L454 HydrophobicContact CD1-CD2 4.37Å; V440-L454 HydrophobicContact CG1-CB 4.25Å; V440-L454 HydrophobicContact CG1-CD2 3.99Å; V440-L454 HydrophobicContact CG1-CG 4.07Å; V440-L454 HydrophobicContact CG2-CD2 3.72Å; V440-L454 HydrophobicContact CG2-CG 4.1Å; W445-L454 HydrophobicContact CH2-CD2 3.96Å; W445-L454 HydrophobicContact CZ3-CD2 4.14Å; S450-L454 WeakPolarHBondContact O-CB 3.4Å; S450-L454 PolarHBondContact O-N 2.83Å; G451-L454 WeakPolarHBondContact O-CA 3.21Å; G451-L454 PolarHBondContact O-N 3.27Å; I452-L454 VanDerWaalsContact C-N 3.33Å; I452-L454 PolarHBondContact O-N 3.44Å; L454-Y457 PolarHBondContact O-N 3.12Å; L454-L458 WeakPolarHBondContact O-CG 3.39Å; L454-L458 PolarHBondContact O-N 3.48Å |
| 455 | C | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 169.8 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | L437 V440 G451 I452 Y457 L458 L459 L497 L500 | L437-C455 HydrophobicContact CD1-CB 4.5Å; V440-C455 WeakPolarHBondContact CG1-SG 3.42Å; G451-C455 PolarHBondContact O-N 2.94Å; G451-C455 PolarHBondContact O-SG 3.41Å; G451-C455 VanDerWaalsContact O-SG 3.41Å; I452-C455 PolarHBondContact O-N 3.03Å; C455-Y457 VanDerWaalsContact C-N 3.32Å; C455-Y457 PolarHBondContact O-N 3.24Å; C455-L458 PolarHBondContact O-N 3.05Å; C455-L459 WeakPolarHBondContact O-CB 3.47Å; C455-L459 VanDerWaalsContact O-CG 3.31Å; C455-L459 WeakPolarHBondContact O-CG 3.28Å; C455-L459 PolarHBondContact O-N 2.97Å; C455-L497 HydrophobicContact CB-CD1 4.08Å; C455-L500 HydrophobicContact CB-CD2 3.84Å |
| 456 | H | 94.4 | Very high | 93 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 34% | 0.338 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.4 | -49.7 | 174.5 | -171.3 | -73.2 | 0 | 0 | 0 | 111.3 | I452 L458 L459 E460 L500 | I452-H456 PolarHBondContact O-N 3.12Å; H456-L458 PolarHBondContact O-N 2.78Å; H456-L459 PolarHBondContact O-N 3.32Å; H456-E460 IonicContact CE1-OE2 3.84Å; H456-E460 PolarHBondContact CE1-OE2 3.23Å; H456-E460 IonicContact ND1-OE2 2.78Å; H456-E460 PolarHBondContact ND1-OE2 3.21Å; H456-E460 VanDerWaalsContact ND1-OE2 3.13Å; H456-E460 VanDerWaalsContact O-CB 3.25Å; H456-E460 WeakPolarHBondContact O-CB 3.37Å; H456-E460 PolarHBondContact O-N 3.32Å; H456-L500 HydrophobicContact CB-CD1 3.87Å |
| 457 | Y | 93.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | -177.2 | -168.5 | -86.3 | 0 | 0 | 0 | 112.3 | I413 K414 A417 R453 L454 C455 H461 | I413-Y457 HydrophobicContact CG2-CD1 4.08Å; I413-Y457 HydrophobicContact CG2-CE1 3.92Å; K414-Y457 HydrophobicContact CG-CE2 4.16Å; A417-Y457 HydrophobicContact CB-CE1 4.19Å; A417-Y457 WeakPolarHBondContact CB-OH 3.49Å; R453-Y457 WeakPolarHBondContact O-CB 2.98Å; R453-Y457 PolarHBondContact O-N 3.23Å; L454-Y457 PolarHBondContact O-N 3.12Å; C455-Y457 VanDerWaalsContact C-N 3.32Å; C455-Y457 PolarHBondContact O-N 3.24Å; Y457-H461 AromaticContact CD1-ND1 3.92Å; Y457-H461 AromaticContact CE1-CE1 3.47Å; Y457-H461 VanDerWaalsContact CE1-CE1 3.47Å; Y457-H461 WeakPolarHBondContact CE1-CE1 3.44Å; Y457-H461 AromaticContact CE1-ND1 3.72Å; Y457-H461 AromaticContact CE1-NE2 3.84Å; Y457-H461 AromaticContact CE2-CE1 3.55Å; Y457-H461 AromaticContact CZ-CE1 3.23Å; Y457-H461 AromaticContact CZ-ND1 3.95Å; Y457-H461 AromaticContact CZ-NE2 3.57Å; Y457-H461 PolarHBondContact O-N 2.97Å; Y457-H461 PolarHBondContact O-ND1 3.17Å; Y457-H461 PolarHBondContact OH-CE1 2.91Å; Y457-H461 PolarHBondContact OH-NE2 3.44Å |
| 458 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 176.2 | -70 | 174.4 | 0 | 0 | 0 | 111.8 | V426 P436 V440 L454 C455 H456 H461 G462 A463 | V426-L458 HydrophobicContact CG2-CD2 3.98Å; P436-L458 HydrophobicContact CB-CD1 4.36Å; V440-L458 HydrophobicContact CB-CD1 4.43Å; V440-L458 HydrophobicContact CG2-CD1 3.88Å; L454-L458 WeakPolarHBondContact O-CG 3.39Å; L454-L458 PolarHBondContact O-N 3.48Å; C455-L458 PolarHBondContact O-N 3.05Å; H456-L458 PolarHBondContact O-N 2.78Å; L458-H461 CarbonylContact O-C 3.48Å; L458-H461 PolarHBondContact O-N 2.81Å; L458-H461 VanDerWaalsContact O-N 3.15Å; L458-G462 PolarHBondContact O-N 3.16Å; L458-A463 VanDerWaalsContact C-CB 3.49Å; L458-A463 HydrophobicContact CB-CB 3.94Å; L458-A463 WeakPolarHBondContact O-CB 3.29Å; L458-A463 PolarHBondContact O-N 2.95Å |
| 459 | L | 95.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 178.4 | -70.4 | 168.6 | 0 | 0 | 0 | 112.4 | L437 C455 H456 H461 G462 A463 V465 L500 Y504 | L437-L459 HydrophobicContact CD1-CG 4.35Å; L437-L459 HydrophobicContact CD2-CD2 3.69Å; L437-L459 HydrophobicContact CD2-CG 4.39Å; C455-L459 WeakPolarHBondContact O-CB 3.47Å; C455-L459 VanDerWaalsContact O-CG 3.31Å; C455-L459 WeakPolarHBondContact O-CG 3.28Å; C455-L459 PolarHBondContact O-N 2.97Å; H456-L459 PolarHBondContact O-N 3.32Å; L459-H461 PolarHBondContact O-N 2.96Å; L459-G462 PolarHBondContact O-N 3.07Å; L459-G462 VanDerWaalsContact O-N 3.1Å; L459-A463 HydrophobicContact CD2-CB 4.49Å; L459-V465 HydrophobicContact CD2-CB 3.76Å; L459-V465 HydrophobicContact CD2-CG2 3.79Å; L459-L500 HydrophobicContact CD1-CD2 3.67Å; L459-L500 HydrophobicContact CD1-CG 4.5Å; L459-Y504 HydrophobicContact CB-CD1 3.74Å; L459-Y504 HydrophobicContact CB-CD2 4.17Å; L459-Y504 HydrophobicContact CB-CE1 3.79Å; L459-Y504 HydrophobicContact CB-CE2 4.23Å; L459-Y504 HydrophobicContact CB-CG 3.93Å; L459-Y504 HydrophobicContact CD1-CD2 3.88Å; L459-Y504 HydrophobicContact CD1-CE2 4.4Å; L459-Y504 HydrophobicContact CD1-CG 4.02Å; L459-Y504 HydrophobicContact CD2-CG 4.44Å; L459-Y504 HydrophobicContact CG-CG 4.36Å |
| 460 | E | 93.3 | Very high | 93.5 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -28.5 | 173.9 | -173.9 | 176.9 | 175.3 | 0 | 0 | 112.7 | H456 | H456-E460 IonicContact CE1-OE2 3.84Å; H456-E460 PolarHBondContact CE1-OE2 3.23Å; H456-E460 IonicContact ND1-OE2 2.78Å; H456-E460 PolarHBondContact ND1-OE2 3.21Å; H456-E460 VanDerWaalsContact ND1-OE2 3.13Å; H456-E460 VanDerWaalsContact O-CB 3.25Å; H456-E460 WeakPolarHBondContact O-CB 3.37Å; H456-E460 PolarHBondContact O-N 3.32Å |
| 461 | H | 92.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 20.5 | 176.2 | -65.9 | 66.6 | 0 | 0 | 0 | 113.5 | F422 Y457 L458 L459 | F422-H461 HydrophobicContact CD1-CB 4.06Å; F422-H461 HydrophobicContact CE1-CB 3.58Å; F422-H461 AromaticContact CE1-CD2 3.95Å; F422-H461 AromaticContact CE1-CG 3.93Å; Y457-H461 AromaticContact CD1-ND1 3.92Å; Y457-H461 AromaticContact CE1-CE1 3.47Å; Y457-H461 VanDerWaalsContact CE1-CE1 3.47Å; Y457-H461 WeakPolarHBondContact CE1-CE1 3.44Å; Y457-H461 AromaticContact CE1-ND1 3.72Å; Y457-H461 AromaticContact CE1-NE2 3.84Å; Y457-H461 AromaticContact CE2-CE1 3.55Å; Y457-H461 AromaticContact CZ-CE1 3.23Å; Y457-H461 AromaticContact CZ-ND1 3.95Å; Y457-H461 AromaticContact CZ-NE2 3.57Å; Y457-H461 PolarHBondContact O-N 2.97Å; Y457-H461 PolarHBondContact O-ND1 3.17Å; Y457-H461 PolarHBondContact OH-CE1 2.91Å; Y457-H461 PolarHBondContact OH-NE2 3.44Å; L458-H461 CarbonylContact O-C 3.48Å; L458-H461 PolarHBondContact O-N 2.81Å; L458-H461 VanDerWaalsContact O-N 3.15Å; L459-H461 PolarHBondContact O-N 2.96Å |
| 462 | G | 92.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 23.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N427 L458 L459 D464 | N427-G462 PolarHBondContact ND2-O 3.21Å; L458-G462 PolarHBondContact O-N 3.16Å; L459-G462 PolarHBondContact O-N 3.07Å; L459-G462 VanDerWaalsContact O-N 3.1Å; G462-D464 PolarHBondContact O-N 2.82Å |
| 463 | A | 95.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | trans | -59.5 | 128.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V426 N427 L437 L458 L459 V465 | V426-A463 HydrophobicContact CG2-CB 3.89Å; N427-A463 WeakPolarHBondContact OD1-CA 3.4Å; L437-A463 HydrophobicContact CB-CB 4.3Å; L437-A463 HydrophobicContact CD2-CB 4.16Å; L458-A463 VanDerWaalsContact C-CB 3.49Å; L458-A463 HydrophobicContact CB-CB 3.94Å; L458-A463 WeakPolarHBondContact O-CB 3.29Å; L458-A463 PolarHBondContact O-N 2.95Å; L459-A463 HydrophobicContact CD2-CB 4.49Å; A463-V465 PolarHBondContact O-N 3.05Å | ||
| 464 | D | 95.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | trans | -68.6 | 105.4 | 178.1 | 177.1 | 13 | 0 | 0 | 0 | 109.9 | N427 G462 N466 A467 | N427-D464 PolarHBondContact OD1-N 3.04Å; G462-D464 PolarHBondContact O-N 2.82Å; D464-N466 PolarHBondContact O-N 3.17Å; D464-N466 WeakPolarHBondContact OD1-CA 3.48Å; D464-N466 PolarHBondContact OD1-N 3.16Å; D464-A467 HydrophobicContact CB-CB 4.02Å; D464-A467 WeakPolarHBondContact O-CB 3.44Å; D464-A467 PolarHBondContact O-N 2.94Å; D464-A467 PolarHBondContact OD1-N 3.2Å; D464-A467 VanDerWaalsContact OD2-CA 3.28Å; D464-A467 WeakPolarHBondContact OD2-CA 3.38Å; D464-A467 PolarHBondContact OD2-N 2.98Å; D464-A467 VanDerWaalsContact OD2-N 3.16Å | ||
| 465 | V | 95.9 | Very high | 92 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.5 | 178.8 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | L459 A463 P479 I501 G506 | L459-V465 HydrophobicContact CD2-CB 3.76Å; L459-V465 HydrophobicContact CD2-CG2 3.79Å; A463-V465 PolarHBondContact O-N 3.05Å; V465-P479 WeakPolarHBondContact O-CD 3.1Å; V465-I501 HydrophobicContact CG2-CG2 3.8Å; V465-I501 WeakPolarHBondContact CG2-O 3.39Å; V465-G506 VanDerWaalsContact CG2-CA 3.48Å |
| 466 | N | 96.2 | Very high | 91.8 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 10.7 | -176.5 | -72.8 | -43.4 | 0 | 0 | 0 | 113 | D464 V468 G505 G506 R507 L512 | D464-N466 PolarHBondContact O-N 3.17Å; D464-N466 WeakPolarHBondContact OD1-CA 3.48Å; D464-N466 PolarHBondContact OD1-N 3.16Å; N466-V468 PolarHBondContact O-N 2.81Å; N466-G505 PolarHBondContact ND2-O 3.42Å; N466-G506 WeakPolarHBondContact OD1-CA 3.44Å; N466-R507 PolarHBondContact OD1-N 2.72Å; N466-L512 HydrophobicContact CB-CD1 4.08Å |
| 467 | A | 95.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | trans | -52.5 | 138.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T435 H438 D464 T478 P479 | T435-A467 HydrophobicContact CG2-CB 4.08Å; H438-A467 PolarHBondContact CE1-O 3.5Å; H438-A467 VanDerWaalsContact CE1-O 3.28Å; H438-A467 PolarHBondContact NE2-O 2.89Å; H438-A467 VanDerWaalsContact NE2-O 3.17Å; D464-A467 HydrophobicContact CB-CB 4.02Å; D464-A467 WeakPolarHBondContact O-CB 3.44Å; D464-A467 PolarHBondContact O-N 2.94Å; D464-A467 PolarHBondContact OD1-N 3.2Å; D464-A467 VanDerWaalsContact OD2-CA 3.28Å; D464-A467 WeakPolarHBondContact OD2-CA 3.38Å; D464-A467 PolarHBondContact OD2-N 2.98Å; D464-A467 VanDerWaalsContact OD2-N 3.16Å; A467-T478 WeakPolarHBondContact O-CA 3.34Å; A467-P479 VanDerWaalsContact O-CD 3.25Å; A467-P479 WeakPolarHBondContact O-CD 3.45Å | ||
| 468 | V | 94.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.376 | 25% | 0.246 | S | C | . | . | trans | -108.8 | 125.1 | -178.2 | -180 | 0 | 0 | 0 | 0 | 109.1 | N466 H476 T478 Y509 | N466-V468 PolarHBondContact O-N 2.81Å; V468-H476 HydrophobicContact CG1-CB 3.82Å; V468-T478 HydrophobicContact CG2-CG2 4.2Å; V468-Y509 HydrophobicContact CG1-CD2 3.82Å; V468-Y509 HydrophobicContact CG1-CE2 3.89Å; V468-Y509 HydrophobicContact CG2-CD2 4.03Å; V468-Y509 HydrophobicContact CG2-CE2 4.39Å | ||
| 469 | T | 93.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 169.9 | 173.2 | -157 | 0 | 0 | 0 | 0 | 112 | G433 H434 H438 H476 V477 | G433-T469 WeakPolarHBondContact O-CB 3.3Å; G433-T469 PolarHBondContact O-OG1 2.85Å; H434-T469 PolarHBondContact N-OG1 3.11Å; H434-T469 PolarHBondContact ND1-OG1 3Å; H438-T469 WeakPolarHBondContact CD2-CG2 3.3Å; H438-T469 WeakPolarHBondContact NE2-CB 3.26Å; H438-T469 WeakPolarHBondContact NE2-CG2 3.42Å; T469-H476 WeakPolarHBondContact O-CA 3.48Å; T469-V477 HydrophobicContact CG2-CG2 3.66Å; T469-V477 PolarHBondContact N-O 2.93Å; T469-V477 PolarHBondContact O-N 3.14Å |
| 470 | R | 89.7 | Confident | 91.9 | Very high | 119 Ų | 119 | 45.6 Ų | 45.6 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | -176.3 | -163.3 | 177 | -166.7 | -98.9 | 4.3 | 110.1 | H434 D474 E475 | H434-R470 PolarHBondContact CE1-O 3.2Å; R470-D474 IonicContact CZ-OD1 3.5Å; R470-D474 IonicContact CZ-OD2 2.95Å; R470-D474 IonicContact NH1-OD1 3.41Å; R470-D474 PolarHBondContact NH1-OD1 3.29Å; R470-D474 IonicContact NH1-OD2 3.47Å; R470-D474 IonicContact NH2-OD1 3.83Å; R470-D474 PolarHBondContact NH2-OD1 3.02Å; R470-D474 VanDerWaalsContact NH2-OD1 3.08Å; R470-D474 IonicContact NH2-OD2 3.41Å; R470-D474 PolarHBondContact NH2-OD2 3.3Å; R470-E475 CarbonylContact C-O 3.29Å; R470-E475 WeakPolarHBondContact CA-O 3.27Å |
| 471 | L | 87.3 | Confident | 92 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -81.3 | 162 | 173.1 | -69.1 | -175.4 | 0 | 0 | 0 | 111.2 | N473 D474 E475 V477 L482 Y804 | L471-N473 WeakPolarHBondContact CB-OD1 3.46Å; L471-N473 PolarHBondContact O-N 2.92Å; L471-N473 VanDerWaalsContact O-N 3.12Å; L471-D474 PolarHBondContact O-N 3.42Å; L471-E475 HydrophobicContact CB-CB 4.42Å; L471-E475 HydrophobicContact CD1-CB 4.34Å; L471-E475 PolarHBondContact N-O 3.06Å; L471-V477 HydrophobicContact CD1-CG1 3.66Å; L471-V477 HydrophobicContact CD1-CG2 4.34Å; L471-V477 HydrophobicContact CD2-CG2 3.93Å; L471-V477 HydrophobicContact CG-CG1 3.96Å; L471-V477 HydrophobicContact CG-CG2 3.81Å; L471-L482 HydrophobicContact CD2-CD2 4.42Å; L471-Y804 HydrophobicContact CD2-CD1 3.36Å; L471-Y804 HydrophobicContact CD2-CE1 3.44Å; L471-Y804 VanDerWaalsContact CD2-CE1 3.44Å; L471-Y804 HydrophobicContact CD2-CG 4.39Å | ||
| 472 | P | 82.8 | Confident | 92 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.5 | 177.8 | -24.1 | 34.3 | 0 | 0 | 0 | 115.4 | D474 V808 | P472-D474 VanDerWaalsContact C-N 3.3Å; P472-V808 HydrophobicContact CB-CG2 4.01Å |
| 473 | N | 84.6 | Confident | 92.1 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 15.2 | 174.3 | 65.9 | -12.2 | 0 | 0 | 0 | 112.9 | L471 E475 P807 | L471-N473 WeakPolarHBondContact CB-OD1 3.46Å; L471-N473 PolarHBondContact O-N 2.92Å; L471-N473 VanDerWaalsContact O-N 3.12Å; N473-E475 WeakPolarHBondContact ND2-CG 3.46Å; N473-E475 PolarHBondContact ND2-OE2 2.88Å; N473-E475 PolarHBondContact O-N 3.19Å; N473-E475 WeakPolarHBondContact OD1-CB 3.33Å; N473-E475 PolarHBondContact OD1-N 3.26Å; N473-P807 HydrophobicContact CB-CB 4.47Å; N473-P807 VanDerWaalsContact ND2-CB 3.35Å; N473-P807 WeakPolarHBondContact ND2-CB 3.33Å |
| 474 | D | 82.6 | Confident | 91.9 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 67.4 | 6.6 | -176.8 | -65.5 | 1.1 | 0 | 0 | 0 | 115.4 | R470 L471 P472 | R470-D474 IonicContact CZ-OD1 3.5Å; R470-D474 IonicContact CZ-OD2 2.95Å; R470-D474 IonicContact NH1-OD1 3.41Å; R470-D474 PolarHBondContact NH1-OD1 3.29Å; R470-D474 IonicContact NH1-OD2 3.47Å; R470-D474 IonicContact NH2-OD1 3.83Å; R470-D474 PolarHBondContact NH2-OD1 3.02Å; R470-D474 VanDerWaalsContact NH2-OD1 3.08Å; R470-D474 IonicContact NH2-OD2 3.41Å; R470-D474 PolarHBondContact NH2-OD2 3.3Å; L471-D474 PolarHBondContact O-N 3.42Å; P472-D474 VanDerWaalsContact C-N 3.3Å |
| 475 | E | 88.2 | Confident | 91.7 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | trans | -75.8 | 143.9 | 175.7 | -68.2 | 179.4 | 158.1 | 0 | 0 | 112.6 | R470 L471 N473 | R470-E475 CarbonylContact C-O 3.29Å; R470-E475 WeakPolarHBondContact CA-O 3.27Å; L471-E475 HydrophobicContact CB-CB 4.42Å; L471-E475 HydrophobicContact CD1-CB 4.34Å; L471-E475 PolarHBondContact N-O 3.06Å; N473-E475 WeakPolarHBondContact ND2-CG 3.46Å; N473-E475 PolarHBondContact ND2-OE2 2.88Å; N473-E475 PolarHBondContact O-N 3.19Å; N473-E475 WeakPolarHBondContact OD1-CB 3.33Å; N473-E475 PolarHBondContact OD1-N 3.26Å | ||
| 476 | H | 91 | Very high | 91.3 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.9 | 174 | -73.4 | -79.4 | 0 | 0 | 0 | 111.1 | V468 T469 Y509 | V468-H476 HydrophobicContact CG1-CB 3.82Å; T469-H476 WeakPolarHBondContact O-CA 3.48Å; H476-Y509 HydrophobicContact CB-CD1 3.97Å; H476-Y509 HydrophobicContact CB-CD2 3.79Å; H476-Y509 HydrophobicContact CB-CE1 3.74Å; H476-Y509 HydrophobicContact CB-CE2 3.54Å; H476-Y509 HydrophobicContact CB-CG 4Å |
| 477 | V | 93.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.3 | -178.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | T469 L471 N481 L482 | T469-V477 HydrophobicContact CG2-CG2 3.66Å; T469-V477 PolarHBondContact N-O 2.93Å; T469-V477 PolarHBondContact O-N 3.14Å; L471-V477 HydrophobicContact CD1-CG1 3.66Å; L471-V477 HydrophobicContact CD1-CG2 4.34Å; L471-V477 HydrophobicContact CD2-CG2 3.93Å; L471-V477 HydrophobicContact CG-CG1 3.96Å; L471-V477 HydrophobicContact CG-CG2 3.81Å; V477-N481 HydrophobicContact CB-CB 3.81Å; V477-N481 HydrophobicContact CG1-CB 4.08Å; V477-L482 HydrophobicContact CG2-CD2 3.99Å; V477-L482 HydrophobicContact CG2-CG 4.1Å |
| 478 | T | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -96.1 | 169.8 | 167.6 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | A467 V468 L480 N481 L482 R507 L512 | A467-T478 WeakPolarHBondContact O-CA 3.34Å; V468-T478 HydrophobicContact CG2-CG2 4.2Å; T478-L480 PolarHBondContact O-N 2.83Å; T478-L480 PolarHBondContact OG1-N 3.13Å; T478-N481 WeakPolarHBondContact O-CB 3.15Å; T478-N481 PolarHBondContact O-N 3.45Å; T478-N481 PolarHBondContact OG1-N 3.35Å; T478-N481 PolarHBondContact OG1-OD1 2.8Å; T478-L482 PolarHBondContact O-N 3.38Å; T478-L482 VanDerWaalsContact O-N 3.09Å; T478-R507 PolarHBondContact OG1-O 3.1Å; T478-L512 HydrophobicContact CG2-CD1 3.72Å | ||
| 479 | P | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.2 | -35 | 168.1 | -28.6 | 36 | 0 | 0 | 0 | 113.2 | L437 V441 V465 A467 L482 A483 | L437-P479 HydrophobicContact CD2-CB 4.1Å; L437-P479 HydrophobicContact CD2-CG 3.82Å; L437-P479 HydrophobicContact CG-CB 4.15Å; L437-P479 HydrophobicContact CG-CG 4.05Å; V441-P479 WeakPolarHBondContact CG1-O 3.25Å; V441-P479 HydrophobicContact CG2-CB 4.45Å; V465-P479 WeakPolarHBondContact O-CD 3.1Å; A467-P479 VanDerWaalsContact O-CD 3.25Å; A467-P479 WeakPolarHBondContact O-CD 3.45Å; P479-L482 PolarHBondContact O-N 3.05Å; P479-A483 PolarHBondContact O-N 3.19Å |
| 480 | L | 95.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.5 | -174.2 | 60.1 | 0 | 0 | 0 | 112.5 | T478 L482 A483 Y484 I498 I501 K502 G506 T508 | T478-L480 PolarHBondContact O-N 2.83Å; T478-L480 PolarHBondContact OG1-N 3.13Å; L480-L482 VanDerWaalsContact C-N 3.35Å; L480-A483 PolarHBondContact O-N 2.8Å; L480-Y484 HydrophobicContact CD1-CD2 4.4Å; L480-Y484 HydrophobicContact CD1-CE2 3.97Å; L480-Y484 HydrophobicContact CD2-CE2 4.16Å; L480-Y484 HydrophobicContact CG-CD2 4.16Å; L480-Y484 HydrophobicContact CG-CE2 3.75Å; L480-Y484 WeakPolarHBondContact O-CD2 3.42Å; L480-Y484 PolarHBondContact O-N 3.45Å; L480-I498 HydrophobicContact CD1-CG2 4.05Å; L480-I501 HydrophobicContact CB-CG2 3.83Å; L480-I501 HydrophobicContact CD1-CB 4.31Å; L480-I501 HydrophobicContact CD1-CG2 3.97Å; L480-I501 HydrophobicContact CG-CG2 4.44Å; L480-K502 HydrophobicContact CD1-CG 4.07Å; L480-K502 HydrophobicContact CD2-CG 4.07Å; L480-G506 WeakPolarHBondContact CD2-O 3.29Å; L480-T508 HydrophobicContact CD2-CG2 3.97Å; L480-T508 HydrophobicContact CG-CG2 4.25Å |
| 481 | N | 94.7 | Very high | 89.1 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 172.5 | -79.4 | 93.8 | 0 | 0 | 0 | 111.3 | V477 T478 A483 Y484 L485 T508 Y509 | V477-N481 HydrophobicContact CB-CB 3.81Å; V477-N481 HydrophobicContact CG1-CB 4.08Å; T478-N481 WeakPolarHBondContact O-CB 3.15Å; T478-N481 PolarHBondContact O-N 3.45Å; T478-N481 PolarHBondContact OG1-N 3.35Å; T478-N481 PolarHBondContact OG1-OD1 2.8Å; N481-A483 VanDerWaalsContact C-N 3.31Å; N481-A483 PolarHBondContact O-N 3.07Å; N481-Y484 PolarHBondContact O-N 3.5Å; N481-L485 WeakPolarHBondContact O-CG 3.45Å; N481-L485 PolarHBondContact O-N 3.38Å; N481-T508 WeakPolarHBondContact OD1-CA 3.46Å; N481-Y509 PolarHBondContact OD1-N 3.48Å |
| 482 | L | 93.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 177.2 | -68 | 173.6 | 0 | 0 | 0 | 112.6 | H438 V441 A442 L471 V477 T478 P479 L480 Y484 L485 N486 | H438-L482 HydrophobicContact CB-CD1 3.97Å; V441-L482 HydrophobicContact CG1-CB 3.88Å; A442-L482 HydrophobicContact CB-CD1 4.21Å; A442-L482 HydrophobicContact CB-CD2 4.35Å; L471-L482 HydrophobicContact CD2-CD2 4.42Å; V477-L482 HydrophobicContact CG2-CD2 3.99Å; V477-L482 HydrophobicContact CG2-CG 4.1Å; T478-L482 PolarHBondContact O-N 3.38Å; T478-L482 VanDerWaalsContact O-N 3.09Å; P479-L482 PolarHBondContact O-N 3.05Å; L480-L482 VanDerWaalsContact C-N 3.35Å; L482-Y484 PolarHBondContact O-N 2.89Å; L482-L485 PolarHBondContact O-N 3.34Å; L482-N486 PolarHBondContact O-N 3.43Å |
| 483 | A | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V441 P479 L480 N481 K494 L497 I498 I501 | V441-A483 HydrophobicContact CG1-CB 3.86Å; P479-A483 PolarHBondContact O-N 3.19Å; L480-A483 PolarHBondContact O-N 2.8Å; N481-A483 VanDerWaalsContact C-N 3.31Å; N481-A483 PolarHBondContact O-N 3.07Å; A483-K494 WeakPolarHBondContact O-CE 3.46Å; A483-L497 HydrophobicContact CB-CD2 4.44Å; A483-L497 HydrophobicContact CB-CG 4.38Å; A483-I498 HydrophobicContact CB-CG1 3.83Å; A483-I501 HydrophobicContact CB-CD1 3.73Å |
| 484 | Y | 92.7 | Very high | 90 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 37% | 0.373 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 172.3 | -73.8 | -61.9 | 0 | 0 | 0 | 112.8 | L480 N481 L482 N486 K494 I498 K502 T508 | L480-Y484 HydrophobicContact CD1-CD2 4.4Å; L480-Y484 HydrophobicContact CD1-CE2 3.97Å; L480-Y484 HydrophobicContact CD2-CE2 4.16Å; L480-Y484 HydrophobicContact CG-CD2 4.16Å; L480-Y484 HydrophobicContact CG-CE2 3.75Å; L480-Y484 WeakPolarHBondContact O-CD2 3.42Å; L480-Y484 PolarHBondContact O-N 3.45Å; N481-Y484 PolarHBondContact O-N 3.5Å; L482-Y484 PolarHBondContact O-N 2.89Å; Y484-N486 PolarHBondContact O-N 3.02Å; Y484-K494 VanDerWaalsContact O-CE 3.27Å; Y484-K494 WeakPolarHBondContact O-CE 3.35Å; Y484-K494 PolarHBondContact O-NZ 2.94Å; Y484-I498 HydrophobicContact CD1-CD1 3.63Å; Y484-I498 HydrophobicContact CD1-CG1 4.35Å; Y484-I498 HydrophobicContact CE1-CD1 3.88Å; Y484-I498 HydrophobicContact CE1-CG1 4.46Å; Y484-I498 HydrophobicContact CE1-CG2 3.98Å; Y484-I498 HydrophobicContact CG-CD1 4.43Å; Y484-K502 WeakPolarHBondContact OH-CE 3.45Å; Y484-K502 PolarHBondContact OH-NZ 3Å; Y484-T508 HydrophobicContact CD2-CG2 4.34Å; Y484-T508 HydrophobicContact CE2-CG2 3.89Å |
