| 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 | V | 33.7 | Very low | 42 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 100% | 1.176 | 80% | 0.804 | S | S | * | * | 0 | 105.4 | 0 | 175.7 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 2 | A | 33.3 | Very low | 45.3 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 3 | M | 36.6 | Very low | 48.3 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 118.2 | 171 | -81.2 | -75.2 | -156.5 | 0 | 0 | 108.6 | ||
| 4 | A | 35.7 | Very low | 51 | Low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 138 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H6 | A4-H6 PolarHBondContact O-N 2.98Å; A4-H6 PolarHBondContact O-ND1 2.81Å |
| 5 | Y | 36.5 | Very low | 53.5 | Low | 232 Ų | 232 | 118.7 Ų | 118.7 | 91% | 0.91 | 69% | 0.694 | S | S | * | * | trans | -40.5 | 115.9 | 161 | -68.7 | -97.9 | 0 | 0 | 0 | 111.7 | A7 | Y5-A7 PolarHBondContact O-N 2.95Š| ||
| 6 | H | 40.3 | Very low | 55.8 | Low | 191 Ų | 191 | 111.3 Ų | 111.3 | 88% | 0.884 | 65% | 0.651 | S | S | * | * | trans | -84.1 | 98.1 | 164.5 | -86.9 | 51.2 | 0 | 0 | 0 | 108.7 | A4 G8 | A4-H6 PolarHBondContact O-N 2.98Å; A4-H6 PolarHBondContact O-ND1 2.81Å; H6-G8 PolarHBondContact O-N 3.2Å | ||
| 7 | A | 40.9 | Very low | 57.8 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | trans | -70.2 | 119.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y5 | Y5-A7 PolarHBondContact O-N 2.95Š| ||
| 8 | G | 42.5 | Very low | 59.6 | Low | 73 Ų | 73 | 107.7 Ų | 107.7 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | trans | 42.8 | 83.5 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | H6 | H6-G8 PolarHBondContact O-N 3.2Š| ||
| 9 | I | 42.8 | Very low | 61.3 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 78% | 0.779 | 61% | 0.605 | S | S | * | * | trans | -98.6 | 125 | 135.1 | -59.3 | 174.6 | 0 | 0 | 0 | 104.7 | E11 | I9-E11 PolarHBondContact O-N 2.71Š| ||
| 10 | P | 54.5 | Low | 62.9 | Low | 108 Ų | 108 | 100 Ų | 100 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | trans | -58.7 | 115.5 | 169.1 | 23.3 | -29.2 | 0 | 0 | 0 | 107.1 | D12 | P10-D12 PolarHBondContact O-N 3.16Š| ||
| 11 | E | 64.8 | Low | 64.3 | Low | 93 Ų | 93 | 97 Ų | 97 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | trans | -54.2 | 128.2 | 176 | -75.2 | -167.2 | 138.9 | 0 | 0 | 108.3 | I9 L16 | I9-E11 PolarHBondContact O-N 2.71Å; E11-L16 HydrophobicContact CB-CD1 4.22Å; E11-L16 HydrophobicContact CB-CD2 4.17Å; E11-L16 HydrophobicContact CB-CG 3.96Å; E11-L16 WeakPolarHBondContact OE2-CD2 3.32Å | ||
| 12 | D | 82 | Confident | 67.2 | Low | 81 Ų | 81 | 89.5 Ų | 89.5 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | trans | -52.9 | 125.8 | 179.8 | -179.3 | -25.4 | 0 | 0 | 0 | 108.5 | P10 N14 V15 L16 | P10-D12 PolarHBondContact O-N 3.16Å; D12-N14 PolarHBondContact O-N 3.31Å; D12-N14 WeakPolarHBondContact OD1-CB 3.47Å; D12-N14 PolarHBondContact OD1-N 3.14Å; D12-N14 PolarHBondContact OD1-ND2 3.01Å; D12-N14 VanDerWaalsContact OD1-ND2 3.16Å; D12-V15 HydrophobicContact CB-CB 4.19Å; D12-V15 HydrophobicContact CB-CG2 3.85Å; D12-V15 WeakPolarHBondContact O-CA 3.13Å; D12-V15 WeakPolarHBondContact O-CB 3.25Å; D12-V15 PolarHBondContact O-N 3.25Å; D12-L16 PolarHBondContact O-N 3.2Å | ||
| 13 | P | 84.4 | Confident | 70.2 | Confident | 45 Ų | 45 | 85.7 Ų | 85.7 | 29% | 0.292 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -50.6 | -33.7 | -179.9 | -23 | 27.6 | 0 | 0 | 0 | 112.9 | L16 V17 F75 L78 | P13-L16 PolarHBondContact O-N 3.49Å; P13-V17 VanDerWaalsContact O-CG2 3.22Å; P13-V17 WeakPolarHBondContact O-CG2 3.41Å; P13-V17 PolarHBondContact O-N 3.12Å; P13-F75 HydrophobicContact CB-CE2 4.35Å; P13-L78 HydrophobicContact CB-CD1 4Å; P13-L78 HydrophobicContact CG-CD1 3.91Å |
| 14 | N | 85.9 | Confident | 72.9 | Confident | 90 Ų | 90 | 77.5 Ų | 77.5 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 178.3 | -62.3 | -56.8 | 0 | 0 | 0 | 112.4 | D12 V17 Q18 | D12-N14 PolarHBondContact O-N 3.31Å; D12-N14 WeakPolarHBondContact OD1-CB 3.47Å; D12-N14 PolarHBondContact OD1-N 3.14Å; D12-N14 PolarHBondContact OD1-ND2 3.01Å; D12-N14 VanDerWaalsContact OD1-ND2 3.16Å; N14-V17 PolarHBondContact O-N 3.49Å; N14-Q18 WeakPolarHBondContact O-CB 3.47Å; N14-Q18 PolarHBondContact O-N 2.92Å |
| 15 | V | 88.5 | Confident | 75.6 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | D12 Q18 N19 | D12-V15 HydrophobicContact CB-CB 4.19Å; D12-V15 HydrophobicContact CB-CG2 3.85Å; D12-V15 WeakPolarHBondContact O-CA 3.13Å; D12-V15 WeakPolarHBondContact O-CB 3.25Å; D12-V15 PolarHBondContact O-N 3.25Å; V15-Q18 PolarHBondContact O-N 2.92Å; V15-N19 WeakPolarHBondContact O-CB 3.39Å; V15-N19 VanDerWaalsContact O-CG 3.22Å; V15-N19 PolarHBondContact O-N 3.26Å; V15-N19 PolarHBondContact O-ND2 3.14Å |
| 16 | L | 89.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58 | -51.8 | 173.1 | -74.7 | 171.8 | 0 | 0 | 0 | 111.4 | E11 D12 P13 Q18 N19 I20 L71 V74 F75 L78 | E11-L16 HydrophobicContact CB-CD1 4.22Å; E11-L16 HydrophobicContact CB-CD2 4.17Å; E11-L16 HydrophobicContact CB-CG 3.96Å; E11-L16 WeakPolarHBondContact OE2-CD2 3.32Å; D12-L16 PolarHBondContact O-N 3.2Å; P13-L16 PolarHBondContact O-N 3.49Å; L16-Q18 VanDerWaalsContact C-N 3.27Å; L16-Q18 PolarHBondContact O-N 3.14Å; L16-N19 PolarHBondContact O-N 3.14Å; L16-I20 HydrophobicContact CB-CD1 4.46Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.34Å; L16-I20 PolarHBondContact O-N 3.45Å; L16-L71 HydrophobicContact CD2-CD2 3.74Å; L16-V74 HydrophobicContact CD1-CG1 3.9Å; L16-V74 HydrophobicContact CD2-CG1 4.2Å; L16-F75 HydrophobicContact CB-CD2 4.09Å; L16-F75 HydrophobicContact CD1-CB 4.3Å; L16-F75 HydrophobicContact CD1-CD2 4.31Å; L16-L78 HydrophobicContact CD1-CD1 3.75Å; L16-L78 HydrophobicContact CD1-CG 4.46Å |
| 17 | V | 90.3 | Very high | 80.9 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 14% | 0.139 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | 177.7 | 170 | 0 | 0 | 0 | 0 | 111.1 | P13 N14 S21 F75 Q90 L94 | P13-V17 VanDerWaalsContact O-CG2 3.22Å; P13-V17 WeakPolarHBondContact O-CG2 3.41Å; P13-V17 PolarHBondContact O-N 3.12Å; N14-V17 PolarHBondContact O-N 3.49Å; V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.49Å; V17-S21 PolarHBondContact O-N 3.11Å; V17-S21 PolarHBondContact O-OG 3.03Å; V17-F75 HydrophobicContact CG2-CD2 4.12Å; V17-F75 HydrophobicContact CG2-CE2 3.42Å; V17-F75 VanDerWaalsContact CG2-CE2 3.42Å; V17-F75 HydrophobicContact CG2-CZ 3.7Å; V17-Q90 HydrophobicContact CG2-CB 4.33Å; V17-L94 HydrophobicContact CB-CD1 4.37Å; V17-L94 HydrophobicContact CG1-CD1 4.27Å; V17-L94 HydrophobicContact CG2-CD1 4.03Å |
| 18 | Q | 89.8 | Confident | 83.3 | Confident | 134 Ų | 134 | 60.5 Ų | 60.5 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 178.8 | -173.1 | 176.9 | 8.3 | 0 | 0 | 112.1 | N14 V15 L16 S21 S22 | N14-Q18 WeakPolarHBondContact O-CB 3.47Å; N14-Q18 PolarHBondContact O-N 2.92Å; V15-Q18 PolarHBondContact O-N 2.92Å; L16-Q18 VanDerWaalsContact C-N 3.27Å; L16-Q18 PolarHBondContact O-N 3.14Å; Q18-S21 PolarHBondContact O-N 3.27Å; Q18-S22 WeakPolarHBondContact O-CB 3.41Å; Q18-S22 PolarHBondContact O-N 3.09Å |
| 19 | N | 92.1 | Very high | 85.6 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 179.5 | -71.8 | -17.5 | 0 | 0 | 0 | 111.5 | V15 L16 S22 N23 L71 | V15-N19 WeakPolarHBondContact O-CB 3.39Å; V15-N19 VanDerWaalsContact O-CG 3.22Å; V15-N19 PolarHBondContact O-N 3.26Å; V15-N19 PolarHBondContact O-ND2 3.14Å; L16-N19 PolarHBondContact O-N 3.14Å; N19-S22 PolarHBondContact O-N 2.68Å; N19-N23 PolarHBondContact O-N 2.7Å; N19-L71 HydrophobicContact CB-CD1 3.93Å |
| 20 | I | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -51.4 | 175.8 | -65.3 | 160.5 | 0 | 0 | 0 | 109.5 | L16 S22 N23 I24 T68 L71 M72 F75 L94 | L16-I20 HydrophobicContact CB-CD1 4.46Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CD1 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.34Å; L16-I20 PolarHBondContact O-N 3.45Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.41Å; I20-N23 PolarHBondContact O-N 3Å; I20-I24 HydrophobicContact CG2-CD1 3.75Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.34Å; I20-T68 HydrophobicContact CG2-CG2 3.91Å; I20-L71 HydrophobicContact CD1-CB 4.05Å; I20-L71 HydrophobicContact CG1-CB 3.53Å; I20-L71 HydrophobicContact CG1-CD1 4.22Å; I20-M72 HydrophobicContact CD1-CG 4.36Å; I20-M72 HydrophobicContact CD1-SD 3.77Å; I20-M72 HydrophobicContact CG1-SD 4.38Å; I20-M72 HydrophobicContact CG2-CG 4.16Å; I20-M72 HydrophobicContact CG2-SD 3.7Å; I20-F75 HydrophobicContact CD1-CB 4.02Å; I20-F75 HydrophobicContact CD1-CG 4.38Å; I20-L94 HydrophobicContact CB-CD1 4.39Å; I20-L94 HydrophobicContact CB-CD2 4.36Å; I20-L94 HydrophobicContact CD1-CD1 4.15Å; I20-L94 HydrophobicContact CG2-CB 4.28Å; I20-L94 HydrophobicContact CG2-CD1 4.13Å; I20-L94 HydrophobicContact CG2-CD2 3.83Å; I20-L94 HydrophobicContact CG2-CG 4.3Å |
| 21 | S | 93.6 | Very high | 89.7 | Confident | 39 Ų | 39 | 47.1 Ų | 47.1 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 112 | V17 Q18 I24 Q25 L94 | V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.49Å; V17-S21 PolarHBondContact O-N 3.11Å; V17-S21 PolarHBondContact O-OG 3.03Å; Q18-S21 PolarHBondContact O-N 3.27Å; S21-I24 PolarHBondContact O-N 3.28Å; S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.29Å; S21-Q25 PolarHBondContact O-N 3.17Å; S21-L94 WeakPolarHBondContact OG-CD2 3.38Å |
| 22 | S | 94.3 | Very high | 90.9 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 178.6 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | Q18 N19 I20 Q25 R26 | Q18-S22 WeakPolarHBondContact O-CB 3.41Å; Q18-S22 PolarHBondContact O-N 3.09Å; N19-S22 PolarHBondContact O-N 2.68Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.41Å; S22-Q25 PolarHBondContact O-N 3Å; S22-R26 WeakPolarHBondContact O-CG 3.31Å; S22-R26 PolarHBondContact O-N 3.44Å |
| 23 | N | 94.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.5 | -73.3 | -5 | 0 | 0 | 0 | 111.8 | N19 I20 Q25 R26 I27 L64 T68 | N19-N23 PolarHBondContact O-N 2.7Å; I20-N23 PolarHBondContact O-N 3Å; N23-Q25 VanDerWaalsContact C-N 3.3Å; N23-Q25 PolarHBondContact O-N 3.27Å; N23-R26 WeakPolarHBondContact O-CB 3.37Å; N23-R26 PolarHBondContact O-N 3.44Å; N23-R26 VanDerWaalsContact O-N 3.1Å; N23-I27 WeakPolarHBondContact O-CG1 3.41Å; N23-I27 PolarHBondContact O-N 3.15Å; N23-L64 HydrophobicContact CB-CD2 4.26Å; N23-T68 WeakPolarHBondContact CB-OG1 3.47Å; N23-T68 PolarHBondContact ND2-OG1 3.11Å |
| 24 | I | 94.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -47.8 | 175.4 | -67.3 | 166.8 | 0 | 0 | 0 | 110.1 | I20 S21 R26 I27 T28 T68 L94 D97 F98 A101 | I20-I24 HydrophobicContact CG2-CD1 3.75Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 VanDerWaalsContact O-CG1 3.29Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.34Å; S21-I24 PolarHBondContact O-N 3.28Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 PolarHBondContact O-N 2.97Å; I24-I27 WeakPolarHBondContact O-CB 3.26Å; I24-I27 PolarHBondContact O-N 3.44Å; I24-T28 PolarHBondContact O-N 2.97Å; I24-T28 PolarHBondContact O-OG1 3.39Å; I24-T28 VanDerWaalsContact O-OG1 3.14Å; I24-T68 HydrophobicContact CG1-CG2 4.12Å; I24-L94 HydrophobicContact CD1-CD2 4.29Å; I24-D97 HydrophobicContact CD1-CB 4.15Å; I24-D97 HydrophobicContact CG2-CB 4.2Å; I24-F98 HydrophobicContact CD1-CB 3.76Å; I24-F98 HydrophobicContact CG1-CB 3.99Å; I24-F98 HydrophobicContact CG1-CD2 4.06Å; I24-F98 HydrophobicContact CG1-CG 4.33Å; I24-A101 HydrophobicContact CG2-CB 3.99Å |
| 25 | Q | 92.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.1 | -71.9 | 174.3 | -5.1 | 0 | 0 | 112.3 | S21 S22 N23 T28 L29 L225 | S21-Q25 VanDerWaalsContact O-CG 3.31Å; S21-Q25 WeakPolarHBondContact O-CG 3.29Å; S21-Q25 PolarHBondContact O-N 3.17Å; S22-Q25 PolarHBondContact O-N 3Å; N23-Q25 VanDerWaalsContact C-N 3.3Å; N23-Q25 PolarHBondContact O-N 3.27Å; Q25-T28 PolarHBondContact O-N 3.38Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.43Å; Q25-L29 PolarHBondContact O-N 3.38Å; Q25-L225 HydrophobicContact CB-CD1 4.2Å |
| 26 | R | 92.6 | Very high | 91.3 | Very high | 138 Ų | 138 | 46.6 Ų | 46.6 | 52% | 0.521 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 176.3 | -74.1 | 172.8 | 170 | -174.1 | -2 | 112.2 | S22 N23 I24 T28 L29 L30 L64 | S22-R26 WeakPolarHBondContact O-CG 3.31Å; S22-R26 PolarHBondContact O-N 3.44Å; N23-R26 WeakPolarHBondContact O-CB 3.37Å; N23-R26 PolarHBondContact O-N 3.44Å; N23-R26 VanDerWaalsContact O-N 3.1Å; I24-R26 VanDerWaalsContact C-N 3.33Å; I24-R26 PolarHBondContact O-N 2.97Å; R26-T28 VanDerWaalsContact C-N 3.34Å; R26-L29 PolarHBondContact O-N 2.94Å; R26-L30 WeakPolarHBondContact O-CB 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.45Å; R26-L30 PolarHBondContact O-N 3.29Å; R26-L64 HydrophobicContact CB-CD1 3.79Å |
| 27 | I | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.4 | -68.6 | 165.6 | 0 | 0 | 0 | 109.8 | N23 I24 L29 L30 T31 L64 A65 F98 A101 L105 | N23-I27 WeakPolarHBondContact O-CG1 3.41Å; N23-I27 PolarHBondContact O-N 3.15Å; I24-I27 WeakPolarHBondContact O-CB 3.26Å; I24-I27 PolarHBondContact O-N 3.44Å; I27-L29 PolarHBondContact O-N 3.27Å; I27-L30 PolarHBondContact O-N 2.89Å; I27-T31 WeakPolarHBondContact O-CB 3.48Å; I27-T31 PolarHBondContact O-N 3.26Å; I27-T31 PolarHBondContact O-OG1 3.48Å; I27-L64 HydrophobicContact CD1-CB 4.04Å; I27-L64 HydrophobicContact CG1-CB 3.65Å; I27-L64 HydrophobicContact CG1-CD1 4.29Å; I27-A65 HydrophobicContact CD1-CB 4.46Å; I27-F98 HydrophobicContact CD1-CD2 4.44Å; I27-F98 HydrophobicContact CD1-CE2 3.95Å; I27-A101 HydrophobicContact CB-CB 4.47Å; I27-A101 HydrophobicContact CG2-CB 3.99Å; I27-L105 HydrophobicContact CG2-CB 4.35Å; I27-L105 HydrophobicContact CG2-CD2 4.16Å |
| 28 | T | 91.8 | Very high | 91 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 178.1 | -59 | 0 | 0 | 0 | 0 | 111.7 | I24 Q25 R26 T31 S32 V218 | I24-T28 PolarHBondContact O-N 2.97Å; I24-T28 PolarHBondContact O-OG1 3.39Å; I24-T28 VanDerWaalsContact O-OG1 3.14Å; Q25-T28 PolarHBondContact O-N 3.38Å; R26-T28 VanDerWaalsContact C-N 3.34Å; T28-T31 WeakPolarHBondContact O-CB 3.37Å; T28-T31 PolarHBondContact O-N 2.88Å; T28-S32 PolarHBondContact O-N 2.79Å; T28-S32 VanDerWaalsContact O-N 3.08Å; T28-S32 PolarHBondContact O-OG 2.86Å; T28-V218 HydrophobicContact CG2-CG2 3.61Å |
| 29 | L | 90.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 177.5 | -69.5 | 172.3 | 0 | 0 | 0 | 112.3 | Q25 R26 I27 T31 S32 E33 Q222 L225 | Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.43Å; Q25-L29 PolarHBondContact O-N 3.38Å; R26-L29 PolarHBondContact O-N 2.94Å; I27-L29 PolarHBondContact O-N 3.27Å; L29-T31 PolarHBondContact O-N 3.11Å; L29-S32 PolarHBondContact O-N 3.41Å; L29-E33 WeakPolarHBondContact O-CG 3.43Å; L29-E33 PolarHBondContact O-N 3.32Å; L29-E33 VanDerWaalsContact O-N 3.09Å; L29-Q222 HydrophobicContact CD2-CG 3.46Å; L29-Q222 VanDerWaalsContact CD2-CG 3.46Å; L29-L225 HydrophobicContact CD1-CD1 3.71Å |
| 30 | L | 92.1 | Very high | 90.5 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 177.2 | -77.6 | 166.6 | 0 | 0 | 0 | 111.5 | R26 I27 E33 L34 K57 Q60 L64 | R26-L30 WeakPolarHBondContact O-CB 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.45Å; R26-L30 PolarHBondContact O-N 3.29Å; I27-L30 PolarHBondContact O-N 2.89Å; L30-E33 PolarHBondContact O-N 3.46Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 WeakPolarHBondContact O-CG 3.18Å; L30-L34 PolarHBondContact O-N 3.03Å; L30-K57 HydrophobicContact CD2-CB 4.47Å; L30-K57 HydrophobicContact CD2-CG 4.2Å; L30-Q60 HydrophobicContact CD1-CB 4.32Å; L30-Q60 HydrophobicContact CD1-CG 3.79Å; L30-L64 HydrophobicContact CD1-CD1 3.46Å; L30-L64 VanDerWaalsContact CD1-CD1 3.46Å |
| 31 | T | 91.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111 | I27 T28 L29 E33 L34 Q35 S104 T108 | I27-T31 WeakPolarHBondContact O-CB 3.48Å; I27-T31 PolarHBondContact O-N 3.26Å; I27-T31 PolarHBondContact O-OG1 3.48Å; T28-T31 WeakPolarHBondContact O-CB 3.37Å; T28-T31 PolarHBondContact O-N 2.88Å; L29-T31 PolarHBondContact O-N 3.11Å; T31-E33 VanDerWaalsContact C-N 3.29Å; T31-E33 PolarHBondContact O-N 2.71Å; T31-L34 WeakPolarHBondContact O-CB 3.38Å; T31-L34 PolarHBondContact O-N 3.12Å; T31-Q35 VanDerWaalsContact O-CG 3.32Å; T31-Q35 WeakPolarHBondContact O-CG 3.16Å; T31-Q35 PolarHBondContact O-N 3Å; T31-S104 WeakPolarHBondContact CG2-OG 3.05Å; T31-T108 WeakPolarHBondContact CG2-OG1 3.49Å |
| 32 | S | 88.9 | Confident | 89 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | T28 L29 R36 | T28-S32 PolarHBondContact O-N 2.79Å; T28-S32 VanDerWaalsContact O-N 3.08Å; T28-S32 PolarHBondContact O-OG 2.86Å; L29-S32 PolarHBondContact O-N 3.41Å; S32-R36 WeakPolarHBondContact O-CG 3.31Å; S32-R36 PolarHBondContact O-N 3.05Å |
| 33 | E | 87.4 | Confident | 88.4 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.7 | -41 | 174.8 | -68.5 | 177.6 | 176.5 | 0 | 0 | 112.2 | L29 L30 T31 R36 A37 K57 | L29-E33 WeakPolarHBondContact O-CG 3.43Å; L29-E33 PolarHBondContact O-N 3.32Å; L29-E33 VanDerWaalsContact O-N 3.09Å; L30-E33 PolarHBondContact O-N 3.46Å; T31-E33 VanDerWaalsContact C-N 3.29Å; T31-E33 PolarHBondContact O-N 2.71Å; E33-R36 PolarHBondContact O-N 3.06Å; E33-A37 PolarHBondContact O-N 3.37Å; E33-A37 VanDerWaalsContact O-N 3.09Å; E33-K57 HydrophobicContact CB-CD 4.28Å; E33-K57 IonicContact OE2-NZ 2.68Å; E33-K57 PolarHBondContact OE2-NZ 2.88Å |
| 34 | L | 88.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 174.4 | -80.2 | 171.9 | 0 | 0 | 0 | 111.3 | L30 T31 R36 A37 V38 L54 K57 Q58 L105 T108 | L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 WeakPolarHBondContact O-CG 3.18Å; L30-L34 PolarHBondContact O-N 3.03Å; T31-L34 WeakPolarHBondContact O-CB 3.38Å; T31-L34 PolarHBondContact O-N 3.12Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.41Å; L34-A37 PolarHBondContact O-N 3.32Å; L34-A37 VanDerWaalsContact O-N 3.11Å; L34-V38 WeakPolarHBondContact O-CB 3.31Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.88Å; L34-L54 HydrophobicContact CD2-CG 4.29Å; L34-K57 HydrophobicContact CD1-CB 4.47Å; L34-K57 HydrophobicContact CD2-CB 3.53Å; L34-K57 HydrophobicContact CG-CB 3.92Å; L34-Q58 HydrophobicContact CD1-CG 4.29Å; L34-Q58 HydrophobicContact CD2-CG 3.84Å; L34-L105 HydrophobicContact CD1-CD1 3.9Å; L34-T108 HydrophobicContact CB-CG2 3.82Å |
| 35 | Q | 88.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 177.1 | -75.5 | 172.5 | -13.6 | 0 | 0 | 112 | T31 V38 F39 T108 | T31-Q35 VanDerWaalsContact O-CG 3.32Å; T31-Q35 WeakPolarHBondContact O-CG 3.16Å; T31-Q35 PolarHBondContact O-N 3Å; Q35-V38 PolarHBondContact O-N 3.37Å; Q35-F39 WeakPolarHBondContact O-CB 3.42Å; Q35-F39 PolarHBondContact O-N 3.37Å; Q35-T108 HydrophobicContact CB-CG2 4.41Å; Q35-T108 HydrophobicContact CG-CG2 3.6Å; Q35-T108 VanDerWaalsContact CG-OG1 3.29Å; Q35-T108 WeakPolarHBondContact CG-OG1 3.23Å; Q35-T108 PolarHBondContact NE2-OG1 2.89Å |
| 36 | R | 86.1 | Confident | 86.4 | Confident | 180 Ų | 180 | 59.9 Ų | 59.9 | 68% | 0.679 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 175.3 | -66.2 | 174.2 | -174.1 | 169.4 | 2.1 | 111.4 | S32 E33 L34 F39 L40 | S32-R36 WeakPolarHBondContact O-CG 3.31Å; S32-R36 PolarHBondContact O-N 3.05Å; E33-R36 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 3.41Å; R36-F39 WeakPolarHBondContact O-CB 3.34Å; R36-F39 PolarHBondContact O-N 3.26Å; R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.42Å |
| 37 | A | 85.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E33 L34 F39 L40 L41 L50 L54 | E33-A37 PolarHBondContact O-N 3.37Å; E33-A37 VanDerWaalsContact O-N 3.09Å; L34-A37 PolarHBondContact O-N 3.32Å; L34-A37 VanDerWaalsContact O-N 3.11Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.88Å; A37-L40 PolarHBondContact O-N 3.44Å; A37-L40 VanDerWaalsContact O-N 3.15Å; A37-L41 PolarHBondContact O-N 3.21Å; A37-L50 HydrophobicContact CB-CD1 3.92Å; A37-L54 HydrophobicContact CB-CB 4.46Å; A37-L54 HydrophobicContact CB-CD1 4.02Å |
| 38 | V | 87.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L34 Q35 L40 L41 L54 T108 Q111 A112 K115 | L34-V38 WeakPolarHBondContact O-CB 3.31Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.39Å; L34-V38 PolarHBondContact O-N 2.88Å; Q35-V38 PolarHBondContact O-N 3.37Å; V38-L40 PolarHBondContact O-N 3.11Å; V38-L41 WeakPolarHBondContact O-CB 3.46Å; V38-L41 PolarHBondContact O-N 2.95Å; V38-L54 HydrophobicContact CG2-CD1 3.76Å; V38-T108 HydrophobicContact CG2-CG2 4.29Å; V38-Q111 HydrophobicContact CG1-CB 4.2Å; V38-A112 HydrophobicContact CG1-CB 4.4Å; V38-A112 HydrophobicContact CG2-CB 3.61Å; V38-K115 HydrophobicContact CG1-CD 4.13Å; V38-K115 WeakPolarHBondContact O-CD 3.36Å; V38-K115 WeakPolarHBondContact O-CE 3.33Å; V38-K115 PolarHBondContact O-NZ 3.43Å |
| 39 | F | 85.6 | Confident | 85.5 | Confident | 154 Ų | 154 | 65.4 Ų | 65.4 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.5 | -36.9 | 175.9 | -174.3 | -97.7 | 0 | 0 | 0 | 112 | Q35 R36 A37 K115 | Q35-F39 WeakPolarHBondContact O-CB 3.42Å; Q35-F39 PolarHBondContact O-N 3.37Å; R36-F39 WeakPolarHBondContact O-CB 3.34Å; R36-F39 PolarHBondContact O-N 3.26Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.88Å; F39-K115 PolarHBondContact O-NZ 2.83Å |
| 40 | L | 84.4 | Confident | 85.3 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77 | -19.4 | 178.3 | -60.8 | 174.7 | 0 | 0 | 0 | 113.8 | R36 A37 V38 G42 T43 Q45 L50 | R36-L40 WeakPolarHBondContact O-CG 3.5Å; R36-L40 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.44Å; A37-L40 VanDerWaalsContact O-N 3.15Å; V38-L40 PolarHBondContact O-N 3.11Å; L40-G42 PolarHBondContact O-N 2.9Å; L40-T43 WeakPolarHBondContact O-CB 3.41Å; L40-T43 PolarHBondContact O-N 3.14Å; L40-T43 PolarHBondContact O-OG1 2.93Å; L40-Q45 HydrophobicContact CD2-CB 4.38Å; L40-L50 HydrophobicContact CB-CD2 3.66Å; L40-L50 HydrophobicContact CD1-CD1 4.33Å |
| 41 | L | 82.6 | Confident | 85 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 133.8 | 174.2 | -70.4 | -177.2 | 0 | 0 | 0 | 111.2 | A37 V38 T43 L50 R51 L54 K115 | A37-L41 PolarHBondContact O-N 3.21Å; V38-L41 WeakPolarHBondContact O-CB 3.46Å; V38-L41 PolarHBondContact O-N 2.95Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-L50 HydrophobicContact CD2-CD2 4.3Å; L41-R51 HydrophobicContact CD2-CG 4.28Å; L41-L54 HydrophobicContact CD1-CD1 3.61Å; L41-L54 HydrophobicContact CD2-CD1 4.38Å; L41-L54 HydrophobicContact CG-CD1 4.01Å; L41-K115 HydrophobicContact CB-CD 4.03Å; L41-K115 PolarHBondContact O-NZ 3.31Å |
| 42 | G | 73.1 | Confident | 84.9 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 6.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L40 D46 | L40-G42 PolarHBondContact O-N 2.9Å; G42-D46 PolarHBondContact N-OD2 3.01Å |
| 43 | T | 81.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -101.3 | 175.9 | 173.4 | 73.4 | 0 | 0 | 0 | 0 | 111 | L40 L41 Q45 D46 | L40-T43 WeakPolarHBondContact O-CB 3.41Å; L40-T43 PolarHBondContact O-N 3.14Å; L40-T43 PolarHBondContact O-OG1 2.93Å; L41-T43 VanDerWaalsContact C-N 3.3Å; T43-Q45 PolarHBondContact O-N 3.03Å; T43-Q45 PolarHBondContact OG1-N 3.44Å; T43-D46 WeakPolarHBondContact O-CB 3.49Å; T43-D46 PolarHBondContact O-N 3.3Å |
| 44 | D | 77.8 | Confident | 84.9 | Confident | 170 Ų | 170 | 68.9 Ų | 68.9 | 91% | 0.909 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.7 | 174.8 | -53.6 | -34.9 | 0 | 0 | 0 | 113.7 | D46 | D44-D46 VanDerWaalsContact C-N 3.34Š|
| 45 | Q | 78.4 | Confident | 85 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1.3 | 176.7 | -59.7 | -63 | -56.6 | 0 | 0 | 113.1 | L40 T43 S47 | L40-Q45 HydrophobicContact CD2-CB 4.38Å; T43-Q45 PolarHBondContact O-N 3.03Å; T43-Q45 PolarHBondContact OG1-N 3.44Å; Q45-S47 PolarHBondContact O-N 3.09Å |
| 46 | D | 83.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.15 | 38% | 0.376 | C | S | . | . | trans | -71.3 | 99.8 | 179.7 | -168.3 | -32.2 | 0 | 0 | 0 | 110.8 | G42 T43 D44 R51 R172 | G42-D46 PolarHBondContact N-OD2 3.01Å; T43-D46 WeakPolarHBondContact O-CB 3.49Å; T43-D46 PolarHBondContact O-N 3.3Å; D44-D46 VanDerWaalsContact C-N 3.34Å; D46-R51 IonicContact OD1-CZ 3.66Å; D46-R51 IonicContact OD1-NE 3.82Å; D46-R51 PolarHBondContact OD1-NE 3.17Å; D46-R51 IonicContact OD1-NH2 2.66Å; D46-R51 PolarHBondContact OD1-NH2 2.88Å; D46-R172 IonicContact OD1-CZ 3.71Å; D46-R172 IonicContact OD1-NH1 2.7Å; D46-R172 IonicContact OD1-NH2 3.13Å; D46-R172 PolarHBondContact OD1-NH2 3.38Å; D46-R172 VanDerWaalsContact OD1-NH2 3.08Å; D46-R172 IonicContact OD2-CZ 2.71Å; D46-R172 IonicContact OD2-NH1 2.68Å; D46-R172 IonicContact OD2-NH2 3.26Å; D46-R172 PolarHBondContact OD2-NH2 2.85Å | ||
| 47 | S | 86.7 | Confident | 85.4 | Confident | 51 Ų | 51 | 68 Ų | 68 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -116.5 | 158.3 | -179.3 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | Q45 Q49 L50 R51 | Q45-S47 PolarHBondContact O-N 3.09Å; S47-Q49 PolarHBondContact O-N 3.02Å; S47-L50 WeakPolarHBondContact O-CB 3.04Å; S47-L50 PolarHBondContact O-N 3.05Å; S47-L50 VanDerWaalsContact O-N 3.09Å; S47-L50 PolarHBondContact OG-N 3.5Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.66Å; S47-R51 VanDerWaalsContact O-N 3.11Å | ||
| 48 | N | 86 | Confident | 85.7 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.6 | -34.9 | 174.1 | -67.2 | -22.9 | 0 | 0 | 0 | 112.2 | R51 Q52 | N48-R51 PolarHBondContact O-N 2.94Å; N48-R51 PolarHBondContact OD1-NH1 2.8Å; N48-Q52 WeakPolarHBondContact O-CG 3.49Å; N48-Q52 PolarHBondContact O-N 3.35Å |
| 49 | Q | 87.6 | Confident | 86 | Confident | 151 Ų | 151 | 72.5 Ų | 72.5 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 176 | -70.1 | -177.4 | -19.8 | 0 | 0 | 112.4 | S47 R51 T53 | S47-Q49 PolarHBondContact O-N 3.02Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-T53 WeakPolarHBondContact O-CB 3.29Å; Q49-T53 PolarHBondContact O-N 2.87Å; Q49-T53 PolarHBondContact O-OG1 2.83Å |
| 50 | L | 87.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 175.5 | 179.5 | 69.4 | 0 | 0 | 0 | 110.8 | A37 L40 L41 S47 T53 L54 | A37-L50 HydrophobicContact CB-CD1 3.92Å; L40-L50 HydrophobicContact CB-CD2 3.66Å; L40-L50 HydrophobicContact CD1-CD1 4.33Å; L41-L50 HydrophobicContact CD2-CD2 4.3Å; S47-L50 WeakPolarHBondContact O-CB 3.04Å; S47-L50 PolarHBondContact O-N 3.05Å; S47-L50 VanDerWaalsContact O-N 3.09Å; S47-L50 PolarHBondContact OG-N 3.5Å; L50-T53 PolarHBondContact O-N 3.41Å; L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.15Å; L50-L54 PolarHBondContact O-N 3.21Å |
| 51 | R | 86.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 179.2 | -63.7 | 171.2 | -158.8 | 169.3 | -4 | 112.5 | L41 D46 S47 N48 Q49 T53 L54 Q55 R172 | L41-R51 HydrophobicContact CD2-CG 4.28Å; D46-R51 IonicContact OD1-CZ 3.66Å; D46-R51 IonicContact OD1-NE 3.82Å; D46-R51 PolarHBondContact OD1-NE 3.17Å; D46-R51 IonicContact OD1-NH2 2.66Å; D46-R51 PolarHBondContact OD1-NH2 2.88Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 2.66Å; S47-R51 VanDerWaalsContact O-N 3.11Å; N48-R51 PolarHBondContact O-N 2.94Å; N48-R51 PolarHBondContact OD1-NH1 2.8Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; R51-T53 VanDerWaalsContact C-N 3.33Å; R51-T53 PolarHBondContact O-N 2.7Å; R51-L54 WeakPolarHBondContact O-CB 3.41Å; R51-L54 PolarHBondContact O-N 2.84Å; R51-Q55 WeakPolarHBondContact O-CG 3.33Å; R51-Q55 PolarHBondContact O-N 2.92Å; R51-R172 VanDerWaalsContact CD-CZ 3.48Å; R51-R172 VanDerWaalsContact CD-NH1 3.33Å |
| 52 | Q | 88.5 | Confident | 87.5 | Confident | 121 Ų | 121 | 66.9 Ų | 66.9 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.9 | -43.8 | 175.3 | -73.6 | 176.4 | 3.6 | 0 | 0 | 111.5 | N48 L54 Q55 Q56 | N48-Q52 WeakPolarHBondContact O-CG 3.49Å; N48-Q52 PolarHBondContact O-N 3.35Å; Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 3.44Å; Q52-Q55 PolarHBondContact O-N 2.91Å; Q52-Q56 WeakPolarHBondContact O-CB 3.46Å; Q52-Q56 PolarHBondContact O-N 3.34Å |
| 53 | T | 87.6 | Confident | 88.6 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.4 | -58 | 0 | 0 | 0 | 0 | 111.2 | Q49 L50 R51 Q56 K57 | Q49-T53 WeakPolarHBondContact O-CB 3.29Å; Q49-T53 PolarHBondContact O-N 2.87Å; Q49-T53 PolarHBondContact O-OG1 2.83Å; L50-T53 PolarHBondContact O-N 3.41Å; R51-T53 VanDerWaalsContact C-N 3.33Å; R51-T53 PolarHBondContact O-N 2.7Å; T53-Q56 PolarHBondContact O-N 3.32Å; T53-K57 HydrophobicContact CG2-CD 4.13Å; T53-K57 WeakPolarHBondContact O-CB 3.41Å; T53-K57 VanDerWaalsContact O-CG 3.31Å; T53-K57 WeakPolarHBondContact O-CG 3.39Å; T53-K57 PolarHBondContact O-N 3.48Å |
| 54 | L | 89.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -47 | 177.7 | 176.8 | 142 | 0 | 0 | 0 | 111.5 | L34 A37 V38 L41 L50 R51 Q52 Q56 K57 Q58 | L34-L54 HydrophobicContact CD2-CG 4.29Å; A37-L54 HydrophobicContact CB-CB 4.46Å; A37-L54 HydrophobicContact CB-CD1 4.02Å; V38-L54 HydrophobicContact CG2-CD1 3.76Å; L41-L54 HydrophobicContact CD1-CD1 3.61Å; L41-L54 HydrophobicContact CD2-CD1 4.38Å; L41-L54 HydrophobicContact CG-CD1 4.01Å; L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.15Å; L50-L54 PolarHBondContact O-N 3.21Å; R51-L54 WeakPolarHBondContact O-CB 3.41Å; R51-L54 PolarHBondContact O-N 2.84Å; Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 3.44Å; L54-Q56 PolarHBondContact O-N 3.01Å; L54-K57 PolarHBondContact O-N 3.37Å; L54-Q58 WeakPolarHBondContact O-CB 3.4Å; L54-Q58 VanDerWaalsContact O-CG 3.24Å; L54-Q58 WeakPolarHBondContact O-CG 3.47Å; L54-Q58 PolarHBondContact O-N 3.41Å |
| 55 | Q | 90.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.9 | -73.8 | 179.1 | -6.1 | 0 | 0 | 112 | R51 Q52 K57 Q58 Q59 | R51-Q55 WeakPolarHBondContact O-CG 3.33Å; R51-Q55 PolarHBondContact O-N 2.92Å; Q52-Q55 PolarHBondContact O-N 2.91Å; Q55-K57 PolarHBondContact O-N 3.2Å; Q55-Q58 PolarHBondContact O-N 2.96Å; Q55-Q59 WeakPolarHBondContact O-CG 3.39Å; Q55-Q59 PolarHBondContact O-N 2.9Å |
| 56 | Q | 91.6 | Very high | 91.1 | Very high | 131 Ų | 131 | 56.2 Ų | 56.2 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 178 | -174.1 | -176 | 22.2 | 0 | 0 | 111.6 | Q52 T53 L54 Q59 Q60 | Q52-Q56 WeakPolarHBondContact O-CB 3.46Å; Q52-Q56 PolarHBondContact O-N 3.34Å; T53-Q56 PolarHBondContact O-N 3.32Å; L54-Q56 PolarHBondContact O-N 3.01Å; Q56-Q59 PolarHBondContact O-N 3.33Å; Q56-Q60 WeakPolarHBondContact O-CB 3.4Å; Q56-Q60 PolarHBondContact O-N 2.87Å |
| 57 | K | 90.2 | Very high | 91.6 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 178.9 | -74.4 | -179.2 | -175.4 | -63.5 | 0 | 112.3 | L30 E33 L34 T53 L54 Q55 Q60 G61 | L30-K57 HydrophobicContact CD2-CB 4.47Å; L30-K57 HydrophobicContact CD2-CG 4.2Å; E33-K57 HydrophobicContact CB-CD 4.28Å; E33-K57 IonicContact OE2-NZ 2.68Å; E33-K57 PolarHBondContact OE2-NZ 2.88Å; L34-K57 HydrophobicContact CD1-CB 4.47Å; L34-K57 HydrophobicContact CD2-CB 3.53Å; L34-K57 HydrophobicContact CG-CB 3.92Å; T53-K57 HydrophobicContact CG2-CD 4.13Å; T53-K57 WeakPolarHBondContact O-CB 3.41Å; T53-K57 VanDerWaalsContact O-CG 3.31Å; T53-K57 WeakPolarHBondContact O-CG 3.39Å; T53-K57 PolarHBondContact O-N 3.48Å; L54-K57 PolarHBondContact O-N 3.37Å; Q55-K57 PolarHBondContact O-N 3.2Å; K57-Q60 PolarHBondContact O-N 3.32Å; K57-G61 PolarHBondContact O-N 3.02Å |
| 58 | Q | 92 | Very high | 92.1 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 173.9 | -76.7 | 168 | -12.5 | 0 | 0 | 111.2 | L34 L54 Q55 Q60 G61 N62 L179 | L34-Q58 HydrophobicContact CD1-CG 4.29Å; L34-Q58 HydrophobicContact CD2-CG 3.84Å; L54-Q58 WeakPolarHBondContact O-CB 3.4Å; L54-Q58 VanDerWaalsContact O-CG 3.24Å; L54-Q58 WeakPolarHBondContact O-CG 3.47Å; L54-Q58 PolarHBondContact O-N 3.41Å; Q55-Q58 PolarHBondContact O-N 2.96Å; Q58-Q60 VanDerWaalsContact C-N 3.32Å; Q58-Q60 PolarHBondContact O-N 3.38Å; Q58-G61 PolarHBondContact O-N 3.26Å; Q58-G61 VanDerWaalsContact O-N 3.17Å; Q58-N62 PolarHBondContact O-N 2.98Å; Q58-L179 VanDerWaalsContact CD-CD2 3.41Å; Q58-L179 HydrophobicContact CG-CD2 4.19Å |
| 59 | Q | 92.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 177 | -71.6 | 179.5 | -13.2 | 0 | 0 | 111.8 | Q55 Q56 N62 Q63 | Q55-Q59 WeakPolarHBondContact O-CG 3.39Å; Q55-Q59 PolarHBondContact O-N 2.9Å; Q56-Q59 PolarHBondContact O-N 3.33Å; Q59-N62 PolarHBondContact O-N 2.68Å; Q59-Q63 WeakPolarHBondContact O-CB 3.42Å; Q59-Q63 PolarHBondContact O-N 3.44Å |
| 60 | Q | 94.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.3 | -171.6 | -179.6 | 10.7 | 0 | 0 | 112.1 | L30 Q56 K57 Q58 Q63 L64 | L30-Q60 HydrophobicContact CD1-CB 4.32Å; L30-Q60 HydrophobicContact CD1-CG 3.79Å; Q56-Q60 WeakPolarHBondContact O-CB 3.4Å; Q56-Q60 PolarHBondContact O-N 2.87Å; K57-Q60 PolarHBondContact O-N 3.32Å; Q58-Q60 VanDerWaalsContact C-N 3.32Å; Q58-Q60 PolarHBondContact O-N 3.38Å; Q60-Q63 PolarHBondContact O-N 3.3Å; Q60-L64 HydrophobicContact CG-CD1 4.33Å; Q60-L64 WeakPolarHBondContact O-CB 3.37Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 2.93Å |
| 61 | G | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | K57 Q58 L64 A65 | K57-G61 PolarHBondContact O-N 3.02Å; Q58-G61 PolarHBondContact O-N 3.26Å; Q58-G61 VanDerWaalsContact O-N 3.17Å; G61-L64 PolarHBondContact O-N 3.39Å; G61-A65 PolarHBondContact O-N 2.88Å |
| 62 | N | 95.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 177.9 | -168.5 | 10.2 | 0 | 0 | 0 | 111.7 | Q58 Q59 L64 A65 K66 D182 D185 | Q58-N62 PolarHBondContact O-N 2.98Å; Q59-N62 PolarHBondContact O-N 2.68Å; N62-L64 PolarHBondContact O-N 3.45Å; N62-A65 WeakPolarHBondContact O-CB 3.42Å; N62-A65 PolarHBondContact O-N 3Å; N62-K66 WeakPolarHBondContact O-CG 3.38Å; N62-K66 PolarHBondContact O-N 2.71Å; N62-K66 WeakPolarHBondContact OD1-CE 3.47Å; N62-D182 HydrophobicContact CB-CB 4.43Å; N62-D182 PolarHBondContact ND2-OD1 3.44Å; N62-D185 PolarHBondContact ND2-OD2 2.92Å |
| 63 | Q | 96.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.5 | -174.7 | 58.2 | 45.5 | 0 | 0 | 112.1 | Q59 Q60 A65 K66 D67 | Q59-Q63 WeakPolarHBondContact O-CB 3.42Å; Q59-Q63 PolarHBondContact O-N 3.44Å; Q60-Q63 PolarHBondContact O-N 3.3Å; Q63-A65 VanDerWaalsContact C-N 3.3Å; Q63-A65 PolarHBondContact O-N 3.48Å; Q63-K66 PolarHBondContact O-N 3.08Å; Q63-D67 PolarHBondContact NE2-OD1 3.32Å; Q63-D67 PolarHBondContact NE2-OD2 2.98Å; Q63-D67 PolarHBondContact O-N 3.47Å |