| 485 | L | 89.8 | Confident | 90.5 | Very high | 82 Ų | 82 | 53 Ų | 53 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.9 | 178.2 | -69.4 | 172.2 | 0 | 0 | 0 | 114.1 | N481 L482 E487 | N481-L485 WeakPolarHBondContact O-CG 3.45Å; N481-L485 PolarHBondContact O-N 3.38Å; L482-L485 PolarHBondContact O-N 3.34Å; L485-E487 PolarHBondContact O-N 3.45Å |
| 486 | N | 86.9 | Confident | 90.8 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -71.9 | 119.8 | 179.5 | -166.2 | -17.7 | 0 | 0 | 0 | 111.8 | S446 L482 Y484 T488 K494 | S446-N486 PolarHBondContact OG-ND2 2.91Å; L482-N486 PolarHBondContact O-N 3.43Å; Y484-N486 PolarHBondContact O-N 3.02Å; N486-T488 VanDerWaalsContact C-N 3.29Å; N486-T488 PolarHBondContact O-N 3.06Å; N486-T488 WeakPolarHBondContact OD1-CG2 3.01Å; N486-T488 PolarHBondContact OD1-N 3.2Å; N486-K494 WeakPolarHBondContact O-CD 3.17Å; N486-K494 WeakPolarHBondContact O-CE 3.29Å; N486-K494 PolarHBondContact O-NZ 3.44Å | ||
| 487 | E | 82.9 | Confident | 90.9 | Very high | 109 Ų | 109 | 48.9 Ų | 48.9 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | trans | -85.7 | 23 | -176 | -61 | -167.1 | 154.1 | 0 | 0 | 115 | L485 N489 Q806 L814 | L485-E487 PolarHBondContact O-N 3.45Å; E487-N489 PolarHBondContact O-N 3.27Å; E487-Q806 PolarHBondContact OE1-NE2 3.27Å; E487-Q806 PolarHBondContact OE2-NE2 2.91Å; E487-L814 WeakPolarHBondContact OE2-CD1 3.39Å | ||
| 488 | T | 83.5 | Confident | 91 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | trans | -65.7 | 126.7 | 179 | 57.7 | 0 | 0 | 0 | 0 | 112 | T447 N486 D490 | T447-T488 HydrophobicContact CG2-CG2 4.18Å; T447-T488 WeakPolarHBondContact OG1-CG2 3.26Å; N486-T488 VanDerWaalsContact C-N 3.29Å; N486-T488 PolarHBondContact O-N 3.06Å; N486-T488 WeakPolarHBondContact OD1-CG2 3.01Å; N486-T488 PolarHBondContact OD1-N 3.2Å; T488-D490 PolarHBondContact O-N 2.94Å | ||
| 489 | N | 82.4 | Confident | 91 | Very high | 170 Ų | 170 | 53 Ų | 53 | 91% | 0.909 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -55.4 | -19 | 174.7 | -64.4 | -56.6 | 0 | 0 | 0 | 114.9 | E487 E491 | E487-N489 PolarHBondContact O-N 3.27Å; N489-E491 PolarHBondContact O-N 3.35Å |
| 490 | D | 86.1 | Confident | 91 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -88.2 | 82.8 | 175.9 | -175.2 | 2.5 | 0 | 0 | 0 | 110.7 | T488 T492 S493 K494 | T488-D490 PolarHBondContact O-N 2.94Å; D490-T492 PolarHBondContact O-N 2.8Å; D490-T492 WeakPolarHBondContact OD1-CA 3.28Å; D490-T492 WeakPolarHBondContact OD1-CB 3.37Å; D490-T492 PolarHBondContact OD1-N 3.01Å; D490-T492 PolarHBondContact OD1-OG1 3.17Å; D490-S493 PolarHBondContact O-N 3.48Å; D490-S493 PolarHBondContact OD1-N 3.5Å; D490-S493 VanDerWaalsContact OD1-N 3.15Å; D490-S493 VanDerWaalsContact OD2-CB 3.23Å; D490-S493 WeakPolarHBondContact OD2-CB 3.11Å; D490-S493 PolarHBondContact OD2-OG 3.2Å; D490-K494 WeakPolarHBondContact O-CB 3.22Å; D490-K494 PolarHBondContact O-N 3.02Å | ||
| 491 | E | 88.8 | Confident | 91 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.8 | -26.2 | 173 | -77.9 | -61.9 | 151.8 | 0 | 0 | 112.9 | N489 K494 N495 | N489-E491 PolarHBondContact O-N 3.35Å; E491-K494 IonicContact OE1-NZ 3.05Å; E491-N495 VanDerWaalsContact O-CB 3.3Å; E491-N495 WeakPolarHBondContact O-CB 3.33Å; E491-N495 PolarHBondContact O-N 2.92Å; E491-N495 PolarHBondContact O-ND2 3.33Å; E491-N495 PolarHBondContact OE2-ND2 2.93Å |
| 492 | T | 91.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.6 | -46.6 | 178.9 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | D490 N495 L496 | D490-T492 PolarHBondContact O-N 2.8Å; D490-T492 WeakPolarHBondContact OD1-CA 3.28Å; D490-T492 WeakPolarHBondContact OD1-CB 3.37Å; D490-T492 PolarHBondContact OD1-N 3.01Å; D490-T492 PolarHBondContact OD1-OG1 3.17Å; T492-N495 PolarHBondContact O-N 2.9Å; T492-L496 WeakPolarHBondContact O-CG 3.33Å; T492-L496 PolarHBondContact O-N 3.44Å |
| 493 | S | 89.9 | Confident | 91.1 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -33.6 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | T447 D490 L496 L497 | T447-S493 WeakPolarHBondContact O-CB 3.36Å; D490-S493 PolarHBondContact O-N 3.48Å; D490-S493 PolarHBondContact OD1-N 3.5Å; D490-S493 VanDerWaalsContact OD1-N 3.15Å; D490-S493 VanDerWaalsContact OD2-CB 3.23Å; D490-S493 WeakPolarHBondContact OD2-CB 3.11Å; D490-S493 PolarHBondContact OD2-OG 3.2Å; S493-L496 PolarHBondContact O-N 3.35Å; S493-L497 PolarHBondContact O-N 2.9Å; S493-L497 VanDerWaalsContact O-N 3.09Å |
| 494 | K | 91.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 170.2 | -176.2 | 178 | 174.3 | 173.9 | 0 | 111.9 | T447 A483 Y484 N486 D490 E491 L496 L497 I498 | T447-K494 HydrophobicContact CG2-CB 4.17Å; A483-K494 WeakPolarHBondContact O-CE 3.46Å; Y484-K494 VanDerWaalsContact O-CE 3.27Å; Y484-K494 WeakPolarHBondContact O-CE 3.35Å; Y484-K494 PolarHBondContact O-NZ 2.94Å; N486-K494 WeakPolarHBondContact O-CD 3.17Å; N486-K494 WeakPolarHBondContact O-CE 3.29Å; N486-K494 PolarHBondContact O-NZ 3.44Å; D490-K494 WeakPolarHBondContact O-CB 3.22Å; D490-K494 PolarHBondContact O-N 3.02Å; E491-K494 IonicContact OE1-NZ 3.05Å; K494-L496 VanDerWaalsContact C-N 3.33Å; K494-L496 PolarHBondContact O-N 3.08Å; K494-L497 PolarHBondContact O-N 3.19Å; K494-I498 HydrophobicContact CG-CD1 3.89Å; K494-I498 WeakPolarHBondContact O-CG1 3.33Å; K494-I498 PolarHBondContact O-N 3.42Å |
| 495 | N | 93.5 | Very high | 91.3 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66 | -32.8 | 176.7 | -79.6 | -67.9 | 0 | 0 | 0 | 112.7 | E491 T492 I498 N499 | E491-N495 VanDerWaalsContact O-CB 3.3Å; E491-N495 WeakPolarHBondContact O-CB 3.33Å; E491-N495 PolarHBondContact O-N 2.92Å; E491-N495 PolarHBondContact O-ND2 3.33Å; E491-N495 PolarHBondContact OE2-ND2 2.93Å; T492-N495 PolarHBondContact O-N 2.9Å; N495-I498 PolarHBondContact O-N 3.43Å; N495-N499 VanDerWaalsContact O-CB 3.24Å; N495-N499 WeakPolarHBondContact O-CB 3.45Å; N495-N499 PolarHBondContact O-N 3.44Å; N495-N499 PolarHBondContact O-ND2 3.39Å |
| 496 | L | 94 | Very high | 91.6 | Very high | 104 Ų | 104 | 60.9 Ų | 60.9 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 171 | -73.2 | 173 | 0 | 0 | 0 | 112.2 | I452 T492 S493 K494 L500 | I452-L496 HydrophobicContact CD1-CB 4.05Å; T492-L496 WeakPolarHBondContact O-CG 3.33Å; T492-L496 PolarHBondContact O-N 3.44Å; S493-L496 PolarHBondContact O-N 3.35Å; K494-L496 VanDerWaalsContact C-N 3.33Å; K494-L496 PolarHBondContact O-N 3.08Å; L496-L500 VanDerWaalsContact O-CB 3.3Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 PolarHBondContact O-N 3.11Å |
| 497 | L | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 175.8 | 178.5 | 61.3 | 0 | 0 | 0 | 112.1 | V441 S446 T447 I452 C455 A483 S493 K494 L500 I501 | V441-L497 HydrophobicContact CG1-CD2 4.4Å; S446-L497 WeakPolarHBondContact OG-CD2 3.3Å; T447-L497 HydrophobicContact CG2-CD2 4.07Å; I452-L497 HydrophobicContact CG1-CB 4.38Å; C455-L497 HydrophobicContact CB-CD1 4.08Å; A483-L497 HydrophobicContact CB-CD2 4.44Å; A483-L497 HydrophobicContact CB-CG 4.38Å; S493-L497 PolarHBondContact O-N 2.9Å; S493-L497 VanDerWaalsContact O-N 3.09Å; K494-L497 PolarHBondContact O-N 3.19Å; L497-L500 PolarHBondContact O-N 3.44Å; L497-I501 HydrophobicContact CD1-CD1 4.1Å; L497-I501 HydrophobicContact CG-CD1 4.19Å; L497-I501 WeakPolarHBondContact O-CG1 3.29Å; L497-I501 PolarHBondContact O-N 2.86Å |
| 498 | I | 95.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.8 | -71 | 164.8 | 0 | 0 | 0 | 111.1 | L480 A483 Y484 K494 N495 I501 K502 | L480-I498 HydrophobicContact CD1-CG2 4.05Å; A483-I498 HydrophobicContact CB-CG1 3.83Å; Y484-I498 HydrophobicContact CD1-CD1 3.63Å; Y484-I498 HydrophobicContact CD1-CG1 4.35Å; Y484-I498 HydrophobicContact CE1-CD1 3.88Å; Y484-I498 HydrophobicContact CE1-CG1 4.46Å; Y484-I498 HydrophobicContact CE1-CG2 3.98Å; Y484-I498 HydrophobicContact CG-CD1 4.43Å; K494-I498 HydrophobicContact CG-CD1 3.89Å; K494-I498 WeakPolarHBondContact O-CG1 3.33Å; K494-I498 PolarHBondContact O-N 3.42Å; N495-I498 PolarHBondContact O-N 3.43Å; I498-I501 PolarHBondContact O-N 3.19Å; I498-K502 HydrophobicContact CG2-CD 4.16Å; I498-K502 WeakPolarHBondContact O-CG 3.41Å; I498-K502 PolarHBondContact O-N 2.8Å |
| 499 | N | 95.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 179.9 | -72.2 | -21.2 | 0 | 0 | 0 | 111.9 | N495 K502 Q503 | N495-N499 VanDerWaalsContact O-CB 3.24Å; N495-N499 WeakPolarHBondContact O-CB 3.45Å; N495-N499 PolarHBondContact O-N 3.44Å; N495-N499 PolarHBondContact O-ND2 3.39Å; N499-K502 PolarHBondContact O-N 3.01Å; N499-Q503 VanDerWaalsContact O-CB 3.32Å; N499-Q503 WeakPolarHBondContact O-CB 3.23Å; N499-Q503 PolarHBondContact O-N 2.77Å |
| 500 | L | 95.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 173.6 | 177 | 130.1 | 0 | 0 | 0 | 111.7 | I452 C455 H456 L459 L496 L497 K502 Q503 Y504 | I452-L500 HydrophobicContact CG2-CD1 4.15Å; C455-L500 HydrophobicContact CB-CD2 3.84Å; H456-L500 HydrophobicContact CB-CD1 3.87Å; L459-L500 HydrophobicContact CD1-CD2 3.67Å; L459-L500 HydrophobicContact CD1-CG 4.5Å; L496-L500 VanDerWaalsContact O-CB 3.3Å; L496-L500 WeakPolarHBondContact O-CB 3.49Å; L496-L500 PolarHBondContact O-N 3.11Å; L497-L500 PolarHBondContact O-N 3.44Å; L500-K502 PolarHBondContact O-N 3.49Å; L500-Q503 WeakPolarHBondContact O-CB 3.41Å; L500-Q503 PolarHBondContact O-N 3.41Å; L500-Y504 WeakPolarHBondContact O-CD2 3.4Å; L500-Y504 PolarHBondContact O-N 3.2Å |
| 501 | I | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.2 | -67.8 | 167 | 0 | 0 | 0 | 110.7 | V441 V465 L480 A483 L497 I498 Q503 Y504 G506 | V441-I501 HydrophobicContact CG1-CD1 4.14Å; V441-I501 HydrophobicContact CG2-CD1 3.88Å; V465-I501 HydrophobicContact CG2-CG2 3.8Å; V465-I501 WeakPolarHBondContact CG2-O 3.39Å; L480-I501 HydrophobicContact CB-CG2 3.83Å; L480-I501 HydrophobicContact CD1-CB 4.31Å; L480-I501 HydrophobicContact CD1-CG2 3.97Å; L480-I501 HydrophobicContact CG-CG2 4.44Å; A483-I501 HydrophobicContact CB-CD1 3.73Å; L497-I501 HydrophobicContact CD1-CD1 4.1Å; L497-I501 HydrophobicContact CG-CD1 4.19Å; L497-I501 WeakPolarHBondContact O-CG1 3.29Å; L497-I501 PolarHBondContact O-N 2.86Å; I498-I501 PolarHBondContact O-N 3.19Å; I501-Q503 PolarHBondContact O-N 3.49Å; I501-Y504 PolarHBondContact O-N 3.14Å; I501-G506 WeakPolarHBondContact O-CA 3.42Å; I501-G506 PolarHBondContact O-N 3.12Å |
| 502 | K | 95.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 59 Ų | 59 | 39% | 0.391 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 174.7 | -73.5 | 176.8 | -179.7 | 175.6 | 0 | 113.4 | L480 Y484 I498 N499 L500 Y504 G505 | L480-K502 HydrophobicContact CD1-CG 4.07Å; L480-K502 HydrophobicContact CD2-CG 4.07Å; Y484-K502 WeakPolarHBondContact OH-CE 3.45Å; Y484-K502 PolarHBondContact OH-NZ 3Å; I498-K502 HydrophobicContact CG2-CD 4.16Å; I498-K502 WeakPolarHBondContact O-CG 3.41Å; I498-K502 PolarHBondContact O-N 2.8Å; N499-K502 PolarHBondContact O-N 3.01Å; L500-K502 PolarHBondContact O-N 3.49Å; K502-Y504 PolarHBondContact O-N 2.98Å; K502-G505 PolarHBondContact O-N 2.62Å |
| 503 | Q | 95.1 | Very high | 93.3 | Very high | 149 Ų | 149 | 55.6 Ų | 55.6 | 70% | 0.696 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.1 | -35 | 178.8 | 179 | -177 | -16.2 | 0 | 0 | 111.9 | N499 L500 I501 G505 | N499-Q503 VanDerWaalsContact O-CB 3.32Å; N499-Q503 WeakPolarHBondContact O-CB 3.23Å; N499-Q503 PolarHBondContact O-N 2.77Å; L500-Q503 WeakPolarHBondContact O-CB 3.41Å; L500-Q503 PolarHBondContact O-N 3.41Å; I501-Q503 PolarHBondContact O-N 3.49Å; Q503-G505 PolarHBondContact O-N 2.99Å |
| 504 | Y | 96.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 7 | 174.5 | -79.6 | -97.5 | 0 | 0 | 0 | 113.7 | L459 L500 I501 K502 | L459-Y504 HydrophobicContact CB-CD1 3.74Å; L459-Y504 HydrophobicContact CB-CD2 4.17Å; L459-Y504 HydrophobicContact CB-CE1 3.79Å; L459-Y504 HydrophobicContact CB-CE2 4.23Å; L459-Y504 HydrophobicContact CB-CG 3.93Å; L459-Y504 HydrophobicContact CD1-CD2 3.88Å; L459-Y504 HydrophobicContact CD1-CE2 4.4Å; L459-Y504 HydrophobicContact CD1-CG 4.02Å; L459-Y504 HydrophobicContact CD2-CG 4.44Å; L459-Y504 HydrophobicContact CG-CG 4.36Å; L500-Y504 WeakPolarHBondContact O-CD2 3.4Å; L500-Y504 PolarHBondContact O-N 3.2Å; I501-Y504 PolarHBondContact O-N 3.14Å; K502-Y504 PolarHBondContact O-N 2.98Å |
| 505 | G | 93.7 | Very high | 92.6 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 16.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N466 K502 Q503 | N466-G505 PolarHBondContact ND2-O 3.42Å; K502-G505 PolarHBondContact O-N 2.62Å; Q503-G505 PolarHBondContact O-N 2.99Å |
| 506 | G | 94.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | -63 | 132.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V465 N466 L480 I501 | V465-G506 VanDerWaalsContact CG2-CA 3.48Å; N466-G506 WeakPolarHBondContact OD1-CA 3.44Å; L480-G506 WeakPolarHBondContact CD2-O 3.29Å; I501-G506 WeakPolarHBondContact O-CA 3.42Å; I501-G506 PolarHBondContact O-N 3.12Å | ||
| 507 | R | 94.3 | Very high | 90.9 | Very high | 102 Ų | 102 | 68 Ų | 68 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -125.1 | 156.9 | -178.9 | -68.7 | 175.9 | -173.4 | -179.9 | -3.9 | 110.4 | N466 T478 E511 L512 E515 | N466-R507 PolarHBondContact OD1-N 2.72Å; T478-R507 PolarHBondContact OG1-O 3.1Å; R507-E511 VanDerWaalsContact CA-OE2 3.23Å; R507-E511 WeakPolarHBondContact CA-OE2 3.38Å; R507-E511 HydrophobicContact CB-CB 4.21Å; R507-E511 WeakPolarHBondContact CB-OE2 3.42Å; R507-L512 HydrophobicContact CB-CD2 4.01Å; R507-L512 HydrophobicContact CB-CG 3.95Å; R507-E515 IonicContact CZ-OE1 3.45Å; R507-E515 IonicContact CZ-OE2 3.77Å; R507-E515 IonicContact NH1-OE1 2.68Å; R507-E515 PolarHBondContact NH1-OE1 2.99Å; R507-E515 IonicContact NH1-OE2 2.7Å; R507-E515 PolarHBondContact NH1-OE2 3.48Å; R507-E515 IonicContact NH2-OE1 3.97Å | ||
| 508 | T | 93.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | trans | -75.5 | 154.6 | 170.9 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | L480 N481 Y484 Q510 E511 L512 | L480-T508 HydrophobicContact CD2-CG2 3.97Å; L480-T508 HydrophobicContact CG-CG2 4.25Å; N481-T508 WeakPolarHBondContact OD1-CA 3.46Å; Y484-T508 HydrophobicContact CD2-CG2 4.34Å; Y484-T508 HydrophobicContact CE2-CG2 3.89Å; T508-Q510 PolarHBondContact O-N 2.86Å; T508-E511 WeakPolarHBondContact CB-OE1 3.46Å; T508-E511 VanDerWaalsContact CG2-OE1 3.28Å; T508-E511 WeakPolarHBondContact CG2-OE1 3.13Å; T508-E511 PolarHBondContact N-OE2 3.35Å; T508-E511 WeakPolarHBondContact O-CB 3.39Å; T508-E511 PolarHBondContact O-N 3.32Å; T508-E511 VanDerWaalsContact O-N 3.12Å; T508-E511 WeakPolarHBondContact OG1-CG 3.35Å; T508-E511 PolarHBondContact OG1-N 3.41Å; T508-E511 PolarHBondContact OG1-OE1 2.96Å; T508-L512 PolarHBondContact O-N 3.38Å; T508-L512 VanDerWaalsContact O-N 3.1Å | ||
| 509 | Y | 92.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56 | -34.1 | 174.8 | 179.3 | -102.6 | 0 | 0 | 0 | 112.1 | V468 H476 N481 L512 S513 | V468-Y509 HydrophobicContact CG1-CD2 3.82Å; V468-Y509 HydrophobicContact CG1-CE2 3.89Å; V468-Y509 HydrophobicContact CG2-CD2 4.03Å; V468-Y509 HydrophobicContact CG2-CE2 4.39Å; H476-Y509 HydrophobicContact CB-CD1 3.97Å; H476-Y509 HydrophobicContact CB-CD2 3.79Å; H476-Y509 HydrophobicContact CB-CE1 3.74Å; H476-Y509 HydrophobicContact CB-CE2 3.54Å; H476-Y509 HydrophobicContact CB-CG 4Å; N481-Y509 PolarHBondContact OD1-N 3.48Å; Y509-L512 PolarHBondContact O-N 2.9Å; Y509-S513 VanDerWaalsContact O-CB 3.28Å; Y509-S513 WeakPolarHBondContact O-CB 3.4Å; Y509-S513 PolarHBondContact O-N 3.32Å; Y509-S513 PolarHBondContact O-OG 2.83Å |
| 510 | Q | 90 | Very high | 86.1 | Confident | 137 Ų | 137 | 74.9 Ų | 74.9 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.7 | -47.1 | 176.3 | -66.8 | -178.4 | -2.7 | 0 | 0 | 111.6 | T508 S513 N514 | T508-Q510 PolarHBondContact O-N 2.86Å; Q510-S513 PolarHBondContact O-N 3.04Å; Q510-S513 PolarHBondContact O-OG 2.83Å; Q510-N514 VanDerWaalsContact O-CG 3.26Å; Q510-N514 PolarHBondContact O-N 3.12Å; Q510-N514 PolarHBondContact O-ND2 2.8Å |
| 511 | E | 90.6 | Very high | 84.2 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.2 | -52.3 | 174.5 | -71.1 | 146.2 | -138.1 | 0 | 0 | 111.3 | R507 T508 S513 N514 E515 | R507-E511 VanDerWaalsContact CA-OE2 3.23Å; R507-E511 WeakPolarHBondContact CA-OE2 3.38Å; R507-E511 HydrophobicContact CB-CB 4.21Å; R507-E511 WeakPolarHBondContact CB-OE2 3.42Å; T508-E511 WeakPolarHBondContact CB-OE1 3.46Å; T508-E511 VanDerWaalsContact CG2-OE1 3.28Å; T508-E511 WeakPolarHBondContact CG2-OE1 3.13Å; T508-E511 PolarHBondContact N-OE2 3.35Å; T508-E511 WeakPolarHBondContact O-CB 3.39Å; T508-E511 PolarHBondContact O-N 3.32Å; T508-E511 VanDerWaalsContact O-N 3.12Å; T508-E511 WeakPolarHBondContact OG1-CG 3.35Å; T508-E511 PolarHBondContact OG1-N 3.41Å; T508-E511 PolarHBondContact OG1-OE1 2.96Å; E511-S513 VanDerWaalsContact C-N 3.31Å; E511-S513 PolarHBondContact O-N 2.9Å; E511-N514 PolarHBondContact O-N 2.96Å; E511-E515 PolarHBondContact O-N 3.24Å; E511-E515 VanDerWaalsContact O-N 3.11Å |
| 512 | L | 90.1 | Very high | 82.2 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 178.9 | -65.1 | 172 | 0 | 0 | 0 | 112.6 | N466 T478 R507 T508 Y509 N514 R516 | N466-L512 HydrophobicContact CB-CD1 4.08Å; T478-L512 HydrophobicContact CG2-CD1 3.72Å; R507-L512 HydrophobicContact CB-CD2 4.01Å; R507-L512 HydrophobicContact CB-CG 3.95Å; T508-L512 PolarHBondContact O-N 3.38Å; T508-L512 VanDerWaalsContact O-N 3.1Å; Y509-L512 PolarHBondContact O-N 2.9Å; L512-N514 VanDerWaalsContact C-N 3.35Å; L512-R516 WeakPolarHBondContact O-CG 3.44Å; L512-R516 PolarHBondContact O-N 3.22Å |
| 513 | S | 88.3 | Confident | 80.1 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 178.8 | 78 | 0 | 0 | 0 | 0 | 112.8 | Y509 Q510 E511 K517 | Y509-S513 VanDerWaalsContact O-CB 3.28Å; Y509-S513 WeakPolarHBondContact O-CB 3.4Å; Y509-S513 PolarHBondContact O-N 3.32Å; Y509-S513 PolarHBondContact O-OG 2.83Å; Q510-S513 PolarHBondContact O-N 3.04Å; Q510-S513 PolarHBondContact O-OG 2.83Å; E511-S513 VanDerWaalsContact C-N 3.31Å; E511-S513 PolarHBondContact O-N 2.9Å; S513-K517 WeakPolarHBondContact O-CG 3.47Å; S513-K517 PolarHBondContact O-N 2.95Å |
| 514 | N | 88 | Confident | 77.7 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 178 | -69.8 | -24.1 | 0 | 0 | 0 | 111.2 | Q510 E511 L512 R516 K517 V518 | Q510-N514 VanDerWaalsContact O-CG 3.26Å; Q510-N514 PolarHBondContact O-N 3.12Å; Q510-N514 PolarHBondContact O-ND2 2.8Å; E511-N514 PolarHBondContact O-N 2.96Å; L512-N514 VanDerWaalsContact C-N 3.35Å; N514-R516 VanDerWaalsContact C-N 3.33Å; N514-R516 PolarHBondContact O-N 2.87Å; N514-K517 PolarHBondContact O-N 3.04Å; N514-V518 WeakPolarHBondContact O-CG2 3.37Å; N514-V518 PolarHBondContact O-N 3.38Å |
| 515 | E | 78.8 | Confident | 75.3 | Confident | 85 Ų | 85 | 84.3 Ų | 84.3 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 175.2 | -69.7 | 180 | 138.1 | 0 | 0 | 112.4 | R507 E511 S519 | R507-E515 IonicContact CZ-OE1 3.45Å; R507-E515 IonicContact CZ-OE2 3.77Å; R507-E515 IonicContact NH1-OE1 2.68Å; R507-E515 PolarHBondContact NH1-OE1 2.99Å; R507-E515 IonicContact NH1-OE2 2.7Å; R507-E515 PolarHBondContact NH1-OE2 3.48Å; R507-E515 IonicContact NH2-OE1 3.97Å; E511-E515 PolarHBondContact O-N 3.24Å; E511-E515 VanDerWaalsContact O-N 3.11Å; E515-S519 WeakPolarHBondContact O-CB 3.34Å; E515-S519 PolarHBondContact O-N 3.3Å; E515-S519 PolarHBondContact O-OG 3.35Å |
| 516 | R | 77 | Confident | 72.9 | Confident | 183 Ų | 183 | 86.7 Ų | 86.7 | 69% | 0.691 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 174.9 | -71.9 | -177.9 | -178.4 | -167.1 | 0.4 | 112.3 | L512 N514 S519 I520 | L512-R516 WeakPolarHBondContact O-CG 3.44Å; L512-R516 PolarHBondContact O-N 3.22Å; N514-R516 VanDerWaalsContact C-N 3.33Å; N514-R516 PolarHBondContact O-N 2.87Å; R516-S519 PolarHBondContact O-N 3.07Å; R516-I520 WeakPolarHBondContact O-CG1 3.5Å; R516-I520 PolarHBondContact O-N 3.2Å |
| 517 | K | 74.4 | Confident | 70 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 176 | -70.3 | 172.7 | -177.4 | 173.1 | 0 | 111.8 | S513 N514 S519 I520 D521 | S513-K517 WeakPolarHBondContact O-CG 3.47Å; S513-K517 PolarHBondContact O-N 2.95Å; N514-K517 PolarHBondContact O-N 3.04Å; K517-S519 PolarHBondContact O-N 2.83Å; K517-S519 VanDerWaalsContact O-N 3.15Å; K517-I520 PolarHBondContact O-N 3.14Å; K517-D521 PolarHBondContact O-N 3.47Å |
| 518 | V | 66.5 | Low | 67.1 | Low | 76 Ų | 76 | 92.3 Ų | 92.3 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -29.6 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | N514 K522 | N514-V518 WeakPolarHBondContact O-CG2 3.37Å; N514-V518 PolarHBondContact O-N 3.38Å; V518-K522 HydrophobicContact CG1-CD 4.45Å; V518-K522 WeakPolarHBondContact O-CD 3.29Å; V518-K522 VanDerWaalsContact O-CG 3.27Å; V518-K522 WeakPolarHBondContact O-CG 3.22Å; V518-K522 PolarHBondContact O-N 3.17Å |
| 519 | S | 59.6 | Low | 64.1 | Low | 67 Ų | 67 | 99 Ų | 99 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.2 | -42.2 | 175 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | E515 R516 K517 K522 V523 | E515-S519 WeakPolarHBondContact O-CB 3.34Å; E515-S519 PolarHBondContact O-N 3.3Å; E515-S519 PolarHBondContact O-OG 3.35Å; R516-S519 PolarHBondContact O-N 3.07Å; K517-S519 PolarHBondContact O-N 2.83Å; K517-S519 VanDerWaalsContact O-N 3.15Å; S519-K522 PolarHBondContact O-N 3.1Å; S519-V523 WeakPolarHBondContact O-CG2 3.34Å; S519-V523 PolarHBondContact O-N 3.34Å |
| 520 | I | 58.6 | Low | 61.1 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.6 | -70.3 | 164.4 | 0 | 0 | 0 | 110.9 | R516 K517 K522 V523 H524 | R516-I520 WeakPolarHBondContact O-CG1 3.5Å; R516-I520 PolarHBondContact O-N 3.2Å; K517-I520 PolarHBondContact O-N 3.14Å; I520-K522 VanDerWaalsContact C-N 3.27Å; I520-K522 PolarHBondContact O-N 3.42Å; I520-V523 PolarHBondContact O-N 3.01Å; I520-V523 VanDerWaalsContact O-N 3.16Å; I520-H524 PolarHBondContact O-CD2 2.8Å; I520-H524 PolarHBondContact O-N 2.85Å |