| 64 | L | 96 | Very high | 93.9 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.2 | -77.3 | 168.3 | 0 | 0 | 0 | 111.8 | N23 R26 I27 L30 Q60 G61 N62 D67 T68 | N23-L64 HydrophobicContact CB-CD2 4.26Å; R26-L64 HydrophobicContact CB-CD1 3.79Å; I27-L64 HydrophobicContact CD1-CB 4.04Å; I27-L64 HydrophobicContact CG1-CB 3.65Å; I27-L64 HydrophobicContact CG1-CD1 4.29Å; L30-L64 HydrophobicContact CD1-CD1 3.46Å; L30-L64 VanDerWaalsContact CD1-CD1 3.46Å; Q60-L64 HydrophobicContact CG-CD1 4.33Å; Q60-L64 WeakPolarHBondContact O-CB 3.37Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 2.93Å; G61-L64 PolarHBondContact O-N 3.39Å; N62-L64 PolarHBondContact O-N 3.45Å; L64-D67 PolarHBondContact O-N 2.84Å; L64-T68 VanDerWaalsContact O-CB 3.28Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 PolarHBondContact O-N 2.98Å; L64-T68 PolarHBondContact O-OG1 3.26Å |
| 65 | A | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I27 G61 N62 Q63 D67 T68 D69 F98 L102 I189 | I27-A65 HydrophobicContact CD1-CB 4.46Å; G61-A65 PolarHBondContact O-N 2.88Å; N62-A65 WeakPolarHBondContact O-CB 3.42Å; N62-A65 PolarHBondContact O-N 3Å; Q63-A65 VanDerWaalsContact C-N 3.3Å; Q63-A65 PolarHBondContact O-N 3.48Å; A65-D67 PolarHBondContact O-N 3.22Å; A65-T68 PolarHBondContact O-N 3.47Å; A65-D69 PolarHBondContact O-N 3.09Å; A65-F98 WeakPolarHBondContact O-CZ 3.42Å; A65-L102 HydrophobicContact CB-CD2 3.62Å; A65-I189 HydrophobicContact CB-CD1 3.8Å |
| 66 | K | 97.3 | Very high | 93.7 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 178.4 | -70.3 | 178.9 | -178 | -178.2 | 0 | 113.1 | N62 Q63 D69 K70 D185 I189 | N62-K66 WeakPolarHBondContact O-CG 3.38Å; N62-K66 PolarHBondContact O-N 2.71Å; N62-K66 WeakPolarHBondContact OD1-CE 3.47Å; Q63-K66 PolarHBondContact O-N 3.08Å; K66-D69 PolarHBondContact O-N 2.83Å; K66-K70 WeakPolarHBondContact O-CG 3.41Å; K66-K70 PolarHBondContact O-N 2.7Å; K66-K70 VanDerWaalsContact O-N 3.13Å; K66-D185 WeakPolarHBondContact CE-OD2 3.43Å; K66-D185 IonicContact NZ-OD1 2.74Å; K66-D185 PolarHBondContact NZ-OD1 2.89Å; K66-D185 VanDerWaalsContact NZ-OD1 3.17Å; K66-D185 IonicContact NZ-OD2 2.7Å; K66-D185 PolarHBondContact NZ-OD2 2.9Å; K66-I189 HydrophobicContact CG-CD1 4.24Å |
| 67 | D | 95.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.8 | -35.9 | 179.2 | -67.8 | -25.2 | 0 | 0 | 0 | 111.7 | Q63 L64 A65 K70 L71 | Q63-D67 PolarHBondContact NE2-OD1 3.32Å; Q63-D67 PolarHBondContact NE2-OD2 2.98Å; Q63-D67 PolarHBondContact O-N 3.47Å; L64-D67 PolarHBondContact O-N 2.84Å; A65-D67 PolarHBondContact O-N 3.22Å; D67-K70 PolarHBondContact O-N 3.24Å; D67-K70 IonicContact OD1-NZ 3.73Å; D67-K70 PolarHBondContact OD1-NZ 2.74Å; D67-L71 VanDerWaalsContact O-CG 3.3Å; D67-L71 WeakPolarHBondContact O-CG 3.24Å; D67-L71 PolarHBondContact O-N 3.1Å |
| 68 | T | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 173.9 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | I20 N23 I24 L64 A65 L71 M72 F98 | I20-T68 HydrophobicContact CG2-CG2 3.91Å; N23-T68 WeakPolarHBondContact CB-OG1 3.47Å; N23-T68 PolarHBondContact ND2-OG1 3.11Å; I24-T68 HydrophobicContact CG1-CG2 4.12Å; L64-T68 VanDerWaalsContact O-CB 3.28Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 PolarHBondContact O-N 2.98Å; L64-T68 PolarHBondContact O-OG1 3.26Å; A65-T68 PolarHBondContact O-N 3.47Å; T68-L71 PolarHBondContact O-N 3.38Å; T68-M72 WeakPolarHBondContact O-CB 3.47Å; T68-M72 WeakPolarHBondContact O-CG 3.44Å; T68-M72 PolarHBondContact O-N 3.37Å; T68-F98 HydrophobicContact CG2-CD1 4.09Å; T68-F98 HydrophobicContact CG2-CD2 3.78Å; T68-F98 HydrophobicContact CG2-CE1 4.01Å; T68-F98 HydrophobicContact CG2-CE2 3.68Å; T68-F98 HydrophobicContact CG2-CG 4.01Å; T68-F98 HydrophobicContact CG2-CZ 3.8Å |
| 69 | D | 96.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 173.6 | 174.1 | 65.5 | 0 | 0 | 0 | 112.1 | A65 K66 L71 M72 K73 F98 I189 | A65-D69 PolarHBondContact O-N 3.09Å; K66-D69 PolarHBondContact O-N 2.83Å; D69-L71 PolarHBondContact O-N 3.09Å; D69-M72 WeakPolarHBondContact O-CB 3.43Å; D69-M72 PolarHBondContact O-N 2.8Å; D69-K73 WeakPolarHBondContact O-CG 3.22Å; D69-K73 PolarHBondContact O-N 3.31Å; D69-K73 WeakPolarHBondContact OD1-CE 3.41Å; D69-K73 IonicContact OD1-NZ 3.17Å; D69-K73 VanDerWaalsContact OD2-CE 3.26Å; D69-K73 WeakPolarHBondContact OD2-CE 3.43Å; D69-K73 IonicContact OD2-NZ 2.7Å; D69-K73 PolarHBondContact OD2-NZ 2.67Å; D69-F98 HydrophobicContact CB-CE1 4.4Å; D69-I189 HydrophobicContact CB-CD1 4.37Å; D69-I189 HydrophobicContact CB-CG1 4.05Å; D69-I189 HydrophobicContact CB-CG2 3.85Å |
| 70 | K | 95.3 | Very high | 91.2 | Very high | 119 Ų | 119 | 50.2 Ų | 50.2 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 175.2 | -68.9 | 169.7 | -167.3 | 161.7 | 0 | 111.9 | K66 D67 M72 K73 V74 | K66-K70 WeakPolarHBondContact O-CG 3.41Å; K66-K70 PolarHBondContact O-N 2.7Å; K66-K70 VanDerWaalsContact O-N 3.13Å; D67-K70 PolarHBondContact O-N 3.24Å; D67-K70 IonicContact OD1-NZ 3.73Å; D67-K70 PolarHBondContact OD1-NZ 2.74Å; K70-M72 VanDerWaalsContact C-N 3.32Å; K70-M72 PolarHBondContact O-N 3.04Å; K70-K73 PolarHBondContact O-N 2.78Å; K70-V74 WeakPolarHBondContact O-CG2 3.41Å; K70-V74 PolarHBondContact O-N 2.7Å |
| 71 | L | 93.9 | Very high | 90.1 | Very high | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.5 | -68 | 173.5 | 0 | 0 | 0 | 111.8 | L16 N19 I20 D67 T68 D69 V74 F75 | L16-L71 HydrophobicContact CD2-CD2 3.74Å; N19-L71 HydrophobicContact CB-CD1 3.93Å; I20-L71 HydrophobicContact CD1-CB 4.05Å; I20-L71 HydrophobicContact CG1-CB 3.53Å; I20-L71 HydrophobicContact CG1-CD1 4.22Å; D67-L71 VanDerWaalsContact O-CG 3.3Å; D67-L71 WeakPolarHBondContact O-CG 3.24Å; D67-L71 PolarHBondContact O-N 3.1Å; T68-L71 PolarHBondContact O-N 3.38Å; D69-L71 PolarHBondContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 3.08Å; L71-F75 WeakPolarHBondContact O-CB 3.31Å; L71-F75 PolarHBondContact O-N 3.26Å |
| 72 | M | 93 | Very high | 89 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.7 | -80.6 | -59.4 | -52.7 | 0 | 0 | 112 | I20 T68 D69 K70 F75 T76 L94 L95 F98 M196 | I20-M72 HydrophobicContact CD1-CG 4.36Å; I20-M72 HydrophobicContact CD1-SD 3.77Å; I20-M72 HydrophobicContact CG1-SD 4.38Å; I20-M72 HydrophobicContact CG2-CG 4.16Å; I20-M72 HydrophobicContact CG2-SD 3.7Å; T68-M72 WeakPolarHBondContact O-CB 3.47Å; T68-M72 WeakPolarHBondContact O-CG 3.44Å; T68-M72 PolarHBondContact O-N 3.37Å; D69-M72 WeakPolarHBondContact O-CB 3.43Å; D69-M72 PolarHBondContact O-N 2.8Å; K70-M72 VanDerWaalsContact C-N 3.32Å; K70-M72 PolarHBondContact O-N 3.04Å; M72-F75 PolarHBondContact O-N 3.15Å; M72-T76 HydrophobicContact CE-CG2 4.34Å; M72-T76 WeakPolarHBondContact O-CB 3.47Å; M72-T76 WeakPolarHBondContact O-CG2 3.31Å; M72-T76 PolarHBondContact O-N 3.2Å; M72-T76 PolarHBondContact O-OG1 3.45Å; M72-L94 HydrophobicContact CE-CB 4.31Å; M72-L94 HydrophobicContact SD-CB 3.82Å; M72-L94 HydrophobicContact SD-CD1 4.33Å; M72-L95 HydrophobicContact CE-CD2 3.63Å; M72-L95 HydrophobicContact CE-CG 3.77Å; M72-F98 HydrophobicContact CG-CD1 4.27Å; M72-M196 HydrophobicContact CB-CE 4.16Å; M72-M196 HydrophobicContact CB-SD 4.06Å; M72-M196 HydrophobicContact CE-SD 4.28Å |
| 73 | K | 92.3 | Very high | 88.1 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.3 | -73.3 | 169.8 | 177.8 | 162.9 | 0 | 111.8 | D69 K70 T76 S77 D192 M196 | D69-K73 WeakPolarHBondContact O-CG 3.22Å; D69-K73 PolarHBondContact O-N 3.31Å; D69-K73 WeakPolarHBondContact OD1-CE 3.41Å; D69-K73 IonicContact OD1-NZ 3.17Å; D69-K73 VanDerWaalsContact OD2-CE 3.26Å; D69-K73 WeakPolarHBondContact OD2-CE 3.43Å; D69-K73 IonicContact OD2-NZ 2.7Å; D69-K73 PolarHBondContact OD2-NZ 2.67Å; K70-K73 PolarHBondContact O-N 2.78Å; K73-T76 WeakPolarHBondContact CA-OG1 3.44Å; K73-T76 PolarHBondContact O-N 3.42Å; K73-T76 PolarHBondContact O-OG1 3.08Å; K73-T76 VanDerWaalsContact O-OG1 3.06Å; K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 3.1Å; K73-S77 PolarHBondContact O-OG 3.38Å; K73-D192 VanDerWaalsContact CE-CG 3.42Å; K73-D192 WeakPolarHBondContact CE-OD2 3.29Å; K73-D192 IonicContact NZ-OD1 3.59Å; K73-D192 IonicContact NZ-OD2 2.72Å; K73-D192 PolarHBondContact NZ-OD2 3.11Å; K73-M196 HydrophobicContact CG-CE 4.33Å |
| 74 | V | 90.9 | Very high | 87.3 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L16 K70 L71 T76 S77 L78 | L16-V74 HydrophobicContact CD1-CG1 3.9Å; L16-V74 HydrophobicContact CD2-CG1 4.2Å; K70-V74 WeakPolarHBondContact O-CG2 3.41Å; K70-V74 PolarHBondContact O-N 2.7Å; L71-V74 PolarHBondContact O-N 3.08Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.04Å; V74-S77 PolarHBondContact O-N 3Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-S77 PolarHBondContact O-OG 3.43Å; V74-L78 PolarHBondContact O-N 3.05Å |
| 75 | F | 89.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | -179.1 | -178.7 | -106.1 | 0 | 0 | 0 | 113 | P13 L16 V17 I20 L71 M72 L78 Q90 K91 L94 | P13-F75 HydrophobicContact CB-CE2 4.35Å; L16-F75 HydrophobicContact CB-CD2 4.09Å; L16-F75 HydrophobicContact CD1-CB 4.3Å; L16-F75 HydrophobicContact CD1-CD2 4.31Å; V17-F75 HydrophobicContact CG2-CD2 4.12Å; V17-F75 HydrophobicContact CG2-CE2 3.42Å; V17-F75 VanDerWaalsContact CG2-CE2 3.42Å; V17-F75 HydrophobicContact CG2-CZ 3.7Å; I20-F75 HydrophobicContact CD1-CB 4.02Å; I20-F75 HydrophobicContact CD1-CG 4.38Å; L71-F75 WeakPolarHBondContact O-CB 3.31Å; L71-F75 PolarHBondContact O-N 3.26Å; M72-F75 PolarHBondContact O-N 3.15Å; F75-L78 HydrophobicContact CD2-CD1 4.2Å; F75-L78 PolarHBondContact O-N 3.35Å; F75-Q90 HydrophobicContact CZ-CB 4.02Å; F75-K91 HydrophobicContact CE1-CB 3.93Å; F75-L94 HydrophobicContact CE1-CD1 4.32Å |
| 76 | T | 86.4 | Confident | 85.9 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 29% | 0.288 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.5 | -26.3 | 178.6 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | M72 K73 V74 L78 K91 M196 | M72-T76 HydrophobicContact CE-CG2 4.34Å; M72-T76 WeakPolarHBondContact O-CB 3.47Å; M72-T76 WeakPolarHBondContact O-CG2 3.31Å; M72-T76 PolarHBondContact O-N 3.2Å; M72-T76 PolarHBondContact O-OG1 3.45Å; K73-T76 WeakPolarHBondContact CA-OG1 3.44Å; K73-T76 PolarHBondContact O-N 3.42Å; K73-T76 PolarHBondContact O-OG1 3.08Å; K73-T76 VanDerWaalsContact O-OG1 3.06Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.04Å; T76-L78 VanDerWaalsContact C-N 3.31Å; T76-K91 HydrophobicContact CG2-CD 3.88Å; T76-K91 HydrophobicContact CG2-CG 4.07Å; T76-M196 HydrophobicContact CG2-CG 4.23Å; T76-M196 HydrophobicContact CG2-SD 3.8Å |
| 77 | S | 86.8 | Confident | 85.2 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -79 | -8.8 | 175.9 | 73.6 | 0 | 0 | 0 | 0 | 114.6 | K73 V74 | K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 3.1Å; K73-S77 PolarHBondContact O-OG 3.38Å; V74-S77 PolarHBondContact O-N 3Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-S77 PolarHBondContact O-OG 3.43Å |
| 78 | L | 83.6 | Confident | 84.6 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -64.4 | 141.1 | -176.6 | -72.3 | 177.1 | 0 | 0 | 0 | 112.2 | P13 L16 V74 F75 T76 | P13-L78 HydrophobicContact CB-CD1 4Å; P13-L78 HydrophobicContact CG-CD1 3.91Å; L16-L78 HydrophobicContact CD1-CD1 3.75Å; L16-L78 HydrophobicContact CD1-CG 4.46Å; V74-L78 PolarHBondContact O-N 3.05Å; F75-L78 HydrophobicContact CD2-CD1 4.2Å; F75-L78 PolarHBondContact O-N 3.35Å; T76-L78 VanDerWaalsContact C-N 3.31Å |
| 79 | P | 74.9 | Confident | 84 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | trans | -63 | 148.8 | -177 | 23.4 | -31.5 | 0 | 0 | 0 | 112.5 | G81 | P79-G81 PolarHBondContact O-N 2.97Š| ||
| 80 | I | 69.1 | Low | 83.6 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 66% | 0.656 | 42% | 0.415 | S | S | * | . | trans | -73.5 | 94.3 | 179.9 | -59.3 | 168.3 | 0 | 0 | 0 | 109.3 | Q84 | I80-Q84 HydrophobicContact CG2-CB 3.95Å; I80-Q84 HydrophobicContact CG2-CG 3.72Å | ||
| 81 | G | 72.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 75.5 Ų | 75.5 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | trans | -88.6 | -177.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P79 D83 Q84 R87 | P79-G81 PolarHBondContact O-N 2.97Å; G81-D83 PolarHBondContact O-N 3.45Å; G81-D83 VanDerWaalsContact O-N 3.11Å; G81-Q84 PolarHBondContact O-N 3.13Å; G81-R87 PolarHBondContact O-NH2 3.29Å | ||
| 82 | P | 70.8 | Confident | 82.8 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 86% | 0.857 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.3 | -173.5 | 21.9 | -33 | 0 | 0 | 0 | 114 | Q84 | P82-Q84 PolarHBondContact O-N 2.98Å; P82-Q84 VanDerWaalsContact O-N 3.08Å |
| 83 | D | 77.8 | Confident | 82.5 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 31.6 | 179.7 | -52.7 | -49.8 | 0 | 0 | 0 | 114.6 | G81 R85 Q86 R87 | G81-D83 PolarHBondContact O-N 3.45Å; G81-D83 VanDerWaalsContact O-N 3.11Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 PolarHBondContact O-N 3.1Å; D83-Q86 HydrophobicContact CB-CB 4.45Å; D83-Q86 PolarHBondContact O-N 3.49Å; D83-Q86 VanDerWaalsContact O-N 3.14Å; D83-R87 PolarHBondContact O-N 3.12Å |
| 84 | Q | 78.9 | Confident | 82.4 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.3 | -40.4 | -174.5 | -173.8 | 179.1 | 16.2 | 0 | 0 | 113 | I80 G81 P82 R87 K88 | I80-Q84 HydrophobicContact CG2-CB 3.95Å; I80-Q84 HydrophobicContact CG2-CG 3.72Å; G81-Q84 PolarHBondContact O-N 3.13Å; P82-Q84 PolarHBondContact O-N 2.98Å; P82-Q84 VanDerWaalsContact O-N 3.08Å; Q84-R87 VanDerWaalsContact CA-NH2 3.34Å; Q84-R87 PolarHBondContact O-N 2.94Å; Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 2.95Å |
| 85 | R | 79.7 | Confident | 82.4 | Confident | 209 Ų | 209 | 77.5 Ų | 77.5 | 79% | 0.789 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 179.5 | -171 | 178.4 | -177 | 178.3 | 1.6 | 111.9 | D83 K88 L89 | D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 PolarHBondContact O-N 3.1Å; R85-K88 PolarHBondContact O-N 2.9Å; R85-L89 WeakPolarHBondContact O-CG 3.12Å; R85-L89 PolarHBondContact O-N 3.31Å; R85-L89 VanDerWaalsContact O-N 3.16Å |
| 86 | Q | 83.6 | Confident | 82.3 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.7 | -179.2 | 176 | -24.5 | 0 | 0 | 111.1 | D83 K88 L89 Q90 | D83-Q86 HydrophobicContact CB-CB 4.45Å; D83-Q86 PolarHBondContact O-N 3.49Å; D83-Q86 VanDerWaalsContact O-N 3.14Å; Q86-K88 VanDerWaalsContact C-N 3.31Å; Q86-K88 PolarHBondContact O-N 3.38Å; Q86-L89 PolarHBondContact O-N 3.49Å; Q86-Q90 WeakPolarHBondContact O-CG 3.44Å; Q86-Q90 PolarHBondContact O-N 3.27Å |
| 87 | R | 82.5 | Confident | 82.4 | Confident | 41 Ų | 41 | 80 Ų | 80 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.8 | -71.6 | -164.7 | -58.7 | -74.8 | -12.7 | 112.4 | G81 D83 Q84 Q90 K91 | G81-R87 PolarHBondContact O-NH2 3.29Å; D83-R87 PolarHBondContact O-N 3.12Å; Q84-R87 VanDerWaalsContact CA-NH2 3.34Å; Q84-R87 PolarHBondContact O-N 2.94Å; R87-Q90 PolarHBondContact O-N 3.36Å; R87-K91 WeakPolarHBondContact O-CB 3.44Å; R87-K91 PolarHBondContact O-N 2.72Å |
| 88 | K | 82.6 | Confident | 82.8 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 174.7 | -172.1 | -179.3 | -178.3 | -177.1 | 0 | 111.5 | Q84 R85 Q86 Q90 K91 D92 | Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 2.95Å; R85-K88 PolarHBondContact O-N 2.9Å; Q86-K88 VanDerWaalsContact C-N 3.31Å; Q86-K88 PolarHBondContact O-N 3.38Å; K88-Q90 VanDerWaalsContact C-N 3.3Å; K88-Q90 PolarHBondContact O-N 2.92Å; K88-K91 WeakPolarHBondContact O-CB 3.45Å; K88-K91 PolarHBondContact O-N 3.47Å; K88-K91 VanDerWaalsContact O-N 3.13Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.08Å |
| 89 | L | 84.9 | Confident | 83.1 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 59% | 0.592 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 177.3 | -68.4 | 170.9 | 0 | 0 | 0 | 112.4 | R85 Q86 R93 | R85-L89 WeakPolarHBondContact O-CG 3.12Å; R85-L89 PolarHBondContact O-N 3.31Å; R85-L89 VanDerWaalsContact O-N 3.16Å; Q86-L89 PolarHBondContact O-N 3.49Å; L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 PolarHBondContact O-N 3.41Å; L89-R93 VanDerWaalsContact O-N 3.12Å |
| 90 | Q | 87.4 | Confident | 83.8 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.4 | -73.1 | 174 | -26.7 | 0 | 0 | 111.5 | V17 F75 Q86 R87 K88 R93 L94 | V17-Q90 HydrophobicContact CG2-CB 4.33Å; F75-Q90 HydrophobicContact CZ-CB 4.02Å; Q86-Q90 WeakPolarHBondContact O-CG 3.44Å; Q86-Q90 PolarHBondContact O-N 3.27Å; R87-Q90 PolarHBondContact O-N 3.36Å; K88-Q90 VanDerWaalsContact C-N 3.3Å; K88-Q90 PolarHBondContact O-N 2.92Å; Q90-R93 PolarHBondContact O-N 2.94Å; Q90-L94 WeakPolarHBondContact O-CB 3.44Å; Q90-L94 WeakPolarHBondContact O-CG 3.4Å; Q90-L94 PolarHBondContact O-N 2.91Å |
| 91 | K | 86.7 | Confident | 84.8 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 10% | 0.1 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.7 | -52.7 | 175.3 | 178.6 | -175.8 | 171.2 | 177.7 | 0 | 110.6 | F75 T76 R87 K88 R93 L94 L95 M196 E199 | F75-K91 HydrophobicContact CE1-CB 3.93Å; T76-K91 HydrophobicContact CG2-CD 3.88Å; T76-K91 HydrophobicContact CG2-CG 4.07Å; R87-K91 WeakPolarHBondContact O-CB 3.44Å; R87-K91 PolarHBondContact O-N 2.72Å; K88-K91 WeakPolarHBondContact O-CB 3.45Å; K88-K91 PolarHBondContact O-N 3.47Å; K88-K91 VanDerWaalsContact O-N 3.13Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 PolarHBondContact O-N 3.23Å; K91-L94 PolarHBondContact O-N 2.88Å; K91-L95 HydrophobicContact CD-CD1 4.38Å; K91-L95 HydrophobicContact CG-CD1 3.75Å; K91-L95 HydrophobicContact CG-CG 4.36Å; K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 WeakPolarHBondContact O-CG 3.3Å; K91-L95 PolarHBondContact O-N 3.22Å; K91-M196 WeakPolarHBondContact CE-O 3.42Å; K91-M196 PolarHBondContact NZ-O 3.13Å; K91-E199 IonicContact NZ-OE2 3.45Å |