| 521 | D | 54.2 | Low | 58.1 | Low | 105 Ų | 105 | 99.5 Ų | 99.5 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.8 | -37.4 | 177.2 | -63.3 | -28.5 | 0 | 0 | 0 | 111.5 | K517 S525 | K517-D521 PolarHBondContact O-N 3.47Å; D521-S525 WeakPolarHBondContact O-CB 3.31Å; D521-S525 PolarHBondContact O-N 2.78Å; D521-S525 PolarHBondContact O-OG 3.17Å; D521-S525 VanDerWaalsContact O-OG 3.11Å |
| 522 | K | 55.3 | Low | 55 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 174.6 | -78.1 | 173.6 | -179.3 | -179.9 | 0 | 113 | V518 S519 I520 S525 S526 | V518-K522 HydrophobicContact CG1-CD 4.45Å; V518-K522 WeakPolarHBondContact O-CD 3.29Å; V518-K522 VanDerWaalsContact O-CG 3.27Å; V518-K522 WeakPolarHBondContact O-CG 3.22Å; V518-K522 PolarHBondContact O-N 3.17Å; S519-K522 PolarHBondContact O-N 3.1Å; I520-K522 VanDerWaalsContact C-N 3.27Å; I520-K522 PolarHBondContact O-N 3.42Å; K522-S525 WeakPolarHBondContact CA-OG 3.48Å; K522-S525 PolarHBondContact O-OG 3.16Å; K522-S526 PolarHBondContact O-N 3.46Å |
| 523 | V | 51.8 | Low | 51.8 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67 | -47.5 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | S519 I520 S525 S526 C527 | S519-V523 WeakPolarHBondContact O-CG2 3.34Å; S519-V523 PolarHBondContact O-N 3.34Å; I520-V523 PolarHBondContact O-N 3.01Å; I520-V523 VanDerWaalsContact O-N 3.16Å; V523-S525 VanDerWaalsContact C-N 3.32Å; V523-S525 PolarHBondContact O-N 2.85Å; V523-S526 WeakPolarHBondContact O-CB 3.36Å; V523-S526 PolarHBondContact O-N 3.32Å; V523-S526 PolarHBondContact O-OG 3.44Å; V523-C527 PolarHBondContact O-SG 2.95Å |
| 524 | H | 44.3 | Very low | 48.8 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.1 | -37.2 | 176.8 | -73.2 | -57.7 | 0 | 0 | 0 | 112.9 | I520 S526 C527 | I520-H524 PolarHBondContact O-CD2 2.8Å; I520-H524 PolarHBondContact O-N 2.85Å; H524-S526 PolarHBondContact O-N 2.98Å; H524-C527 PolarHBondContact O-N 3.41Å |
| 525 | S | 46.3 | Very low | 45.7 | Very low | 79 Ų | 79 | 116.8 Ų | 116.8 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.6 | -8.5 | 174 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | D521 K522 V523 | D521-S525 WeakPolarHBondContact O-CB 3.31Å; D521-S525 PolarHBondContact O-N 2.78Å; D521-S525 PolarHBondContact O-OG 3.17Å; D521-S525 VanDerWaalsContact O-OG 3.11Å; K522-S525 WeakPolarHBondContact CA-OG 3.48Å; K522-S525 PolarHBondContact O-OG 3.16Å; V523-S525 VanDerWaalsContact C-N 3.32Å; V523-S525 PolarHBondContact O-N 2.85Å |
| 526 | S | 43.1 | Very low | 43.2 | Very low | 86 Ų | 86 | 120 Ų | 120 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -94.1 | -15.6 | 176 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | K522 V523 H524 | K522-S526 PolarHBondContact O-N 3.46Å; V523-S526 WeakPolarHBondContact O-CB 3.36Å; V523-S526 PolarHBondContact O-N 3.32Å; V523-S526 PolarHBondContact O-OG 3.44Å; H524-S526 PolarHBondContact O-N 2.98Å |
| 527 | C | 33 | Very low | 40.6 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.8 | -34 | 178.4 | -57 | 0 | 0 | 0 | 0 | 112.7 | V523 H524 N529 | V523-C527 PolarHBondContact O-SG 2.95Å; H524-C527 PolarHBondContact O-N 3.41Å; C527-N529 PolarHBondContact O-N 3.06Å |
| 528 | D | 33.3 | Very low | 38.2 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -96.6 | 65.6 | -172.7 | -71.2 | -26.2 | 0 | 0 | 0 | 112.5 | ||
| 529 | N | 30.2 | Very low | 36.1 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | trans | -151 | 71.5 | 168.2 | -94.5 | -51.6 | 0 | 0 | 0 | 111.5 | C527 | C527-N529 PolarHBondContact O-N 3.06Š| ||
| 530 | G | 29.3 | Very low | 34.4 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -177.2 | 57.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 531 | N | 27 | Very low | 32.8 | Very low | 161 Ų | 161 | 125 Ų | 125 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | 35.2 | 111.3 | 150.5 | -63.3 | -30.1 | 0 | 0 | 0 | 119.9 | ||||
| 532 | T | 25.2 | Very low | 31.3 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | -153.5 | 121.1 | 111.6 | 38.1 | 0 | 0 | 0 | 0 | 110.5 | I534 | T532-I534 PolarHBondContact O-N 3.16Š| |||
| 533 | K | 23.7 | Very low | 29.9 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | -65.8 | 125.5 | 158.4 | -71.4 | 179.3 | 173 | -174.9 | 0 | 108.6 | ||||
| 534 | I | 25.5 | Very low | 28.6 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | -129 | 97.5 | 152.9 | -61.6 | -177.3 | 0 | 0 | 0 | 106.2 | T532 I536 | T532-I534 PolarHBondContact O-N 3.16Å; I534-I536 HydrophobicContact CG2-CD1 4.44Å; I534-I536 HydrophobicContact CG2-CG1 4.21Å; I534-I536 PolarHBondContact O-N 3.21Å | ||
| 535 | D | 22.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -73.4 | 112 | 171.3 | -59.8 | -60.1 | 0 | 0 | 0 | 108.5 | ||||
| 536 | I | 27 | Very low | 26.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -129.2 | 107.1 | 156.3 | -58.5 | -178.7 | 0 | 0 | 0 | 107.7 | I534 | I534-I536 HydrophobicContact CG2-CD1 4.44Å; I534-I536 HydrophobicContact CG2-CG1 4.21Å; I534-I536 PolarHBondContact O-N 3.21Å | ||
| 537 | N | 22.1 | Very low | 25.8 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 162 | 171.9 | -87.6 | -44.3 | 0 | 0 | 0 | 111.5 | ||||
| 538 | T | 23.7 | Very low | 25.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 135.8 | 147.3 | 39.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 539 | D | 22.5 | Very low | 25.2 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 76.7 | 85.5 | 148.1 | -54.3 | -12.1 | 0 | 0 | 0 | 119.1 | ||||
| 540 | G | 23.5 | Very low | 24.8 | Very low | 73 Ų | 73 | 143.1 Ų | 143.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | 64.8 | 98.1 | 104.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 541 | N | 24.7 | Very low | 24.5 | Very low | 168 Ų | 168 | 145 Ų | 145 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 140 | 130.9 | -113.6 | -38.5 | 0 | 0 | 0 | 112.2 | ||||
| 542 | H | 23.2 | Very low | 24.6 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -58.7 | 141.1 | 162.5 | -80.7 | -103.8 | 0 | 0 | 0 | 109.6 | ||||
| 543 | N | 25.8 | Very low | 24.5 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | -174.6 | 114 | 124.1 | -87.2 | -21.5 | 0 | 0 | 0 | 111 | |||||
| 544 | D | 24 | Very low | 24.6 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 44.8 | 116.5 | 142.8 | -58.8 | -19.5 | 0 | 0 | 0 | 123 | ||||
| 545 | V | 25.5 | Very low | 24.6 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 46.4 | 102.5 | 124.9 | -169.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 546 | N | 26.6 | Very low | 24.7 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -153.8 | 93.1 | 126.3 | -93.6 | -53.1 | 0 | 0 | 0 | 109.8 | |||||
| 547 | Q | 23.4 | Very low | 24.6 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -81.3 | 120.9 | 152.4 | -72.7 | 179.8 | -13.5 | 0 | 0 | 106.8 | ||||
| 548 | D | 25.8 | Very low | 25.1 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -167.2 | 150 | 145.8 | -107.4 | -19.5 | 0 | 0 | 0 | 112.3 | ||||
| 549 | N | 27.4 | Very low | 25.1 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 73.5 | 64.5 | 164.7 | -55.9 | -39.9 | 0 | 0 | 0 | 118.9 | S551 | N549-S551 PolarHBondContact O-N 2.94Š| ||
| 550 | L | 22.6 | Very low | 25.2 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -56.6 | 116.8 | 123.8 | -77.5 | 159 | 0 | 0 | 0 | 109.7 | |||||
| 551 | S | 24.1 | Very low | 25.4 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | 157.2 | 139.4 | 129.2 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | N549 | N549-S551 PolarHBondContact O-N 2.94Š| |||
| 552 | A | 27.1 | Very low | 25.3 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 41.7 | 108.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 553 | S | 24.9 | Very low | 25.2 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 170.6 | 62.9 | 126.3 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | V555 | S553-V555 PolarHBondContact O-N 3.39Š| |||
| 554 | G | 24.3 | Very low | 25.2 | Very low | 80 Ų | 80 | 146.5 Ų | 146.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 97 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F556 | G554-F556 PolarHBondContact O-N 3.25Å; G554-F556 VanDerWaalsContact O-N 3.12Å | ||
| 555 | V | 25.8 | Very low | 25.2 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 68% | 0.679 | 82% | 0.815 | S | S | * | * | trans | -64.1 | 109.8 | 171.6 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | S553 N557 | S553-V555 PolarHBondContact O-N 3.39Å; V555-N557 PolarHBondContact O-N 3.24Å | ||
| 556 | F | 24.1 | Very low | 25 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -77 | 90.9 | 179.8 | -150.7 | -86.8 | 0 | 0 | 0 | 108.8 | G554 P558 | G554-F556 PolarHBondContact O-N 3.25Å; G554-F556 VanDerWaalsContact O-N 3.12Å; F556-P558 WeakPolarHBondContact O-CD 3.47Å | ||
| 557 | N | 25.3 | Very low | 24.7 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -91 | 108.8 | 178.1 | -116.7 | 13.7 | 0 | 0 | 0 | 109.4 | V555 E559 | V555-N557 PolarHBondContact O-N 3.24Å; N557-E559 VanDerWaalsContact C-N 3.31Å; N557-E559 PolarHBondContact O-N 3.11Å | ||
| 558 | P | 32.1 | Very low | 24.7 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 62.5 | -171.9 | 36.9 | -36.4 | 0 | 0 | 0 | 112.3 | F556 | F556-P558 WeakPolarHBondContact O-CD 3.47Š|
| 559 | E | 24.7 | Very low | 24.4 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | -6.1 | 172.1 | -71.1 | -164.6 | 148.9 | 0 | 0 | 114.5 | N557 E561 | N557-E559 VanDerWaalsContact C-N 3.31Å; N557-E559 PolarHBondContact O-N 3.11Å; E559-E561 PolarHBondContact O-N 3.16Å |
| 560 | N | 24.6 | Very low | 24.2 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | -97.7 | 58.6 | -178 | -78.3 | -9.6 | 0 | 0 | 0 | 113.6 | ||||
| 561 | E | 26.7 | Very low | 24 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -152.9 | 40.5 | 162.4 | -127.8 | 168.4 | -137.6 | 0 | 0 | 114.4 | E559 | E559-E561 PolarHBondContact O-N 3.16Š| ||
| 562 | L | 22.5 | Very low | 23.9 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -133.4 | 68.9 | 167.7 | -82.5 | 176.1 | 0 | 0 | 0 | 111.7 | ||
| 563 | K | 23 | Very low | 23.5 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 179.3 | 91.9 | 158.8 | -104.6 | 162.5 | -174.3 | -179.4 | 0 | 111.7 | ||||
| 564 | L | 24.9 | Very low | 23.4 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -171.4 | 55.9 | 151.7 | -112 | 155.4 | 0 | 0 | 0 | 113.6 | ||||
| 565 | I | 24.1 | Very low | 23.3 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -132.9 | 82.2 | 152.7 | -54 | -179.2 | 0 | 0 | 0 | 107.3 | ||||
| 566 | E | 20.2 | Very low | 22.9 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -100.8 | 157.4 | 158.5 | -71.8 | -170 | 164.1 | 0 | 0 | 109.1 | ||||
| 567 | K | 21.6 | Very low | 22.9 | Very low | 185 Ų | 185 | 151.8 Ų | 151.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 75.5 | 80.9 | 168.5 | -49.5 | 178.8 | -172.7 | 178.7 | 0 | 116.2 | ||||
| 568 | T | 22.5 | Very low | 22.7 | Very low | 148 Ų | 148 | 153 Ų | 153 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | -131.4 | 141.5 | 111.8 | 29.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 569 | E | 19.9 | Very low | 22 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -82.2 | 145.3 | -173.1 | -61.3 | 163.7 | 151.1 | 0 | 0 | 110.6 | ||||
| 570 | N | 23.1 | Very low | 21.9 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -161.8 | 100 | 143.6 | -99.2 | -32.5 | 0 | 0 | 0 | 109.6 | ||||
| 571 | S | 18.5 | Very low | 21.6 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -91.5 | 100.6 | -179.9 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 572 | S | 21.4 | Very low | 21.3 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -176.7 | 140.4 | 159.7 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 573 | S | 20.2 | Very low | 21.2 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | cis | -171.6 | 161.3 | -12.4 | -78.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 574 | I | 22.5 | Very low | 20.9 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 70.2 | 136.4 | 160.4 | -63.3 | 150.5 | 0 | 0 | 0 | 113.7 | ||||
| 575 | E | 20.8 | Very low | 20.7 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | cis | -147.6 | 164.1 | 0.1 | -133.7 | 151 | -145.8 | 0 | 0 | 109.3 | ||||
| 576 | A | 18.6 | Very low | 20.4 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -84.4 | 159.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 577 | V | 23.4 | Very low | 20.2 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -177.8 | 127 | 131.3 | 144.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 578 | E | 21.1 | Very low | 20.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | 54.1 | 104.5 | 151.3 | -64.9 | 171.3 | 178.1 | 0 | 0 | 122.4 | I580 | E578-I580 HydrophobicContact CB-CG1 4.45Š| ||
| 579 | T | 18.4 | Very low | 20.4 | Very low | 138 Ų | 138 | 143 Ų | 143 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 127 | 135.2 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 580 | I | 22.1 | Very low | 20.3 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -120.1 | 118 | 158.1 | -63.9 | -179.1 | 0 | 0 | 0 | 108.7 | E578 | E578-I580 HydrophobicContact CB-CG1 4.45Š| ||
| 581 | V | 19.1 | Very low | 20.3 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -101 | 120.1 | 173.5 | 168.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 582 | G | 19 | Very low | 20.5 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 125.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 583 | E | 20.2 | Very low | 20.5 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -150.2 | 141.7 | 133.3 | -122.5 | 172.7 | -154.2 | 0 | 0 | 111.2 | ||||
| 584 | K | 16.6 | Very low | 20.8 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100 | 123.3 | 171.4 | -82.6 | 179.6 | 172.1 | 179 | 0 | 108.6 | ||
| 585 | P | 21.1 | Very low | 20.8 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 144.5 | 159.6 | -13 | 30.3 | 0 | 0 | 0 | 110.8 | ||
| 586 | Q | 19.2 | Very low | 20.8 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 158 | -177.3 | -69.2 | 176.1 | -51.4 | 0 | 0 | 113.3 | ||
| 587 | M | 16.1 | Very low | 20.9 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -16.1 | 132.1 | 149.2 | -68 | -78.9 | -62 | 0 | 0 | 115.7 | D589 | M587-D589 WeakPolarHBondContact CE-OD1 3.31Š| ||
| 588 | I | 26.2 | Very low | 20.9 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -126.8 | 129.3 | 154.3 | -62 | 178.9 | 0 | 0 | 0 | 107.1 | ||||
| 589 | D | 20 | Very low | 20.9 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -85.1 | 168.8 | -172.1 | -80.5 | -44.5 | 0 | 0 | 0 | 114.7 | M587 | M587-D589 WeakPolarHBondContact CE-OD1 3.31Š| ||
| 590 | S | 19.2 | Very low | 21.1 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -29.4 | 139.3 | 172.5 | 50.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 591 | S | 23.2 | Very low | 21 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -156.9 | 171.1 | 136.3 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 592 | T | 21.7 | Very low | 21.3 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -123.6 | 159.8 | -144.3 | -33.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 593 | E | 21.9 | Very low | 21.7 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 77.5 | 158.5 | 160.8 | -59.1 | -157 | 168.7 | 0 | 0 | 119.6 | ||||
| 594 | P | 27.5 | Very low | 22 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -133.4 | -179.4 | -45.8 | 37.8 | -22.9 | 0 | 0 | 0 | 113.3 | ||||
| 595 | I | 21.5 | Very low | 22.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -55 | 130.8 | 178.8 | -62.8 | 158.6 | 0 | 0 | 0 | 112.1 | ||||
| 596 | R | 20.5 | Very low | 23.1 | Very low | 243 Ų | 243 | 143.5 Ų | 143.5 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | trans | -107.6 | 119.8 | 154.7 | -92.7 | -167.9 | 175 | -158.6 | -0.8 | 110 | F598 | R596-F598 PolarHBondContact O-N 3.44Š| ||
| 597 | E | 20.1 | Very low | 24.3 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | trans | -60.5 | 129.6 | 168.3 | -62.4 | 172.8 | 115.3 | 0 | 0 | 110.1 | I599 | E597-I599 HydrophobicContact CB-CG1 4.32Š| ||
| 598 | F | 24.2 | Very low | 25.5 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -112.9 | 85.5 | 165.1 | -147.3 | -94.3 | 0 | 0 | 0 | 108.6 | R596 V600 | R596-F598 PolarHBondContact O-N 3.44Å; F598-V600 HydrophobicContact CD1-CG2 3.71Å; F598-V600 HydrophobicContact CE1-CG2 4.19Å; F598-V600 PolarHBondContact O-N 3.19Å | ||
| 599 | I | 21 | Very low | 26.1 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 65% | 0.646 | 72% | 0.722 | S | S | * | * | trans | -69.1 | 91.5 | 178.8 | -60.9 | 173.6 | 0 | 0 | 0 | 108.7 | E597 S601 | E597-I599 HydrophobicContact CB-CG1 4.32Å; I599-S601 VanDerWaalsContact C-N 3.27Å; I599-S601 PolarHBondContact O-N 3.18Å; I599-S601 VanDerWaalsContact O-N 3.07Å | ||
| 600 | V | 23.8 | Very low | 26.9 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | trans | -82.4 | 77.7 | 168.1 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | F598 S602 | F598-V600 HydrophobicContact CD1-CG2 3.71Å; F598-V600 HydrophobicContact CE1-CG2 4.19Å; F598-V600 PolarHBondContact O-N 3.19Å; V600-S602 PolarHBondContact O-N 2.83Å | ||
| 601 | S | 19.7 | Very low | 28 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -81.6 | 91 | 162.4 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | I599 | I599-S601 VanDerWaalsContact C-N 3.27Å; I599-S601 PolarHBondContact O-N 3.18Å; I599-S601 VanDerWaalsContact O-N 3.07Å | ||
| 602 | S | 24 | Very low | 28.3 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 57% | 0.573 | 69% | 0.686 | S | S | * | * | trans | -162.8 | 97 | 160.1 | 40.4 | 0 | 0 | 0 | 0 | 115.2 | V600 | V600-S602 PolarHBondContact O-N 2.83Š| ||
| 603 | T | 27.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | trans | 51.3 | 78.2 | 135.5 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | K605 | T603-K605 PolarHBondContact O-N 2.97Š| ||
| 604 | L | 27.5 | Very low | 29.9 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | trans | -81.1 | 105.3 | 154.2 | -73.5 | 176.2 | 0 | 0 | 0 | 110.1 | D606 | L604-D606 VanDerWaalsContact C-N 3.33Å; L604-D606 PolarHBondContact O-N 3.29Å; L604-D606 VanDerWaalsContact O-N 3.13Å | ||
| 605 | K | 30.6 | Very low | 30.3 | Very low | 189 Ų | 189 | 124 Ų | 124 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | trans | -84.2 | 60.7 | -176.7 | -67.2 | -179.9 | 177.5 | 174.8 | 0 | 112.7 | T603 S607 | T603-K605 PolarHBondContact O-N 2.97Å; K605-S607 PolarHBondContact O-N 3.28Å | ||
| 606 | D | 30.7 | Very low | 30.8 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | trans | -89.1 | 101.8 | 173.2 | -76.2 | -31.4 | 0 | 0 | 0 | 111.7 | L604 S608 V609 Q610 | L604-D606 VanDerWaalsContact C-N 3.33Å; L604-D606 PolarHBondContact O-N 3.29Å; L604-D606 VanDerWaalsContact O-N 3.13Å; D606-S608 PolarHBondContact O-N 3.19Å; D606-S608 VanDerWaalsContact O-N 3.13Å; D606-V609 HydrophobicContact CB-CB 4.49Å; D606-V609 HydrophobicContact CB-CG2 4.04Å; D606-V609 PolarHBondContact O-N 2.92Å; D606-Q610 PolarHBondContact O-N 2.79Å | ||
| 607 | S | 44.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.3 | -23.5 | -175.2 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | K605 T611 | K605-S607 PolarHBondContact O-N 3.28Å; S607-T611 WeakPolarHBondContact O-CG2 3.49Å; S607-T611 PolarHBondContact O-N 2.89Å; S607-T611 PolarHBondContact O-OG1 2.99Å |
| 608 | S | 40.5 | Very low | 31.9 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.1 | -33.2 | 174.6 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | D606 T611 C612 | D606-S608 PolarHBondContact O-N 3.19Å; D606-S608 VanDerWaalsContact O-N 3.13Å; S608-T611 PolarHBondContact O-OG1 3.44Å; S608-T611 VanDerWaalsContact O-OG1 3.13Å; S608-C612 PolarHBondContact O-N 3.36Å; S608-C612 PolarHBondContact O-SG 3.45Å; S608-C612 VanDerWaalsContact O-SG 3.34Å |
| 609 | V | 40.1 | Very low | 32.3 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -78.4 | -42.9 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | D606 T611 C612 L613 | D606-V609 HydrophobicContact CB-CB 4.49Å; D606-V609 HydrophobicContact CB-CG2 4.04Å; D606-V609 PolarHBondContact O-N 2.92Å; V609-T611 PolarHBondContact O-N 3.26Å; V609-C612 WeakPolarHBondContact O-CB 3.43Å; V609-C612 PolarHBondContact O-N 3.12Å; V609-L613 HydrophobicContact CG1-CD1 4.29Å; V609-L613 PolarHBondContact O-N 2.89Å |
| 610 | Q | 36.5 | Very low | 32.8 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 44% | 0.439 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 177.4 | -170.8 | 60.3 | 36.9 | 0 | 0 | 111.9 | D606 C612 L613 D614 | D606-Q610 PolarHBondContact O-N 2.79Å; Q610-C612 VanDerWaalsContact C-N 3.29Å; Q610-C612 PolarHBondContact O-N 3.48Å; Q610-L613 PolarHBondContact O-N 2.77Å; Q610-D614 PolarHBondContact NE2-OD1 3.37Å; Q610-D614 WeakPolarHBondContact O-CB 3.41Å; Q610-D614 VanDerWaalsContact O-CG 3.26Å; Q610-D614 PolarHBondContact O-N 3.02Å |
| 611 | T | 42.2 | Very low | 33.1 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64 | -32 | 176.4 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | S607 S608 V609 R615 | S607-T611 WeakPolarHBondContact O-CG2 3.49Å; S607-T611 PolarHBondContact O-N 2.89Å; S607-T611 PolarHBondContact O-OG1 2.99Å; S608-T611 PolarHBondContact O-OG1 3.44Å; S608-T611 VanDerWaalsContact O-OG1 3.13Å; V609-T611 PolarHBondContact O-N 3.26Å; T611-R615 VanDerWaalsContact O-CB 3.31Å; T611-R615 WeakPolarHBondContact O-CB 3.44Å; T611-R615 PolarHBondContact O-N 3.44Å; T611-R615 VanDerWaalsContact O-N 3.11Å |
| 612 | C | 30 | Very low | 33.4 | Very low | 87 Ų | 87 | 129 Ų | 129 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.5 | -42.8 | 171.4 | -75.7 | 0 | 0 | 0 | 0 | 112.7 | S608 V609 Q610 R615 R616 | S608-C612 PolarHBondContact O-N 3.36Å; S608-C612 PolarHBondContact O-SG 3.45Å; S608-C612 VanDerWaalsContact O-SG 3.34Å; V609-C612 WeakPolarHBondContact O-CB 3.43Å; V609-C612 PolarHBondContact O-N 3.12Å; Q610-C612 VanDerWaalsContact C-N 3.29Å; Q610-C612 PolarHBondContact O-N 3.48Å; C612-R615 PolarHBondContact O-N 2.97Å; C612-R616 PolarHBondContact O-N 3.4Å; C612-R616 VanDerWaalsContact O-N 3.1Å |
| 613 | L | 39 | Very low | 33.6 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 45% | 0.45 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.6 | -40.1 | 176.1 | -76.4 | 170.3 | 0 | 0 | 0 | 112.4 | V609 Q610 R615 R616 R617 | V609-L613 HydrophobicContact CG1-CD1 4.29Å; V609-L613 PolarHBondContact O-N 2.89Å; Q610-L613 PolarHBondContact O-N 2.77Å; L613-R615 VanDerWaalsContact C-N 3.3Å; L613-R615 PolarHBondContact O-N 2.92Å; L613-R616 CarbonylContact O-C 3.6Å; L613-R616 WeakPolarHBondContact O-CB 3.37Å; L613-R616 PolarHBondContact O-N 3.35Å; L613-R616 VanDerWaalsContact O-N 3.1Å; L613-R617 PolarHBondContact O-N 3.24Å |
| 614 | D | 38.1 | Very low | 33.5 | Very low | 54 Ų | 54 | 133.8 Ų | 133.8 | 29% | 0.289 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.2 | -30.8 | 176.2 | -67.4 | -21.4 | 0 | 0 | 0 | 112.2 | Q610 R616 R618 | Q610-D614 PolarHBondContact NE2-OD1 3.37Å; Q610-D614 WeakPolarHBondContact O-CB 3.41Å; Q610-D614 VanDerWaalsContact O-CG 3.26Å; Q610-D614 PolarHBondContact O-N 3.02Å; D614-R616 VanDerWaalsContact C-N 3.31Å; D614-R618 WeakPolarHBondContact O-CB 3.49Å; D614-R618 PolarHBondContact O-N 3.37Å; D614-R618 PolarHBondContact O-NE 3.43Å |
| 615 | R | 35.3 | Very low | 33.1 | Very low | 198 Ų | 198 | 131.3 Ų | 131.3 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.5 | -28.6 | 172 | -162.3 | 174.2 | -167.2 | 164 | 2.8 | 111.9 | T611 C612 L613 | T611-R615 VanDerWaalsContact O-CB 3.31Å; T611-R615 WeakPolarHBondContact O-CB 3.44Å; T611-R615 PolarHBondContact O-N 3.44Å; T611-R615 VanDerWaalsContact O-N 3.11Å; C612-R615 PolarHBondContact O-N 2.97Å; L613-R615 VanDerWaalsContact C-N 3.3Å; L613-R615 PolarHBondContact O-N 2.92Å |
| 616 | R | 31.8 | Very low | 32.8 | Very low | 203 Ų | 203 | 130 Ų | 130 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -78.1 | -40.7 | 172.8 | -156.2 | 170.3 | -171.4 | 158.1 | 1.4 | 111.8 | C612 L613 D614 K619 | C612-R616 PolarHBondContact O-N 3.4Å; C612-R616 VanDerWaalsContact O-N 3.1Å; L613-R616 CarbonylContact O-C 3.6Å; L613-R616 WeakPolarHBondContact O-CB 3.37Å; L613-R616 PolarHBondContact O-N 3.35Å; L613-R616 VanDerWaalsContact O-N 3.1Å; D614-R616 VanDerWaalsContact C-N 3.31Å; R616-K619 PolarHBondContact O-N 3.35Å |
| 617 | R | 33.4 | Very low | 32.3 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 64% | 0.642 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 175.7 | -83.5 | -177.4 | 156.3 | 143.4 | -3.8 | 113.4 | L613 K619 K620 | L613-R617 PolarHBondContact O-N 3.24Å; R617-K619 PolarHBondContact O-N 2.82Å; R617-K620 PolarHBondContact O-N 3.18Å |
| 618 | R | 29.8 | Very low | 31.1 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -12 | 178.2 | -90.5 | 178.1 | -83.2 | 159.5 | -12.3 | 115.6 | D614 | D614-R618 WeakPolarHBondContact O-CB 3.49Å; D614-R618 PolarHBondContact O-N 3.37Å; D614-R618 PolarHBondContact O-NE 3.43Å |
| 619 | K | 33.2 | Very low | 30.2 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -3.9 | 171.2 | -78.2 | -165.6 | 171.5 | -167.9 | 0 | 114.6 | R616 R617 | R616-K619 PolarHBondContact O-N 3.35Å; R617-K619 PolarHBondContact O-N 2.82Å |
| 620 | K | 32.2 | Very low | 29.3 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -114.6 | 12.1 | -175.8 | -124.2 | -175 | -176.8 | -172.3 | 0 | 114.4 | R617 | R617-K620 PolarHBondContact O-N 3.18Š|
| 621 | L | 28.7 | Very low | 28.5 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | -132.2 | 37.7 | -168.4 | -108.7 | 156.4 | 0 | 0 | 0 | 112.8 | ||||
| 622 | S | 26.6 | Very low | 27.5 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -114.4 | 12.7 | 171.7 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 623 | T | 27.5 | Very low | 27 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -136.4 | 155.2 | 171 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 624 | Q | 26.6 | Very low | 26.5 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | 76 | 82.4 | -174.8 | -55.3 | -179.5 | -10.9 | 0 | 0 | 115.4 | ||||
| 625 | S | 19 | Very low | 25.5 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -114.9 | 153 | 140.6 | -69 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 626 | L | 22.8 | Very low | 24.8 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 74.6 | 135.8 | -168.6 | -49.3 | 168.1 | 0 | 0 | 0 | 113.9 | ||||
| 627 | T | 21.4 | Very low | 24.2 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -162.8 | 125.3 | -18.7 | 12.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 628 | L | 19.1 | Very low | 23.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | 59.7 | 143.2 | 105.1 | -84.1 | 172.5 | 0 | 0 | 0 | 117.9 | |||||
| 629 | L | 20.3 | Very low | 23.2 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 84.1 | 125.5 | 179.5 | -52 | 170.2 | 0 | 0 | 0 | 113.9 | ||||
| 630 | S | 21.8 | Very low | 22.6 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -146.9 | 147.8 | 13.6 | -51.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 631 | S | 21 | Very low | 22 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | 43.6 | 114.8 | 134 | 65.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 632 | E | 19.7 | Very low | 21.7 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 77.3 | 139.9 | 95.6 | -70.7 | 171.2 | -172.5 | 0 | 0 | 113.3 | |||||
| 633 | E | 20.2 | Very low | 21.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | cis | -152.7 | 167.7 | 2.4 | -118.2 | -176.8 | 170.8 | 0 | 0 | 109.1 | ||||
| 634 | P | 27.4 | Very low | 21 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -91.5 | 141.3 | -175.4 | 35.4 | -30.9 | 0 | 0 | 0 | 113.1 | ||||
| 635 | M | 18.7 | Very low | 20.8 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -129.1 | 130.8 | 161.6 | -78.3 | -64.1 | -74.4 | 0 | 0 | 111.2 | ||||
| 636 | H | 20.4 | Very low | 20.8 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -88.1 | 160 | -178.5 | -104.5 | -114.5 | 0 | 0 | 0 | 112.3 | ||||
| 637 | E | 19.7 | Very low | 20.7 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 81.5 | 153.5 | 144 | -80.6 | 172.8 | -176.1 | 0 | 0 | 123.1 | ||||
| 638 | N | 22.8 | Very low | 20.6 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 73.7 | 106 | 173.5 | -50.3 | -45.8 | 0 | 0 | 0 | 114.8 | ||||
| 639 | I | 18.6 | Very low | 20.7 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | cis | 62.1 | 89.3 | 43.6 | -46.1 | 179.2 | 0 | 0 | 0 | 113.7 | ||||
| 640 | S | 20.6 | Very low | 20.6 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -174 | 103.8 | 143.9 | 54.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 641 | T | 19.7 | Very low | 20.5 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | 57.6 | 142.8 | 89.2 | 62.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 642 | V | 22.9 | Very low | 20.5 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 113.2 | 98.6 | 160.4 | -178.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 643 | H | 21 | Very low | 20.6 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 52.8 | 107.2 | 133.7 | -75.2 | -62.4 | 0 | 0 | 0 | 122.7 | ||||
| 644 | S | 18.7 | Very low | 20.7 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | 59.8 | 152.6 | 111.4 | 71.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 645 | H | 21.6 | Very low | 20.3 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | 83.7 | 107.3 | 166.4 | -65.7 | -70.6 | 0 | 0 | 0 | 117.6 | ||||
| 646 | N | 18.7 | Very low | 20.5 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 3.1 | 126.1 | 129.6 | -58.5 | -11.8 | 0 | 0 | 0 | 115.4 | |||||
| 647 | L | 21.3 | Very low | 20.4 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | -156.6 | 146.5 | 123.2 | -107.5 | 161.4 | 0 | 0 | 0 | 110.9 | |||||
| 648 | T | 19 | Very low | 20.5 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -75.2 | 134.8 | 173.9 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 649 | D | 20.1 | Very low | 20.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | -161.7 | 120.8 | 142 | -99.7 | -27.5 | 0 | 0 | 0 | 107 | ||||
| 650 | K | 20 | Very low | 20.2 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | 76.9 | 150.8 | 81.7 | -79.8 | -162.8 | -157.7 | 97.3 | 0 | 113.3 | |||||
| 651 | C | 18.6 | Very low | 20.3 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | 74.5 | 137.6 | 171.5 | -61 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 652 | L | 21.6 | Very low | 20.3 | Very low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -152.3 | 149.2 | -5.7 | -114.2 | 163.7 | 0 | 0 | 0 | 110.6 | ||||
| 653 | N | 20.4 | Very low | 20.1 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -31.1 | 139.8 | 161.4 | -56.2 | -33.9 | 0 | 0 | 0 | 114.6 | ||||
| 654 | E | 22.8 | Very low | 20 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 119.1 | 137.4 | -131.2 | 169.1 | -150.8 | 0 | 0 | 112 | ||||
| 655 | S | 18.5 | Very low | 20.1 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -72.3 | 132.2 | -170 | -43.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 656 | L | 23.7 | Very low | 19.9 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -139.3 | 96.1 | 152.7 | -96.2 | 174.5 | 0 | 0 | 0 | 110.8 | ||||
| 657 | S | 17.6 | Very low | 20 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -104.6 | 128.9 | 177.4 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 658 | V | 22.1 | Very low | 19.9 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -149.9 | 133.5 | 156.9 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 659 | A | 19.5 | Very low | 19.9 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | 54.7 | 114.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 660 | S | 16.8 | Very low | 20 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | cis | 73.8 | 94.7 | 37.7 | -46.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 661 | A | 21 | Very low | 19.9 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 167.7 | 144 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 662 | E | 19.9 | Very low | 20.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | cis | -162.8 | 159.6 | -30.7 | -137.6 | -179.4 | -127.7 | 0 | 0 | 108.4 | ||||
| 663 | N | 20.4 | Very low | 20.1 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | 62.6 | 95 | 158.2 | -55.1 | -33.5 | 0 | 0 | 0 | 120.2 | ||||
| 664 | S | 17.4 | Very low | 20.1 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -40.7 | 134.1 | 135.7 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 665 | S | 20.6 | Very low | 20 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -159.5 | 134.7 | 134 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 666 | S | 18.5 | Very low | 20.1 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -62.3 | 135.5 | 172.1 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 667 | I | 21 | Very low | 20.2 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -121.9 | 113.4 | 157.9 | -70.9 | 179 | 0 | 0 | 0 | 109.4 | ||||
| 668 | T | 18.3 | Very low | 20.4 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | trans | -88.9 | 144.1 | 173.3 | 43.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 669 | L | 18.5 | Very low | 20.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 47.8 | 114.5 | 146.2 | -59.7 | 173.1 | 0 | 0 | 0 | 119 | ||||
| 670 | K | 22.2 | Very low | 20.7 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | trans | -129 | 134.7 | 139.7 | -87.2 | -168.8 | 175.6 | 178.1 | 0 | 111.4 | ||||
| 671 | N | 19.2 | Very low | 21.1 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -80.5 | 150.8 | -176.5 | -61.1 | -39 | 0 | 0 | 0 | 111.7 | ||||
| 672 | G | 22.8 | Very low | 21.1 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -148.5 | 68.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 673 | T | 20 | Very low | 21.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -43.7 | 131.1 | 167.3 | 47 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 674 | E | 22.4 | Very low | 21.5 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 102.9 | 132.7 | -114.5 | 169.1 | -153.1 | 0 | 0 | 114.8 | ||||
| 675 | R | 20.3 | Very low | 21.9 | Very low | 216 Ų | 216 | 145.6 Ų | 145.6 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 47.8 | 111.9 | 139.6 | -65.6 | 179.1 | 176 | 174.5 | -0 | 121.8 | ||||
| 676 | N | 20.6 | Very low | 22 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | 61.8 | 110.5 | 123.4 | -54.7 | 2.4 | 0 | 0 | 0 | 119.6 | |||||
| 677 | N | 25.6 | Very low | 22.4 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | -156.9 | 151.3 | 96.7 | -99.1 | -23.4 | 0 | 0 | 0 | 112.5 | |||||
| 678 | S | 21.8 | Very low | 22.3 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -97.5 | 139.1 | -166.5 | 53.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 679 | S | 27.2 | Very low | 22.6 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -154.2 | 120 | 132.4 | 46.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 680 | N | 20.4 | Very low | 22.8 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -72.1 | 139.2 | 171.6 | -65.6 | -27.2 | 0 | 0 | 0 | 109.4 | ||||
| 681 | Y | 25.8 | Very low | 22.8 | Very low | 243 Ų | 243 | 145.2 Ų | 145.2 | 95% | 0.953 | 82% | 0.817 | S | S | * | * | -140.4 | 142.3 | 122.2 | -104 | -76.6 | 0 | 0 | 0 | 109.6 | |||||
| 682 | D | 20.7 | Very low | 23.1 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | -102.2 | 173.7 | -168.8 | -172.1 | 13.8 | 0 | 0 | 0 | 110.6 | ||||
| 683 | S | 23.7 | Very low | 23 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 68.8 | 145 | -175.2 | 78.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 684 | G | 24.2 | Very low | 23.1 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | cis | 171.8 | 135.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 685 | Q | 26.5 | Very low | 23.1 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 35.7 | 126.6 | 157.2 | -63.3 | 179.9 | -7.6 | 0 | 0 | 120.9 | ||||
| 686 | N | 22 | Very low | 23.3 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -14.2 | 135.4 | 143.9 | -73.2 | -31 | 0 | 0 | 0 | 116.2 | ||||
| 687 | I | 26.4 | Very low | 23.3 | Very low | 168 Ų | 168 | 148 Ų | 148 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | trans | -157.7 | 141 | 131.6 | -93.7 | 136.1 | 0 | 0 | 0 | 109.3 | ||||
| 688 | N | 20 | Very low | 23.3 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 132.2 | 174.8 | -61 | -49.8 | 0 | 0 | 0 | 111.8 | ||||
| 689 | A | 24.6 | Very low | 23.4 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -162.4 | 137.7 | 143.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I691 | A689-I691 PolarHBondContact O-N 3.41Š| ||
| 690 | S | 22 | Very low | 23.4 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -50.6 | 120.1 | 176.9 | -49.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 691 | I | 23.5 | Very low | 23.7 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -126.5 | 106.9 | 153.7 | -61.8 | -178.4 | 0 | 0 | 0 | 107.7 | A689 L693 | A689-I691 PolarHBondContact O-N 3.41Å; I691-L693 PolarHBondContact O-N 3.23Å | ||
| 692 | Q | 24.2 | Very low | 23.8 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 123.3 | 172.2 | -73.4 | 176.6 | -22.1 | 0 | 0 | 109.3 | I694 | Q692-I694 VanDerWaalsContact C-N 3.31Å; Q692-I694 PolarHBondContact O-N 3.26Å | ||
| 693 | L | 21.7 | Very low | 24 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -72 | 86.3 | 172 | -71.3 | 170.5 | 0 | 0 | 0 | 109.6 | I691 V695 | I691-L693 PolarHBondContact O-N 3.23Å; L693-V695 PolarHBondContact O-N 3.08Å | ||
| 694 | I | 22.7 | Very low | 24.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 101 | 169.5 | -64.3 | 178.2 | 0 | 0 | 0 | 108.2 | Q692 R696 | Q692-I694 VanDerWaalsContact C-N 3.31Å; Q692-I694 PolarHBondContact O-N 3.26Å; I694-R696 PolarHBondContact O-N 3.2Å | ||
| 695 | V | 22 | Very low | 24.2 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -60.7 | 105 | 166.4 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | L693 | L693-V695 PolarHBondContact O-N 3.08Š| ||
| 696 | R | 23.1 | Very low | 23.9 | Very low | 226 Ų | 226 | 150.5 Ų | 150.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -97.4 | 110.3 | 173.4 | -168.2 | 170.3 | 179.9 | 92.4 | 0 | 110.1 | I694 | I694-R696 PolarHBondContact O-N 3.2Š| ||
| 697 | V | 21.8 | Very low | 24 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 698 | P | 25.1 | Very low | 23.8 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.7 | 175.7 | -19.8 | 32.8 | 0 | 0 | 0 | 112.4 | ||
| 699 | T | 24.1 | Very low | 23.9 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 149.9 | 172 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | S701 | T699-S701 PolarHBondContact O-N 3.48Š|
| 700 | P | 27.3 | Very low | 23.7 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -75.2 | 80.4 | -167.3 | 31.2 | -37.4 | 0 | 0 | 0 | 114 | ||
| 701 | S | 27.2 | Very low | 23.8 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -122.4 | -9.7 | 167.5 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | T699 L703 | T699-S701 PolarHBondContact O-N 3.48Å; S701-L703 PolarHBondContact O-N 3.47Å | ||
| 702 | D | 26.5 | Very low | 23.6 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -77.7 | 18.3 | -170.7 | -65.2 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 703 | L | 24.6 | Very low | 23.4 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -133.7 | 76.6 | 178.8 | -71.1 | 177.2 | 0 | 0 | 0 | 112.5 | S701 | S701-L703 PolarHBondContact O-N 3.47Š| ||
| 704 | K | 26.8 | Very low | 23.4 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -166.1 | 118.5 | 139.8 | -106.6 | 152.7 | -170.4 | 178.4 | 0 | 114.6 | ||
| 705 | L | 26.8 | Very low | 23.2 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 22.8 | 106.3 | 149.8 | -76.4 | 154.7 | 0 | 0 | 0 | 119 | N707 | L705-N707 PolarHBondContact O-N 3.28Š| ||
| 706 | R | 20.1 | Very low | 23.1 | Very low | 242 Ų | 242 | 150.4 Ų | 150.4 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -76.4 | 105 | 167.2 | -178.4 | -173.5 | -165.5 | 173.9 | 4.7 | 110.5 | ||||
| 707 | N | 23.3 | Very low | 22.9 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -132.3 | 130.1 | 157.6 | -103.3 | 5.3 | 0 | 0 | 0 | 110 | L705 | L705-N707 PolarHBondContact O-N 3.28Š| ||
| 708 | D | 21.8 | Very low | 22.7 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 21.2 | 111 | 169.9 | -64.3 | -46.7 | 0 | 0 | 0 | 123.1 | ||||
| 709 | K | 22.3 | Very low | 22.3 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | 53.7 | 139 | 125.6 | -65.8 | -175.9 | 179.4 | 177.1 | 0 | 122 | |||||
| 710 | S | 21.5 | Very low | 22.1 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | 74.2 | 96.2 | 157.8 | 23.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 711 | S | 22.9 | Very low | 21.8 | Very low | 103 Ų | 103 | 154.5 Ų | 154.5 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | 63.9 | 115.6 | 125.6 | 57.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 712 | E | 20.5 | Very low | 21.4 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | 67.4 | 89.6 | 138.3 | -58.6 | -168.9 | 159.1 | 0 | 0 | 118.5 | ||||
| 713 | S | 19.2 | Very low | 21.2 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -97.9 | 115.6 | 153.7 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 714 | K | 21.1 | Very low | 21.2 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -114.2 | 142 | 161.5 | -92.8 | 179.9 | 177.1 | 171 | 0 | 109.2 | ||||
| 715 | T | 19.1 | Very low | 20.9 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | 59.7 | 107.5 | 153.5 | 52.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 716 | V | 19 | Very low | 20.5 | Very low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | 62.1 | 123 | 115.5 | 177.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 717 | A | 19 | Very low | 20.5 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 89.3 | 139.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 718 | T | 18.7 | Very low | 20.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 70.5 | 107.2 | 152.6 | 47.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 719 | E | 16.8 | Very low | 20.1 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | 26.7 | 122.6 | 127.9 | -56.5 | -173 | 149.8 | 0 | 0 | 122.6 | |||||
| 720 | K | 20.6 | Very low | 20 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | 168.1 | 117.2 | 129.8 | -90.5 | 154.5 | -173.4 | 174.9 | 0 | 109.2 | |||||
| 721 | K | 19.1 | Very low | 19.9 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | 67.1 | 110.5 | 86.2 | -85.6 | -167.8 | 175.1 | -178.6 | 0 | 117.1 | |||||
| 722 | N | 19.9 | Very low | 20 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | 66.3 | 158.8 | 152.2 | -48.2 | -3.9 | 0 | 0 | 0 | 116.5 | ||||
| 723 | V | 21.9 | Very low | 20 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -147.6 | 154.8 | 21.6 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 724 | P | 24.2 | Very low | 20.1 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -97.2 | 170.8 | -175.8 | 38.7 | -36.2 | 0 | 0 | 0 | 115.7 | ||||
| 725 | I | 21.4 | Very low | 20.1 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | trans | -131.5 | 136.9 | 169.4 | -64.9 | 179.1 | 0 | 0 | 0 | 110.6 | ||||
| 726 | T | 17.9 | Very low | 20.3 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -99.1 | 174.1 | 179.8 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 727 | L | 19.5 | Very low | 20.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 166.9 | 116.3 | 130.1 | -85.5 | 164.3 | 0 | 0 | 0 | 114.8 | ||||
| 728 | I | 19.4 | Very low | 20.5 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | 66.7 | 139 | 131.3 | -61.5 | -178.9 | 0 | 0 | 0 | 124.2 | ||||
| 729 | S | 18.5 | Very low | 20.7 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -73.1 | 172.1 | -178.3 | -30.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 730 | T | 20 | Very low | 20.9 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | -179.2 | 136.6 | 116.4 | 26.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 731 | D | 20.5 | Very low | 21 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | trans | 61.5 | 133.2 | 136.1 | -75.4 | 17 | 0 | 0 | 0 | 128.1 | ||||
| 732 | K | 24.3 | Very low | 21.6 | Very low | 166 Ų | 166 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 106.6 | 114.7 | 131.4 | -79.5 | 156.5 | -170.1 | 138.3 | 0 | 123.8 | ||||
| 733 | N | 20.5 | Very low | 21.8 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 72.5 | 106.9 | 129.8 | -67.8 | -3.7 | 0 | 0 | 0 | 124.4 | |||||