| 92 | D | 85.1 | Confident | 85.8 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | -175.5 | -61.3 | -20 | 0 | 0 | 0 | 111.3 | K88 N96 Q200 M203 | K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.08Å; D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.39Å; D92-N96 VanDerWaalsContact O-N 3.08Å; D92-N96 PolarHBondContact O-ND2 3.02Å; D92-Q200 PolarHBondContact OD1-NE2 2.95Å; D92-Q200 PolarHBondContact OD1-OE1 3.38Å; D92-Q200 PolarHBondContact OD2-OE1 3.45Å; D92-M203 HydrophobicContact CB-CE 4.02Å |
| 93 | R | 87.4 | Confident | 86.7 | Confident | 172 Ų | 172 | 60.2 Ų | 60.2 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61 | -50.5 | 175.1 | -178.9 | -179.1 | 174.4 | 157.1 | 2.7 | 111.9 | L89 Q90 K91 L95 N96 D97 | L89-R93 WeakPolarHBondContact O-CB 3.26Å; L89-R93 PolarHBondContact O-N 3.41Å; L89-R93 VanDerWaalsContact O-N 3.12Å; Q90-R93 PolarHBondContact O-N 2.94Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 PolarHBondContact O-N 3.23Å; R93-L95 VanDerWaalsContact C-N 3.32Å; R93-L95 PolarHBondContact O-N 3.48Å; R93-N96 PolarHBondContact O-N 2.91Å; R93-D97 IonicContact NE-OD2 3.2Å; R93-D97 PolarHBondContact NE-OD2 3.41Å; R93-D97 WeakPolarHBondContact O-CB 3.48Å; R93-D97 VanDerWaalsContact O-CG 3.29Å; R93-D97 PolarHBondContact O-N 2.9Å |
| 94 | L | 90.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | -177.7 | -69 | 173.2 | 0 | 0 | 0 | 111.9 | V17 I20 S21 I24 M72 F75 Q90 K91 F98 | V17-L94 HydrophobicContact CB-CD1 4.37Å; V17-L94 HydrophobicContact CG1-CD1 4.27Å; V17-L94 HydrophobicContact CG2-CD1 4.03Å; I20-L94 HydrophobicContact CB-CD1 4.39Å; I20-L94 HydrophobicContact CB-CD2 4.36Å; I20-L94 HydrophobicContact CD1-CD1 4.15Å; I20-L94 HydrophobicContact CG2-CB 4.28Å; I20-L94 HydrophobicContact CG2-CD1 4.13Å; I20-L94 HydrophobicContact CG2-CD2 3.83Å; I20-L94 HydrophobicContact CG2-CG 4.3Å; S21-L94 WeakPolarHBondContact OG-CD2 3.38Å; I24-L94 HydrophobicContact CD1-CD2 4.29Å; M72-L94 HydrophobicContact CE-CB 4.31Å; M72-L94 HydrophobicContact SD-CB 3.82Å; M72-L94 HydrophobicContact SD-CD1 4.33Å; F75-L94 HydrophobicContact CE1-CD1 4.32Å; Q90-L94 WeakPolarHBondContact O-CB 3.44Å; Q90-L94 WeakPolarHBondContact O-CG 3.4Å; Q90-L94 PolarHBondContact O-N 2.91Å; K91-L94 PolarHBondContact O-N 2.88Å; L94-F98 WeakPolarHBondContact O-CB 3.37Å; L94-F98 PolarHBondContact O-N 3.46Å |
| 95 | L | 90.7 | Very high | 88 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.6 | -76 | 170.4 | 0 | 0 | 0 | 111.5 | M72 K91 R93 S99 L193 M196 V197 | M72-L95 HydrophobicContact CE-CD2 3.63Å; M72-L95 HydrophobicContact CE-CG 3.77Å; K91-L95 HydrophobicContact CD-CD1 4.38Å; K91-L95 HydrophobicContact CG-CD1 3.75Å; K91-L95 HydrophobicContact CG-CG 4.36Å; K91-L95 WeakPolarHBondContact O-CB 3.31Å; K91-L95 WeakPolarHBondContact O-CG 3.3Å; K91-L95 PolarHBondContact O-N 3.22Å; R93-L95 VanDerWaalsContact C-N 3.32Å; R93-L95 PolarHBondContact O-N 3.48Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.45Å; L95-L193 HydrophobicContact CD2-CD2 3.49Å; L95-L193 VanDerWaalsContact CD2-CD2 3.49Å; L95-M196 HydrophobicContact CD1-CB 4.26Å; L95-M196 HydrophobicContact CD2-CB 3.89Å; L95-M196 HydrophobicContact CD2-SD 4.09Å; L95-V197 HydrophobicContact CD1-CG2 3.94Å |
| 96 | N | 87.4 | Confident | 88.7 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -49 | 177.4 | -73.3 | -27 | 0 | 0 | 0 | 112.2 | D92 R93 F98 S99 A100 M203 | D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 3.39Å; D92-N96 VanDerWaalsContact O-N 3.08Å; D92-N96 PolarHBondContact O-ND2 3.02Å; R93-N96 PolarHBondContact O-N 2.91Å; N96-F98 VanDerWaalsContact C-N 3.31Å; N96-F98 PolarHBondContact O-N 3.17Å; N96-S99 PolarHBondContact O-N 2.97Å; N96-A100 WeakPolarHBondContact O-CB 3.39Å; N96-A100 PolarHBondContact O-N 3.4Å; N96-M203 WeakPolarHBondContact ND2-CE 3.49Å; N96-M203 PolarHBondContact ND2-SD 3.23Å; N96-M203 WeakPolarHBondContact OD1-CE 3.38Å; N96-M203 PolarHBondContact OD1-SD 3.42Å |
| 97 | D | 88 | Confident | 89.1 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | -178.9 | -71 | -12.7 | 0 | 0 | 0 | 110.5 | I24 R93 A101 | I24-D97 HydrophobicContact CD1-CB 4.15Å; I24-D97 HydrophobicContact CG2-CB 4.2Å; R93-D97 IonicContact NE-OD2 3.2Å; R93-D97 PolarHBondContact NE-OD2 3.41Å; R93-D97 WeakPolarHBondContact O-CB 3.48Å; R93-D97 VanDerWaalsContact O-CG 3.29Å; R93-D97 PolarHBondContact O-N 2.9Å; D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 3.18Å; D97-A101 VanDerWaalsContact O-N 3.07Å |
| 98 | F | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.1 | -43.7 | 178.4 | -173.3 | -147.3 | 0 | 0 | 0 | 112.3 | I24 I27 A65 T68 D69 M72 L94 N96 A100 A101 L102 I189 L193 | I24-F98 HydrophobicContact CD1-CB 3.76Å; I24-F98 HydrophobicContact CG1-CB 3.99Å; I24-F98 HydrophobicContact CG1-CD2 4.06Å; I24-F98 HydrophobicContact CG1-CG 4.33Å; I27-F98 HydrophobicContact CD1-CD2 4.44Å; I27-F98 HydrophobicContact CD1-CE2 3.95Å; A65-F98 WeakPolarHBondContact O-CZ 3.42Å; T68-F98 HydrophobicContact CG2-CD1 4.09Å; T68-F98 HydrophobicContact CG2-CD2 3.78Å; T68-F98 HydrophobicContact CG2-CE1 4.01Å; T68-F98 HydrophobicContact CG2-CE2 3.68Å; T68-F98 HydrophobicContact CG2-CG 4.01Å; T68-F98 HydrophobicContact CG2-CZ 3.8Å; D69-F98 HydrophobicContact CB-CE1 4.4Å; M72-F98 HydrophobicContact CG-CD1 4.27Å; L94-F98 WeakPolarHBondContact O-CB 3.37Å; L94-F98 PolarHBondContact O-N 3.46Å; N96-F98 VanDerWaalsContact C-N 3.31Å; N96-F98 PolarHBondContact O-N 3.17Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.44Å; F98-A101 PolarHBondContact O-N 3.45Å; F98-L102 HydrophobicContact CD1-CD1 4.32Å; F98-L102 HydrophobicContact CD2-CD1 4.18Å; F98-L102 HydrophobicContact CD2-CD2 4.37Å; F98-L102 HydrophobicContact CD2-CG 3.87Å; F98-L102 HydrophobicContact CE1-CD1 3.94Å; F98-L102 HydrophobicContact CE2-CD1 3.79Å; F98-L102 HydrophobicContact CE2-CD2 3.63Å; F98-L102 HydrophobicContact CE2-CG 3.56Å; F98-L102 HydrophobicContact CG-CD1 4.43Å; F98-L102 HydrophobicContact CZ-CD1 3.65Å; F98-L102 HydrophobicContact CZ-CD2 4.01Å; F98-L102 HydrophobicContact CZ-CG 3.96Å; F98-L102 WeakPolarHBondContact O-CG 3.41Å; F98-L102 PolarHBondContact O-N 2.98Å; F98-I189 HydrophobicContact CE1-CG2 3.75Å; F98-I189 HydrophobicContact CZ-CG2 3.85Å; F98-L193 HydrophobicContact CD1-CD1 3.87Å; F98-L193 HydrophobicContact CD1-CD2 3.58Å; F98-L193 HydrophobicContact CD1-CG 4.28Å; F98-L193 HydrophobicContact CE1-CD1 4.16Å; F98-L193 HydrophobicContact CE1-CD2 3.97Å; F98-L193 HydrophobicContact CE1-CG 4.42Å |
| 99 | S | 91.6 | Very high | 90 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 175 | 179 | 0 | 0 | 0 | 0 | 111.6 | L95 N96 L102 N103 | L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.45Å; N96-S99 PolarHBondContact O-N 2.97Å; S99-L102 PolarHBondContact O-N 3.32Å; S99-N103 WeakPolarHBondContact O-CB 3.48Å; S99-N103 PolarHBondContact O-N 2.9Å; S99-N103 PolarHBondContact O-ND2 2.87Å |
| 100 | A | 87.7 | Confident | 90.5 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N96 F98 N103 S104 N210 | N96-A100 WeakPolarHBondContact O-CB 3.39Å; N96-A100 PolarHBondContact O-N 3.4Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.44Å; A100-N103 PolarHBondContact O-N 3.02Å; A100-S104 PolarHBondContact O-N 2.87Å; A100-S104 VanDerWaalsContact O-N 3.14Å; A100-N210 HydrophobicContact CB-CB 4.49Å |
| 101 | A | 91.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I24 I27 D97 F98 S104 L105 | I24-A101 HydrophobicContact CG2-CB 3.99Å; I27-A101 HydrophobicContact CB-CB 4.47Å; I27-A101 HydrophobicContact CG2-CB 3.99Å; D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 3.18Å; D97-A101 VanDerWaalsContact O-N 3.07Å; F98-A101 PolarHBondContact O-N 3.45Å; A101-S104 PolarHBondContact O-N 3.2Å; A101-L105 PolarHBondContact O-N 3.43Å |
| 102 | L | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.8 | -72.1 | -179.3 | 0 | 0 | 0 | 112.5 | A65 F98 S99 S104 L105 Q106 I186 I189 F190 L193 | A65-L102 HydrophobicContact CB-CD2 3.62Å; F98-L102 HydrophobicContact CD1-CD1 4.32Å; F98-L102 HydrophobicContact CD2-CD1 4.18Å; F98-L102 HydrophobicContact CD2-CD2 4.37Å; F98-L102 HydrophobicContact CD2-CG 3.87Å; F98-L102 HydrophobicContact CE1-CD1 3.94Å; F98-L102 HydrophobicContact CE2-CD1 3.79Å; F98-L102 HydrophobicContact CE2-CD2 3.63Å; F98-L102 HydrophobicContact CE2-CG 3.56Å; F98-L102 HydrophobicContact CG-CD1 4.43Å; F98-L102 HydrophobicContact CZ-CD1 3.65Å; F98-L102 HydrophobicContact CZ-CD2 4.01Å; F98-L102 HydrophobicContact CZ-CG 3.96Å; F98-L102 WeakPolarHBondContact O-CG 3.41Å; F98-L102 PolarHBondContact O-N 2.98Å; S99-L102 PolarHBondContact O-N 3.32Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 2.69Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-Q106 VanDerWaalsContact O-CB 3.3Å; L102-Q106 WeakPolarHBondContact O-CB 3.07Å; L102-Q106 PolarHBondContact O-N 3.27Å; L102-I186 HydrophobicContact CB-CG2 4.27Å; L102-I186 HydrophobicContact CD2-CG2 4.3Å; L102-I189 HydrophobicContact CD1-CB 4.29Å; L102-I189 HydrophobicContact CD1-CG2 3.55Å; L102-F190 HydrophobicContact CB-CE1 4.12Å; L102-F190 HydrophobicContact CB-CE2 3.93Å; L102-F190 HydrophobicContact CB-CZ 3.52Å; L102-F190 HydrophobicContact CD1-CE1 4.48Å; L102-F190 HydrophobicContact CD1-CZ 4.49Å; L102-L193 HydrophobicContact CD1-CD1 3.68Å |
| 103 | N | 90 | Very high | 91.3 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60 | -44.1 | 177.3 | -87.4 | -58.1 | 0 | 0 | 0 | 111 | S99 A100 K107 F190 | S99-N103 WeakPolarHBondContact O-CB 3.48Å; S99-N103 PolarHBondContact O-N 2.9Å; S99-N103 PolarHBondContact O-ND2 2.87Å; A100-N103 PolarHBondContact O-N 3.02Å; N103-K107 VanDerWaalsContact O-CB 3.29Å; N103-K107 WeakPolarHBondContact O-CB 3.28Å; N103-K107 PolarHBondContact O-N 3.05Å; N103-F190 HydrophobicContact CB-CZ 4.32Å; N103-F190 WeakPolarHBondContact OD1-CZ 3.4Å |
| 104 | S | 90.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 33 Ų | 33 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 177.1 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | T31 A100 A101 L102 K107 T108 | T31-S104 WeakPolarHBondContact CG2-OG 3.05Å; A100-S104 PolarHBondContact O-N 2.87Å; A100-S104 VanDerWaalsContact O-N 3.14Å; A101-S104 PolarHBondContact O-N 3.2Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 2.69Å; S104-K107 PolarHBondContact O-N 3.29Å; S104-T108 WeakPolarHBondContact O-CB 3.37Å; S104-T108 PolarHBondContact O-N 2.99Å; S104-T108 PolarHBondContact O-OG1 3.41Å |
| 105 | L | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 177.1 | 179.4 | 61 | 0 | 0 | 0 | 111.2 | I27 L34 A101 L102 K107 T108 Q109 I186 | I27-L105 HydrophobicContact CG2-CB 4.35Å; I27-L105 HydrophobicContact CG2-CD2 4.16Å; L34-L105 HydrophobicContact CD1-CD1 3.9Å; A101-L105 PolarHBondContact O-N 3.43Å; L102-L105 PolarHBondContact O-N 2.95Å; L105-K107 PolarHBondContact O-N 3.13Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 3.21Å; L105-T108 VanDerWaalsContact O-N 3.16Å; L105-Q109 HydrophobicContact CD1-CG 4.42Å; L105-Q109 WeakPolarHBondContact O-CG 3.37Å; L105-Q109 PolarHBondContact O-N 3.31Å; L105-I186 HydrophobicContact CB-CD1 4.44Å; L105-I186 HydrophobicContact CD2-CD1 3.72Å; L105-I186 HydrophobicContact CG-CD1 3.86Å |
| 106 | Q | 93.9 | Very high | 91.5 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | -179.9 | -167.3 | -175.2 | 26.6 | 0 | 0 | 111.7 | L102 T108 Q109 R110 I183 I186 N187 | L102-Q106 VanDerWaalsContact O-CB 3.3Å; L102-Q106 WeakPolarHBondContact O-CB 3.07Å; L102-Q106 PolarHBondContact O-N 3.27Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.38Å; Q106-Q109 PolarHBondContact O-N 2.74Å; Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 3.29Å; Q106-I183 HydrophobicContact CG-CG2 4.29Å; Q106-I186 HydrophobicContact CB-CD1 4.37Å; Q106-I186 HydrophobicContact CB-CG2 4.11Å; Q106-I186 HydrophobicContact CG-CG2 4.32Å; Q106-N187 PolarHBondContact NE2-OD1 3Å |
| 107 | K | 92.4 | Very high | 91.8 | Very high | 118 Ų | 118 | 38.1 Ų | 38.1 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 174.8 | 179.3 | 177 | 177.8 | -179.6 | 0 | 111 | N103 S104 L105 R110 Q111 | N103-K107 VanDerWaalsContact O-CB 3.29Å; N103-K107 WeakPolarHBondContact O-CB 3.28Å; N103-K107 PolarHBondContact O-N 3.05Å; S104-K107 PolarHBondContact O-N 3.29Å; L105-K107 PolarHBondContact O-N 3.13Å; K107-R110 PolarHBondContact O-N 2.92Å; K107-Q111 WeakPolarHBondContact O-CG 3.32Å; K107-Q111 PolarHBondContact O-N 3.35Å |
| 108 | T | 91.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 179.6 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | T31 L34 Q35 V38 S104 L105 Q106 Q111 A112 | T31-T108 WeakPolarHBondContact CG2-OG1 3.49Å; L34-T108 HydrophobicContact CB-CG2 3.82Å; Q35-T108 HydrophobicContact CB-CG2 4.41Å; Q35-T108 HydrophobicContact CG-CG2 3.6Å; Q35-T108 VanDerWaalsContact CG-OG1 3.29Å; Q35-T108 WeakPolarHBondContact CG-OG1 3.23Å; Q35-T108 PolarHBondContact NE2-OG1 2.89Å; V38-T108 HydrophobicContact CG2-CG2 4.29Å; S104-T108 WeakPolarHBondContact O-CB 3.37Å; S104-T108 PolarHBondContact O-N 2.99Å; S104-T108 PolarHBondContact O-OG1 3.41Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 3.21Å; L105-T108 VanDerWaalsContact O-N 3.16Å; Q106-T108 VanDerWaalsContact C-N 3.29Å; Q106-T108 PolarHBondContact O-N 3.38Å; T108-Q111 PolarHBondContact O-N 2.98Å; T108-A112 PolarHBondContact O-N 3.42Å |
| 109 | Q | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.8 | -76.5 | 176.6 | -30.4 | 0 | 0 | 112.5 | L105 Q106 A112 A113 L179 I183 | L105-Q109 HydrophobicContact CD1-CG 4.42Å; L105-Q109 WeakPolarHBondContact O-CG 3.37Å; L105-Q109 PolarHBondContact O-N 3.31Å; Q106-Q109 PolarHBondContact O-N 2.74Å; Q109-A112 WeakPolarHBondContact O-CB 3.4Å; Q109-A112 PolarHBondContact O-N 3.02Å; Q109-A113 PolarHBondContact O-N 3.47Å; Q109-L179 HydrophobicContact CB-CD2 3.85Å; Q109-L179 HydrophobicContact CG-CD2 3.89Å; Q109-I183 HydrophobicContact CB-CD1 4.14Å; Q109-I183 HydrophobicContact CB-CG1 3.88Å |
| 110 | R | 93.8 | Very high | 91.5 | Very high | 123 Ų | 123 | 41.2 Ų | 41.2 | 46% | 0.464 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 174.2 | -74.4 | 179.8 | -175.1 | 170 | 6 | 111.4 | Q106 K107 A112 A113 D114 I183 | Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 3.29Å; K107-R110 PolarHBondContact O-N 2.92Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.28Å; R110-A113 PolarHBondContact O-N 3.38Å; R110-A113 VanDerWaalsContact O-N 3.12Å; R110-D114 VanDerWaalsContact O-CG 3.26Å; R110-D114 PolarHBondContact O-N 2.91Å; R110-I183 HydrophobicContact CG-CD1 3.75Å; R110-I183 HydrophobicContact CG-CG1 4.48Å |
| 111 | Q | 92.3 | Very high | 91.5 | Very high | 87 Ų | 87 | 42.8 Ų | 42.8 | 41% | 0.407 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 175.5 | -72.7 | 177.2 | -26.4 | 0 | 0 | 112.5 | V38 K107 T108 K115 | V38-Q111 HydrophobicContact CG1-CB 4.2Å; K107-Q111 WeakPolarHBondContact O-CG 3.32Å; K107-Q111 PolarHBondContact O-N 3.35Å; T108-Q111 PolarHBondContact O-N 2.98Å; Q111-K115 PolarHBondContact O-N 3.28Å; Q111-K115 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | V38 T108 Q109 R110 D114 K115 E116 L179 | V38-A112 HydrophobicContact CG1-CB 4.4Å; V38-A112 HydrophobicContact CG2-CB 3.61Å; T108-A112 PolarHBondContact O-N 3.42Å; Q109-A112 WeakPolarHBondContact O-CB 3.4Å; Q109-A112 PolarHBondContact O-N 3.02Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.28Å; A112-D114 VanDerWaalsContact C-N 3.33Å; A112-D114 PolarHBondContact O-N 2.91Å; A112-K115 PolarHBondContact O-N 3.44Å; A112-E116 VanDerWaalsContact O-CG 3.29Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 2.88Å; A112-L179 HydrophobicContact CB-CD1 3.76Å; A112-L179 HydrophobicContact CB-CD2 4.32Å |
| 113 | A | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q109 R110 E116 R117 L179 | Q109-A113 PolarHBondContact O-N 3.47Å; R110-A113 PolarHBondContact O-N 3.38Å; R110-A113 VanDerWaalsContact O-N 3.12Å; A113-E116 PolarHBondContact O-N 3.21Å; A113-R117 WeakPolarHBondContact O-CB 3.44Å; A113-R117 VanDerWaalsContact O-CG 3.31Å; A113-R117 WeakPolarHBondContact O-CG 3.44Å; A113-R117 PolarHBondContact O-N 3.38Å; A113-L179 HydrophobicContact CB-CB 4.15Å; A113-L179 HydrophobicContact CB-CD1 3.99Å |
| 114 | D | 92.4 | Very high | 90.5 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 178.7 | -66.6 | -22 | 0 | 0 | 0 | 111.7 | R110 A112 E116 R117 E118 | R110-D114 VanDerWaalsContact O-CG 3.26Å; R110-D114 PolarHBondContact O-N 2.91Å; A112-D114 VanDerWaalsContact C-N 3.33Å; A112-D114 PolarHBondContact O-N 2.91Å; D114-E116 PolarHBondContact O-N 2.85Å; D114-R117 PolarHBondContact O-N 3.03Å; D114-R117 IonicContact OD1-NH1 3.51Å; D114-R117 PolarHBondContact OD1-NH1 2.62Å; D114-E118 WeakPolarHBondContact O-CB 3.32Å; D114-E118 PolarHBondContact O-N 3.37Å |