| 734 | H | 21.1 | Very low | 21.8 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | 42.6 | 109.7 | 114.3 | -85.5 | -76.4 | 0 | 0 | 0 | 121.4 | |||||
| 735 | N | 21.6 | Very low | 21.7 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | 159.9 | 143.1 | 93.5 | -91.2 | -21.4 | 0 | 0 | 0 | 116.4 | |||||
| 736 | N | 22.7 | Very low | 21.6 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | 78.8 | 115.6 | 142.1 | -76.6 | -9 | 0 | 0 | 0 | 125.4 | ||||
| 737 | I | 22.6 | Very low | 21.8 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 85.8 | 104.8 | 126.3 | -61.2 | 168.4 | 0 | 0 | 0 | 119.8 | |||||
| 738 | Q | 19.8 | Very low | 22 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | 20.4 | 118.2 | 134.4 | -54.7 | 175.3 | -15.7 | 0 | 0 | 119 | ||||
| 739 | K | 22.2 | Very low | 22.1 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | -176 | 138.4 | 95.5 | -100.2 | 174.4 | -177.2 | 175.9 | 0 | 113.6 | N741 | K739-N741 PolarHBondContact O-N 3.11Š| |||
| 740 | D | 20.8 | Very low | 22.5 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 11.1 | 101.6 | 137.1 | -45.6 | -37.6 | 0 | 0 | 0 | 117.2 | ||||
| 741 | N | 23.1 | Very low | 22.7 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | -178.8 | 142.6 | 127.7 | -91.2 | -42.5 | 0 | 0 | 0 | 109.5 | K739 P743 | K739-N741 PolarHBondContact O-N 3.11Å; N741-P743 VanDerWaalsContact O-CD 3.24Å; N741-P743 WeakPolarHBondContact O-CD 3.38Å | |||
| 742 | C | 31.2 | Very low | 23 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 91% | 0.905 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 127 | 168.7 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 743 | P | 25.2 | Very low | 23.1 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -142 | 167.2 | 132.4 | 37.8 | -24.8 | 0 | 0 | 0 | 114.7 | N741 | N741-P743 VanDerWaalsContact O-CD 3.24Å; N741-P743 WeakPolarHBondContact O-CD 3.38Å | ||
| 744 | H | 21.4 | Very low | 23.4 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -44 | 148.9 | 166.8 | -53.4 | -93.5 | 0 | 0 | 0 | 115.3 | ||||
| 745 | F | 21.8 | Very low | 23.6 | Very low | 188 Ų | 188 | 138 Ų | 138 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -169.4 | 110.6 | 129.6 | -89.6 | -65.1 | 0 | 0 | 0 | 107.1 | |||||
| 746 | T | 19.6 | Very low | 23.7 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | 59.3 | 135.9 | 97.7 | 67.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 747 | S | 23 | Very low | 24 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 66.9 | 128.4 | 140.5 | 62.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 748 | S | 22.8 | Very low | 24.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 62.5 | 106.8 | 135.7 | 63.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 749 | G | 22.5 | Very low | 25.2 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | 101.2 | 152.5 | 114 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 750 | V | 25.6 | Very low | 25.8 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 71.7 | 94.3 | 172.2 | -165.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 751 | D | 25.1 | Very low | 26.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | 21.3 | 113.2 | 129.9 | -55.6 | -47 | 0 | 0 | 0 | 118 | |||||
| 752 | D | 26.7 | Very low | 28 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -139.3 | 122.6 | 144.4 | -137.7 | -17.3 | 0 | 0 | 0 | 111.2 | T754 | D752-T754 PolarHBondContact O-N 3.12Å; D752-T754 VanDerWaalsContact O-N 3.14Å | ||
| 753 | K | 26.5 | Very low | 29.1 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -86.4 | 83.3 | -169.4 | -71.1 | 177.2 | 179.9 | 172.3 | 0 | 111.4 | ||||
| 754 | T | 25.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | -138.9 | 136.4 | 149.8 | 51.6 | 0 | 0 | 0 | 0 | 111.1 | D752 R756 | D752-T754 PolarHBondContact O-N 3.12Å; D752-T754 VanDerWaalsContact O-N 3.14Å; T754-R756 VanDerWaalsContact C-N 3.29Å; T754-R756 PolarHBondContact O-N 3.34Å | ||
| 755 | P | 25.1 | Very low | 33.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | trans | -76.2 | 80 | -177.1 | 31.7 | -35.3 | 0 | 0 | 0 | 110.8 | N757 | P755-N757 VanDerWaalsContact C-N 3.35Å; P755-N757 PolarHBondContact O-N 3.31Å | ||
| 756 | R | 25.2 | Very low | 35.9 | Very low | 224 Ų | 224 | 129.1 Ų | 129.1 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -69.7 | 98.5 | 161.1 | -77.1 | -170.3 | 176.5 | -176.9 | 1.1 | 108.4 | T754 S758 | T754-R756 VanDerWaalsContact C-N 3.29Å; T754-R756 PolarHBondContact O-N 3.34Å; R756-S758 PolarHBondContact O-N 3.15Å | ||
| 757 | N | 27.5 | Very low | 38.6 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | -53.3 | 86.7 | 161.2 | -84.3 | -41.2 | 0 | 0 | 0 | 109.9 | P755 K759 | P755-N757 VanDerWaalsContact C-N 3.35Å; P755-N757 PolarHBondContact O-N 3.31Å; N757-K759 PolarHBondContact O-N 3.39Å | ||
| 758 | S | 28.7 | Very low | 40.8 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | trans | -73.3 | 65.1 | 162.4 | 48.6 | 0 | 0 | 0 | 0 | 108.8 | R756 H760 | R756-S758 PolarHBondContact O-N 3.15Å; S758-H760 PolarHBondContact O-N 3.21Å | ||
| 759 | K | 38.5 | Very low | 43.1 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | trans | -55.3 | 99.6 | 154.2 | -76.7 | -170.4 | 176.8 | -172.5 | 0 | 105.4 | N757 L761 | N757-K759 PolarHBondContact O-N 3.39Å; K759-L761 HydrophobicContact CB-CD1 4.23Å; K759-L761 WeakPolarHBondContact O-CD1 3.39Å; K759-L761 PolarHBondContact O-N 2.87Å | ||
| 760 | H | 36.5 | Very low | 45.4 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | trans | -72.4 | 83 | 176.5 | -151.7 | -59.2 | 0 | 0 | 0 | 105.9 | S758 P762 | S758-H760 PolarHBondContact O-N 3.21Å; H760-P762 VanDerWaalsContact O-N 3.15Å | ||
| 761 | L | 39.9 | Very low | 47.8 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 63% | 0.627 | S | S | . | * | trans | -52.2 | 126.7 | 174 | -87.4 | 80 | 0 | 0 | 0 | 106.4 | K759 Y763 | K759-L761 HydrophobicContact CB-CD1 4.23Å; K759-L761 WeakPolarHBondContact O-CD1 3.39Å; K759-L761 PolarHBondContact O-N 2.87Å; L761-Y763 PolarHBondContact O-N 3.33Å | ||
| 762 | P | 48.9 | Very low | 50.3 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 76% | 0.76 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -63.8 | -18.9 | -167.6 | 22.4 | -33 | 0 | 0 | 0 | 112.6 | H760 | H760-P762 VanDerWaalsContact O-N 3.15Š|
| 763 | Y | 54.3 | Low | 52.6 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -132.7 | 149.1 | 167.3 | -66 | -82 | 0 | 0 | 0 | 109.8 | L761 Y767 | L761-Y763 PolarHBondContact O-N 3.33Å; Y763-Y767 AromaticContact CD1-CD1 3.56Å; Y763-Y767 HydrophobicContact CD1-CD1 3.56Å; Y763-Y767 AromaticContact CD1-CE1 3.71Å; Y763-Y767 HydrophobicContact CD1-CE1 3.71Å; Y763-Y767 HydrophobicContact CD1-CG 4.16Å; Y763-Y767 HydrophobicContact CE1-CD1 4.41Å; Y763-Y767 HydrophobicContact CE1-CE1 4.13Å; Y763-Y767 AromaticContact CG-CD1 3.81Å; Y763-Y767 HydrophobicContact CG-CD1 3.81Å; Y763-Y767 HydrophobicContact CG-CE1 4.16Å |
| 764 | S | 72.5 | Confident | 54.9 | Low | 74 Ų | 74 | 107.2 Ų | 107.2 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | trans | -64.5 | 145.4 | 171.7 | 63.2 | 0 | 0 | 0 | 0 | 110 | I766 Y767 L768 | S764-I766 PolarHBondContact O-N 3.44Å; S764-I766 VanDerWaalsContact O-N 3.11Å; S764-Y767 WeakPolarHBondContact O-CA 3.17Å; S764-Y767 WeakPolarHBondContact O-CB 3.37Å; S764-Y767 PolarHBondContact O-N 2.93Å; S764-Y767 PolarHBondContact OG-N 3.16Å; S764-L768 PolarHBondContact O-N 2.94Å | ||
| 765 | Q | 67.8 | Low | 57.1 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.1 | -36.2 | 176.2 | -169.6 | 66.9 | 12.8 | 0 | 0 | 111.6 | Y767 L768 E769 | Q765-Y767 VanDerWaalsContact C-N 3.31Å; Q765-Y767 PolarHBondContact O-N 2.99Å; Q765-L768 PolarHBondContact O-N 3.14Å; Q765-E769 HydrophobicContact CG-CG 4.24Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.15Å; Q765-E769 PolarHBondContact NE2-OE1 3.14Å; Q765-E769 WeakPolarHBondContact O-CB 3.36Å; Q765-E769 WeakPolarHBondContact O-CG 3.43Å; Q765-E769 PolarHBondContact O-N 2.9Å |
| 766 | I | 72.3 | Confident | 59.2 | Low | 110 Ų | 110 | 100.5 Ų | 100.5 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.7 | -39.2 | 174.7 | -57.7 | 174.3 | 0 | 0 | 0 | 112 | S764 K770 | S764-I766 PolarHBondContact O-N 3.44Å; S764-I766 VanDerWaalsContact O-N 3.11Å; I766-K770 HydrophobicContact CG2-CD 4.3Å; I766-K770 WeakPolarHBondContact O-CB 3.31Å; I766-K770 PolarHBondContact O-N 3.5Å |
| 767 | Y | 76 | Confident | 61.4 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 28% | 0.278 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -66.5 | -46.6 | 175.9 | -179.6 | -95.5 | 0 | 0 | 0 | 111 | Y763 S764 Q765 E769 E771 L772 I775 | Y763-Y767 AromaticContact CD1-CD1 3.56Å; Y763-Y767 HydrophobicContact CD1-CD1 3.56Å; Y763-Y767 AromaticContact CD1-CE1 3.71Å; Y763-Y767 HydrophobicContact CD1-CE1 3.71Å; Y763-Y767 HydrophobicContact CD1-CG 4.16Å; Y763-Y767 HydrophobicContact CE1-CD1 4.41Å; Y763-Y767 HydrophobicContact CE1-CE1 4.13Å; Y763-Y767 AromaticContact CG-CD1 3.81Å; Y763-Y767 HydrophobicContact CG-CD1 3.81Å; Y763-Y767 HydrophobicContact CG-CE1 4.16Å; S764-Y767 WeakPolarHBondContact O-CA 3.17Å; S764-Y767 WeakPolarHBondContact O-CB 3.37Å; S764-Y767 PolarHBondContact O-N 2.93Å; S764-Y767 PolarHBondContact OG-N 3.16Å; Q765-Y767 VanDerWaalsContact C-N 3.31Å; Q765-Y767 PolarHBondContact O-N 2.99Å; Y767-E769 PolarHBondContact O-N 3.08Å; Y767-E771 HydrophobicContact CD2-CB 3.55Å; Y767-E771 HydrophobicContact CD2-CG 4.19Å; Y767-E771 HydrophobicContact CE2-CB 3.84Å; Y767-E771 HydrophobicContact CG-CB 4.28Å; Y767-E771 PolarHBondContact O-N 3.26Å; Y767-E771 VanDerWaalsContact O-N 3.11Å; Y767-L772 HydrophobicContact CD1-CB 4.3Å; Y767-L772 HydrophobicContact CE1-CB 4.07Å; Y767-L772 HydrophobicContact CE1-CD1 4.23Å; Y767-L772 WeakPolarHBondContact O-CB 3.43Å; Y767-L772 PolarHBondContact O-N 3.07Å; Y767-I775 HydrophobicContact CE2-CD1 3.98Å |
| 768 | L | 69.4 | Low | 63.3 | Low | 32 Ų | 32 | 95.2 Ų | 95.2 | 17% | 0.168 | 47% | 0.468 | C | S | . | . | I | π-helix | trans | -64.7 | -37 | 179.5 | -62.5 | 178.9 | 0 | 0 | 0 | 113 | S764 Q765 L772 P773 V808 | S764-L768 PolarHBondContact O-N 2.94Å; Q765-L768 PolarHBondContact O-N 3.14Å; L768-L772 HydrophobicContact CD2-CD2 3.66Å; L768-P773 WeakPolarHBondContact O-CD 3.31Å; L768-V808 HydrophobicContact CD2-CG1 4.23Å |
| 769 | E | 69.8 | Low | 65 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | I | π-helix | trans | -87.8 | -24.2 | -176.8 | -70 | 177.1 | 177.6 | 0 | 0 | 114.6 | Q765 Y767 P773 | Q765-E769 HydrophobicContact CG-CG 4.24Å; Q765-E769 VanDerWaalsContact CG-OE1 3.31Å; Q765-E769 WeakPolarHBondContact CG-OE1 3.15Å; Q765-E769 PolarHBondContact NE2-OE1 3.14Å; Q765-E769 WeakPolarHBondContact O-CB 3.36Å; Q765-E769 WeakPolarHBondContact O-CG 3.43Å; Q765-E769 PolarHBondContact O-N 2.9Å; Y767-E769 PolarHBondContact O-N 3.08Å; E769-P773 WeakPolarHBondContact O-CG 3.46Å |
| 770 | K | 72.1 | Confident | 66.2 | Low | 136 Ų | 136 | 90 Ų | 90 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | I | π-helix | trans | -122.3 | -50.7 | -174.1 | -60.3 | -172.7 | -179.6 | 177 | 0 | 114.5 | I766 L774 | I766-K770 HydrophobicContact CG2-CD 4.3Å; I766-K770 WeakPolarHBondContact O-CB 3.31Å; I766-K770 PolarHBondContact O-N 3.5Å; K770-L774 VanDerWaalsContact O-CD1 3.32Å; K770-L774 WeakPolarHBondContact O-CD1 3.27Å; K770-L774 VanDerWaalsContact O-CG 3.25Å; K770-L774 WeakPolarHBondContact O-CG 3.39Å |
| 771 | E | 74.3 | Confident | 67.3 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -81.1 | -47.1 | -174.9 | -70.6 | -62.4 | 151.2 | 0 | 0 | 112.2 | Y767 L774 I775 | Y767-E771 HydrophobicContact CD2-CB 3.55Å; Y767-E771 HydrophobicContact CD2-CG 4.19Å; Y767-E771 HydrophobicContact CE2-CB 3.84Å; Y767-E771 HydrophobicContact CG-CB 4.28Å; Y767-E771 PolarHBondContact O-N 3.26Å; Y767-E771 VanDerWaalsContact O-N 3.11Å; E771-L774 CarbonylContact O-C 3.54Å; E771-L774 WeakPolarHBondContact O-CB 3.14Å; E771-L774 PolarHBondContact O-N 2.93Å; E771-L774 VanDerWaalsContact O-N 3.1Å; E771-I775 HydrophobicContact CB-CD1 4.36Å; E771-I775 VanDerWaalsContact O-CG1 3.28Å; E771-I775 WeakPolarHBondContact O-CG1 3.47Å; E771-I775 PolarHBondContact O-N 2.84Å |
| 772 | L | 78.1 | Confident | 68.2 | Low | 22 Ų | 22 | 88.2 Ų | 88.2 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | -179.5 | -174.9 | 63.7 | 0 | 0 | 0 | 113.4 | Y767 L768 L774 I775 L776 V809 | Y767-L772 HydrophobicContact CD1-CB 4.3Å; Y767-L772 HydrophobicContact CE1-CB 4.07Å; Y767-L772 HydrophobicContact CE1-CD1 4.23Å; Y767-L772 WeakPolarHBondContact O-CB 3.43Å; Y767-L772 PolarHBondContact O-N 3.07Å; L768-L772 HydrophobicContact CD2-CD2 3.66Å; L772-L774 VanDerWaalsContact C-N 3.32Å; L772-L774 PolarHBondContact O-N 2.95Å; L772-I775 PolarHBondContact O-N 3.37Å; L772-L776 HydrophobicContact CD1-CD1 4.16Å; L772-L776 HydrophobicContact CD1-CG 4.15Å; L772-L776 HydrophobicContact CG-CD1 3.97Å; L772-L776 HydrophobicContact CG-CG 4.38Å; L772-L776 WeakPolarHBondContact O-CB 3.36Å; L772-L776 VanDerWaalsContact O-CG 3.31Å; L772-L776 WeakPolarHBondContact O-CG 3.24Å; L772-L776 PolarHBondContact O-N 3.34Å; L772-V809 HydrophobicContact CD2-CG2 3.57Å; L772-V809 HydrophobicContact CG-CG2 4.05Å |
| 773 | P | 74.4 | Confident | 68.1 | Low | 28 Ų | 28 | 85.3 Ų | 85.3 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | 173.7 | -6 | 14.7 | 0 | 0 | 0 | 112.3 | L768 E769 K777 V809 | L768-P773 WeakPolarHBondContact O-CD 3.31Å; E769-P773 WeakPolarHBondContact O-CG 3.46Å; P773-K777 WeakPolarHBondContact O-CB 3.28Å; P773-K777 PolarHBondContact O-N 3.45Å; P773-V809 HydrophobicContact CB-CG1 3.87Å; P773-V809 HydrophobicContact CG-CG1 3.58Å |
| 774 | L | 75.5 | Confident | 67.7 | Low | 88 Ų | 88 | 85.6 Ų | 85.6 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 176.3 | -70.7 | 173.8 | 0 | 0 | 0 | 112.2 | K770 E771 L772 R778 | K770-L774 VanDerWaalsContact O-CD1 3.32Å; K770-L774 WeakPolarHBondContact O-CD1 3.27Å; K770-L774 VanDerWaalsContact O-CG 3.25Å; K770-L774 WeakPolarHBondContact O-CG 3.39Å; E771-L774 CarbonylContact O-C 3.54Å; E771-L774 WeakPolarHBondContact O-CB 3.14Å; E771-L774 PolarHBondContact O-N 2.93Å; E771-L774 VanDerWaalsContact O-N 3.1Å; L772-L774 VanDerWaalsContact C-N 3.32Å; L772-L774 PolarHBondContact O-N 2.95Å; L774-R778 WeakPolarHBondContact O-CB 3.25Å; L774-R778 VanDerWaalsContact O-CG 3.29Å; L774-R778 WeakPolarHBondContact O-CG 3.09Å; L774-R778 PolarHBondContact O-N 2.96Å |
| 775 | I | 72.2 | Confident | 66.5 | Low | 69 Ų | 69 | 90.5 Ų | 90.5 | 35% | 0.354 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 175.6 | -67.9 | 163.8 | 0 | 0 | 0 | 110.3 | Y767 E771 L772 R778 Y779 | Y767-I775 HydrophobicContact CE2-CD1 3.98Å; E771-I775 HydrophobicContact CB-CD1 4.36Å; E771-I775 VanDerWaalsContact O-CG1 3.28Å; E771-I775 WeakPolarHBondContact O-CG1 3.47Å; E771-I775 PolarHBondContact O-N 2.84Å; L772-I775 PolarHBondContact O-N 3.37Å; I775-R778 PolarHBondContact O-N 3.14Å; I775-Y779 WeakPolarHBondContact O-CB 3.29Å; I775-Y779 PolarHBondContact O-N 2.84Å |
| 776 | L | 70.2 | Confident | 65.5 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63 | -43 | 175.5 | -73.2 | 172.9 | 0 | 0 | 0 | 111.3 | L772 R778 Y779 L780 I801 V809 L812 | L772-L776 HydrophobicContact CD1-CD1 4.16Å; L772-L776 HydrophobicContact CD1-CG 4.15Å; L772-L776 HydrophobicContact CG-CD1 3.97Å; L772-L776 HydrophobicContact CG-CG 4.38Å; L772-L776 WeakPolarHBondContact O-CB 3.36Å; L772-L776 VanDerWaalsContact O-CG 3.31Å; L772-L776 WeakPolarHBondContact O-CG 3.24Å; L772-L776 PolarHBondContact O-N 3.34Å; L776-R778 PolarHBondContact O-N 3.49Å; L776-Y779 WeakPolarHBondContact O-CB 3.23Å; L776-Y779 PolarHBondContact O-N 2.83Å; L776-Y779 VanDerWaalsContact O-N 3.11Å; L776-L780 WeakPolarHBondContact O-CB 3.46Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 3.35Å; L776-I801 HydrophobicContact CD1-CD1 4.35Å; L776-V809 HydrophobicContact CD1-CG2 3.97Å; L776-L812 HydrophobicContact CB-CD1 4.15Å; L776-L812 HydrophobicContact CD1-CD1 3.73Å |
| 777 | K | 70.7 | Confident | 64.4 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 172.7 | 179.8 | 170.9 | 176.7 | 175.1 | 0 | 111.5 | P773 Y779 L780 E781 | P773-K777 WeakPolarHBondContact O-CB 3.28Å; P773-K777 PolarHBondContact O-N 3.45Å; K777-Y779 VanDerWaalsContact C-N 3.32Å; K777-Y779 PolarHBondContact O-N 3.15Å; K777-L780 PolarHBondContact O-N 2.94Å; K777-E781 WeakPolarHBondContact CE-OE1 3.22Å; K777-E781 HydrophobicContact CG-CG 4.24Å; K777-E781 IonicContact NZ-OE1 3.61Å; K777-E781 VanDerWaalsContact O-CB 3.25Å; K777-E781 WeakPolarHBondContact O-CB 3.27Å; K777-E781 VanDerWaalsContact O-CG 3.23Å; K777-E781 WeakPolarHBondContact O-CG 3.3Å; K777-E781 PolarHBondContact O-N 2.88Å |
| 778 | R | 67.3 | Low | 63 | Low | 161 Ų | 161 | 88.2 Ų | 88.2 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.5 | -34.8 | 173.5 | -75.9 | 172 | 178 | 164.4 | 1.6 | 113.1 | L774 I775 L776 K782 | L774-R778 WeakPolarHBondContact O-CB 3.25Å; L774-R778 VanDerWaalsContact O-CG 3.29Å; L774-R778 WeakPolarHBondContact O-CG 3.09Å; L774-R778 PolarHBondContact O-N 2.96Å; I775-R778 PolarHBondContact O-N 3.14Å; L776-R778 PolarHBondContact O-N 3.49Å; R778-K782 WeakPolarHBondContact O-CB 3.16Å; R778-K782 VanDerWaalsContact O-CG 3.32Å; R778-K782 WeakPolarHBondContact O-CG 3.39Å; R778-K782 PolarHBondContact O-N 3.31Å |
| 779 | Y | 64.2 | Low | 61.9 | Low | 118 Ų | 118 | 90.6 Ų | 90.6 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 177.8 | -178.7 | -110.5 | 0 | 0 | 0 | 111.7 | I775 L776 K777 P799 | I775-Y779 WeakPolarHBondContact O-CB 3.29Å; I775-Y779 PolarHBondContact O-N 2.84Å; L776-Y779 WeakPolarHBondContact O-CB 3.23Å; L776-Y779 PolarHBondContact O-N 2.83Å; L776-Y779 VanDerWaalsContact O-N 3.11Å; K777-Y779 VanDerWaalsContact C-N 3.32Å; K777-Y779 PolarHBondContact O-N 3.15Å; Y779-P799 HydrophobicContact CD1-CB 3.9Å; Y779-P799 HydrophobicContact CE1-CB 3.26Å; Y779-P799 HydrophobicContact CE1-CG 4.27Å |
| 780 | L | 63.6 | Low | 60.4 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 170.8 | -66.9 | 171.4 | 0 | 0 | 0 | 112 | L776 K777 K782 E783 P799 I801 L812 | L776-L780 WeakPolarHBondContact O-CB 3.46Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 3.35Å; K777-L780 PolarHBondContact O-N 2.94Å; L780-K782 VanDerWaalsContact C-N 3.29Å; L780-K782 PolarHBondContact O-N 2.99Å; L780-E783 VanDerWaalsContact O-CB 3.32Å; L780-E783 WeakPolarHBondContact O-CB 3.39Å; L780-E783 WeakPolarHBondContact O-CG 3.17Å; L780-E783 PolarHBondContact O-N 2.91Å; L780-E783 VanDerWaalsContact O-N 3.14Å; L780-P799 WeakPolarHBondContact CD2-O 3.37Å; L780-I801 HydrophobicContact CD1-CD1 4Å; L780-I801 HydrophobicContact CD1-CG1 4.36Å; L780-I801 HydrophobicContact CD2-CG1 4.49Å; L780-L812 HydrophobicContact CD1-CD2 4.44Å |
| 781 | E | 61.1 | Low | 59.6 | Low | 107 Ų | 107 | 85.9 Ų | 85.9 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.7 | -22.3 | -180 | -74.9 | 175.1 | 165 | 0 | 0 | 113.3 | K777 E783 N784 | K777-E781 WeakPolarHBondContact CE-OE1 3.22Å; K777-E781 HydrophobicContact CG-CG 4.24Å; K777-E781 IonicContact NZ-OE1 3.61Å; K777-E781 VanDerWaalsContact O-CB 3.25Å; K777-E781 WeakPolarHBondContact O-CB 3.27Å; K777-E781 VanDerWaalsContact O-CG 3.23Å; K777-E781 WeakPolarHBondContact O-CG 3.3Å; K777-E781 PolarHBondContact O-N 2.88Å; E781-E783 PolarHBondContact O-N 3.36Å; E781-E783 VanDerWaalsContact O-N 3.07Å; E781-N784 PolarHBondContact O-N 2.96Å |
| 782 | K | 57.7 | Low | 58.1 | Low | 136 Ų | 136 | 83.8 Ų | 83.8 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -59.2 | -12.8 | 169.2 | -89.8 | 178.8 | 175.2 | -173.2 | 0 | 113.1 | R778 L780 N784 F785 | R778-K782 WeakPolarHBondContact O-CB 3.16Å; R778-K782 VanDerWaalsContact O-CG 3.32Å; R778-K782 WeakPolarHBondContact O-CG 3.39Å; R778-K782 PolarHBondContact O-N 3.31Å; L780-K782 VanDerWaalsContact C-N 3.29Å; L780-K782 PolarHBondContact O-N 2.99Å; K782-N784 PolarHBondContact O-N 3.13Å; K782-N784 VanDerWaalsContact O-N 3.1Å; K782-F785 PolarHBondContact O-N 3.46Å |
| 783 | E | 46 | Very low | 56.5 | Low | 56 Ų | 56 | 91.9 Ų | 91.9 | 26% | 0.262 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -52.4 | -27.1 | 170.5 | -82.6 | -159.2 | 178.1 | 0 | 0 | 114.2 | L780 E781 F785 N786 R798 P799 | L780-E783 VanDerWaalsContact O-CB 3.32Å; L780-E783 WeakPolarHBondContact O-CB 3.39Å; L780-E783 WeakPolarHBondContact O-CG 3.17Å; L780-E783 PolarHBondContact O-N 2.91Å; L780-E783 VanDerWaalsContact O-N 3.14Å; E781-E783 PolarHBondContact O-N 3.36Å; E781-E783 VanDerWaalsContact O-N 3.07Å; E783-F785 PolarHBondContact O-N 2.88Å; E783-F785 VanDerWaalsContact O-N 3.11Å; E783-N786 PolarHBondContact O-N 2.78Å; E783-R798 WeakPolarHBondContact OE1-CA 3.38Å; E783-R798 WeakPolarHBondContact OE1-CB 3.34Å; E783-R798 VanDerWaalsContact OE1-CD 3.29Å; E783-R798 WeakPolarHBondContact OE1-CD 3.34Å; E783-R798 WeakPolarHBondContact OE1-CG 3.4Å; E783-R798 IonicContact OE1-NE 2.67Å; E783-R798 PolarHBondContact OE1-NE 3.32Å; E783-R798 IonicContact OE2-CZ 3.34Å; E783-R798 IonicContact OE2-NE 2.83Å; E783-R798 PolarHBondContact OE2-NE 3.22Å; E783-R798 IonicContact OE2-NH2 3.13Å; E783-P799 WeakPolarHBondContact OE1-CD 3.47Å |
| 784 | N | 46.5 | Very low | 55.3 | Low | 141 Ų | 141 | 93.5 Ų | 93.5 | 75% | 0.754 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -61.4 | -19.1 | 176.2 | -76 | -25.5 | 0 | 0 | 0 | 113.9 | E781 K782 | E781-N784 PolarHBondContact O-N 2.96Å; K782-N784 PolarHBondContact O-N 3.13Å; K782-N784 VanDerWaalsContact O-N 3.1Å |
| 785 | F | 47.6 | Very low | 54.1 | Low | 178 Ų | 178 | 98 Ų | 98 | 78% | 0.781 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -116.4 | -5.8 | -177.7 | -64.2 | -81.1 | 0 | 0 | 0 | 114.5 | K782 E783 Y787 | K782-F785 PolarHBondContact O-N 3.46Å; E783-F785 PolarHBondContact O-N 2.88Å; E783-F785 VanDerWaalsContact O-N 3.11Å; F785-Y787 VanDerWaalsContact C-N 3.28Å; F785-Y787 PolarHBondContact O-N 3.49Å |
| 786 | N | 46.2 | Very low | 53 | Low | 60 Ų | 60 | 100.2 Ų | 100.2 | 32% | 0.321 | 47% | 0.474 | S | S | . | . | trans | -83.1 | 5 | -175.5 | -81.7 | -19.4 | 0 | 0 | 0 | 115 | E783 S788 S794 R795 | E783-N786 PolarHBondContact O-N 2.78Å; N786-S788 PolarHBondContact O-N 2.93Å; N786-S794 WeakPolarHBondContact O-CA 3.19Å; N786-R795 PolarHBondContact O-N 3.33Å | ||