| 115 | K | 90 | Very high | 90 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.5 | -82.1 | -163.2 | 166.5 | -158.9 | 0 | 112.9 | V38 F39 L41 Q111 A112 E118 F119 | V38-K115 HydrophobicContact CG1-CD 4.13Å; V38-K115 WeakPolarHBondContact O-CD 3.36Å; V38-K115 WeakPolarHBondContact O-CE 3.33Å; V38-K115 PolarHBondContact O-NZ 3.43Å; F39-K115 PolarHBondContact O-NZ 2.83Å; L41-K115 HydrophobicContact CB-CD 4.03Å; L41-K115 PolarHBondContact O-NZ 3.31Å; Q111-K115 PolarHBondContact O-N 3.28Å; Q111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 3.44Å; K115-E118 PolarHBondContact O-N 2.91Å; K115-F119 PolarHBondContact O-N 3.29Å |
| 116 | E | 90.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.9 | -67 | -70.6 | -170.8 | 0 | 0 | 111.4 | A112 A113 D114 E118 F119 V120 R172 I176 | A112-E116 VanDerWaalsContact O-CG 3.29Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 2.88Å; A113-E116 PolarHBondContact O-N 3.21Å; D114-E116 PolarHBondContact O-N 2.85Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.42Å; E116-F119 PolarHBondContact O-N 3.16Å; E116-V120 WeakPolarHBondContact O-CG2 3.38Å; E116-V120 PolarHBondContact O-N 3.04Å; E116-R172 IonicContact OE1-CZ 2.67Å; E116-R172 IonicContact OE1-NH1 2.7Å; E116-R172 PolarHBondContact OE1-NH1 3.45Å; E116-R172 WeakPolarHBondContact OE2-CD 3.49Å; E116-R172 WeakPolarHBondContact OE2-CG 3.33Å; E116-R172 IonicContact OE2-CZ 3.62Å; E116-R172 IonicContact OE2-NE 3.94Å; E116-R172 PolarHBondContact OE2-NE 3.49Å; E116-R172 IonicContact OE2-NH1 3.61Å; E116-R172 PolarHBondContact OE2-NH1 2.96Å; E116-I176 HydrophobicContact CB-CD1 3.84Å; E116-I176 HydrophobicContact CB-CG1 3.48Å; E116-I176 VanDerWaalsContact CB-CG1 3.48Å; E116-I176 HydrophobicContact CG-CG1 4.47Å |
| 117 | R | 92.5 | Very high | 87.5 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.1 | -75.9 | -177.6 | -165.1 | 111.9 | 0.5 | 111.6 | A113 D114 F119 V120 A121 I176 E180 | A113-R117 WeakPolarHBondContact O-CB 3.44Å; A113-R117 VanDerWaalsContact O-CG 3.31Å; A113-R117 WeakPolarHBondContact O-CG 3.44Å; A113-R117 PolarHBondContact O-N 3.38Å; D114-R117 PolarHBondContact O-N 3.03Å; D114-R117 IonicContact OD1-NH1 3.51Å; D114-R117 PolarHBondContact OD1-NH1 2.62Å; R117-F119 VanDerWaalsContact C-N 3.35Å; R117-V120 PolarHBondContact O-N 3.03Å; R117-A121 VanDerWaalsContact O-CB 3.31Å; R117-A121 WeakPolarHBondContact O-CB 3.32Å; R117-A121 PolarHBondContact O-N 2.99Å; R117-I176 HydrophobicContact CB-CD1 4.42Å; R117-I176 HydrophobicContact CG-CD1 3.75Å; R117-I176 HydrophobicContact CG-CG1 4.24Å; R117-I176 HydrophobicContact CG-CG2 4.19Å; R117-E180 IonicContact CZ-OE1 3.98Å; R117-E180 IonicContact NE-OE1 2.83Å; R117-E180 IonicContact NH2-OE1 3.19Å; R117-E180 PolarHBondContact NH2-OE1 2.98Å |
| 118 | E | 90.2 | Very high | 85.8 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 178.1 | -161.2 | -164.9 | 152.4 | 0 | 0 | 111 | D114 K115 E116 A121 R122 | D114-E118 WeakPolarHBondContact O-CB 3.32Å; D114-E118 PolarHBondContact O-N 3.37Å; K115-E118 PolarHBondContact O-N 2.91Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E118 PolarHBondContact O-N 3.42Å; E118-A121 PolarHBondContact O-N 2.79Å; E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 2.9Å; E118-R122 IonicContact OE1-CZ 3.56Å; E118-R122 IonicContact OE1-NH1 2.64Å; E118-R122 PolarHBondContact OE1-NH1 3.48Å; E118-R122 IonicContact OE2-NH1 3.23Å |
| 119 | F | 87.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 68 Ų | 68 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.3 | -52.4 | 175 | 179.7 | -87.8 | 0 | 0 | 0 | 111.5 | K115 E116 R117 A121 R122 V123 L168 R172 | K115-F119 PolarHBondContact O-N 3.29Å; E116-F119 PolarHBondContact O-N 3.16Å; R117-F119 VanDerWaalsContact C-N 3.35Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 2.89Å; F119-R122 PolarHBondContact O-N 3.33Å; F119-V123 HydrophobicContact CD1-CG2 4.25Å; F119-V123 HydrophobicContact CE1-CG2 3.75Å; F119-V123 HydrophobicContact CE2-CG2 4.39Å; F119-V123 HydrophobicContact CZ-CG2 3.81Å; F119-V123 WeakPolarHBondContact O-CG2 3.45Å; F119-V123 PolarHBondContact O-N 2.98Å; F119-V123 VanDerWaalsContact O-N 3.09Å; F119-L168 HydrophobicContact CE1-CD2 3.9Å; F119-L168 HydrophobicContact CE1-CG 3.93Å; F119-L168 HydrophobicContact CZ-CD2 3.65Å; F119-L168 HydrophobicContact CZ-CG 4.19Å; F119-R172 HydrophobicContact CD1-CG 3.85Å; F119-R172 HydrophobicContact CE1-CG 4.15Å |
| 120 | V | 89.8 | Confident | 81.9 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 179.5 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | E116 R117 R124 I169 R172 E173 I176 | E116-V120 WeakPolarHBondContact O-CG2 3.38Å; E116-V120 PolarHBondContact O-N 3.04Å; R117-V120 PolarHBondContact O-N 3.03Å; V120-R124 WeakPolarHBondContact O-CB 3.49Å; V120-R124 WeakPolarHBondContact O-CG 3.4Å; V120-R124 PolarHBondContact O-N 3.41Å; V120-R124 VanDerWaalsContact O-N 3.11Å; V120-I169 HydrophobicContact CG1-CG2 3.99Å; V120-R172 HydrophobicContact CG2-CB 3.51Å; V120-R172 HydrophobicContact CG2-CG 4.23Å; V120-E173 HydrophobicContact CG1-CG 4.33Å; V120-E173 HydrophobicContact CG2-CG 4.4Å; V120-I176 HydrophobicContact CG2-CD1 4.37Å |
| 121 | A | 88.7 | Confident | 79.6 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R117 E118 F119 R124 A125 | R117-A121 VanDerWaalsContact O-CB 3.31Å; R117-A121 WeakPolarHBondContact O-CB 3.32Å; R117-A121 PolarHBondContact O-N 2.99Å; E118-A121 PolarHBondContact O-N 2.79Å; F119-A121 VanDerWaalsContact C-N 3.3Å; F119-A121 PolarHBondContact O-N 2.89Å; A121-R124 PolarHBondContact O-N 3.17Å; A121-A125 VanDerWaalsContact O-CB 3.26Å; A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 2.78Å |
| 122 | R | 85.7 | Confident | 77.3 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 178.1 | -72.6 | -169.2 | -51.1 | -105.6 | -0.1 | 112.2 | E118 F119 R124 A125 G126 | E118-R122 WeakPolarHBondContact O-CG 3.35Å; E118-R122 PolarHBondContact O-N 2.9Å; E118-R122 IonicContact OE1-CZ 3.56Å; E118-R122 IonicContact OE1-NH1 2.64Å; E118-R122 PolarHBondContact OE1-NH1 3.48Å; E118-R122 IonicContact OE2-NH1 3.23Å; F119-R122 PolarHBondContact O-N 3.33Å; R122-R124 VanDerWaalsContact C-N 3.32Å; R122-R124 PolarHBondContact O-N 2.81Å; R122-A125 PolarHBondContact O-N 3.11Å; R122-G126 PolarHBondContact O-N 3.09Å |
| 123 | V | 84.1 | Confident | 74.8 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | F119 S127 D165 I169 | F119-V123 HydrophobicContact CD1-CG2 4.25Å; F119-V123 HydrophobicContact CE1-CG2 3.75Å; F119-V123 HydrophobicContact CE2-CG2 4.39Å; F119-V123 HydrophobicContact CZ-CG2 3.81Å; F119-V123 WeakPolarHBondContact O-CG2 3.45Å; F119-V123 PolarHBondContact O-N 2.98Å; F119-V123 VanDerWaalsContact O-N 3.09Å; V123-S127 PolarHBondContact O-N 2.91Å; V123-D165 HydrophobicContact CG1-CB 4.39Å; V123-I169 HydrophobicContact CB-CD1 4.15Å; V123-I169 HydrophobicContact CB-CG1 4.32Å; V123-I169 HydrophobicContact CG1-CD1 3.56Å; V123-I169 HydrophobicContact CG1-CG1 4.05Å |
| 124 | R | 84 | Confident | 72.5 | Confident | 99 Ų | 99 | 79.9 Ų | 79.9 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 176.2 | -74.1 | 179.9 | 173.1 | 144.4 | -0.2 | 113.6 | V120 A121 R122 S127 R128 I169 E173 | V120-R124 WeakPolarHBondContact O-CB 3.49Å; V120-R124 WeakPolarHBondContact O-CG 3.4Å; V120-R124 PolarHBondContact O-N 3.41Å; V120-R124 VanDerWaalsContact O-N 3.11Å; A121-R124 PolarHBondContact O-N 3.17Å; R122-R124 VanDerWaalsContact C-N 3.32Å; R122-R124 PolarHBondContact O-N 2.81Å; R124-S127 WeakPolarHBondContact O-CB 3.35Å; R124-S127 PolarHBondContact O-N 3.29Å; R124-R128 WeakPolarHBondContact O-CG 3.49Å; R124-R128 PolarHBondContact O-N 3.46Å; R124-R128 VanDerWaalsContact O-N 3.14Å; R124-I169 HydrophobicContact CG-CD1 4.24Å; R124-I169 VanDerWaalsContact NH2-CG2 3.34Å; R124-E173 IonicContact CZ-OE1 2.71Å; R124-E173 IonicContact NH1-OE1 3.84Å; R124-E173 PolarHBondContact NH1-OE1 2.7Å; R124-E173 IonicContact NH2-OE1 3.08Å; R124-E173 PolarHBondContact NH2-OE1 3.33Å; R124-E173 IonicContact NH2-OE2 3.88Å; R124-E173 PolarHBondContact NH2-OE2 3.38Å |
| 125 | A | 79.3 | Confident | 70 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A121 R122 S127 R128 L129 | A121-A125 VanDerWaalsContact O-CB 3.26Å; A121-A125 WeakPolarHBondContact O-CB 3.33Å; A121-A125 PolarHBondContact O-N 2.78Å; R122-A125 PolarHBondContact O-N 3.11Å; A125-S127 PolarHBondContact O-N 3.33Å; A125-R128 PolarHBondContact O-N 3.31Å; A125-R128 VanDerWaalsContact O-N 3.17Å; A125-L129 PolarHBondContact O-N 3.15Å |
| 126 | G | 69.6 | Low | 67.8 | Low | 46 Ų | 46 | 84.8 Ų | 84.8 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.6 | -37.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R122 | R122-G126 PolarHBondContact O-N 3.09Å |
| 127 | S | 64.3 | Low | 65.4 | Low | 34 Ų | 34 | 89 Ų | 89 | 24% | 0.238 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -72.6 | -41 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 115 | V123 R124 A125 L129 S130 G131 I161 | V123-S127 PolarHBondContact O-N 2.91Å; R124-S127 WeakPolarHBondContact O-CB 3.35Å; R124-S127 PolarHBondContact O-N 3.29Å; A125-S127 PolarHBondContact O-N 3.33Å; S127-L129 VanDerWaalsContact C-N 3.27Å; S127-L129 PolarHBondContact O-N 3.3Å; S127-S130 PolarHBondContact O-N 3.44Å; S127-G131 PolarHBondContact O-N 2.64Å; S127-I161 WeakPolarHBondContact OG-CD1 3.14Å; S127-I161 VanDerWaalsContact OG-CG1 3.25Å; S127-I161 WeakPolarHBondContact OG-CG1 3.42Å |
| 128 | R | 58 | Low | 63.1 | Low | 214 Ų | 214 | 94 Ų | 94 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -28.4 | -177.5 | -79.3 | -176.7 | 166.2 | -167.4 | -4 | 113.4 | R124 A125 S130 | R124-R128 WeakPolarHBondContact O-CG 3.49Å; R124-R128 PolarHBondContact O-N 3.46Å; R124-R128 VanDerWaalsContact O-N 3.14Å; A125-R128 PolarHBondContact O-N 3.31Å; A125-R128 VanDerWaalsContact O-N 3.17Å; R128-S130 PolarHBondContact O-N 3.28Å |
| 129 | L | 51.9 | Low | 60.7 | Low | 164 Ų | 164 | 91.7 Ų | 91.7 | 86% | 0.859 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.3 | 173.7 | -69.2 | 168.6 | 0 | 0 | 0 | 112.9 | A125 S127 | A125-L129 PolarHBondContact O-N 3.15Å; S127-L129 VanDerWaalsContact C-N 3.27Å; S127-L129 PolarHBondContact O-N 3.3Å |
| 130 | S | 49 | Very low | 58.7 | Low | 55 Ų | 55 | 98.3 Ų | 98.3 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | -27.3 | 178.9 | -162.8 | 0 | 0 | 0 | 0 | 113.3 | S127 R128 G132 A158 | S127-S130 PolarHBondContact O-N 3.44Å; R128-S130 PolarHBondContact O-N 3.28Å; S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.12Å; S130-A158 WeakPolarHBondContact OG-CB 3.36Å |
| 131 | G | 46.5 | Very low | 56.3 | Low | 56 Ų | 56 | 102.4 Ų | 102.4 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -84.1 | 73.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S127 Q133 | S127-G131 PolarHBondContact O-N 2.64Å; G131-Q133 PolarHBondContact O-N 2.96Å; G131-Q133 VanDerWaalsContact O-N 3.16Å |
| 132 | G | 43.3 | Very low | 54.1 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | trans | -48.2 | 122.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S130 P134 | S130-G132 PolarHBondContact O-N 3.42Å; S130-G132 VanDerWaalsContact O-N 3.12Å; G132-P134 WeakPolarHBondContact O-CD 3.29Å | ||
| 133 | Q | 38.7 | Very low | 52.3 | Low | 171 Ų | 171 | 105.8 Ų | 105.8 | 80% | 0.799 | 64% | 0.636 | S | S | * | * | trans | -62.5 | 119.1 | 173.9 | -167.2 | 164.2 | 10.1 | 0 | 0 | 108.8 | G131 D135 | G131-Q133 PolarHBondContact O-N 2.96Å; G131-Q133 VanDerWaalsContact O-N 3.16Å; Q133-D135 VanDerWaalsContact C-N 3.29Å; Q133-D135 HydrophobicContact CG-CB 4.46Å; Q133-D135 PolarHBondContact O-N 3.29Å | ||
| 134 | P | 45.9 | Very low | 50.4 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | trans | -79.4 | 92.1 | 155.2 | 29.9 | -20.6 | 0 | 0 | 0 | 105.1 | G132 D136 | G132-P134 WeakPolarHBondContact O-CD 3.29Å; P134-D136 PolarHBondContact O-N 3.49Å | ||
| 135 | D | 40.7 | Very low | 48.3 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 66% | 0.658 | 69% | 0.69 | S | S | * | * | trans | -72.8 | 88 | 161.7 | -163.9 | 26.8 | 0 | 0 | 0 | 106.4 | Q133 S137 | Q133-D135 VanDerWaalsContact C-N 3.29Å; Q133-D135 HydrophobicContact CG-CB 4.46Å; Q133-D135 PolarHBondContact O-N 3.29Å; D135-S137 PolarHBondContact O-N 2.97Å | ||
| 136 | D | 44.3 | Very low | 46.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -65.2 | 72.6 | 163.4 | -89 | -28.1 | 0 | 0 | 0 | 108.2 | P134 | P134-D136 PolarHBondContact O-N 3.49Š| ||
| 137 | S | 39.1 | Very low | 45.5 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -97.8 | 85.9 | 164.8 | -140.2 | 0 | 0 | 0 | 0 | 108.1 | D135 G139 | D135-S137 PolarHBondContact O-N 2.97Å; S137-G139 VanDerWaalsContact C-N 3.34Å; S137-G139 PolarHBondContact O-N 3.1Å | ||
| 138 | F | 44.3 | Very low | 44.6 | Very low | 199 Ų | 199 | 134.4 Ų | 134.4 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 96 | 162.1 | -88.2 | -97.2 | 0 | 0 | 0 | 108.7 | ||||
| 139 | G | 41.1 | Very low | 43.9 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -163 | 65.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | S137 | S137-G139 VanDerWaalsContact C-N 3.34Å; S137-G139 PolarHBondContact O-N 3.1Å | ||
| 140 | N | 44.8 | Very low | 43.5 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | trans | 21.7 | 95.5 | 152 | -149.7 | 44.8 | 0 | 0 | 0 | 118.4 | ||||
| 141 | A | 39.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -146.9 | 146.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 142 | P | 42.7 | Very low | 43 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -85.2 | 166 | -160.9 | 30.1 | -25 | 0 | 0 | 0 | 114.8 | ||||
| 143 | P | 47.1 | Very low | 43 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -79.8 | 132.3 | -157.4 | 30.7 | -33.3 | 0 | 0 | 0 | 113.2 | ||||
| 144 | R | 43.8 | Very low | 43.4 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -115 | 100.8 | 163.7 | -73.9 | -153.8 | 171.6 | -152.9 | -0.6 | 111.4 | ||||
| 145 | L | 40.3 | Very low | 43.3 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 40.5 | 107.2 | 135.7 | -73.8 | 38.9 | 0 | 0 | 0 | 117.1 | ||||
| 146 | I | 47 | Very low | 43.7 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -62.1 | 126 | 174.2 | -61.1 | 160.2 | 0 | 0 | 0 | 110.5 | ||||
| 147 | Q | 44.7 | Very low | 43.8 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -120.6 | 123.4 | 163.1 | -167.5 | 157.8 | 73.8 | 0 | 0 | 108.6 | R149 | Q147-R149 PolarHBondContact O-N 3.39Å; Q147-R149 VanDerWaalsContact O-N 3.14Å | ||
| 148 | P | 45.4 | Very low | 44.2 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -81.1 | 99.8 | -176.8 | 30.4 | -29.3 | 0 | 0 | 0 | 109.1 | ||||
| 149 | R | 43.1 | Very low | 44.7 | Very low | 225 Ų | 225 | 148 Ų | 148 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | trans | -88.8 | 117.3 | 163.6 | -107.4 | -172.9 | 177.6 | -174.1 | 0.1 | 108.8 | Q147 Y151 | Q147-R149 PolarHBondContact O-N 3.39Å; Q147-R149 VanDerWaalsContact O-N 3.14Å; R149-Y151 PolarHBondContact O-N 3.49Å | ||
| 150 | S | 42.5 | Very low | 45.7 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -45.8 | 118.6 | 176.2 | -44.3 | 0 | 0 | 0 | 0 | 112 | S152 | S150-S152 PolarHBondContact O-N 3.35Å; S150-S152 VanDerWaalsContact O-N 3.15Å | ||
| 151 | Y | 40.7 | Very low | 46.7 | Very low | 228 Ų | 228 | 145.2 Ų | 145.2 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -76 | 96.2 | 170.5 | -76.5 | -90.3 | 0 | 0 | 0 | 109.3 | R149 Q153 | R149-Y151 PolarHBondContact O-N 3.49Å; Y151-Q153 PolarHBondContact O-N 3.02Å | ||
| 152 | S | 44.3 | Very low | 48.6 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -68.4 | 103.8 | 150.2 | 50 | 0 | 0 | 0 | 0 | 107.4 | S150 V154 | S150-S152 PolarHBondContact O-N 3.35Å; S150-S152 VanDerWaalsContact O-N 3.15Å; S152-V154 PolarHBondContact O-N 3.14Å | ||
| 153 | Q | 44 | Very low | 50.4 | Low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -62 | 87 | 167.6 | -79.8 | 174.1 | -19.2 | 0 | 0 | 109.1 | Y151 Q155 | Y151-Q153 PolarHBondContact O-N 3.02Å; Q153-Q155 PolarHBondContact O-N 3.47Å | ||
| 154 | V | 47.4 | Very low | 51.9 | Low | 122 Ų | 122 | 146.1 Ų | 146.1 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | -83.1 | 104 | 150.9 | 178.5 | 0 | 0 | 0 | 0 | 104.4 | S152 S156 | S152-V154 PolarHBondContact O-N 3.14Å; V154-S156 PolarHBondContact O-N 3.34Å | ||
| 155 | Q | 43.8 | Very low | 53.6 | Low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -63 | 84.5 | 175 | -170.4 | 169.3 | 5.2 | 0 | 0 | 108.5 | Q153 Q157 | Q153-Q155 PolarHBondContact O-N 3.47Å; Q155-Q157 VanDerWaalsContact C-N 3.34Å; Q155-Q157 PolarHBondContact O-N 3.06Å | ||
| 156 | S | 47.5 | Very low | 55.7 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -65.6 | 97.1 | 166.2 | 50.1 | 0 | 0 | 0 | 0 | 106.9 | V154 A158 | V154-S156 PolarHBondContact O-N 3.34Å; S156-A158 VanDerWaalsContact C-N 3.35Å; S156-A158 PolarHBondContact O-N 2.9Å | ||