| 787 | Y | 49.7 | Very low | 51.9 | Low | 164 Ų | 164 | 104.3 Ų | 104.3 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -67.3 | 127.1 | 165.3 | -104.3 | -91.6 | 0 | 0 | 0 | 110 | F785 P789 G792 | F785-Y787 VanDerWaalsContact C-N 3.28Å; F785-Y787 PolarHBondContact O-N 3.49Å; Y787-P789 VanDerWaalsContact O-CD 3.24Å; Y787-P789 WeakPolarHBondContact O-CD 3.4Å; Y787-G792 WeakPolarHBondContact CE1-O 3.46Å |
| 788 | S | 45.9 | Very low | 51 | Low | 5 Ų | 5 | 108.3 Ų | 108.3 | 4% | 0.035 | 51% | 0.514 | C | S | . | . | trans | -75.1 | 118.1 | 163.8 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | N786 L790 T791 G792 R793 | N786-S788 PolarHBondContact O-N 2.93Å; S788-L790 PolarHBondContact O-N 3.18Å; S788-L790 WeakPolarHBondContact OG-CB 3.47Å; S788-L790 PolarHBondContact OG-N 3.3Å; S788-T791 VanDerWaalsContact CB-OG1 3.32Å; S788-T791 WeakPolarHBondContact CB-OG1 3.48Å; S788-T791 PolarHBondContact OG-N 3.18Å; S788-G792 WeakPolarHBondContact O-CA 3.36Å; S788-G792 PolarHBondContact O-N 3.34Å; S788-R793 WeakPolarHBondContact CB-O 3.42Å; S788-R793 PolarHBondContact N-O 2.87Å | ||
| 789 | P | 46.8 | Very low | 50 | Low | 82 Ų | 82 | 101.3 Ų | 101.3 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.5 | 170.8 | 26.1 | -33.3 | 0 | 0 | 0 | 111.7 | Y787 | Y787-P789 VanDerWaalsContact O-CD 3.24Å; Y787-P789 WeakPolarHBondContact O-CD 3.4Å |
| 790 | L | 37.4 | Very low | 49.6 | Very low | 52 Ų | 52 | 99.8 Ų | 99.8 | 27% | 0.272 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -67.5 | 173.4 | -52.4 | 169.1 | 0 | 0 | 0 | 110.5 | S788 G792 D929 Y933 | S788-L790 PolarHBondContact O-N 3.18Å; S788-L790 WeakPolarHBondContact OG-CB 3.47Å; S788-L790 PolarHBondContact OG-N 3.3Å; L790-G792 PolarHBondContact O-N 2.95Å; L790-D929 HydrophobicContact CD2-CB 4.16Å; L790-Y933 HydrophobicContact CB-CD2 4.04Å; L790-Y933 HydrophobicContact CB-CE2 3.61Å; L790-Y933 HydrophobicContact CD2-CD2 3.44Å; L790-Y933 VanDerWaalsContact CD2-CD2 3.44Å; L790-Y933 HydrophobicContact CD2-CE2 3.59Å; L790-Y933 HydrophobicContact CD2-CG 4.45Å; L790-Y933 HydrophobicContact CG-CD2 4.35Å; L790-Y933 HydrophobicContact CG-CE2 4.18Å; L790-Y933 WeakPolarHBondContact O-CD1 3.44Å; L790-Y933 WeakPolarHBondContact O-CE1 3.45Å |
| 791 | T | 55.6 | Low | 49.3 | Very low | 83 Ų | 83 | 98.9 Ų | 98.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.7 | -170.6 | 65.3 | 0 | 0 | 0 | 0 | 114.6 | S788 R793 | S788-T791 VanDerWaalsContact CB-OG1 3.32Å; S788-T791 WeakPolarHBondContact CB-OG1 3.48Å; S788-T791 PolarHBondContact OG-N 3.18Å; T791-R793 PolarHBondContact O-N 3.06Å; T791-R793 PolarHBondContact OG1-N 3.37Å |
| 792 | G | 44.1 | Very low | 49 | Very low | 50 Ų | 50 | 96.2 Ų | 96.2 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 63.2 | 14.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y787 S788 L790 | Y787-G792 WeakPolarHBondContact CE1-O 3.46Å; S788-G792 WeakPolarHBondContact O-CA 3.36Å; S788-G792 PolarHBondContact O-N 3.34Å; L790-G792 PolarHBondContact O-N 2.95Å |
| 793 | R | 43 | Very low | 48.8 | Very low | 192 Ų | 192 | 90.9 Ų | 90.9 | 73% | 0.725 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -118.6 | 154.9 | 178.4 | -61 | 178.5 | -176.7 | -167.7 | -0.5 | 108.9 | S788 T791 | S788-R793 WeakPolarHBondContact CB-O 3.42Å; S788-R793 PolarHBondContact N-O 2.87Å; T791-R793 PolarHBondContact O-N 3.06Å; T791-R793 PolarHBondContact OG1-N 3.37Å |
| 794 | S | 50.9 | Low | 49.2 | Very low | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 137 | 171 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | N786 M796 | N786-S794 WeakPolarHBondContact O-CA 3.19Å; S794-M796 WeakPolarHBondContact CB-O 3.38Å; S794-M796 PolarHBondContact O-N 3.14Å; S794-M796 PolarHBondContact OG-O 3.23Å |
| 795 | R | 49 | Very low | 50 | Low | 183 Ų | 183 | 86.2 Ų | 86.2 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -65.2 | -25.2 | -178.8 | -80.3 | -172.4 | 155.5 | 167.5 | -5.2 | 113 | N786 | N786-R795 PolarHBondContact O-N 3.33Š|
| 796 | M | 49.1 | Very low | 50.6 | Low | 114 Ų | 114 | 80 Ų | 80 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -129.6 | 158.7 | 171.2 | -68.9 | 176.4 | 70.9 | 0 | 0 | 108.4 | S794 | S794-M796 WeakPolarHBondContact CB-O 3.38Å; S794-M796 PolarHBondContact O-N 3.14Å; S794-M796 PolarHBondContact OG-O 3.23Å |
| 797 | P | 48.5 | Very low | 51.1 | Low | 105 Ų | 105 | 80 Ų | 80 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -53.2 | 157.9 | 158.8 | 26.6 | -34.8 | 0 | 0 | 0 | 109.9 | ||
| 798 | R | 50.4 | Low | 51.7 | Low | 180 Ų | 180 | 73.9 Ų | 73.9 | 68% | 0.679 | 39% | 0.391 | S | S | * | . | trans | -46.2 | 130.7 | 173.6 | -75.1 | -156.8 | 147.4 | 158.9 | -0.1 | 109.9 | E783 T800 | E783-R798 WeakPolarHBondContact OE1-CA 3.38Å; E783-R798 WeakPolarHBondContact OE1-CB 3.34Å; E783-R798 VanDerWaalsContact OE1-CD 3.29Å; E783-R798 WeakPolarHBondContact OE1-CD 3.34Å; E783-R798 WeakPolarHBondContact OE1-CG 3.4Å; E783-R798 IonicContact OE1-NE 2.67Å; E783-R798 PolarHBondContact OE1-NE 3.32Å; E783-R798 IonicContact OE2-CZ 3.34Å; E783-R798 IonicContact OE2-NE 2.83Å; E783-R798 PolarHBondContact OE2-NE 3.22Å; E783-R798 IonicContact OE2-NH2 3.13Å; R798-T800 VanDerWaalsContact C-N 3.27Å; R798-T800 PolarHBondContact O-N 3.25Å | ||
| 799 | P | 46.6 | Very low | 52.4 | Low | 15 Ų | 15 | 73.8 Ų | 73.8 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | trans | -69.3 | 89.1 | 175.2 | -9.7 | 25.3 | 0 | 0 | 0 | 109 | Y779 L780 E783 | Y779-P799 HydrophobicContact CD1-CB 3.9Å; Y779-P799 HydrophobicContact CE1-CB 3.26Å; Y779-P799 HydrophobicContact CE1-CG 4.27Å; L780-P799 WeakPolarHBondContact CD2-O 3.37Å; E783-P799 WeakPolarHBondContact OE1-CD 3.47Å | ||
| 800 | T | 55.7 | Low | 52.6 | Low | 85 Ų | 85 | 74.2 Ų | 74.2 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 135.5 | 169.6 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | R798 S802 | R798-T800 VanDerWaalsContact C-N 3.27Å; R798-T800 PolarHBondContact O-N 3.25Å; T800-S802 PolarHBondContact O-N 3.14Å |
| 801 | I | 56.7 | Low | 53.5 | Low | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 133.2 | 167.4 | -61.7 | 178.4 | 0 | 0 | 0 | 107 | L776 L780 L805 Q806 L812 | L776-I801 HydrophobicContact CD1-CD1 4.35Å; L780-I801 HydrophobicContact CD1-CD1 4Å; L780-I801 HydrophobicContact CD1-CG1 4.36Å; L780-I801 HydrophobicContact CD2-CG1 4.49Å; I801-L805 HydrophobicContact CG2-CB 3.55Å; I801-L805 HydrophobicContact CG2-CD1 4.4Å; I801-Q806 HydrophobicContact CB-CG 4.2Å; I801-Q806 HydrophobicContact CG2-CG 3.65Å; I801-L812 HydrophobicContact CD1-CD1 3.66Å; I801-L812 HydrophobicContact CD1-CD2 3.87Å; I801-L812 HydrophobicContact CD1-CG 4.37Å |
| 802 | S | 55.4 | Low | 53 | Low | 51 Ų | 51 | 73.7 Ų | 73.7 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60 | 137.3 | 174.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | T800 Y804 L805 | T800-S802 PolarHBondContact O-N 3.14Å; S802-Y804 PolarHBondContact O-N 2.84Å; S802-Y804 WeakPolarHBondContact OG-CD2 3.4Å; S802-L805 PolarHBondContact O-N 2.95Å |
| 803 | P | 53.4 | Low | 53 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -52.2 | -28.9 | 177.5 | -28.6 | 35.8 | 0 | 0 | 0 | 113.3 | L805 Q806 P807 | P803-L805 VanDerWaalsContact C-N 3.31Å; P803-L805 PolarHBondContact O-N 3.15Å; P803-Q806 PolarHBondContact O-N 3.24Å; P803-P807 WeakPolarHBondContact O-CD 3.27Å |
| 804 | Y | 54.5 | Low | 52.7 | Low | 29 Ų | 29 | 71.9 Ų | 71.9 | 11% | 0.114 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -63.5 | -26 | 173.7 | -68.2 | -86.5 | 0 | 0 | 0 | 115.4 | H434 A442 L471 S802 V808 | H434-Y804 AromaticContact CD2-CZ 3.99Å; H434-Y804 AromaticContact CE1-CE1 3.38Å; H434-Y804 WeakPolarHBondContact CE1-CE1 3.47Å; H434-Y804 AromaticContact CE1-CZ 3.88Å; H434-Y804 AromaticContact NE2-CE1 3.27Å; H434-Y804 VanDerWaalsContact NE2-CE1 3.27Å; H434-Y804 WeakPolarHBondContact NE2-CE1 3.4Å; H434-Y804 AromaticContact NE2-CZ 3.58Å; A442-Y804 HydrophobicContact CB-CD2 4.35Å; A442-Y804 HydrophobicContact CB-CE2 3.45Å; A442-Y804 VanDerWaalsContact CB-CE2 3.45Å; L471-Y804 HydrophobicContact CD2-CD1 3.36Å; L471-Y804 HydrophobicContact CD2-CE1 3.44Å; L471-Y804 VanDerWaalsContact CD2-CE1 3.44Å; L471-Y804 HydrophobicContact CD2-CG 4.39Å; S802-Y804 PolarHBondContact O-N 2.84Å; S802-Y804 WeakPolarHBondContact OG-CD2 3.4Å; Y804-V808 WeakPolarHBondContact O-CG2 3.35Å |
| 805 | L | 63.4 | Low | 51.9 | Low | 69 Ų | 69 | 77.9 Ų | 77.9 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -91 | -19.1 | -179.5 | -78.8 | 171.3 | 0 | 0 | 0 | 113 | I801 S802 P803 V808 V809 | I801-L805 HydrophobicContact CG2-CB 3.55Å; I801-L805 HydrophobicContact CG2-CD1 4.4Å; S802-L805 PolarHBondContact O-N 2.95Å; P803-L805 VanDerWaalsContact C-N 3.31Å; P803-L805 PolarHBondContact O-N 3.15Å; L805-V808 PolarHBondContact O-N 3.27Å; L805-V809 PolarHBondContact O-N 3.12Å |
| 806 | Q | 60.9 | Low | 51.2 | Low | 49 Ų | 49 | 78 Ų | 78 | 23% | 0.229 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -40.7 | -174.5 | -60.7 | -175.1 | -79.8 | 0 | 0 | 113.6 | E487 I801 P803 V808 | E487-Q806 PolarHBondContact OE1-NE2 3.27Å; E487-Q806 PolarHBondContact OE2-NE2 2.91Å; I801-Q806 HydrophobicContact CB-CG 4.2Å; I801-Q806 HydrophobicContact CG2-CG 3.65Å; P803-Q806 PolarHBondContact O-N 3.24Å; Q806-V808 PolarHBondContact O-N 2.93Å |
| 807 | P | 57.2 | Low | 50.3 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 39% | 0.39 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.6 | 172 | -21.4 | 32.7 | 0 | 0 | 0 | 113.7 | N473 P803 | N473-P807 HydrophobicContact CB-CB 4.47Å; N473-P807 VanDerWaalsContact ND2-CB 3.35Å; N473-P807 WeakPolarHBondContact ND2-CB 3.33Å; P803-P807 WeakPolarHBondContact O-CD 3.27Å |
| 808 | V | 61.7 | Low | 49.2 | Very low | 34 Ų | 34 | 79.2 Ų | 79.2 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -16.6 | -171.8 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | P472 L768 Y804 L805 Q806 P810 | P472-V808 HydrophobicContact CB-CG2 4.01Å; L768-V808 HydrophobicContact CD2-CG1 4.23Å; Y804-V808 WeakPolarHBondContact O-CG2 3.35Å; L805-V808 PolarHBondContact O-N 3.27Å; Q806-V808 PolarHBondContact O-N 2.93Å; V808-P810 WeakPolarHBondContact O-CD 3.27Å |
| 809 | V | 60 | Low | 48.3 | Very low | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -121.5 | 92.9 | -175.5 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | L772 P773 L776 L805 G811 L812 | L772-V809 HydrophobicContact CD2-CG2 3.57Å; L772-V809 HydrophobicContact CG-CG2 4.05Å; P773-V809 HydrophobicContact CB-CG1 3.87Å; P773-V809 HydrophobicContact CG-CG1 3.58Å; L776-V809 HydrophobicContact CD1-CG2 3.97Å; L805-V809 PolarHBondContact O-N 3.12Å; V809-G811 PolarHBondContact O-N 3.44Å; V809-L812 HydrophobicContact CB-CD1 4.06Å; V809-L812 HydrophobicContact CG1-CD1 3.84Å |
| 810 | P | 50.5 | Low | 47.4 | Very low | 91 Ų | 91 | 79 Ų | 79 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.7 | 177.8 | -25.4 | 34.5 | 0 | 0 | 0 | 112.7 | V808 | V808-P810 WeakPolarHBondContact O-CD 3.27Š|
| 811 | G | 56.9 | Low | 46.1 | Very low | 76 Ų | 76 | 80.6 Ų | 80.6 | 78% | 0.784 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 6.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | V809 S813 | V809-G811 PolarHBondContact O-N 3.44Å; G811-S813 PolarHBondContact O-N 3.34Å |
| 812 | L | 45.8 | Very low | 44.7 | Very low | 47 Ų | 47 | 87.1 Ų | 87.1 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | trans | -77.9 | 55.8 | 171.3 | -122.1 | 166.2 | 0 | 0 | 0 | 111.7 | L776 L780 I801 V809 L814 | L776-L812 HydrophobicContact CB-CD1 4.15Å; L776-L812 HydrophobicContact CD1-CD1 3.73Å; L780-L812 HydrophobicContact CD1-CD2 4.44Å; I801-L812 HydrophobicContact CD1-CD1 3.66Å; I801-L812 HydrophobicContact CD1-CD2 3.87Å; I801-L812 HydrophobicContact CD1-CG 4.37Å; V809-L812 HydrophobicContact CB-CD1 4.06Å; V809-L812 HydrophobicContact CG1-CD1 3.84Å; L812-L814 PolarHBondContact O-N 3.11Å | ||
| 813 | S | 44 | Very low | 43.4 | Very low | 103 Ų | 103 | 94.4 Ų | 94.4 | 72% | 0.72 | 50% | 0.498 | S | S | * | . | trans | -67.2 | 120.4 | 170.8 | 52.9 | 0 | 0 | 0 | 0 | 110 | G811 Y815 | G811-S813 PolarHBondContact O-N 3.34Å; S813-Y815 PolarHBondContact O-N 3.43Å | ||
| 814 | L | 36.9 | Very low | 42.3 | Very low | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | trans | -65.9 | 132.2 | 169.8 | -70.8 | 173.1 | 0 | 0 | 0 | 108.8 | E487 L812 E816 | E487-L814 WeakPolarHBondContact OE2-CD1 3.39Å; L812-L814 PolarHBondContact O-N 3.11Å; L814-E816 PolarHBondContact O-N 3.23Å | ||
| 815 | Y | 33.7 | Very low | 41.2 | Very low | 189 Ų | 189 | 104.5 Ų | 104.5 | 74% | 0.741 | 55% | 0.545 | S | S | * | . | trans | -59.4 | 95.7 | -177.2 | -90.4 | -104.1 | 0 | 0 | 0 | 112.2 | S813 | S813-Y815 PolarHBondContact O-N 3.43Š| ||
| 816 | E | 33.3 | Very low | 39.6 | Very low | 185 Ų | 185 | 105 Ų | 105 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | trans | -73.5 | -30.7 | 166.7 | -68 | -160.9 | 123.1 | 0 | 0 | 111.9 | L814 N818 | L814-E816 PolarHBondContact O-N 3.23Å; E816-N818 PolarHBondContact O-N 3.15Å | ||
| 817 | E | 30.2 | Very low | 38.1 | Very low | 163 Ų | 163 | 109.2 Ų | 109.2 | 76% | 0.762 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 92.3 | 178.8 | -65.5 | -162 | 141 | 0 | 0 | 112.3 | ||
| 818 | N | 27.1 | Very low | 36.8 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -179.1 | -4.4 | 139.5 | -99.3 | -56.9 | 0 | 0 | 0 | 115 | E816 S820 M821 | E816-N818 PolarHBondContact O-N 3.15Å; N818-S820 PolarHBondContact O-N 3.39Å; N818-M821 PolarHBondContact O-N 2.91Å; N818-M821 VanDerWaalsContact O-N 3.09Å |
| 819 | V | 30 | Very low | 35.4 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.2 | -26.2 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | R823 | V819-R823 PolarHBondContact O-N 2.7Å |
| 820 | S | 29.1 | Very low | 33.8 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.1 | -30.7 | 175.1 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | N818 | N818-S820 PolarHBondContact O-N 3.39Å |
| 821 | M | 28.2 | Very low | 32.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 59% | 0.586 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.1 | -40.6 | 178 | -80.2 | -92.4 | -91.9 | 0 | 0 | 112.1 | N818 | N818-M821 PolarHBondContact O-N 2.91Å; N818-M821 VanDerWaalsContact O-N 3.09Å |
| 822 | F | 27.2 | Very low | 31.8 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.1 | -29.6 | -178.3 | -82.1 | -82.9 | 0 | 0 | 0 | 113.9 | ||
| 823 | R | 28.2 | Very low | 30.9 | Very low | 205 Ų | 205 | 138 Ų | 138 | 77% | 0.774 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.8 | -36.3 | 174.7 | -81 | -171.7 | 172 | -174.4 | -0.3 | 113.1 | V819 | V819-R823 PolarHBondContact O-N 2.7Å |
| 824 | K | 29.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 70% | 0.704 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70.6 | -32.8 | 179.2 | -72.9 | -175.9 | 176.7 | 178 | 0 | 113.6 | S826 | K824-S826 PolarHBondContact O-N 3.31Å |
| 825 | N | 31 | Very low | 30 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -81.6 | -10.4 | -178.7 | -79.9 | -26.6 | 0 | 0 | 0 | 115.4 | ||
| 826 | S | 29.6 | Very low | 29.8 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -79.6 | -40.9 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | K824 | K824-S826 PolarHBondContact O-N 3.31Å |
| 827 | H | 30 | Very low | 29.5 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.6 | -38.2 | -178.5 | -84.7 | 24 | 0 | 0 | 0 | 113.4 | K829 R830 | H827-K829 VanDerWaalsContact C-N 3.27Å; H827-K829 PolarHBondContact O-N 2.85Å; H827-R830 PolarHBondContact O-N 2.89Å; H827-R830 VanDerWaalsContact O-N 3.14Å |
| 828 | N | 30 | Very low | 29.3 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.6 | -24 | 179.5 | -73.9 | -3.2 | 0 | 0 | 0 | 113.8 | ||
| 829 | K | 31.7 | Very low | 29.4 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 73% | 0.73 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78.9 | -13.7 | 174.9 | -76.5 | -176.3 | 176.6 | 177.8 | 0 | 114.4 | H827 | H827-K829 VanDerWaalsContact C-N 3.27Å; H827-K829 PolarHBondContact O-N 2.85Å |
| 830 | R | 27.6 | Very low | 29.1 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -88 | -26.7 | 179 | -118.4 | 178.5 | -179.7 | 174.1 | 0.4 | 113.9 | H827 | H827-R830 PolarHBondContact O-N 2.89Å; H827-R830 VanDerWaalsContact O-N 3.14Å |
| 831 | I | 32.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 59% | 0.585 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -85.6 | -39.6 | -180 | -61.3 | 177.4 | 0 | 0 | 0 | 111.3 | R833 K834 | I831-R833 PolarHBondContact O-N 3.22Å; I831-R833 VanDerWaalsContact O-N 3.1Å; I831-K834 PolarHBondContact O-N 3.47Å |
| 832 | S | 32.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 142 Ų | 142 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -21.7 | -176.6 | 176.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 833 | R | 27.8 | Very low | 28.4 | Very low | 223 Ų | 223 | 140.1 Ų | 140.1 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -7.9 | 178.3 | -82.5 | -175 | 172.6 | 169 | -2.1 | 115.7 | I831 | I831-R833 PolarHBondContact O-N 3.22Å; I831-R833 VanDerWaalsContact O-N 3.1Å |
| 834 | K | 31.1 | Very low | 27.9 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -6.5 | 179.5 | -94.7 | -166.8 | 172.1 | -169.2 | 0 | 115.4 | I831 | I831-K834 PolarHBondContact O-N 3.47Š|
| 835 | Q | 30.8 | Very low | 27.6 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -112.9 | -1.5 | 177.8 | -76.2 | 178.4 | -27.4 | 0 | 0 | 114.1 | Q837 | Q835-Q837 VanDerWaalsContact C-N 3.27Å; Q835-Q837 PolarHBondContact O-N 3.33Å |
| 836 | A | 28.4 | Very low | 27.1 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 16.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 837 | Q | 26.7 | Very low | 26.7 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 13 | 179 | -79.2 | -171 | -30.2 | 0 | 0 | 113.9 | Q835 | Q835-Q837 VanDerWaalsContact C-N 3.27Å; Q835-Q837 PolarHBondContact O-N 3.33Å |
| 838 | S | 26.7 | Very low | 26.5 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -148.9 | 123.4 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 839 | A | 28.9 | Very low | 26.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | 62 | 129.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 840 | G | 23.9 | Very low | 25.7 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | cis | 93 | 123.3 | 11.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 841 | V | 24.1 | Very low | 25.6 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 78.1 | 100.2 | 163.5 | -176.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 842 | Y | 22.9 | Very low | 25.2 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | 77.7 | 136.2 | 136.3 | -85.7 | -118 | 0 | 0 | 0 | 124.3 | ||||
| 843 | N | 22.8 | Very low | 25 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | 63.5 | 114.4 | 141.9 | -77 | 0.5 | 0 | 0 | 0 | 123.3 | ||||
| 844 | N | 18.7 | Very low | 24.7 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | 22.4 | 115.2 | 107.9 | -66 | -12.2 | 0 | 0 | 0 | 117.5 | |||||
| 845 | N | 22 | Very low | 24.4 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | 171.7 | 144.7 | 105.9 | -92.1 | -41.3 | 0 | 0 | 0 | 112.2 | |||||
| 846 | R | 20.9 | Very low | 24.3 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | 58.8 | 165 | 147.8 | -82.1 | -175.6 | 166.5 | 166.1 | -5.4 | 118.1 | ||||
| 847 | S | 21.4 | Very low | 24.1 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 49% | 0.49 | 74% | 0.737 | S | S | . | * | cis | -175.4 | 163.6 | -36.8 | 49.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 848 | H | 25.6 | Very low | 24.2 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | 70.1 | 155.2 | 169.1 | -56 | -36.6 | 0 | 0 | 0 | 116.4 | ||||
| 849 | S | 22.5 | Very low | 24.1 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | cis | -170.5 | 176.6 | -30.1 | 58.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 850 | N | 23.3 | Very low | 24.1 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 93.8 | 124.9 | 152.8 | -62.9 | -6.7 | 0 | 0 | 0 | 119.6 | ||||
| 851 | N | 24.9 | Very low | 24 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | 82.4 | 135.8 | 141.2 | -63.5 | -5.6 | 0 | 0 | 0 | 119.5 | ||||
| 852 | Q | 23.7 | Very low | 24.3 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | cis | -170 | 172.3 | -25.4 | -124.8 | 174.9 | 24.2 | 0 | 0 | 107.7 | ||||
| 853 | Q | 28.6 | Very low | 24.4 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 112.8 | 174.5 | -46.7 | -178.2 | -0.1 | 0 | 0 | 114.5 | ||||
| 854 | N | 21.9 | Very low | 24.4 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | 64.6 | 131.8 | 49.6 | -67.8 | -30.9 | 0 | 0 | 0 | 112.8 | ||||
| 855 | K | 24.6 | Very low | 24.9 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | cis | -147 | 169 | -3.3 | -84.5 | 141.5 | 178.7 | -177.2 | 0 | 105.1 | ||||
| 856 | S | 27.9 | Very low | 24.8 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -162.4 | 133.9 | 34.2 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 857 | I | 23.8 | Very low | 24.9 | Very low | 151 Ų | 151 | 148 Ų | 148 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | 48.7 | 107.3 | 102.8 | -52.4 | 171.5 | 0 | 0 | 0 | 112.3 | |||||
| 858 | S | 29.6 | Very low | 24.9 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | -136.7 | 161.7 | 78 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 859 | K | 23.8 | Very low | 24.8 | Very low | 180 Ų | 180 | 157 Ų | 157 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -115 | 133.2 | -174.3 | -62.1 | 168.5 | 179 | 171.1 | 0 | 110.4 | ||||
| 860 | T | 30 | Very low | 24.7 | Very low | 150 Ų | 150 | 162.3 Ų | 162.3 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | -133.3 | 104 | 151.7 | 38.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 861 | N | 21.9 | Very low | 24.7 | Very low | 147 Ų | 147 | 161.6 Ų | 161.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -84.2 | 135.1 | 172.6 | -80.7 | -43.6 | 0 | 0 | 0 | 109.9 | ||||