| 157 | Q | 46.3 | Very low | 57.6 | Low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -54.4 | 105.5 | 162.2 | -92 | 170.8 | 68.1 | 0 | 0 | 106.7 | Q155 E159 | Q155-Q157 VanDerWaalsContact C-N 3.34Å; Q155-Q157 PolarHBondContact O-N 3.06Å; Q157-E159 PolarHBondContact O-N 2.84Å; Q157-E159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | A | 48.2 | Very low | 59.5 | Low | 62 Ų | 62 | 126.3 Ų | 126.3 | 51% | 0.512 | 64% | 0.644 | S | S | . | * | trans | -66.5 | 105.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S130 S156 I160 | S130-A158 WeakPolarHBondContact OG-CB 3.36Å; S156-A158 VanDerWaalsContact C-N 3.35Å; S156-A158 PolarHBondContact O-N 2.9Å; A158-I160 VanDerWaalsContact C-N 3.35Å; A158-I160 PolarHBondContact O-N 3.35Å; A158-I160 VanDerWaalsContact O-N 3.09Å | ||
| 159 | E | 54.6 | Low | 61.5 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | trans | -78.6 | 89.9 | 172.8 | -150.7 | 171.9 | -151.1 | 0 | 0 | 107.3 | Q157 I161 | Q157-E159 PolarHBondContact O-N 2.84Å; Q157-E159 VanDerWaalsContact O-N 3.12Å; E159-I161 PolarHBondContact O-N 3.39Å | ||
| 160 | I | 62.6 | Low | 63.7 | Low | 135 Ų | 135 | 116.4 Ų | 116.4 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 128.7 | 171.6 | -60.1 | 171.5 | 0 | 0 | 0 | 106.7 | A158 T162 | A158-I160 VanDerWaalsContact C-N 3.35Å; A158-I160 PolarHBondContact O-N 3.35Å; A158-I160 VanDerWaalsContact O-N 3.09Å; I160-T162 PolarHBondContact O-N 2.9Å |
| 161 | I | 66.4 | Low | 66 | Low | 42 Ų | 42 | 113.9 Ų | 113.9 | 22% | 0.215 | 57% | 0.573 | C | S | . | * | P | Polyproline II helix | trans | -52.1 | 118.6 | 170.4 | -66.7 | 179.8 | 0 | 0 | 0 | 107.6 | S127 E159 D165 L166 | S127-I161 WeakPolarHBondContact OG-CD1 3.14Å; S127-I161 VanDerWaalsContact OG-CG1 3.25Å; S127-I161 WeakPolarHBondContact OG-CG1 3.42Å; E159-I161 PolarHBondContact O-N 3.39Å; I161-D165 HydrophobicContact CG2-CB 3.61Å; I161-L166 HydrophobicContact CG2-CD2 3.75Å; I161-L166 HydrophobicContact CG2-CG 3.64Å |
| 162 | T | 78.1 | Confident | 68.3 | Low | 65 Ų | 65 | 103.2 Ų | 103.2 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 161.2 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | I160 E164 D165 L166 | I160-T162 PolarHBondContact O-N 2.9Å; T162-E164 PolarHBondContact O-N 3.42Å; T162-D165 WeakPolarHBondContact CB-OD2 3.45Å; T162-D165 PolarHBondContact N-OD2 2.91Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 VanDerWaalsContact O-N 3.11Å; T162-D165 PolarHBondContact OG1-N 2.99Å; T162-D165 VanDerWaalsContact OG1-N 3.11Å; T162-D165 PolarHBondContact OG1-OD2 3.38Å; T162-L166 PolarHBondContact O-N 3.44Å; T162-L166 VanDerWaalsContact O-N 3.14Å |
| 163 | E | 80.1 | Confident | 70.6 | Confident | 133 Ų | 133 | 100.8 Ų | 100.8 | 62% | 0.621 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -29.9 | 172.1 | -164.6 | -174.4 | 155.1 | 0 | 0 | 111.5 | L166 R167 | E163-L166 PolarHBondContact O-N 2.85Å; E163-R167 WeakPolarHBondContact O-CG 3.17Å; E163-R167 PolarHBondContact O-N 2.88Å; E163-R167 VanDerWaalsContact O-N 3.14Å; E163-R167 IonicContact OE1-CZ 2.87Å; E163-R167 IonicContact OE1-NE 3.73Å; E163-R167 IonicContact OE1-NH2 3.32Å; E163-R167 PolarHBondContact OE1-NH2 3.2Å |
| 164 | E | 79.1 | Confident | 72.9 | Confident | 153 Ų | 153 | 95.5 Ų | 95.5 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 174.9 | -61.6 | -174.7 | 167.8 | 0 | 0 | 111.9 | T162 L166 R167 L168 | T162-E164 PolarHBondContact O-N 3.42Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.07Å; E164-R167 PolarHBondContact O-N 3.14Å; E164-L168 WeakPolarHBondContact O-CB 3.42Å; E164-L168 PolarHBondContact O-N 2.8Å |
| 165 | D | 79.6 | Confident | 74.9 | Confident | 50 Ų | 50 | 89.9 Ų | 89.9 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 175.7 | -64.3 | -44.9 | 0 | 0 | 0 | 112.2 | V123 I161 T162 L168 I169 | V123-D165 HydrophobicContact CG1-CB 4.39Å; I161-D165 HydrophobicContact CG2-CB 3.61Å; T162-D165 WeakPolarHBondContact CB-OD2 3.45Å; T162-D165 PolarHBondContact N-OD2 2.91Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 VanDerWaalsContact O-N 3.11Å; T162-D165 PolarHBondContact OG1-N 2.99Å; T162-D165 VanDerWaalsContact OG1-N 3.11Å; T162-D165 PolarHBondContact OG1-OD2 3.38Å; D165-L168 PolarHBondContact O-N 3.21Å; D165-I169 WeakPolarHBondContact O-CB 3.29Å; D165-I169 VanDerWaalsContact O-CG1 3.29Å; D165-I169 WeakPolarHBondContact O-CG1 3.35Å; D165-I169 PolarHBondContact O-N 2.87Å |
| 166 | L | 84.8 | Confident | 77.4 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 47% | 0.466 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 175.4 | -72.5 | 176.8 | 0 | 0 | 0 | 111.8 | I161 T162 E163 E164 L168 I169 Q170 | I161-L166 HydrophobicContact CG2-CD2 3.75Å; I161-L166 HydrophobicContact CG2-CG 3.64Å; T162-L166 PolarHBondContact O-N 3.44Å; T162-L166 VanDerWaalsContact O-N 3.14Å; E163-L166 PolarHBondContact O-N 2.85Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.07Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L166-I169 PolarHBondContact O-N 3.31Å; L166-Q170 WeakPolarHBondContact O-CG 3.5Å; L166-Q170 PolarHBondContact O-N 3.18Å |
| 167 | R | 86.1 | Confident | 79.7 | Confident | 156 Ų | 156 | 85.4 Ų | 85.4 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | 176 | -73.6 | 177.4 | -177.6 | 178.8 | 7.8 | 111.2 | E163 E164 Q170 E171 | E163-R167 WeakPolarHBondContact O-CG 3.17Å; E163-R167 PolarHBondContact O-N 2.88Å; E163-R167 VanDerWaalsContact O-N 3.14Å; E163-R167 IonicContact OE1-CZ 2.87Å; E163-R167 IonicContact OE1-NE 3.73Å; E163-R167 IonicContact OE1-NH2 3.32Å; E163-R167 PolarHBondContact OE1-NH2 3.2Å; E164-R167 PolarHBondContact O-N 3.14Å; R167-Q170 PolarHBondContact O-N 2.92Å; R167-E171 PolarHBondContact O-N 3.39Å |
| 168 | L | 84.3 | Confident | 82 | Confident | 38 Ų | 38 | 80.5 Ų | 80.5 | 20% | 0.199 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176.8 | 176.4 | 55.3 | 0 | 0 | 0 | 111.8 | F119 E164 D165 L166 Q170 E171 R172 | F119-L168 HydrophobicContact CE1-CD2 3.9Å; F119-L168 HydrophobicContact CE1-CG 3.93Å; F119-L168 HydrophobicContact CZ-CD2 3.65Å; F119-L168 HydrophobicContact CZ-CG 4.19Å; E164-L168 WeakPolarHBondContact O-CB 3.42Å; E164-L168 PolarHBondContact O-N 2.8Å; D165-L168 PolarHBondContact O-N 3.21Å; L166-L168 VanDerWaalsContact C-N 3.33Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.29Å; L168-E171 PolarHBondContact O-N 3.14Å; L168-R172 HydrophobicContact CD1-CG 4.39Å; L168-R172 WeakPolarHBondContact O-CG 3.42Å; L168-R172 PolarHBondContact O-N 3.45Å |
| 169 | I | 88.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 175 | -74.2 | 161.9 | 0 | 0 | 0 | 110.8 | V120 V123 R124 D165 L166 E171 R172 E173 | V120-I169 HydrophobicContact CG1-CG2 3.99Å; V123-I169 HydrophobicContact CB-CD1 4.15Å; V123-I169 HydrophobicContact CB-CG1 4.32Å; V123-I169 HydrophobicContact CG1-CD1 3.56Å; V123-I169 HydrophobicContact CG1-CG1 4.05Å; R124-I169 HydrophobicContact CG-CD1 4.24Å; R124-I169 VanDerWaalsContact NH2-CG2 3.34Å; D165-I169 WeakPolarHBondContact O-CB 3.29Å; D165-I169 VanDerWaalsContact O-CG1 3.29Å; D165-I169 WeakPolarHBondContact O-CG1 3.35Å; D165-I169 PolarHBondContact O-N 2.87Å; L166-I169 PolarHBondContact O-N 3.31Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.97Å; I169-R172 PolarHBondContact O-N 3.19Å; I169-E173 HydrophobicContact CG2-CG 4.37Å; I169-E173 WeakPolarHBondContact O-CG 3.29Å; I169-E173 PolarHBondContact O-N 3.32Å |
| 170 | Q | 90 | Very high | 86.1 | Confident | 131 Ų | 131 | 73.7 Ų | 73.7 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 178.6 | -74 | 175.7 | -11 | 0 | 0 | 112.1 | L166 R167 L168 E173 S174 | L166-Q170 WeakPolarHBondContact O-CG 3.5Å; L166-Q170 PolarHBondContact O-N 3.18Å; R167-Q170 PolarHBondContact O-N 2.92Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.29Å; Q170-E173 PolarHBondContact O-N 2.93Å; Q170-S174 PolarHBondContact O-N 3.21Å |
| 171 | E | 89.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.6 | -172.6 | -173.5 | 171 | 0 | 0 | 111.2 | R167 L168 I169 S174 A175 | R167-E171 PolarHBondContact O-N 3.39Å; L168-E171 PolarHBondContact O-N 3.14Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.97Å; E171-S174 WeakPolarHBondContact O-CB 3.49Å; E171-S174 PolarHBondContact O-N 3.46Å; E171-A175 PolarHBondContact O-N 3.2Å |
| 172 | R | 89.1 | Confident | 89 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 177.8 | -62.1 | -36.9 | -159.2 | 131.5 | 12.5 | 112.4 | D46 R51 E116 F119 V120 L168 I169 S174 A175 I176 | D46-R172 IonicContact OD1-CZ 3.71Å; D46-R172 IonicContact OD1-NH1 2.7Å; D46-R172 IonicContact OD1-NH2 3.13Å; D46-R172 PolarHBondContact OD1-NH2 3.38Å; D46-R172 VanDerWaalsContact OD1-NH2 3.08Å; D46-R172 IonicContact OD2-CZ 2.71Å; D46-R172 IonicContact OD2-NH1 2.68Å; D46-R172 IonicContact OD2-NH2 3.26Å; D46-R172 PolarHBondContact OD2-NH2 2.85Å; R51-R172 VanDerWaalsContact CD-CZ 3.48Å; R51-R172 VanDerWaalsContact CD-NH1 3.33Å; E116-R172 IonicContact OE1-CZ 2.67Å; E116-R172 IonicContact OE1-NH1 2.7Å; E116-R172 PolarHBondContact OE1-NH1 3.45Å; E116-R172 WeakPolarHBondContact OE2-CD 3.49Å; E116-R172 WeakPolarHBondContact OE2-CG 3.33Å; E116-R172 IonicContact OE2-CZ 3.62Å; E116-R172 IonicContact OE2-NE 3.94Å; E116-R172 PolarHBondContact OE2-NE 3.49Å; E116-R172 IonicContact OE2-NH1 3.61Å; E116-R172 PolarHBondContact OE2-NH1 2.96Å; F119-R172 HydrophobicContact CD1-CG 3.85Å; F119-R172 HydrophobicContact CE1-CG 4.15Å; V120-R172 HydrophobicContact CG2-CB 3.51Å; V120-R172 HydrophobicContact CG2-CG 4.23Å; L168-R172 HydrophobicContact CD1-CG 4.39Å; L168-R172 WeakPolarHBondContact O-CG 3.42Å; L168-R172 PolarHBondContact O-N 3.45Å; I169-R172 PolarHBondContact O-N 3.19Å; R172-S174 VanDerWaalsContact C-N 3.31Å; R172-S174 PolarHBondContact O-N 2.85Å; R172-A175 WeakPolarHBondContact O-CB 3.46Å; R172-A175 PolarHBondContact O-N 3.38Å; R172-A175 VanDerWaalsContact O-N 3.14Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.32Å; R172-I176 PolarHBondContact O-N 3.22Å |
| 173 | E | 92.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 66 Ų | 66 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 176.4 | -74.7 | -166.8 | 145.7 | 0 | 0 | 112.6 | V120 R124 I169 Q170 A175 I176 R177 | V120-E173 HydrophobicContact CG1-CG 4.33Å; V120-E173 HydrophobicContact CG2-CG 4.4Å; R124-E173 IonicContact CZ-OE1 2.71Å; R124-E173 IonicContact NH1-OE1 3.84Å; R124-E173 PolarHBondContact NH1-OE1 2.7Å; R124-E173 IonicContact NH2-OE1 3.08Å; R124-E173 PolarHBondContact NH2-OE1 3.33Å; R124-E173 IonicContact NH2-OE2 3.88Å; R124-E173 PolarHBondContact NH2-OE2 3.38Å; I169-E173 HydrophobicContact CG2-CG 4.37Å; I169-E173 WeakPolarHBondContact O-CG 3.29Å; I169-E173 PolarHBondContact O-N 3.32Å; Q170-E173 PolarHBondContact O-N 2.93Å; E173-A175 VanDerWaalsContact C-N 3.33Å; E173-I176 PolarHBondContact O-N 3.1Å; E173-R177 WeakPolarHBondContact O-CG 3.49Å; E173-R177 PolarHBondContact O-N 2.87Å |
| 174 | S | 93 | Very high | 90.5 | Very high | 77 Ų | 77 | 63.3 Ų | 63.3 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 172.1 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | Q170 E171 R172 R177 Q178 | Q170-S174 PolarHBondContact O-N 3.21Å; E171-S174 WeakPolarHBondContact O-CB 3.49Å; E171-S174 PolarHBondContact O-N 3.46Å; R172-S174 VanDerWaalsContact C-N 3.31Å; R172-S174 PolarHBondContact O-N 2.85Å; S174-R177 PolarHBondContact O-N 3.43Å; S174-Q178 PolarHBondContact O-N 3.37Å |
| 175 | A | 90 | Very high | 91.2 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E171 R172 E173 Q178 L179 | E171-A175 PolarHBondContact O-N 3.2Å; R172-A175 WeakPolarHBondContact O-CB 3.46Å; R172-A175 PolarHBondContact O-N 3.38Å; R172-A175 VanDerWaalsContact O-N 3.14Å; E173-A175 VanDerWaalsContact C-N 3.33Å; A175-Q178 PolarHBondContact O-N 2.98Å; A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.31Å; A175-L179 PolarHBondContact O-N 3.08Å |
| 176 | I | 94.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 175.4 | -67.6 | 160.1 | 0 | 0 | 0 | 110.8 | E116 R117 V120 R172 E173 Q178 L179 E180 | E116-I176 HydrophobicContact CB-CD1 3.84Å; E116-I176 HydrophobicContact CB-CG1 3.48Å; E116-I176 VanDerWaalsContact CB-CG1 3.48Å; E116-I176 HydrophobicContact CG-CG1 4.47Å; R117-I176 HydrophobicContact CB-CD1 4.42Å; R117-I176 HydrophobicContact CG-CD1 3.75Å; R117-I176 HydrophobicContact CG-CG1 4.24Å; R117-I176 HydrophobicContact CG-CG2 4.19Å; V120-I176 HydrophobicContact CG2-CD1 4.37Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.32Å; R172-I176 PolarHBondContact O-N 3.22Å; E173-I176 PolarHBondContact O-N 3.1Å; I176-Q178 VanDerWaalsContact C-N 3.31Å; I176-Q178 PolarHBondContact O-N 3.31Å; I176-L179 WeakPolarHBondContact O-CB 3.35Å; I176-L179 PolarHBondContact O-N 3.28Å; I176-E180 HydrophobicContact CG2-CG 4.44Å; I176-E180 WeakPolarHBondContact O-CG 3.48Å; I176-E180 PolarHBondContact O-N 3.25Å |
| 177 | R | 96.3 | Very high | 92.2 | Very high | 171 Ų | 171 | 54 Ų | 54 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 178.6 | -69.6 | 175.1 | -168.6 | -178.3 | 5.6 | 112 | E173 S174 E180 S181 | E173-R177 WeakPolarHBondContact O-CG 3.49Å; E173-R177 PolarHBondContact O-N 2.87Å; S174-R177 PolarHBondContact O-N 3.43Å; R177-E180 PolarHBondContact O-N 3.02Å; R177-S181 PolarHBondContact O-N 2.9Å |
| 178 | Q | 94.6 | Very high | 92.6 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.5 | -174.9 | 61.1 | 47.4 | 0 | 0 | 111.2 | S174 A175 I176 E180 S181 D182 | S174-Q178 PolarHBondContact O-N 3.37Å; A175-Q178 PolarHBondContact O-N 2.98Å; I176-Q178 VanDerWaalsContact C-N 3.31Å; I176-Q178 PolarHBondContact O-N 3.31Å; Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 3.36Å; Q178-S181 WeakPolarHBondContact O-CB 3.48Å; Q178-S181 PolarHBondContact O-N 2.79Å; Q178-D182 PolarHBondContact NE2-OD1 3.42Å; Q178-D182 VanDerWaalsContact O-CG 3.27Å; Q178-D182 PolarHBondContact O-N 2.96Å |
| 179 | L | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.3 | -83.3 | 169 | 0 | 0 | 0 | 112.6 | Q58 Q109 A112 A113 A175 I176 S181 D182 I183 | Q58-L179 VanDerWaalsContact CD-CD2 3.41Å; Q58-L179 HydrophobicContact CG-CD2 4.19Å; Q109-L179 HydrophobicContact CB-CD2 3.85Å; Q109-L179 HydrophobicContact CG-CD2 3.89Å; A112-L179 HydrophobicContact CB-CD1 3.76Å; A112-L179 HydrophobicContact CB-CD2 4.32Å; A113-L179 HydrophobicContact CB-CB 4.15Å; A113-L179 HydrophobicContact CB-CD1 3.99Å; A175-L179 WeakPolarHBondContact O-CB 3.41Å; A175-L179 WeakPolarHBondContact O-CG 3.31Å; A175-L179 PolarHBondContact O-N 3.08Å; I176-L179 WeakPolarHBondContact O-CB 3.35Å; I176-L179 PolarHBondContact O-N 3.28Å; L179-S181 VanDerWaalsContact C-N 3.35Å; L179-D182 PolarHBondContact O-N 2.89Å; L179-I183 WeakPolarHBondContact O-CB 3.4Å; L179-I183 WeakPolarHBondContact O-CD1 3.39Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 3.09Å |
| 180 | E | 95 | Very high | 93.2 | Very high | 83 Ų | 83 | 50 Ų | 50 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.7 | -72.1 | 172 | 169.3 | 0 | 0 | 112.1 | R117 I176 R177 Q178 I183 T184 | R117-E180 IonicContact CZ-OE1 3.98Å; R117-E180 IonicContact NE-OE1 2.83Å; R117-E180 IonicContact NH2-OE1 3.19Å; R117-E180 PolarHBondContact NH2-OE1 2.98Å; I176-E180 HydrophobicContact CG2-CG 4.44Å; I176-E180 WeakPolarHBondContact O-CG 3.48Å; I176-E180 PolarHBondContact O-N 3.25Å; R177-E180 PolarHBondContact O-N 3.02Å; Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 3.36Å; E180-I183 PolarHBondContact O-N 3.35Å; E180-T184 PolarHBondContact O-N 2.92Å; E180-T184 PolarHBondContact O-OG1 2.96Å |
| 181 | S | 96.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 50 Ų | 50 | 41% | 0.406 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 173.4 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | R177 Q178 L179 I183 T184 D185 | R177-S181 PolarHBondContact O-N 2.9Å; Q178-S181 WeakPolarHBondContact O-CB 3.48Å; Q178-S181 PolarHBondContact O-N 2.79Å; L179-S181 VanDerWaalsContact C-N 3.35Å; S181-I183 VanDerWaalsContact C-N 3.32Å; S181-I183 PolarHBondContact O-N 2.9Å; S181-T184 WeakPolarHBondContact O-CB 3.32Å; S181-T184 PolarHBondContact O-N 3.25Å; S181-T184 VanDerWaalsContact O-N 3.1Å; S181-D185 PolarHBondContact O-N 3.08Å |
| 182 | D | 93.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | -179.8 | -66 | -17.3 | 0 | 0 | 0 | 111.6 | N62 Q178 L179 T184 D185 I186 | N62-D182 HydrophobicContact CB-CB 4.43Å; N62-D182 PolarHBondContact ND2-OD1 3.44Å; Q178-D182 PolarHBondContact NE2-OD1 3.42Å; Q178-D182 VanDerWaalsContact O-CG 3.27Å; Q178-D182 PolarHBondContact O-N 2.96Å; L179-D182 PolarHBondContact O-N 2.89Å; D182-T184 VanDerWaalsContact C-N 3.29Å; D182-T184 PolarHBondContact O-N 3.44Å; D182-D185 WeakPolarHBondContact O-CB 3.43Å; D182-D185 PolarHBondContact O-N 3.27Å; D182-I186 WeakPolarHBondContact O-CG1 3.21Å; D182-I186 PolarHBondContact O-N 3.16Å |
| 183 | I | 94.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 175.2 | -71.8 | 163 | 0 | 0 | 0 | 110.9 | Q106 Q109 R110 L179 E180 S181 I186 N187 | Q106-I183 HydrophobicContact CG-CG2 4.29Å; Q109-I183 HydrophobicContact CB-CD1 4.14Å; Q109-I183 HydrophobicContact CB-CG1 3.88Å; R110-I183 HydrophobicContact CG-CD1 3.75Å; R110-I183 HydrophobicContact CG-CG1 4.48Å; L179-I183 WeakPolarHBondContact O-CB 3.4Å; L179-I183 WeakPolarHBondContact O-CD1 3.39Å; L179-I183 WeakPolarHBondContact O-CG1 3.35Å; L179-I183 PolarHBondContact O-N 3.09Å; E180-I183 PolarHBondContact O-N 3.35Å; S181-I183 VanDerWaalsContact C-N 3.32Å; S181-I183 PolarHBondContact O-N 2.9Å; I183-I186 PolarHBondContact O-N 2.9Å; I183-N187 PolarHBondContact O-N 3.06Å; I183-N187 PolarHBondContact O-ND2 3.02Å; I183-N187 VanDerWaalsContact O-ND2 3.08Å |
| 184 | T | 94.9 | Very high | 92.8 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | E180 S181 D182 I186 N187 D188 | E180-T184 PolarHBondContact O-N 2.92Å; E180-T184 PolarHBondContact O-OG1 2.96Å; S181-T184 WeakPolarHBondContact O-CB 3.32Å; S181-T184 PolarHBondContact O-N 3.25Å; S181-T184 VanDerWaalsContact O-N 3.1Å; D182-T184 VanDerWaalsContact C-N 3.29Å; D182-T184 PolarHBondContact O-N 3.44Å; T184-I186 VanDerWaalsContact C-N 3.31Å; T184-I186 PolarHBondContact O-N 3.46Å; T184-N187 WeakPolarHBondContact O-CB 3.19Å; T184-N187 PolarHBondContact O-N 2.86Å; T184-N187 VanDerWaalsContact O-N 3.1Å; T184-D188 PolarHBondContact O-N 3.29Å |
| 185 | D | 94.7 | Very high | 92.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 174.1 | -70.1 | -44.2 | 0 | 0 | 0 | 111.7 | N62 K66 S181 D182 N187 D188 I189 | N62-D185 PolarHBondContact ND2-OD2 2.92Å; K66-D185 WeakPolarHBondContact CE-OD2 3.43Å; K66-D185 IonicContact NZ-OD1 2.74Å; K66-D185 PolarHBondContact NZ-OD1 2.89Å; K66-D185 VanDerWaalsContact NZ-OD1 3.17Å; K66-D185 IonicContact NZ-OD2 2.7Å; K66-D185 PolarHBondContact NZ-OD2 2.9Å; S181-D185 PolarHBondContact O-N 3.08Å; D182-D185 WeakPolarHBondContact O-CB 3.43Å; D182-D185 PolarHBondContact O-N 3.27Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.4Å; D185-D188 PolarHBondContact O-N 2.71Å; D185-I189 WeakPolarHBondContact O-CG1 3.19Å; D185-I189 PolarHBondContact O-N 2.88Å; D185-I189 VanDerWaalsContact O-N 3.08Å |
| 186 | I | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.3 | -67.4 | 178.5 | 0 | 0 | 0 | 111.5 | L102 L105 Q106 D182 I183 T184 D188 I189 F190 | L102-I186 HydrophobicContact CB-CG2 4.27Å; L102-I186 HydrophobicContact CD2-CG2 4.3Å; L105-I186 HydrophobicContact CB-CD1 4.44Å; L105-I186 HydrophobicContact CD2-CD1 3.72Å; L105-I186 HydrophobicContact CG-CD1 3.86Å; Q106-I186 HydrophobicContact CB-CD1 4.37Å; Q106-I186 HydrophobicContact CB-CG2 4.11Å; Q106-I186 HydrophobicContact CG-CG2 4.32Å; D182-I186 WeakPolarHBondContact O-CG1 3.21Å; D182-I186 PolarHBondContact O-N 3.16Å; I183-I186 PolarHBondContact O-N 2.9Å; T184-I186 VanDerWaalsContact C-N 3.31Å; T184-I186 PolarHBondContact O-N 3.46Å; I186-D188 VanDerWaalsContact C-N 3.28Å; I186-D188 PolarHBondContact O-N 2.94Å; I186-I189 PolarHBondContact O-N 2.91Å; I186-F190 HydrophobicContact CG2-CD2 3.71Å; I186-F190 HydrophobicContact CG2-CE2 3.53Å; I186-F190 VanDerWaalsContact O-CD2 3.31Å; I186-F190 WeakPolarHBondContact O-CD2 3.41Å; I186-F190 PolarHBondContact O-N 3.08Å |
| 187 | N | 91 | Very high | 90.9 | Very high | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 175.6 | -74 | -42.7 | 0 | 0 | 0 | 112.1 | Q106 I183 T184 D185 F190 K191 | Q106-N187 PolarHBondContact NE2-OD1 3Å; I183-N187 PolarHBondContact O-N 3.06Å; I183-N187 PolarHBondContact O-ND2 3.02Å; I183-N187 VanDerWaalsContact O-ND2 3.08Å; T184-N187 WeakPolarHBondContact O-CB 3.19Å; T184-N187 PolarHBondContact O-N 2.86Å; T184-N187 VanDerWaalsContact O-N 3.1Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.4Å; N187-F190 PolarHBondContact O-N 2.97Å; N187-K191 WeakPolarHBondContact O-CG 3.4Å; N187-K191 PolarHBondContact O-N 3.49Å; N187-K191 VanDerWaalsContact O-N 3.15Å |
| 188 | D | 93.9 | Very high | 89 | Confident | 68 Ų | 68 | 52 Ų | 52 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 176 | -70.6 | -23.5 | 0 | 0 | 0 | 111.3 | T184 D185 I186 F190 K191 D192 | T184-D188 PolarHBondContact O-N 3.29Å; D185-D188 PolarHBondContact O-N 2.71Å; I186-D188 VanDerWaalsContact C-N 3.28Å; I186-D188 PolarHBondContact O-N 2.94Å; D188-F190 VanDerWaalsContact C-N 3.3Å; D188-F190 PolarHBondContact O-N 3.04Å; D188-K191 WeakPolarHBondContact O-CB 3.38Å; D188-K191 PolarHBondContact O-N 3.47Å; D188-K191 VanDerWaalsContact O-N 3.1Å; D188-K191 IonicContact OD1-NZ 2.94Å; D188-K191 PolarHBondContact OD1-NZ 3.09Å; D188-D192 PolarHBondContact O-N 3.44Å; D188-D192 VanDerWaalsContact O-N 3.09Å |
| 189 | I | 94.5 | Very high | 86.9 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 172.3 | -61.6 | 166.8 | 0 | 0 | 0 | 111.1 | A65 K66 D69 F98 L102 D185 I186 K191 D192 L193 | A65-I189 HydrophobicContact CB-CD1 3.8Å; K66-I189 HydrophobicContact CG-CD1 4.24Å; D69-I189 HydrophobicContact CB-CD1 4.37Å; D69-I189 HydrophobicContact CB-CG1 4.05Å; D69-I189 HydrophobicContact CB-CG2 3.85Å; F98-I189 HydrophobicContact CE1-CG2 3.75Å; F98-I189 HydrophobicContact CZ-CG2 3.85Å; L102-I189 HydrophobicContact CD1-CB 4.29Å; L102-I189 HydrophobicContact CD1-CG2 3.55Å; D185-I189 WeakPolarHBondContact O-CG1 3.19Å; D185-I189 PolarHBondContact O-N 2.88Å; D185-I189 VanDerWaalsContact O-N 3.08Å; I186-I189 PolarHBondContact O-N 2.91Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 3.33Å; I189-D192 WeakPolarHBondContact O-CB 3.22Å; I189-D192 PolarHBondContact O-N 2.82Å; I189-D192 VanDerWaalsContact O-N 3.13Å; I189-L193 HydrophobicContact CG2-CD1 4.38Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CG 3.42Å; I189-L193 PolarHBondContact O-N 2.92Å |
| 190 | F | 91.8 | Very high | 84.3 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 175 | -87.4 | -61 | 0 | 0 | 0 | 113.1 | L102 N103 I186 N187 D188 D192 L193 G194 | L102-F190 HydrophobicContact CB-CE1 4.12Å; L102-F190 HydrophobicContact CB-CE2 3.93Å; L102-F190 HydrophobicContact CB-CZ 3.52Å; L102-F190 HydrophobicContact CD1-CE1 4.48Å; L102-F190 HydrophobicContact CD1-CZ 4.49Å; N103-F190 HydrophobicContact CB-CZ 4.32Å; N103-F190 WeakPolarHBondContact OD1-CZ 3.4Å; I186-F190 HydrophobicContact CG2-CD2 3.71Å; I186-F190 HydrophobicContact CG2-CE2 3.53Å; I186-F190 VanDerWaalsContact O-CD2 3.31Å; I186-F190 WeakPolarHBondContact O-CD2 3.41Å; I186-F190 PolarHBondContact O-N 3.08Å; N187-F190 PolarHBondContact O-N 2.97Å; D188-F190 VanDerWaalsContact C-N 3.3Å; D188-F190 PolarHBondContact O-N 3.04Å; F190-D192 VanDerWaalsContact C-N 3.33Å; F190-L193 HydrophobicContact CD1-CD1 4.28Å; F190-L193 PolarHBondContact O-N 3.48Å; F190-G194 PolarHBondContact O-N 3.47Å |
| 191 | K | 89.8 | Confident | 81.8 | Confident | 129 Ų | 129 | 57.7 Ų | 57.7 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 173.3 | -63.9 | 167.8 | -167.5 | 158.6 | 0 | 110.5 | N187 D188 I189 G194 M195 | N187-K191 WeakPolarHBondContact O-CG 3.4Å; N187-K191 PolarHBondContact O-N 3.49Å; N187-K191 VanDerWaalsContact O-N 3.15Å; D188-K191 WeakPolarHBondContact O-CB 3.38Å; D188-K191 PolarHBondContact O-N 3.47Å; D188-K191 VanDerWaalsContact O-N 3.1Å; D188-K191 IonicContact OD1-NZ 2.94Å; D188-K191 PolarHBondContact OD1-NZ 3.09Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 3.33Å; K191-G194 PolarHBondContact O-N 2.73Å; K191-M195 WeakPolarHBondContact O-CG 3.24Å; K191-M195 PolarHBondContact O-N 3.3Å |
| 192 | D | 89.3 | Confident | 79.6 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176 | -67.9 | -39.9 | 0 | 0 | 0 | 112.2 | K73 D188 I189 F190 M195 M196 | K73-D192 VanDerWaalsContact CE-CG 3.42Å; K73-D192 WeakPolarHBondContact CE-OD2 3.29Å; K73-D192 IonicContact NZ-OD1 3.59Å; K73-D192 IonicContact NZ-OD2 2.72Å; K73-D192 PolarHBondContact NZ-OD2 3.11Å; D188-D192 PolarHBondContact O-N 3.44Å; D188-D192 VanDerWaalsContact O-N 3.09Å; I189-D192 WeakPolarHBondContact O-CB 3.22Å; I189-D192 PolarHBondContact O-N 2.82Å; I189-D192 VanDerWaalsContact O-N 3.13Å; F190-D192 VanDerWaalsContact C-N 3.33Å; D192-M195 HydrophobicContact CB-CE 4.44Å; D192-M195 PolarHBondContact O-N 3.23Å; D192-M195 WeakPolarHBondContact OD1-CE 3.48Å; D192-M196 HydrophobicContact CB-CE 4.22Å; D192-M196 WeakPolarHBondContact O-CE 3.45Å; D192-M196 WeakPolarHBondContact O-CG 3.4Å; D192-M196 PolarHBondContact O-N 3.08Å |
| 193 | L | 89 | Confident | 77.2 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 173 | -64.7 | 176.1 | 0 | 0 | 0 | 112 | L95 F98 L102 I189 F190 M195 M196 V197 | L95-L193 HydrophobicContact CD2-CD2 3.49Å; L95-L193 VanDerWaalsContact CD2-CD2 3.49Å; F98-L193 HydrophobicContact CD1-CD1 3.87Å; F98-L193 HydrophobicContact CD1-CD2 3.58Å; F98-L193 HydrophobicContact CD1-CG 4.28Å; F98-L193 HydrophobicContact CE1-CD1 4.16Å; F98-L193 HydrophobicContact CE1-CD2 3.97Å; F98-L193 HydrophobicContact CE1-CG 4.42Å; L102-L193 HydrophobicContact CD1-CD1 3.68Å; I189-L193 HydrophobicContact CG2-CD1 4.38Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 WeakPolarHBondContact O-CG 3.42Å; I189-L193 PolarHBondContact O-N 2.92Å; F190-L193 HydrophobicContact CD1-CD1 4.28Å; F190-L193 PolarHBondContact O-N 3.48Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3Å; L193-M196 HydrophobicContact CD2-CE 3.7Å; L193-M196 HydrophobicContact CG-CE 4.43Å; L193-M196 PolarHBondContact O-N 3.23Å; L193-M196 VanDerWaalsContact O-N 3.1Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.31Å; L193-V197 PolarHBondContact O-N 2.83Å |
| 194 | G | 83.4 | Confident | 74.7 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F190 K191 M196 V197 H198 | F190-G194 PolarHBondContact O-N 3.47Å; K191-G194 PolarHBondContact O-N 2.73Å; G194-M196 PolarHBondContact O-N 3.41Å; G194-V197 PolarHBondContact O-N 3.4Å; G194-H198 WeakPolarHBondContact O-CB 3.45Å; G194-H198 PolarHBondContact O-N 3.12Å |
| 195 | M | 84.3 | Confident | 72.4 | Confident | 122 Ų | 122 | 75.4 Ų | 75.4 | 60% | 0.601 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 174.9 | -67.1 | -172 | -66.9 | 0 | 0 | 112.3 | K191 D192 L193 V197 | K191-M195 WeakPolarHBondContact O-CG 3.24Å; K191-M195 PolarHBondContact O-N 3.3Å; D192-M195 HydrophobicContact CB-CE 4.44Å; D192-M195 PolarHBondContact O-N 3.23Å; D192-M195 WeakPolarHBondContact OD1-CE 3.48Å; L193-M195 VanDerWaalsContact C-N 3.3Å; L193-M195 PolarHBondContact O-N 3Å; M195-V197 VanDerWaalsContact C-N 3.29Å; M195-V197 PolarHBondContact O-N 3.14Å |
| 196 | M | 82.9 | Confident | 70.1 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 177.3 | -71.4 | -176.2 | -102 | 0 | 0 | 113.5 | M72 K73 T76 K91 L95 D192 L193 G194 | M72-M196 HydrophobicContact CB-CE 4.16Å; M72-M196 HydrophobicContact CB-SD 4.06Å; M72-M196 HydrophobicContact CE-SD 4.28Å; K73-M196 HydrophobicContact CG-CE 4.33Å; T76-M196 HydrophobicContact CG2-CG 4.23Å; T76-M196 HydrophobicContact CG2-SD 3.8Å; K91-M196 WeakPolarHBondContact CE-O 3.42Å; K91-M196 PolarHBondContact NZ-O 3.13Å; L95-M196 HydrophobicContact CD1-CB 4.26Å; L95-M196 HydrophobicContact CD2-CB 3.89Å; L95-M196 HydrophobicContact CD2-SD 4.09Å; D192-M196 HydrophobicContact CB-CE 4.22Å; D192-M196 WeakPolarHBondContact O-CE 3.45Å; D192-M196 WeakPolarHBondContact O-CG 3.4Å; D192-M196 PolarHBondContact O-N 3.08Å; L193-M196 HydrophobicContact CD2-CE 3.7Å; L193-M196 HydrophobicContact CG-CE 4.43Å; L193-M196 PolarHBondContact O-N 3.23Å; L193-M196 VanDerWaalsContact O-N 3.1Å; G194-M196 PolarHBondContact O-N 3.41Å |
| 197 | V | 71 | Confident | 67.9 | Low | 37 Ų | 37 | 80.8 Ų | 80.8 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -84.6 | -35.7 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | L95 L193 G194 M195 E199 Q200 | L95-V197 HydrophobicContact CD1-CG2 3.94Å; L193-V197 VanDerWaalsContact O-CG2 3.32Å; L193-V197 WeakPolarHBondContact O-CG2 3.31Å; L193-V197 PolarHBondContact O-N 2.83Å; G194-V197 PolarHBondContact O-N 3.4Å; M195-V197 VanDerWaalsContact C-N 3.29Å; M195-V197 PolarHBondContact O-N 3.14Å; V197-E199 PolarHBondContact O-N 3.16Å; V197-Q200 PolarHBondContact O-N 3.31Å |
| 198 | H | 55.9 | Low | 65.4 | Low | 172 Ų | 172 | 87 Ų | 87 | 80% | 0.796 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.2 | -174 | -156.3 | 62.5 | 0 | 0 | 0 | 114.9 | G194 Q200 | G194-H198 WeakPolarHBondContact O-CB 3.45Å; G194-H198 PolarHBondContact O-N 3.12Å; H198-Q200 VanDerWaalsContact C-N 3.28Å |
| 199 | E | 51.1 | Low | 63 | Low | 159 Ų | 159 | 86.9 Ų | 86.9 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.6 | 169.7 | -67.8 | -176.6 | 144.5 | 0 | 0 | 114.2 | K91 V197 | K91-E199 IonicContact NZ-OE2 3.45Å; V197-E199 PolarHBondContact O-N 3.16Å |
| 200 | Q | 39.9 | Very low | 60.9 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 20% | 0.196 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -133.3 | 106.1 | 178.9 | -63.1 | -173.1 | 66.3 | 0 | 0 | 109.1 | D92 V197 H198 D202 | D92-Q200 PolarHBondContact OD1-NE2 2.95Å; D92-Q200 PolarHBondContact OD1-OE1 3.38Å; D92-Q200 PolarHBondContact OD2-OE1 3.45Å; V197-Q200 PolarHBondContact O-N 3.31Å; H198-Q200 VanDerWaalsContact C-N 3.28Å; Q200-D202 PolarHBondContact O-N 3.34Å |
| 201 | G | 43.4 | Very low | 58.7 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -69.4 | 38.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 202 | D | 48.2 | Very low | 56.3 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 82% | 0.824 | 52% | 0.519 | S | S | * | . | trans | -166.2 | 98.9 | 165.3 | -89.5 | -34 | 0 | 0 | 0 | 110.2 | Q200 | Q200-D202 PolarHBondContact O-N 3.34Š| ||
| 203 | M | 43.3 | Very low | 54.1 | Low | 65 Ų | 65 | 95 Ų | 95 | 32% | 0.32 | 53% | 0.526 | S | S | . | . | trans | -172.8 | 62.1 | 149.5 | -101.4 | -152.2 | -55.9 | 0 | 0 | 108.9 | D92 N96 | D92-M203 HydrophobicContact CB-CE 4.02Å; N96-M203 WeakPolarHBondContact ND2-CE 3.49Å; N96-M203 PolarHBondContact ND2-SD 3.23Å; N96-M203 WeakPolarHBondContact OD1-CE 3.38Å; N96-M203 PolarHBondContact OD1-SD 3.42Å | ||
| 204 | I | 43.4 | Very low | 51.9 | Low | 156 Ų | 156 | 96.3 Ų | 96.3 | 80% | 0.8 | 54% | 0.538 | S | S | * | . | trans | -114.6 | 68.6 | 164.5 | -55.7 | 177.1 | 0 | 0 | 0 | 105.5 | ||||
| 205 | D | 45.3 | Very low | 49.9 | Very low | 154 Ų | 154 | 101 Ų | 101 | 82% | 0.824 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -158 | 1.3 | 170.5 | -111 | -10.9 | 0 | 0 | 0 | 114.3 | ||
| 206 | S | 46.5 | Very low | 47.9 | Very low | 36 Ų | 36 | 99.7 Ų | 99.7 | 25% | 0.252 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -106.4 | 1 | -173.9 | 45.2 | 0 | 0 | 0 | 0 | 114.8 | N210 | S206-N210 WeakPolarHBondContact O-CB 3.41Å; S206-N210 PolarHBondContact O-N 3.43Å |
| 207 | I | 47.7 | Very low | 46.1 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -34 | 176.9 | -61.3 | 177.5 | 0 | 0 | 0 | 111.1 | ||
| 208 | E | 39.4 | Very low | 45.2 | Very low | 187 Ų | 187 | 104.5 Ų | 104.5 | 87% | 0.874 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -29.2 | 177.9 | -106 | 169.8 | 168.9 | 0 | 0 | 113.3 | ||
| 209 | A | 43.6 | Very low | 44.6 | Very low | 65 Ų | 65 | 103.4 Ų | 103.4 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -23.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V211 | A209-V211 VanDerWaalsContact C-N 3.35Å; A209-V211 PolarHBondContact O-N 2.96Å |
| 210 | N | 49.2 | Very low | 44.3 | Very low | 59 Ų | 59 | 97.9 Ų | 97.9 | 32% | 0.316 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.4 | -174.1 | -109.1 | 17.6 | 0 | 0 | 0 | 115.2 | A100 S206 E212 S213 A214 | A100-N210 HydrophobicContact CB-CB 4.49Å; S206-N210 WeakPolarHBondContact O-CB 3.41Å; S206-N210 PolarHBondContact O-N 3.43Å; N210-E212 VanDerWaalsContact C-N 3.26Å; N210-E212 PolarHBondContact O-N 3.45Å; N210-S213 PolarHBondContact O-N 3.38Å; N210-A214 PolarHBondContact O-N 3.42Å |
| 211 | V | 46.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 96.7 Ų | 96.7 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -27.9 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | A209 | A209-V211 VanDerWaalsContact C-N 3.35Å; A209-V211 PolarHBondContact O-N 2.96Å |
| 212 | E | 38.7 | Very low | 45.1 | Very low | 173 Ų | 173 | 98.1 Ų | 98.1 | 81% | 0.808 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -21 | -179.6 | -164.3 | 159.4 | -167.4 | 0 | 0 | 113.2 | N210 | N210-E212 VanDerWaalsContact C-N 3.26Å; N210-E212 PolarHBondContact O-N 3.45Å |
| 213 | S | 42.9 | Very low | 45.2 | Very low | 48 Ų | 48 | 96.3 Ų | 96.3 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16.5 | -179.3 | -66 | 0 | 0 | 0 | 0 | 114.4 | N210 D215 T216 H217 | N210-S213 PolarHBondContact O-N 3.38Å; S213-D215 VanDerWaalsContact C-N 3.3Å; S213-D215 PolarHBondContact O-N 3.32Å; S213-T216 PolarHBondContact O-N 3.24Å; S213-T216 PolarHBondContact O-OG1 3.49Å; S213-T216 VanDerWaalsContact O-OG1 3.07Å; S213-H217 PolarHBondContact O-N 3.39Å; S213-H217 PolarHBondContact O-ND1 3.07Å |
| 214 | A | 43.2 | Very low | 45.4 | Very low | 38 Ų | 38 | 99 Ų | 99 | 31% | 0.314 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -30.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N210 V218 | N210-A214 PolarHBondContact O-N 3.42Å; A214-V218 VanDerWaalsContact O-CG2 3.24Å; A214-V218 WeakPolarHBondContact O-CG2 3.39Å; A214-V218 PolarHBondContact O-N 2.78Å |
| 215 | D | 41.7 | Very low | 46 | Very low | 137 Ų | 137 | 94.2 Ų | 94.2 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.8 | -33.1 | -178.5 | -154.1 | 34.3 | 0 | 0 | 0 | 112.3 | S213 | S213-D215 VanDerWaalsContact C-N 3.3Å; S213-D215 PolarHBondContact O-N 3.32Å |
| 216 | T | 42.7 | Very low | 46.5 | Very low | 95 Ų | 95 | 89.6 Ų | 89.6 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -79.1 | -22.8 | 175.8 | 43 | 0 | 0 | 0 | 0 | 113.6 | S213 S220 | S213-T216 PolarHBondContact O-N 3.24Å; S213-T216 PolarHBondContact O-OG1 3.49Å; S213-T216 VanDerWaalsContact O-OG1 3.07Å; T216-S220 PolarHBondContact O-OG 3.48Å |