| 862 | T | 28.7 | Very low | 24.4 | Very low | 141 Ų | 141 | 160.3 Ų | 160.3 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -160.9 | 92.7 | 137.2 | 17.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 863 | K | 26.5 | Very low | 24.2 | Very low | 191 Ų | 191 | 158.1 Ų | 158.1 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | 42.4 | 102.7 | 136.4 | -65.8 | -179.3 | 177.9 | 176.3 | 0 | 120.1 | ||||
| 864 | I | 22.1 | Very low | 23.9 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -32.3 | 131.2 | 138.5 | -61.3 | 157.9 | 0 | 0 | 0 | 112.7 | ||||
| 865 | I | 28.7 | Very low | 23.9 | Very low | 154 Ų | 154 | 154 Ų | 154 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -126 | 104.5 | 154.4 | -63.4 | -178.4 | 0 | 0 | 0 | 108.7 | ||||
| 866 | N | 19.5 | Very low | 23.7 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -99.3 | 118.3 | 166.3 | -100.5 | -37.8 | 0 | 0 | 0 | 108.5 | ||||
| 867 | R | 24.5 | Very low | 23.4 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -137.9 | 114.2 | 161.1 | -85 | -166.8 | 168.5 | 167.9 | -2.6 | 112 | ||||
| 868 | K | 21.1 | Very low | 23.2 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -83.1 | 145.9 | 163.7 | -63.5 | 174.9 | 174.4 | 179.6 | 0 | 109.9 | ||||
| 869 | R | 23.1 | Very low | 22.9 | Very low | 234 Ų | 234 | 150.5 Ų | 150.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 163.6 | 118.6 | 140.6 | -89.8 | 160.5 | -174.6 | -166.1 | 1.5 | 107.2 | ||||
| 870 | F | 20.1 | Very low | 22.6 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | 79.4 | 142.6 | 69.7 | -101.9 | -81.7 | 0 | 0 | 0 | 115 | |||||
| 871 | C | 22.8 | Very low | 22.3 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 76.9 | 153.1 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 872 | S | 19.1 | Very low | 22.1 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | 170.8 | 147.8 | -51.2 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 873 | S | 20.2 | Very low | 21.8 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | 67.8 | 138.2 | 156.5 | 58.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 874 | A | 21.8 | Very low | 21.4 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 69.4 | 151.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 875 | S | 21.7 | Very low | 21.5 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | cis | -146 | 176.7 | 4.8 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 876 | A | 20.3 | Very low | 21.2 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -99.1 | 159.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 877 | S | 21.8 | Very low | 21.8 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | 167.1 | 139.4 | 125.6 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 878 | N | 20.9 | Very low | 21.8 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 48.2 | 125.2 | 142.5 | -54.1 | -6 | 0 | 0 | 0 | 121.2 | ||||
| 879 | C | 21.7 | Very low | 21.7 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | -173.2 | 162.4 | 89.2 | -126.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 880 | S | 17.8 | Very low | 21.8 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -124.5 | 139.2 | -177.7 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 881 | T | 23.9 | Very low | 22 | Very low | 149 Ų | 149 | 128 Ų | 128 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -153.6 | 146.2 | 156.5 | 24.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 882 | M | 17.2 | Very low | 22 | Very low | 171 Ų | 171 | 128 Ų | 128 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -86.3 | 162.1 | 168.6 | -66.4 | -169.6 | 171.9 | 0 | 0 | 110.5 | ||||
| 883 | D | 22.8 | Very low | 22.1 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -158.9 | 157.2 | 131.1 | -109.6 | -30.6 | 0 | 0 | 0 | 112.8 | ||||
| 884 | V | 18.5 | Very low | 22.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -130.7 | 134 | -171.7 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 885 | S | 23.4 | Very low | 22.4 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -171.6 | 155.9 | 154.9 | 28.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 886 | I | 23.2 | Very low | 22.6 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | -147 | 138 | -165.9 | -69.8 | 170.3 | 0 | 0 | 0 | 105.2 | ||||
| 887 | P | 31.8 | Very low | 22.8 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -144.5 | -170.4 | 53.8 | 38.7 | -17.4 | 0 | 0 | 0 | 116.2 | |||||
| 888 | G | 24.5 | Very low | 23 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 173.2 | 90.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 889 | S | 19.4 | Very low | 23.2 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -81.7 | 147.5 | 172.2 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 890 | Y | 25.8 | Very low | 23.4 | Very low | 209 Ų | 209 | 149.5 Ų | 149.5 | 82% | 0.82 | 81% | 0.807 | S | S | * | * | 175.3 | 130.9 | 126.5 | -92.4 | -63.6 | 0 | 0 | 0 | 113.5 | |||||
| 891 | H | 23.4 | Very low | 23.7 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | 32.7 | 138.6 | 149.5 | -78.9 | -28.8 | 0 | 0 | 0 | 127.2 | ||||
| 892 | T | 23.8 | Very low | 23.7 | Very low | 114 Ų | 114 | 156.7 Ų | 156.7 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 79.1 | 109 | 139.6 | 50.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 893 | N | 20.9 | Very low | 24.1 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 48.4 | 92.4 | 131.4 | -63.6 | -7.8 | 0 | 0 | 0 | 119.9 | ||||
| 894 | K | 27.2 | Very low | 24.1 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | -153.8 | 126.6 | 126.4 | -117.6 | 167 | -174.8 | 173.8 | 0 | 112.2 | M896 | K894-M896 PolarHBondContact O-N 2.92Š| |||
| 895 | I | 21.4 | Very low | 24.5 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -76.4 | 115.8 | 176.5 | -63.8 | 164.2 | 0 | 0 | 0 | 107.9 | ||||
| 896 | M | 24.9 | Very low | 24.4 | Very low | 165 Ų | 165 | 160.9 Ų | 160.9 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -141.8 | 150.7 | 168.3 | -95.1 | -65.8 | 175.2 | 0 | 0 | 110.2 | K894 | K894-M896 PolarHBondContact O-N 2.92Š| ||
| 897 | H | 25.3 | Very low | 24.5 | Very low | 171 Ų | 171 | 159.1 Ų | 159.1 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -66.3 | 140.9 | -158 | -73.4 | -107.6 | 0 | 0 | 0 | 114.8 | N899 | H897-N899 PolarHBondContact O-N 3.07Š| ||
| 898 | K | 25.4 | Very low | 24.1 | Very low | 199 Ų | 199 | 161.8 Ų | 161.8 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -69.5 | 85.7 | 174.4 | -70.2 | -180 | 177.4 | 177 | 0 | 111.5 | I900 | K898-I900 PolarHBondContact O-N 2.87Š| ||
| 899 | N | 25.8 | Very low | 24.1 | Very low | 153 Ų | 153 | 163.8 Ų | 163.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -75.4 | 103.8 | 158.7 | -86 | -20.1 | 0 | 0 | 0 | 109.1 | H897 K901 | H897-N899 PolarHBondContact O-N 3.07Å; N899-K901 PolarHBondContact O-N 3.45Å | ||
| 900 | I | 25.5 | Very low | 24.6 | Very low | 145 Ų | 145 | 165 Ų | 165 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -68.7 | 99.3 | -179.9 | -61.9 | 172.3 | 0 | 0 | 0 | 108.8 | K898 Y902 | K898-I900 PolarHBondContact O-N 2.87Å; I900-Y902 PolarHBondContact O-N 2.8Å | ||
| 901 | K | 24.3 | Very low | 24.6 | Very low | 194 Ų | 194 | 166.6 Ų | 166.6 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -76.8 | 114.8 | 170.6 | -76.2 | -177.4 | 175 | 178.7 | 0 | 109.7 | N899 | N899-K901 PolarHBondContact O-N 3.45Š| ||
| 902 | Y | 23.5 | Very low | 24.7 | Very low | 210 Ų | 210 | 166.9 Ų | 166.9 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -62.7 | 134.8 | 160.5 | -79.7 | -92.2 | 0 | 0 | 0 | 109.7 | I900 Q904 | I900-Y902 PolarHBondContact O-N 2.8Å; Y902-Q904 PolarHBondContact O-N 3.16Å | ||
| 903 | P | 25.4 | Very low | 24.8 | Very low | 120 Ų | 120 | 169 Ų | 169 | 78% | 0.779 | 85% | 0.847 | S | S | * | * | trans | -77.2 | 118.8 | -175.6 | 29.5 | -33.4 | 0 | 0 | 0 | 111.5 | A905 | P903-A905 PolarHBondContact O-N 3.18Å; P903-A905 VanDerWaalsContact O-N 3.11Å | ||
| 904 | Q | 22.5 | Very low | 25.1 | Very low | 198 Ų | 198 | 170 Ų | 170 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | trans | -77 | 91.6 | 168.2 | -74.1 | -175.9 | -17.7 | 0 | 0 | 110.2 | Y902 R906 | Y902-Q904 PolarHBondContact O-N 3.16Å; Q904-R906 PolarHBondContact O-N 3.24Å | ||
| 905 | A | 27.1 | Very low | 25 | Very low | 98 Ų | 98 | 166 Ų | 166 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -72.3 | 120 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P903 | P903-A905 PolarHBondContact O-N 3.18Å; P903-A905 VanDerWaalsContact O-N 3.11Å | ||
| 906 | R | 20.9 | Very low | 25.2 | Very low | 252 Ų | 252 | 161 Ų | 161 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -73.1 | 126.7 | 169.7 | -78.2 | 174.6 | 165.4 | 173.7 | -5.2 | 109.9 | Q904 | Q904-R906 PolarHBondContact O-N 3.24Š| ||
| 907 | S | 26.5 | Very low | 25.5 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -143.2 | 143.4 | 142.6 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 908 | Q | 22.8 | Very low | 25.8 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -95.2 | 160.4 | -176.5 | -68.5 | 173.7 | -28 | 0 | 0 | 110.6 | ||||
| 909 | S | 24.6 | Very low | 26.3 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 68.9 | 88.3 | 166.1 | 71 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 910 | S | 29.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | -143.4 | 153.3 | 123.9 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 911 | R | 26 | Very low | 27.2 | Very low | 241 Ų | 241 | 146.5 Ų | 146.5 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -70.1 | 148.7 | -164.9 | -68.4 | 171.5 | 177.7 | 151 | -0.8 | 111.8 | L913 | R911-L913 VanDerWaalsContact C-N 3.3Å; R911-L913 PolarHBondContact O-N 3.21Å | ||
| 912 | N | 25 | Very low | 27.8 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | -48 | 82.8 | 172.2 | -62.3 | -23.7 | 0 | 0 | 0 | 113.7 | ||||
| 913 | L | 26.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -84.2 | 103.8 | 141.8 | -89.8 | 156.8 | 0 | 0 | 0 | 105 | R911 V915 | R911-L913 VanDerWaalsContact C-N 3.3Å; R911-L913 PolarHBondContact O-N 3.21Å; L913-V915 VanDerWaalsContact C-N 3.25Å; L913-V915 PolarHBondContact O-N 3.5Å | ||
| 914 | H | 27.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -68.1 | 91.7 | 175.4 | -161.9 | 37.4 | 0 | 0 | 0 | 106.8 | P916 | H914-P916 WeakPolarHBondContact O-CD 3.36Å; H914-P916 VanDerWaalsContact O-N 3.11Å | ||
| 915 | V | 24.8 | Very low | 30 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -57.6 | 111 | 163.5 | 177.5 | 0 | 0 | 0 | 0 | 104.9 | L913 S917 | L913-V915 VanDerWaalsContact C-N 3.25Å; L913-V915 PolarHBondContact O-N 3.5Å; V915-S917 PolarHBondContact O-N 3.11Å | ||
| 916 | P | 27 | Very low | 31.1 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 42% | 0.422 | 70% | 0.696 | S | S | . | * | trans | -64.9 | 135.5 | -179.2 | -20.7 | 36.5 | 0 | 0 | 0 | 107.7 | H914 N920 | H914-P916 WeakPolarHBondContact O-CD 3.36Å; H914-P916 VanDerWaalsContact O-N 3.11Å; P916-N920 WeakPolarHBondContact CB-ND2 3.26Å; P916-N920 WeakPolarHBondContact CG-ND2 3.44Å | ||
| 917 | S | 29.7 | Very low | 32.6 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 53% | 0.531 | 68% | 0.676 | S | S | . | * | trans | -51.7 | 159.8 | 164.2 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | V915 D919 N920 | V915-S917 PolarHBondContact O-N 3.11Å; S917-D919 WeakPolarHBondContact CB-OD2 3.46Å; S917-D919 PolarHBondContact O-N 3.16Å; S917-D919 PolarHBondContact OG-OD2 3.2Å; S917-N920 PolarHBondContact O-N 3.49Å | ||
| 918 | N | 33.1 | Very low | 33.6 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -2.4 | -168.4 | -82.5 | -10.1 | 0 | 0 | 0 | 116.7 | N920 H921 | N918-N920 PolarHBondContact O-N 3.3Å; N918-N920 VanDerWaalsContact O-N 3.14Å; N918-H921 PolarHBondContact O-N 2.86Å |
| 919 | D | 34 | Very low | 35 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -55.8 | -25.2 | 174.1 | -40.8 | -53.6 | 0 | 0 | 0 | 112.9 | S917 H921 E922 V923 | S917-D919 WeakPolarHBondContact CB-OD2 3.46Å; S917-D919 PolarHBondContact O-N 3.16Å; S917-D919 PolarHBondContact OG-OD2 3.2Å; D919-H921 VanDerWaalsContact C-N 3.29Å; D919-H921 PolarHBondContact O-N 3.19Å; D919-E922 PolarHBondContact O-N 3.32Å; D919-V923 WeakPolarHBondContact O-CG2 3.22Å; D919-V923 PolarHBondContact O-N 3.25Å |
| 920 | N | 33.4 | Very low | 37 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 42% | 0.422 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.9 | -27.9 | 178.8 | -99.2 | 5.9 | 0 | 0 | 0 | 114.3 | P916 S917 N918 V923 Q924 | P916-N920 WeakPolarHBondContact CB-ND2 3.26Å; P916-N920 WeakPolarHBondContact CG-ND2 3.44Å; S917-N920 PolarHBondContact O-N 3.49Å; N918-N920 PolarHBondContact O-N 3.3Å; N918-N920 VanDerWaalsContact O-N 3.14Å; N920-V923 PolarHBondContact O-N 3.47Å; N920-Q924 WeakPolarHBondContact O-CG 3.42Å; N920-Q924 PolarHBondContact O-N 2.72Å |
| 921 | H | 37.5 | Very low | 37.9 | Very low | 133 Ų | 133 | 117.2 Ų | 117.2 | 62% | 0.616 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -42.4 | 176.4 | -92 | -72.8 | 0 | 0 | 0 | 111.3 | N918 D919 V923 Q924 Q925 | N918-H921 PolarHBondContact O-N 2.86Å; D919-H921 VanDerWaalsContact C-N 3.29Å; D919-H921 PolarHBondContact O-N 3.19Å; H921-V923 VanDerWaalsContact C-N 3.31Å; H921-V923 PolarHBondContact O-N 3.17Å; H921-Q924 PolarHBondContact O-N 2.72Å; H921-Q925 WeakPolarHBondContact O-CB 3.29Å; H921-Q925 PolarHBondContact O-N 3.43Å |
| 922 | E | 37.2 | Very low | 39.6 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.1 | -40.3 | 173.4 | -65.6 | -166.4 | 149.3 | 0 | 0 | 111.6 | D919 Q925 S926 | D919-E922 PolarHBondContact O-N 3.32Å; E922-Q925 PolarHBondContact O-N 3.08Å; E922-S926 WeakPolarHBondContact O-CB 3.47Å; E922-S926 PolarHBondContact O-N 3.44Å |
| 923 | V | 40.9 | Very low | 40.6 | Very low | 79 Ų | 79 | 107 Ų | 107 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -46.5 | 177 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | D919 N920 H921 Q925 S926 V927 | D919-V923 WeakPolarHBondContact O-CG2 3.22Å; D919-V923 PolarHBondContact O-N 3.25Å; N920-V923 PolarHBondContact O-N 3.47Å; H921-V923 VanDerWaalsContact C-N 3.31Å; H921-V923 PolarHBondContact O-N 3.17Å; V923-Q925 PolarHBondContact O-N 2.89Å; V923-S926 PolarHBondContact O-N 3.17Å; V923-S926 PolarHBondContact O-OG 3.06Å; V923-V927 WeakPolarHBondContact O-CG2 3.25Å; V923-V927 PolarHBondContact O-N 2.92Å |
| 924 | Q | 35.9 | Very low | 42.3 | Very low | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 178.1 | -74.4 | -173 | -2.7 | 0 | 0 | 112.6 | N920 H921 V927 A928 | N920-Q924 WeakPolarHBondContact O-CG 3.42Å; N920-Q924 PolarHBondContact O-N 2.72Å; H921-Q924 PolarHBondContact O-N 2.72Å; Q924-V927 PolarHBondContact O-N 3.1Å; Q924-A928 PolarHBondContact O-N 2.92Å; Q924-A928 VanDerWaalsContact O-N 3.09Å |
| 925 | Q | 39.9 | Very low | 44 | Very low | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 172.6 | -121.6 | 167.3 | -8.4 | 0 | 0 | 111.2 | H921 E922 V923 V927 A928 D929 | H921-Q925 WeakPolarHBondContact O-CB 3.29Å; H921-Q925 PolarHBondContact O-N 3.43Å; E922-Q925 PolarHBondContact O-N 3.08Å; V923-Q925 PolarHBondContact O-N 2.89Å; Q925-V927 VanDerWaalsContact C-N 3.28Å; Q925-V927 PolarHBondContact O-N 3.02Å; Q925-A928 PolarHBondContact O-N 2.8Å; Q925-D929 WeakPolarHBondContact O-CB 3.48Å; Q925-D929 PolarHBondContact O-N 3.03Å |
| 926 | S | 51.4 | Low | 45.3 | Very low | 55 Ų | 55 | 100 Ų | 100 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 177.9 | 80.6 | 0 | 0 | 0 | 0 | 113.7 | E922 V923 Y930 | E922-S926 WeakPolarHBondContact O-CB 3.47Å; E922-S926 PolarHBondContact O-N 3.44Å; V923-S926 PolarHBondContact O-N 3.17Å; V923-S926 PolarHBondContact O-OG 3.06Å; S926-Y930 VanDerWaalsContact O-CB 3.24Å; S926-Y930 WeakPolarHBondContact O-CB 3.27Å; S926-Y930 PolarHBondContact O-N 3.14Å |
| 927 | V | 51.3 | Low | 46.9 | Very low | 86 Ų | 86 | 100.2 Ų | 100.2 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.6 | -41.5 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | V923 Q924 Q925 Y930 E931 | V923-V927 WeakPolarHBondContact O-CG2 3.25Å; V923-V927 PolarHBondContact O-N 2.92Å; Q924-V927 PolarHBondContact O-N 3.1Å; Q925-V927 VanDerWaalsContact C-N 3.28Å; Q925-V927 PolarHBondContact O-N 3.02Å; V927-Y930 PolarHBondContact O-N 3Å; V927-E931 PolarHBondContact O-N 2.67Å |
| 928 | A | 49 | Very low | 48.5 | Very low | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q924 Q925 Y930 E931 F932 | Q924-A928 PolarHBondContact O-N 2.92Å; Q924-A928 VanDerWaalsContact O-N 3.09Å; Q925-A928 PolarHBondContact O-N 2.8Å; A928-Y930 VanDerWaalsContact C-N 3.32Å; A928-Y930 PolarHBondContact O-N 2.68Å; A928-E931 PolarHBondContact O-N 3.39Å; A928-F932 WeakPolarHBondContact O-CB 3.42Å; A928-F932 PolarHBondContact O-N 3.09Å |
| 929 | D | 51.9 | Low | 49.6 | Very low | 77 Ų | 77 | 98.5 Ų | 98.5 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 174.9 | -78.1 | -10.2 | 0 | 0 | 0 | 111.9 | L790 Q925 F932 Y933 | L790-D929 HydrophobicContact CD2-CB 4.16Å; Q925-D929 WeakPolarHBondContact O-CB 3.48Å; Q925-D929 PolarHBondContact O-N 3.03Å; D929-F932 PolarHBondContact O-N 3.09Å; D929-Y933 WeakPolarHBondContact O-CB 2.97Å; D929-Y933 PolarHBondContact O-N 2.66Å |
| 930 | Y | 65.3 | Low | 50.4 | Low | 133 Ų | 133 | 99 Ų | 99 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 178.5 | 179.6 | -97.3 | 0 | 0 | 0 | 112.6 | S926 V927 A928 Y933 R934 | S926-Y930 VanDerWaalsContact O-CB 3.24Å; S926-Y930 WeakPolarHBondContact O-CB 3.27Å; S926-Y930 PolarHBondContact O-N 3.14Å; V927-Y930 PolarHBondContact O-N 3Å; A928-Y930 VanDerWaalsContact C-N 3.32Å; A928-Y930 PolarHBondContact O-N 2.68Å; Y930-Y933 PolarHBondContact O-N 2.94Å; Y930-R934 VanDerWaalsContact O-CB 3.26Å; Y930-R934 WeakPolarHBondContact O-CB 3.45Å; Y930-R934 PolarHBondContact O-N 2.93Å |
| 931 | E | 49.9 | Very low | 51.6 | Low | 97 Ų | 97 | 102.4 Ų | 102.4 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 174.7 | -77.8 | -75.6 | 114.4 | 0 | 0 | 111.3 | V927 A928 R934 F935 | V927-E931 PolarHBondContact O-N 2.67Å; A928-E931 PolarHBondContact O-N 3.39Å; E931-R934 WeakPolarHBondContact O-CB 3.36Å; E931-R934 PolarHBondContact O-N 2.77Å; E931-R934 IonicContact OE1-CZ 2.67Å; E931-R934 IonicContact OE1-NH1 3.69Å; E931-R934 PolarHBondContact OE1-NH1 3.12Å; E931-F935 PolarHBondContact O-N 3.08Å |
| 932 | F | 61.1 | Low | 52.3 | Low | 120 Ų | 120 | 101.9 Ų | 101.9 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 173.5 | -176.6 | -105.5 | 0 | 0 | 0 | 112.5 | A928 D929 F935 L936 | A928-F932 WeakPolarHBondContact O-CB 3.42Å; A928-F932 PolarHBondContact O-N 3.09Å; D929-F932 PolarHBondContact O-N 3.09Å; F932-F935 WeakPolarHBondContact O-CB 3.47Å; F932-F935 PolarHBondContact O-N 3.41Å; F932-L936 HydrophobicContact CD1-CD1 4.01Å; F932-L936 HydrophobicContact CE1-CD1 3.51Å; F932-L936 HydrophobicContact CE1-CG 4.23Å; F932-L936 HydrophobicContact CZ-CD1 3.99Å; F932-L936 HydrophobicContact CZ-CG 4.35Å; F932-L936 PolarHBondContact O-N 3.47Å |
| 933 | Y | 46.3 | Very low | 52.5 | Low | 76 Ų | 76 | 98 Ų | 98 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -31.4 | 177.1 | -118.2 | -84.1 | 0 | 0 | 0 | 113.7 | L790 D929 Y930 N937 | L790-Y933 HydrophobicContact CB-CD2 4.04Å; L790-Y933 HydrophobicContact CB-CE2 3.61Å; L790-Y933 HydrophobicContact CD2-CD2 3.44Å; L790-Y933 VanDerWaalsContact CD2-CD2 3.44Å; L790-Y933 HydrophobicContact CD2-CE2 3.59Å; L790-Y933 HydrophobicContact CD2-CG 4.45Å; L790-Y933 HydrophobicContact CG-CD2 4.35Å; L790-Y933 HydrophobicContact CG-CE2 4.18Å; L790-Y933 WeakPolarHBondContact O-CD1 3.44Å; L790-Y933 WeakPolarHBondContact O-CE1 3.45Å; D929-Y933 WeakPolarHBondContact O-CB 2.97Å; D929-Y933 PolarHBondContact O-N 2.66Å; Y930-Y933 PolarHBondContact O-N 2.94Å; Y933-N937 WeakPolarHBondContact O-CB 3.39Å; Y933-N937 PolarHBondContact O-N 3.28Å; Y933-N937 PolarHBondContact O-ND2 3.33Å |
| 934 | R | 61.5 | Low | 52.4 | Low | 135 Ų | 135 | 97.1 Ų | 97.1 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 171.7 | -176.6 | -177.3 | -178.8 | -168.6 | -0.2 | 110.9 | Y930 E931 N937 Q938 | Y930-R934 VanDerWaalsContact O-CB 3.26Å; Y930-R934 WeakPolarHBondContact O-CB 3.45Å; Y930-R934 PolarHBondContact O-N 2.93Å; E931-R934 WeakPolarHBondContact O-CB 3.36Å; E931-R934 PolarHBondContact O-N 2.77Å; E931-R934 IonicContact OE1-CZ 2.67Å; E931-R934 IonicContact OE1-NH1 3.69Å; E931-R934 PolarHBondContact OE1-NH1 3.12Å; R934-N937 PolarHBondContact O-N 3.46Å; R934-Q938 PolarHBondContact O-N 3.36Å |
| 935 | F | 63.5 | Low | 52.7 | Low | 113 Ų | 113 | 93.2 Ų | 93.2 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -50.1 | 174.1 | 176 | -107.8 | 0 | 0 | 0 | 112.3 | E931 F932 N937 Q938 L939 | E931-F935 PolarHBondContact O-N 3.08Å; F932-F935 WeakPolarHBondContact O-CB 3.47Å; F932-F935 PolarHBondContact O-N 3.41Å; F935-N937 VanDerWaalsContact C-N 3.29Å; F935-N937 PolarHBondContact O-N 2.83Å; F935-Q938 WeakPolarHBondContact O-CA 3.41Å; F935-Q938 WeakPolarHBondContact O-CB 3.18Å; F935-Q938 PolarHBondContact O-N 2.9Å; F935-L939 HydrophobicContact CD1-CD1 4Å; F935-L939 HydrophobicContact CE1-CD1 3.41Å; F935-L939 VanDerWaalsContact CE1-CD1 3.41Å; F935-L939 HydrophobicContact CE2-CD1 4.26Å; F935-L939 HydrophobicContact CZ-CD1 3.57Å; F935-L939 HydrophobicContact CZ-CG 4.36Å; F935-L939 PolarHBondContact O-N 3.45Å |
| 936 | L | 52.3 | Low | 52.8 | Low | 61 Ų | 61 | 91.1 Ų | 91.1 | 32% | 0.319 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57 | -41 | 174.9 | -79.3 | 175.6 | 0 | 0 | 0 | 112.4 | F932 Q938 L939 L940 | F932-L936 HydrophobicContact CD1-CD1 4.01Å; F932-L936 HydrophobicContact CE1-CD1 3.51Å; F932-L936 HydrophobicContact CE1-CG 4.23Å; F932-L936 HydrophobicContact CZ-CD1 3.99Å; F932-L936 HydrophobicContact CZ-CG 4.35Å; F932-L936 PolarHBondContact O-N 3.47Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; L936-Q938 PolarHBondContact O-N 2.93Å; L936-L939 PolarHBondContact O-N 3.37Å; L936-L940 WeakPolarHBondContact O-CB 3.32Å; L936-L940 WeakPolarHBondContact O-CG 3.45Å; L936-L940 PolarHBondContact O-N 3.28Å |
| 937 | N | 59 | Low | 52.2 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.2 | -29 | 175.1 | -86.6 | -71.1 | 0 | 0 | 0 | 113.6 | Y933 R934 F935 K941 | Y933-N937 WeakPolarHBondContact O-CB 3.39Å; Y933-N937 PolarHBondContact O-N 3.28Å; Y933-N937 PolarHBondContact O-ND2 3.33Å; R934-N937 PolarHBondContact O-N 3.46Å; F935-N937 VanDerWaalsContact C-N 3.29Å; F935-N937 PolarHBondContact O-N 2.83Å; N937-K941 WeakPolarHBondContact O-CB 3.46Å; N937-K941 WeakPolarHBondContact O-CD 3.35Å; N937-K941 VanDerWaalsContact O-CG 3.23Å; N937-K941 WeakPolarHBondContact O-CG 3.35Å; N937-K941 PolarHBondContact O-N 2.64Å; N937-K941 VanDerWaalsContact O-N 3.09Å |
| 938 | Q | 65.2 | Low | 51.6 | Low | 112 Ų | 112 | 94 Ų | 94 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.9 | -46.6 | 170.8 | -96.3 | 179.4 | -30.4 | 0 | 0 | 111.3 | R934 F935 L936 L940 K941 Q942 | R934-Q938 PolarHBondContact O-N 3.36Å; F935-Q938 WeakPolarHBondContact O-CA 3.41Å; F935-Q938 WeakPolarHBondContact O-CB 3.18Å; F935-Q938 PolarHBondContact O-N 2.9Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; L936-Q938 PolarHBondContact O-N 2.93Å; Q938-L940 PolarHBondContact O-N 2.79Å; Q938-K941 PolarHBondContact O-N 3.09Å; Q938-Q942 WeakPolarHBondContact O-CG 3.18Å; Q938-Q942 PolarHBondContact O-N 3.21Å |
| 939 | L | 54.7 | Low | 51 | Low | 71 Ų | 71 | 99.8 Ų | 99.8 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -55.4 | -50.2 | 172.9 | -94.4 | 163.1 | 0 | 0 | 0 | 111.7 | F935 L936 K941 Q942 T943 | F935-L939 HydrophobicContact CD1-CD1 4Å; F935-L939 HydrophobicContact CE1-CD1 3.41Å; F935-L939 VanDerWaalsContact CE1-CD1 3.41Å; F935-L939 HydrophobicContact CE2-CD1 4.26Å; F935-L939 HydrophobicContact CZ-CD1 3.57Å; F935-L939 HydrophobicContact CZ-CG 4.36Å; F935-L939 PolarHBondContact O-N 3.45Å; L936-L939 PolarHBondContact O-N 3.37Å; L939-K941 VanDerWaalsContact C-N 3.32Å; L939-K941 PolarHBondContact O-N 3.37Å; L939-Q942 PolarHBondContact O-N 3.2Å; L939-Q942 VanDerWaalsContact O-N 3.13Å; L939-T943 WeakPolarHBondContact O-CG2 3.47Å; L939-T943 PolarHBondContact O-N 3.44Å; L939-T943 PolarHBondContact O-OG1 2.96Å |
| 940 | L | 51.8 | Low | 50.3 | Low | 106 Ų | 106 | 103.3 Ų | 103.3 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.9 | -35 | 178.2 | -74.5 | 168.4 | 0 | 0 | 0 | 112.9 | L936 Q938 T943 C944 | L936-L940 WeakPolarHBondContact O-CB 3.32Å; L936-L940 WeakPolarHBondContact O-CG 3.45Å; L936-L940 PolarHBondContact O-N 3.28Å; Q938-L940 PolarHBondContact O-N 2.79Å; L940-T943 WeakPolarHBondContact CA-OG1 3.45Å; L940-T943 PolarHBondContact O-OG1 3.05Å; L940-C944 WeakPolarHBondContact O-CB 3.45Å; L940-C944 PolarHBondContact O-N 3.22Å |
| 941 | K | 58.5 | Low | 49 | Very low | 152 Ų | 152 | 104.8 Ų | 104.8 | 66% | 0.661 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.8 | -37.4 | 173.2 | -76.6 | 169.6 | -175.6 | 171.9 | 0 | 112.1 | N937 Q938 L939 S945 | N937-K941 WeakPolarHBondContact O-CB 3.46Å; N937-K941 WeakPolarHBondContact O-CD 3.35Å; N937-K941 VanDerWaalsContact O-CG 3.23Å; N937-K941 WeakPolarHBondContact O-CG 3.35Å; N937-K941 PolarHBondContact O-N 2.64Å; N937-K941 VanDerWaalsContact O-N 3.09Å; Q938-K941 PolarHBondContact O-N 3.09Å; L939-K941 VanDerWaalsContact C-N 3.32Å; L939-K941 PolarHBondContact O-N 3.37Å; K941-S945 PolarHBondContact O-N 3.1Å |
| 942 | Q | 52.3 | Low | 48.3 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -49 | 174.4 | -71.1 | 177.7 | 4.7 | 0 | 0 | 111.3 | Q938 L939 C944 S945 I946 | Q938-Q942 WeakPolarHBondContact O-CG 3.18Å; Q938-Q942 PolarHBondContact O-N 3.21Å; L939-Q942 PolarHBondContact O-N 3.2Å; L939-Q942 VanDerWaalsContact O-N 3.13Å; Q942-C944 PolarHBondContact O-N 3.22Å; Q942-S945 WeakPolarHBondContact O-CB 3.47Å; Q942-S945 PolarHBondContact O-N 3.42Å; Q942-S945 VanDerWaalsContact O-N 3.17Å; Q942-S945 PolarHBondContact O-OG 2.65Å; Q942-I946 WeakPolarHBondContact O-CG1 3.28Å; Q942-I946 PolarHBondContact O-N 3.17Å; Q942-I946 VanDerWaalsContact O-N 3.16Å |
| 943 | T | 40.9 | Very low | 47.1 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 178 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | L939 L940 S945 I946 T947 | L939-T943 WeakPolarHBondContact O-CG2 3.47Å; L939-T943 PolarHBondContact O-N 3.44Å; L939-T943 PolarHBondContact O-OG1 2.96Å; L940-T943 WeakPolarHBondContact CA-OG1 3.45Å; L940-T943 PolarHBondContact O-OG1 3.05Å; T943-S945 VanDerWaalsContact C-N 3.31Å; T943-S945 PolarHBondContact O-N 3.16Å; T943-I946 WeakPolarHBondContact O-CA 3.3Å; T943-I946 WeakPolarHBondContact O-CB 3.45Å; T943-I946 PolarHBondContact O-N 3.1Å; T943-T947 PolarHBondContact O-N 3.17Å |
| 944 | C | 39.1 | Very low | 46.6 | Very low | 60 Ų | 60 | 110.6 Ų | 110.6 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.2 | -31.1 | 173.8 | -162 | 0 | 0 | 0 | 0 | 112.2 | L940 Q942 I946 T947 Q948 | L940-C944 WeakPolarHBondContact O-CB 3.45Å; L940-C944 PolarHBondContact O-N 3.22Å; Q942-C944 PolarHBondContact O-N 3.22Å; C944-I946 VanDerWaalsContact C-N 3.31Å; C944-I946 PolarHBondContact O-N 3.43Å; C944-T947 WeakPolarHBondContact CA-OG1 3.5Å; C944-T947 PolarHBondContact O-N 3.36Å; C944-T947 PolarHBondContact O-OG1 2.88Å; C944-T947 VanDerWaalsContact O-OG1 3.11Å; C944-Q948 WeakPolarHBondContact O-CB 3.34Å; C944-Q948 WeakPolarHBondContact O-CG 3.47Å; C944-Q948 PolarHBondContact O-N 2.94Å |
| 945 | S | 41.4 | Very low | 45.5 | Very low | 51 Ų | 51 | 108.4 Ų | 108.4 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 169.2 | 87.9 | 0 | 0 | 0 | 0 | 112.5 | K941 Q942 T943 R949 | K941-S945 PolarHBondContact O-N 3.1Å; Q942-S945 WeakPolarHBondContact O-CB 3.47Å; Q942-S945 PolarHBondContact O-N 3.42Å; Q942-S945 VanDerWaalsContact O-N 3.17Å; Q942-S945 PolarHBondContact O-OG 2.65Å; T943-S945 VanDerWaalsContact C-N 3.31Å; T943-S945 PolarHBondContact O-N 3.16Å; S945-R949 WeakPolarHBondContact O-CB 3.49Å; S945-R949 VanDerWaalsContact O-CG 3.31Å; S945-R949 WeakPolarHBondContact O-CG 3.44Å; S945-R949 PolarHBondContact O-N 3.32Å |
| 946 | I | 42.3 | Very low | 44.2 | Very low | 91 Ų | 91 | 107.1 Ų | 107.1 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 176.5 | -65.1 | 167 | 0 | 0 | 0 | 110.4 | Q942 T943 C944 R949 K950 | Q942-I946 WeakPolarHBondContact O-CG1 3.28Å; Q942-I946 PolarHBondContact O-N 3.17Å; Q942-I946 VanDerWaalsContact O-N 3.16Å; T943-I946 WeakPolarHBondContact O-CA 3.3Å; T943-I946 WeakPolarHBondContact O-CB 3.45Å; T943-I946 PolarHBondContact O-N 3.1Å; C944-I946 VanDerWaalsContact C-N 3.31Å; C944-I946 PolarHBondContact O-N 3.43Å; I946-R949 PolarHBondContact O-N 3.38Å; I946-K950 PolarHBondContact O-N 3.15Å |
| 947 | T | 40 | Very low | 43.4 | Very low | 81 Ų | 81 | 108.7 Ų | 108.7 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | T943 C944 K950 K951 | T943-T947 PolarHBondContact O-N 3.17Å; C944-T947 WeakPolarHBondContact CA-OG1 3.5Å; C944-T947 PolarHBondContact O-N 3.36Å; C944-T947 PolarHBondContact O-OG1 2.88Å; C944-T947 VanDerWaalsContact O-OG1 3.11Å; T947-K950 PolarHBondContact O-N 3.2Å; T947-K951 PolarHBondContact O-N 2.91Å |
| 948 | Q | 38.6 | Very low | 42 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.7 | -36.2 | 170.8 | -72.8 | -171.8 | 13.8 | 0 | 0 | 112.8 | C944 K951 K952 | C944-Q948 WeakPolarHBondContact O-CB 3.34Å; C944-Q948 WeakPolarHBondContact O-CG 3.47Å; C944-Q948 PolarHBondContact O-N 2.94Å; Q948-K951 PolarHBondContact O-N 3.27Å; Q948-K952 WeakPolarHBondContact O-CB 3.34Å; Q948-K952 PolarHBondContact O-N 3.07Å |
| 949 | R | 36.6 | Very low | 40.6 | Very low | 181 Ų | 181 | 114 Ų | 114 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -39.3 | 171.6 | -81.8 | 174.2 | 168.9 | 162.6 | -3.7 | 112.1 | S945 I946 R953 | S945-R949 WeakPolarHBondContact O-CB 3.49Å; S945-R949 VanDerWaalsContact O-CG 3.31Å; S945-R949 WeakPolarHBondContact O-CG 3.44Å; S945-R949 PolarHBondContact O-N 3.32Å; I946-R949 PolarHBondContact O-N 3.38Å; R949-R953 WeakPolarHBondContact O-CB 3.47Å; R949-R953 PolarHBondContact O-N 3.42Å |
| 950 | K | 35.4 | Very low | 39.7 | Very low | 151 Ų | 151 | 114.6 Ų | 114.6 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -45.7 | 172.2 | -74.7 | -172.6 | 178.2 | -176.8 | 0 | 111.6 | I946 T947 R953 A954 | I946-K950 PolarHBondContact O-N 3.15Å; T947-K950 PolarHBondContact O-N 3.2Å; K950-R953 PolarHBondContact O-N 3.36Å; K950-A954 WeakPolarHBondContact O-CB 3.33Å; K950-A954 PolarHBondContact O-N 3.39Å |
| 951 | K | 37.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 113.1 Ų | 113.1 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -91.5 | -173.6 | 173.1 | -179.7 | 0 | 112.8 | T947 Q948 R953 A954 T955 | T947-K951 PolarHBondContact O-N 2.91Å; Q948-K951 PolarHBondContact O-N 3.27Å; K951-R953 PolarHBondContact O-N 3.05Å; K951-A954 PolarHBondContact O-N 2.87Å; K951-T955 PolarHBondContact O-N 2.79Å; K951-T955 PolarHBondContact O-OG1 2.93Å |
| 952 | K | 36.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 67% | 0.67 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | 175.9 | -82.1 | -170.7 | 173.2 | -176.6 | 0 | 112.9 | Q948 T955 T956 | Q948-K952 WeakPolarHBondContact O-CB 3.34Å; Q948-K952 PolarHBondContact O-N 3.07Å; K952-T955 PolarHBondContact O-OG1 2.96Å; K952-T956 PolarHBondContact O-N 3.38Å; K952-T956 VanDerWaalsContact O-N 3.08Å; K952-T956 PolarHBondContact O-OG1 2.96Å |
| 953 | R | 34.8 | Very low | 36.9 | Very low | 202 Ų | 202 | 110.8 Ų | 110.8 | 76% | 0.762 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.5 | -35.5 | 172.7 | -81 | -174.9 | 168.3 | -177.9 | -4 | 112.8 | R949 K950 K951 T956 T957 | R949-R953 WeakPolarHBondContact O-CB 3.47Å; R949-R953 PolarHBondContact O-N 3.42Å; K950-R953 PolarHBondContact O-N 3.36Å; K951-R953 PolarHBondContact O-N 3.05Å; R953-T956 PolarHBondContact O-OG1 2.85Å; R953-T957 WeakPolarHBondContact O-CG2 3.5Å; R953-T957 PolarHBondContact O-N 3.5Å; R953-T957 PolarHBondContact O-OG1 3.09Å |
| 954 | A | 36.6 | Very low | 36.4 | Very low | 59 Ų | 59 | 112.8 Ų | 112.8 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.1 | -27.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K950 K951 T957 | K950-A954 WeakPolarHBondContact O-CB 3.33Å; K950-A954 PolarHBondContact O-N 3.39Å; K951-A954 PolarHBondContact O-N 2.87Å; A954-T957 PolarHBondContact O-OG1 3.16Å |
| 955 | T | 37.6 | Very low | 36.2 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -85.3 | -30.5 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | K951 K952 R958 | K951-T955 PolarHBondContact O-N 2.79Å; K951-T955 PolarHBondContact O-OG1 2.93Å; K952-T955 PolarHBondContact O-OG1 2.96Å; T955-R958 PolarHBondContact O-N 3.04Å |
| 956 | T | 37.6 | Very low | 35.8 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.5 | -20.8 | 174.2 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | K952 R953 T959 | K952-T956 PolarHBondContact O-N 3.38Å; K952-T956 VanDerWaalsContact O-N 3.08Å; K952-T956 PolarHBondContact O-OG1 2.96Å; R953-T956 PolarHBondContact O-OG1 2.85Å; T956-T959 PolarHBondContact O-OG1 3.15Å |
| 957 | T | 34.1 | Very low | 35.3 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -11.7 | 172.7 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | R953 A954 | R953-T957 WeakPolarHBondContact O-CG2 3.5Å; R953-T957 PolarHBondContact O-N 3.5Å; R953-T957 PolarHBondContact O-OG1 3.09Å; A954-T957 PolarHBondContact O-OG1 3.16Å |
| 958 | R | 31.2 | Very low | 34.8 | Very low | 206 Ų | 206 | 123.5 Ų | 123.5 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -6.7 | 177.3 | -113.4 | -177.5 | 78.3 | 170 | 4.4 | 115 | T955 | T955-R958 PolarHBondContact O-N 3.04Š|
| 959 | T | 35.7 | Very low | 34.4 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | -6.4 | 179.3 | 51.8 | 0 | 0 | 0 | 0 | 114 | T956 | T956-T959 PolarHBondContact O-OG1 3.15Š|
| 960 | T | 35.2 | Very low | 34.1 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.5 | -31.1 | 172.8 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | K963 I964 | T960-K963 PolarHBondContact O-N 2.97Å; T960-I964 PolarHBondContact O-N 3.21Å |
| 961 | S | 32.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.9 | -26.9 | 178.3 | 65.1 | 0 | 0 | 0 | 0 | 114 | K965 | S961-K965 PolarHBondContact O-N 3.28Å |
| 962 | S | 36.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 44% | 0.441 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.1 | -31.3 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | Q966 | S962-Q966 PolarHBondContact O-N 2.68Å |
| 963 | K | 33.4 | Very low | 32.8 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 70% | 0.7 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.3 | -32 | 178.7 | -74.4 | -167.4 | 171.8 | -168.3 | 0 | 113.7 | T960 S967 | T960-K963 PolarHBondContact O-N 2.97Å; K963-S967 PolarHBondContact O-OG 3.14Å |
| 964 | I | 31.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 55% | 0.554 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.6 | -32.7 | 175.6 | -64.8 | 169.8 | 0 | 0 | 0 | 110.7 | T960 S967 L968 | T960-I964 PolarHBondContact O-N 3.21Å; I964-S967 PolarHBondContact O-N 2.79Å; I964-S967 PolarHBondContact O-OG 3.18Å; I964-L968 HydrophobicContact CG2-CD1 4.15Å; I964-L968 WeakPolarHBondContact O-CD1 3.45Å |
| 965 | K | 34 | Very low | 31.9 | Very low | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.9 | -21 | -179.5 | -142 | 177.6 | -176.1 | -171.7 | 0 | 114.4 | S961 | S961-K965 PolarHBondContact O-N 3.28Å |
| 966 | Q | 33 | Very low | 31.4 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -91.1 | -5.4 | 174.4 | -73.4 | -176.3 | -35 | 0 | 0 | 114.1 | S962 | S962-Q966 PolarHBondContact O-N 2.68Å |
| 967 | S | 31.7 | Very low | 30.8 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 51% | 0.51 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -98.9 | -12.2 | 176.1 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | K963 I964 | K963-S967 PolarHBondContact O-OG 3.14Å; I964-S967 PolarHBondContact O-N 2.79Å; I964-S967 PolarHBondContact O-OG 3.18Å |
| 968 | L | 30.4 | Very low | 30.4 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 62% | 0.623 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -89.6 | -38.7 | 175.6 | -93.1 | 115.7 | 0 | 0 | 0 | 112.6 | I964 A970 | I964-L968 HydrophobicContact CG2-CD1 4.15Å; I964-L968 WeakPolarHBondContact O-CD1 3.45Å; L968-A970 PolarHBondContact O-N 3.48Å |
| 969 | D | 29.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 19.2 | -176.5 | -57.2 | -11.9 | 0 | 0 | 0 | 113.7 | ||
| 970 | A | 30 | Very low | 29.4 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 18.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L968 | L968-A970 PolarHBondContact O-N 3.48Š|
| 971 | Y | 27.8 | Very low | 28.7 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -127.6 | -4 | -177.4 | -124.7 | -89.4 | 0 | 0 | 0 | 117 | ||
| 972 | D | 27.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -100.5 | 7.6 | -177.4 | -74.3 | -29.3 | 0 | 0 | 0 | 115.1 | R974 | D972-R974 PolarHBondContact O-N 3.46Š| ||
| 973 | D | 27.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -98.4 | 60.7 | 169.7 | -91.3 | -30.2 | 0 | 0 | 0 | 112 | ||
| 974 | R | 24.6 | Very low | 27.8 | Very low | 217 Ų | 217 | 139.7 Ų | 139.7 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -166.7 | 137.7 | 156.2 | -116.3 | 170.8 | -77.5 | -164.2 | -0.1 | 111.8 | D972 | D972-R974 PolarHBondContact O-N 3.46Š|
| 975 | H | 28.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | 95.8 | 45.8 | 179.3 | -56.8 | -72.8 | 0 | 0 | 0 | 118.5 | A977 | H975-A977 PolarHBondContact O-N 2.94Š| ||
| 976 | S | 27.1 | Very low | 26.9 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -83.6 | 78.6 | 141.1 | -76.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 977 | A | 25.9 | Very low | 26.6 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | trans | -168.7 | 141.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H975 | H975-A977 PolarHBondContact O-N 2.94Š| ||
| 978 | M | 24.4 | Very low | 26.1 | Very low | 198 Ų | 198 | 146 Ų | 146 | 98% | 0.975 | 81% | 0.808 | S | S | * | * | trans | 76.4 | 110.5 | -173.6 | -56.1 | -77.1 | -178.5 | 0 | 0 | 114.2 | ||||
| 979 | G | 21.5 | Very low | 26 | Very low | 88 Ų | 88 | 151.5 Ų | 151.5 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -97.9 | -174.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 980 | G | 24.4 | Very low | 25.8 | Very low | 77 Ų | 77 | 155.9 Ų | 155.9 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 164.9 | 105.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 981 | E | 19.9 | Very low | 25.3 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -64.7 | 147.6 | 171.9 | -59.4 | 171.5 | 124.5 | 0 | 0 | 110.5 | ||||
| 982 | L | 25 | Very low | 25.5 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | trans | -167.4 | 148.2 | 138.9 | -104.8 | 163.8 | 0 | 0 | 0 | 111.6 | ||||
| 983 | T | 25.5 | Very low | 25.3 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -96.3 | 169.9 | -163.7 | 36.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 984 | P | 34.1 | Very low | 25.3 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -96.9 | 164.8 | -149.4 | 37.7 | -37.3 | 0 | 0 | 0 | 115.4 | ||||
| 985 | I | 25.1 | Very low | 25.2 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -122.3 | 119.7 | 168.1 | -67.9 | 179 | 0 | 0 | 0 | 110.5 | ||||
| 986 | N | 21.6 | Very low | 25.1 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -59.7 | 147.7 | 165 | -88.5 | -44.9 | 0 | 0 | 0 | 111.6 | ||||
| 987 | N | 27.2 | Very low | 25 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | -155.9 | 131.4 | 129.4 | -107.1 | -41.7 | 0 | 0 | 0 | 113.6 | |||||
| 988 | Q | 21.8 | Very low | 24.9 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -91 | 152.5 | 178.4 | -59.1 | 168.6 | -17.1 | 0 | 0 | 111 | ||||
| 989 | R | 27.1 | Very low | 25.1 | Very low | 236 Ų | 236 | 144.9 Ų | 144.9 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | 164.5 | 141.3 | 149.2 | -92.7 | 156 | -165.6 | -135.6 | 7.6 | 108.9 | ||||
| 990 | R | 24.5 | Very low | 25.2 | Very low | 233 Ų | 233 | 145.4 Ų | 145.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | cis | -165 | 146.8 | -19.7 | -123.4 | -175.6 | -168.6 | -168.5 | 2.2 | 106 | ||||
| 991 | G | 20.7 | Very low | 25.1 | Very low | 65 Ų | 65 | 151.6 Ų | 151.6 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -70.7 | -176.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 992 | P | 30.9 | Very low | 25.4 | Very low | 111 Ų | 111 | 150 Ų | 150 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | -145.9 | 165.6 | 55 | 41.5 | -23.3 | 0 | 0 | 0 | 117.4 | |||||
| 993 | D | 24.5 | Very low | 25.3 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | 32.9 | 152.9 | 123.4 | -44.8 | -20.4 | 0 | 0 | 0 | 121 | |||||
| 994 | L | 26.4 | Very low | 25.3 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | cis | -163.1 | 173 | -8.1 | -113.9 | 166.7 | 0 | 0 | 0 | 108.6 | ||||
| 995 | D | 23.1 | Very low | 24.8 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -53.2 | 148.2 | -175.7 | -50.9 | -59.1 | 0 | 0 | 0 | 117.6 | ||||
| 996 | N | 27.1 | Very low | 25 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | -178.4 | 139.2 | 119.2 | -93.6 | -23.6 | 0 | 0 | 0 | 115.9 | |||||
| 997 | E | 25.1 | Very low | 25.2 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 50.6 | 100.7 | 144.8 | -57.7 | -165.9 | 150.7 | 0 | 0 | 122.6 | ||||
| 998 | T | 23.9 | Very low | 25.2 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | 44 | 144.2 | 127.1 | 43.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 999 | P | 27.4 | Very low | 25.6 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -106.1 | 126.8 | -152.3 | 36.9 | -27.2 | 0 | 0 | 0 | 115 | ||||
| 1000 | A | 25 | Very low | 25.6 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -84.2 | 128.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1002 | A1000-N1002 PolarHBondContact O-N 2.94Š| ||
| 1001 | F | 22.2 | Very low | 26 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -53.3 | 126.4 | 171 | -90.4 | -114.9 | 0 | 0 | 0 | 111.2 | ||||
| 1002 | N | 24.9 | Very low | 26.2 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -149 | 136 | 149.5 | -119.6 | -39.8 | 0 | 0 | 0 | 113.2 | A1000 | A1000-N1002 PolarHBondContact O-N 2.94Š| ||
| 1003 | S | 22.8 | Very low | 26.6 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -76.1 | 128.5 | -173.4 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1004 | K | 26.3 | Very low | 26.7 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -162 | 115.1 | 159.4 | -108.3 | 151.2 | -167.6 | 175 | 0 | 112.9 | ||||
| 1005 | K | 24.4 | Very low | 26.7 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | 38.8 | 111.6 | 140.6 | -56.8 | 179.2 | 178.8 | -176.7 | 0 | 118.9 | ||||
| 1006 | S | 27.8 | Very low | 26.9 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | -163.1 | 114.3 | 121.7 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1007 | T | 26 | Very low | 26.9 | Very low | 144 Ų | 144 | 155.6 Ų | 155.6 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -0.3 | 129.9 | 142.8 | 53 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1008 | G | 27.6 | Very low | 27 | Very low | 75 Ų | 75 | 155 Ų | 155 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | trans | -179 | 61.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1009 | K | 31.1 | Very low | 27.2 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 89% | 0.891 | 85% | 0.854 | S | S | * | * | trans | 68.3 | 117.6 | 158.6 | -65.3 | 173.4 | 178.4 | 170 | 0 | 119.1 | ||||
| 1010 | Q | 26 | Very low | 27.2 | Very low | 181 Ų | 181 | 159 Ų | 159 | 85% | 0.846 | 86% | 0.86 | S | S | * | * | trans | -39.7 | 136.5 | 150 | -64.4 | 159.5 | -50.9 | 0 | 0 | 112.7 | ||||
| 1011 | L | 32.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 163.5 Ų | 163.5 | 84% | 0.843 | 86% | 0.863 | S | S | * | * | trans | -139.4 | 93.6 | 151.4 | -105.5 | 165.1 | 0 | 0 | 0 | 107.2 | I1013 | L1011-I1013 PolarHBondContact O-N 3.38Š| ||
| 1012 | N | 24.5 | Very low | 27.8 | Very low | 152 Ų | 152 | 159.9 Ų | 159.9 | 81% | 0.813 | 86% | 0.859 | S | S | * | * | trans | -65 | 120.1 | 166.2 | -72.8 | 3.7 | 0 | 0 | 0 | 108.5 | ||||
| 1013 | I | 39 | Very low | 28 | Very low | 231 Ų | 231 | 160 Ų | 160 | 100% | 1.185 | 86% | 0.86 | S | S | * | * | trans | -137 | 0 | 151.5 | -61.9 | -174.1 | 0 | 0 | 0 | 105.8 | L1011 | L1011-I1013 PolarHBondContact O-N 3.38Š|
Retrieved 1,013 of 1,013 residues in 188.2 ms
(Link to these results)