| 217 | H | 44.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 95.2 Ų | 95.2 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -81.1 | -19.7 | 177.2 | -76.9 | 79.5 | 0 | 0 | 0 | 114.1 | S213 S220 G221 | S213-H217 PolarHBondContact O-N 3.39Å; S213-H217 PolarHBondContact O-ND1 3.07Å; H217-S220 WeakPolarHBondContact CA-OG 3.37Å; H217-S220 PolarHBondContact O-OG 3.5Å; H217-G221 PolarHBondContact O-N 2.93Å |
| 218 | V | 51.7 | Low | 47 | Very low | 29 Ų | 29 | 92.3 Ų | 92.3 | 18% | 0.176 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | T28 A214 G221 Q222 | T28-V218 HydrophobicContact CG2-CG2 3.61Å; A214-V218 VanDerWaalsContact O-CG2 3.24Å; A214-V218 WeakPolarHBondContact O-CG2 3.39Å; A214-V218 PolarHBondContact O-N 2.78Å; V218-G221 PolarHBondContact O-N 3.08Å; V218-Q222 PolarHBondContact O-N 3.47Å; V218-Q222 VanDerWaalsContact O-N 3.08Å |
| 219 | Q | 43 | Very low | 47.8 | Very low | 150 Ų | 150 | 86 Ų | 86 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.2 | -36.9 | -178.3 | -151.1 | -179.6 | 29.9 | 0 | 0 | 112 | Q223 | Q219-Q223 PolarHBondContact O-N 2.95Å |
| 220 | S | 45.6 | Very low | 48.6 | Very low | 43 Ų | 43 | 89.6 Ų | 89.6 | 30% | 0.301 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.2 | -35.6 | 175.2 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | T216 H217 Q223 Q224 | T216-S220 PolarHBondContact O-OG 3.48Å; H217-S220 WeakPolarHBondContact CA-OG 3.37Å; H217-S220 PolarHBondContact O-OG 3.5Å; S220-Q223 PolarHBondContact O-N 2.89Å; S220-Q224 WeakPolarHBondContact O-CG 3.49Å; S220-Q224 PolarHBondContact O-N 3.32Å |
| 221 | G | 48.8 | Very low | 48.9 | Very low | 16 Ų | 16 | 94.4 Ų | 94.4 | 17% | 0.165 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | H217 V218 Q224 L225 | H217-G221 PolarHBondContact O-N 2.93Å; V218-G221 PolarHBondContact O-N 3.08Å; G221-Q224 PolarHBondContact O-N 3.45Å; G221-L225 WeakPolarHBondContact O-CB 3.28Å; G221-L225 PolarHBondContact O-N 2.91Å |
| 222 | Q | 52.1 | Low | 48.9 | Very low | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 172.2 | -82.4 | -167.4 | -14 | 0 | 0 | 112.2 | L29 V218 L225 A226 | L29-Q222 HydrophobicContact CD2-CG 3.46Å; L29-Q222 VanDerWaalsContact CD2-CG 3.46Å; V218-Q222 PolarHBondContact O-N 3.47Å; V218-Q222 VanDerWaalsContact O-N 3.08Å; Q222-L225 PolarHBondContact O-N 3.43Å; Q222-A226 VanDerWaalsContact O-CB 3.28Å; Q222-A226 WeakPolarHBondContact O-CB 3.39Å; Q222-A226 PolarHBondContact O-N 3.19Å |
| 223 | Q | 50.3 | Low | 50 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.9 | -81.4 | -173.7 | 4 | 0 | 0 | 112.3 | Q219 S220 R227 | Q219-Q223 PolarHBondContact O-N 2.95Å; S220-Q223 PolarHBondContact O-N 2.89Å; Q223-R227 WeakPolarHBondContact O-CB 3.42Å; Q223-R227 VanDerWaalsContact O-CG 3.26Å; Q223-R227 WeakPolarHBondContact O-CG 3.34Å; Q223-R227 PolarHBondContact O-N 3.47Å |
| 224 | Q | 46.2 | Very low | 50.9 | Low | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.9 | -39 | 177.9 | -72.5 | -177.3 | 27.2 | 0 | 0 | 112.3 | S220 G221 R227 A228 | S220-Q224 WeakPolarHBondContact O-CG 3.49Å; S220-Q224 PolarHBondContact O-N 3.32Å; G221-Q224 PolarHBondContact O-N 3.45Å; Q224-R227 PolarHBondContact O-N 2.8Å; Q224-A228 VanDerWaalsContact O-CB 3.28Å; Q224-A228 WeakPolarHBondContact O-CB 3.34Å; Q224-A228 PolarHBondContact O-N 3.32Å |
| 225 | L | 56.3 | Low | 51.6 | Low | 56 Ų | 56 | 96 Ų | 96 | 29% | 0.293 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 173.9 | -78.9 | 167.8 | 0 | 0 | 0 | 112.4 | Q25 L29 G221 Q222 A228 A229 | Q25-L225 HydrophobicContact CB-CD1 4.2Å; L29-L225 HydrophobicContact CD1-CD1 3.71Å; G221-L225 WeakPolarHBondContact O-CB 3.28Å; G221-L225 PolarHBondContact O-N 2.91Å; Q222-L225 PolarHBondContact O-N 3.43Å; L225-A228 PolarHBondContact O-N 2.91Å; L225-A229 WeakPolarHBondContact O-CB 3.28Å; L225-A229 PolarHBondContact O-N 2.75Å |
| 226 | A | 56.7 | Low | 52.9 | Low | 57 Ų | 57 | 96.7 Ų | 96.7 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q222 A229 E230 | Q222-A226 VanDerWaalsContact O-CB 3.28Å; Q222-A226 WeakPolarHBondContact O-CB 3.39Å; Q222-A226 PolarHBondContact O-N 3.19Å; A226-A229 PolarHBondContact O-N 3.44Å; A226-E230 PolarHBondContact O-N 3.35Å |
| 227 | R | 54.2 | Low | 54.2 | Low | 154 Ų | 154 | 98.7 Ų | 98.7 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 174.3 | -75.6 | -178.4 | -174.3 | -168.9 | 4.9 | 111.9 | Q223 Q224 A229 E230 Y231 | Q223-R227 WeakPolarHBondContact O-CB 3.42Å; Q223-R227 VanDerWaalsContact O-CG 3.26Å; Q223-R227 WeakPolarHBondContact O-CG 3.34Å; Q223-R227 PolarHBondContact O-N 3.47Å; Q224-R227 PolarHBondContact O-N 2.8Å; R227-A229 VanDerWaalsContact C-N 3.34Å; R227-A229 PolarHBondContact O-N 2.87Å; R227-E230 PolarHBondContact O-N 2.79Å; R227-Y231 WeakPolarHBondContact O-CB 3.23Å; R227-Y231 VanDerWaalsContact O-CD2 3.23Å; R227-Y231 WeakPolarHBondContact O-CD2 3.26Å; R227-Y231 PolarHBondContact O-N 2.99Å |
| 228 | A | 51 | Low | 55.5 | Low | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q224 L225 Y231 Q232 | Q224-A228 VanDerWaalsContact O-CB 3.28Å; Q224-A228 WeakPolarHBondContact O-CB 3.34Å; Q224-A228 PolarHBondContact O-N 3.32Å; L225-A228 PolarHBondContact O-N 2.91Å; A228-Y231 PolarHBondContact O-N 3.46Å; A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.33Å |
| 229 | A | 54.4 | Low | 56.6 | Low | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L225 A226 R227 Q232 R233 | L225-A229 WeakPolarHBondContact O-CB 3.28Å; L225-A229 PolarHBondContact O-N 2.75Å; A226-A229 PolarHBondContact O-N 3.44Å; R227-A229 VanDerWaalsContact C-N 3.34Å; R227-A229 PolarHBondContact O-N 2.87Å; A229-Q232 PolarHBondContact O-N 3.24Å; A229-R233 WeakPolarHBondContact O-CB 3.32Å; A229-R233 PolarHBondContact O-N 2.91Å |
| 230 | E | 60.2 | Low | 58.2 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 172.8 | -79 | -173.1 | 150.1 | 0 | 0 | 112.9 | A226 R227 R233 S234 | A226-E230 PolarHBondContact O-N 3.35Å; R227-E230 PolarHBondContact O-N 2.79Å; E230-R233 PolarHBondContact O-N 3.41Å; E230-S234 WeakPolarHBondContact O-CB 3.44Å; E230-S234 PolarHBondContact O-N 3.46Å; E230-S234 PolarHBondContact O-OG 3.22Å; E230-S234 VanDerWaalsContact O-OG 3.04Å |
| 231 | Y | 56.2 | Low | 60 | Low | 161 Ų | 161 | 102.6 Ų | 102.6 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 174 | -91.5 | -72.4 | 0 | 0 | 0 | 111.7 | R227 A228 R233 S234 S235 | R227-Y231 WeakPolarHBondContact O-CB 3.23Å; R227-Y231 VanDerWaalsContact O-CD2 3.23Å; R227-Y231 WeakPolarHBondContact O-CD2 3.26Å; R227-Y231 PolarHBondContact O-N 2.99Å; A228-Y231 PolarHBondContact O-N 3.46Å; Y231-R233 VanDerWaalsContact C-N 3.32Å; Y231-R233 PolarHBondContact O-N 3.36Å; Y231-S234 WeakPolarHBondContact CA-OG 3.41Å; Y231-S234 PolarHBondContact O-N 2.9Å; Y231-S234 PolarHBondContact O-OG 2.94Å; Y231-S235 VanDerWaalsContact O-CB 3.32Å; Y231-S235 WeakPolarHBondContact O-CB 3.42Å; Y231-S235 PolarHBondContact O-N 3.41Å; Y231-S235 PolarHBondContact O-OG 3.27Å |
| 232 | Q | 46.4 | Very low | 61.8 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -32.2 | 176.4 | -160.3 | -175 | 27.8 | 0 | 0 | 112 | A228 A229 R236 | A228-Q232 WeakPolarHBondContact O-CB 3.3Å; A228-Q232 PolarHBondContact O-N 3.33Å; A229-Q232 PolarHBondContact O-N 3.24Å; Q232-R236 WeakPolarHBondContact O-CG 3.45Å; Q232-R236 PolarHBondContact O-NE 3.04Å; Q232-R236 VanDerWaalsContact O-NE 3.08Å |
| 233 | R | 62.7 | Low | 63.4 | Low | 176 Ų | 176 | 106.6 Ų | 106.6 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.5 | -39.2 | 175.3 | -167 | 174.9 | -173.9 | 173.4 | 1.3 | 112.1 | A229 E230 Y231 | A229-R233 WeakPolarHBondContact O-CB 3.32Å; A229-R233 PolarHBondContact O-N 2.91Å; E230-R233 PolarHBondContact O-N 3.41Å; Y231-R233 VanDerWaalsContact C-N 3.32Å; Y231-R233 PolarHBondContact O-N 3.36Å |
| 234 | S | 60 | Low | 65.3 | Low | 40 Ų | 40 | 106.3 Ų | 106.3 | 28% | 0.28 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.4 | -33.7 | 178.1 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | E230 Y231 R236 K237 K238 | E230-S234 WeakPolarHBondContact O-CB 3.44Å; E230-S234 PolarHBondContact O-N 3.46Å; E230-S234 PolarHBondContact O-OG 3.22Å; E230-S234 VanDerWaalsContact O-OG 3.04Å; Y231-S234 WeakPolarHBondContact CA-OG 3.41Å; Y231-S234 PolarHBondContact O-N 2.9Å; Y231-S234 PolarHBondContact O-OG 2.94Å; S234-R236 PolarHBondContact O-N 2.99Å; S234-K237 PolarHBondContact O-N 3.22Å; S234-K238 WeakPolarHBondContact O-CG 3.43Å; S234-K238 PolarHBondContact O-N 3.05Å |
| 235 | S | 58.3 | Low | 67.5 | Low | 54 Ų | 54 | 104.8 Ų | 104.8 | 38% | 0.378 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | Y231 K237 K238 I239 | Y231-S235 VanDerWaalsContact O-CB 3.32Å; Y231-S235 WeakPolarHBondContact O-CB 3.42Å; Y231-S235 PolarHBondContact O-N 3.41Å; Y231-S235 PolarHBondContact O-OG 3.27Å; S235-K237 VanDerWaalsContact C-N 3.33Å; S235-K237 PolarHBondContact O-N 2.87Å; S235-K238 PolarHBondContact O-N 3.02Å; S235-I239 VanDerWaalsContact O-CG1 3.3Å; S235-I239 WeakPolarHBondContact O-CG1 3.33Å; S235-I239 PolarHBondContact O-N 3.46Å |
| 236 | R | 69.5 | Low | 69.1 | Low | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.4 | -39.8 | 173.9 | -75.1 | -179.5 | -93.2 | -167.1 | -6.2 | 112.7 | Q232 S234 C240 | Q232-R236 WeakPolarHBondContact O-CG 3.45Å; Q232-R236 PolarHBondContact O-NE 3.04Å; Q232-R236 VanDerWaalsContact O-NE 3.08Å; S234-R236 PolarHBondContact O-N 2.99Å; R236-C240 PolarHBondContact O-N 3.36Å; R236-C240 VanDerWaalsContact O-N 3.13Å |
| 237 | K | 70.3 | Confident | 70.7 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 175.6 | -65.5 | -178.6 | 179.2 | -176.5 | 0 | 111.8 | S234 S235 C240 I241 | S234-K237 PolarHBondContact O-N 3.22Å; S235-K237 VanDerWaalsContact C-N 3.33Å; S235-K237 PolarHBondContact O-N 2.87Å; K237-C240 PolarHBondContact O-N 3.3Å; K237-I241 WeakPolarHBondContact O-CG1 3.43Å; K237-I241 PolarHBondContact O-N 3.45Å |
| 238 | K | 71.3 | Confident | 72.6 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 177.8 | -68.7 | 176.7 | -177.5 | -179.5 | 0 | 112.1 | S234 S235 I241 L242 | S234-K238 WeakPolarHBondContact O-CG 3.43Å; S234-K238 PolarHBondContact O-N 3.05Å; S235-K238 PolarHBondContact O-N 3.02Å; K238-I241 PolarHBondContact O-N 3.04Å; K238-L242 WeakPolarHBondContact O-CB 3.45Å; K238-L242 PolarHBondContact O-N 3.35Å |
| 239 | I | 75 | Confident | 74.6 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.7 | -70.9 | 167.6 | 0 | 0 | 0 | 110.9 | S235 I241 L242 L243 | S235-I239 VanDerWaalsContact O-CG1 3.3Å; S235-I239 WeakPolarHBondContact O-CG1 3.33Å; S235-I239 PolarHBondContact O-N 3.46Å; I239-I241 PolarHBondContact O-N 3.02Å; I239-L242 PolarHBondContact O-N 3.44Å; I239-L243 HydrophobicContact CG2-CD1 4.37Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 3.43Å |
| 240 | C | 76.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 103.7 Ų | 103.7 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.1 | -79 | 0 | 0 | 0 | 0 | 112.7 | R236 K237 L243 I244 | R236-C240 PolarHBondContact O-N 3.36Å; R236-C240 VanDerWaalsContact O-N 3.13Å; K237-C240 PolarHBondContact O-N 3.3Å; C240-L243 PolarHBondContact O-N 3.09Å; C240-I244 WeakPolarHBondContact O-CG1 3.4Å; C240-I244 PolarHBondContact O-N 2.99Å; C240-I244 VanDerWaalsContact O-N 3.09Å |
| 241 | I | 83.6 | Confident | 77.9 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 177.7 | -68 | 166.4 | 0 | 0 | 0 | 110.6 | K237 K238 I239 L243 I244 V245 | K237-I241 WeakPolarHBondContact O-CG1 3.43Å; K237-I241 PolarHBondContact O-N 3.45Å; K238-I241 PolarHBondContact O-N 3.04Å; I239-I241 PolarHBondContact O-N 3.02Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 3.25Å; I241-I244 PolarHBondContact O-N 2.95Å; I241-V245 WeakPolarHBondContact O-CG2 3.41Å; I241-V245 PolarHBondContact O-N 3.34Å |
| 242 | L | 85.8 | Confident | 79.7 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 178 | -169.2 | 156.2 | 0 | 0 | 0 | 111.7 | K238 I239 I244 V245 L246 | K238-L242 WeakPolarHBondContact O-CB 3.45Å; K238-L242 PolarHBondContact O-N 3.35Å; I239-L242 PolarHBondContact O-N 3.44Å; L242-I244 PolarHBondContact O-N 3.36Å; L242-V245 PolarHBondContact O-N 3.13Å; L242-L246 HydrophobicContact CD2-CD1 3.59Å; L242-L246 HydrophobicContact CD2-CG 4.12Å; L242-L246 PolarHBondContact O-N 2.97Å |
| 243 | L | 86.4 | Confident | 82 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 176.3 | -72.1 | 177.4 | 0 | 0 | 0 | 112.7 | I239 C240 I241 L246 A247 | I239-L243 HydrophobicContact CG2-CD1 4.37Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 3.43Å; C240-L243 PolarHBondContact O-N 3.09Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 3.25Å; L243-L246 PolarHBondContact O-N 3.32Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 3.49Å |
| 244 | I | 89.6 | Confident | 83.4 | Confident | 111 Ų | 111 | 89.6 Ų | 89.6 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 176.3 | -67.4 | 166.7 | 0 | 0 | 0 | 110.5 | C240 I241 L242 L246 A247 V248 | C240-I244 WeakPolarHBondContact O-CG1 3.4Å; C240-I244 PolarHBondContact O-N 2.99Å; C240-I244 VanDerWaalsContact O-N 3.09Å; I241-I244 PolarHBondContact O-N 2.95Å; L242-I244 PolarHBondContact O-N 3.36Å; I244-L246 PolarHBondContact O-N 3.34Å; I244-A247 PolarHBondContact O-N 3.46Å; I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.41Å |
| 245 | V | 92 | Very high | 84.9 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I241 L242 V248 A249 | I241-V245 WeakPolarHBondContact O-CG2 3.41Å; I241-V245 PolarHBondContact O-N 3.34Å; L242-V245 PolarHBondContact O-N 3.13Å; V245-V248 PolarHBondContact O-N 2.93Å; V245-A249 WeakPolarHBondContact O-CB 3.43Å; V245-A249 PolarHBondContact O-N 2.97Å |
| 246 | L | 90.6 | Very high | 86.6 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176 | -77.2 | 178.8 | 0 | 0 | 0 | 112.5 | L242 L243 I244 A249 A250 | L242-L246 HydrophobicContact CD2-CD1 3.59Å; L242-L246 HydrophobicContact CD2-CG 4.12Å; L242-L246 PolarHBondContact O-N 2.97Å; L243-L246 PolarHBondContact O-N 3.32Å; I244-L246 PolarHBondContact O-N 3.34Å; L246-A249 PolarHBondContact O-N 3.4Å; L246-A250 WeakPolarHBondContact O-CB 3.38Å; L246-A250 PolarHBondContact O-N 3.39Å |
| 247 | A | 91.2 | Very high | 87.6 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L243 I244 A250 V251 | L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 3.49Å; I244-A247 PolarHBondContact O-N 3.46Å; A247-A250 PolarHBondContact O-N 2.99Å; A247-V251 WeakPolarHBondContact O-CG2 3.35Å; A247-V251 PolarHBondContact O-N 3.42Å |
| 248 | V | 93.8 | Very high | 88.6 | Confident | 86 Ų | 86 | 93.8 Ų | 93.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | I244 V245 A250 V251 V252 | I244-V248 WeakPolarHBondContact O-CG2 3.36Å; I244-V248 PolarHBondContact O-N 3.41Å; V245-V248 PolarHBondContact O-N 2.93Å; V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 PolarHBondContact O-N 3.02Å; V248-V251 PolarHBondContact O-N 3.28Å; V248-V252 HydrophobicContact CG1-CG2 4.44Å; V248-V252 WeakPolarHBondContact O-CG2 3.24Å; V248-V252 PolarHBondContact O-N 3.49Å |
| 249 | A | 91.8 | Very high | 89.4 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V245 L246 V251 V252 I253 | V245-A249 WeakPolarHBondContact O-CB 3.43Å; V245-A249 PolarHBondContact O-N 2.97Å; L246-A249 PolarHBondContact O-N 3.4Å; A249-V251 PolarHBondContact O-N 2.96Å; A249-V252 PolarHBondContact O-N 3.26Å; A249-I253 WeakPolarHBondContact O-CB 3.49Å; A249-I253 WeakPolarHBondContact O-CD1 3.39Å; A249-I253 VanDerWaalsContact O-CG1 3.24Å; A249-I253 WeakPolarHBondContact O-CG1 3.44Å; A249-I253 PolarHBondContact O-N 3.48Å |
| 250 | A | 91.9 | Very high | 90 | Very high | 62 Ų | 62 | 87.7 Ų | 87.7 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L246 A247 V248 G254 | L246-A250 WeakPolarHBondContact O-CB 3.38Å; L246-A250 PolarHBondContact O-N 3.39Å; A247-A250 PolarHBondContact O-N 2.99Å; V248-A250 VanDerWaalsContact C-N 3.32Å; V248-A250 PolarHBondContact O-N 3.02Å; A250-G254 PolarHBondContact O-N 2.94Å |
| 251 | V | 93.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 90.8 Ų | 90.8 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.3 | -46 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | A247 V248 A249 I253 G254 L255 | A247-V251 WeakPolarHBondContact O-CG2 3.35Å; A247-V251 PolarHBondContact O-N 3.42Å; V248-V251 PolarHBondContact O-N 3.28Å; A249-V251 PolarHBondContact O-N 2.96Å; V251-I253 PolarHBondContact O-N 2.95Å; V251-G254 PolarHBondContact O-N 3.46Å; V251-L255 HydrophobicContact CG1-CD1 4.18Å; V251-L255 HydrophobicContact CG1-CG 4.49Å; V251-L255 WeakPolarHBondContact O-CG 3.49Å; V251-L255 PolarHBondContact O-N 3.48Å |
| 252 | V | 94.4 | Very high | 90 | Very high | 74 Ų | 74 | 92.7 Ų | 92.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V248 A249 G254 L255 I256 | V248-V252 HydrophobicContact CG1-CG2 4.44Å; V248-V252 WeakPolarHBondContact O-CG2 3.24Å; V248-V252 PolarHBondContact O-N 3.49Å; A249-V252 PolarHBondContact O-N 3.26Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.23Å; V252-L255 PolarHBondContact O-N 3.22Å; V252-I256 HydrophobicContact CG1-CD1 3.93Å; V252-I256 WeakPolarHBondContact O-CG1 3.38Å; V252-I256 PolarHBondContact O-N 3.22Å |
| 253 | I | 93.9 | Very high | 88.9 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -44.2 | 176.4 | -68 | 166.3 | 0 | 0 | 0 | 110.5 | A249 V251 L255 I256 I257 | A249-I253 WeakPolarHBondContact O-CB 3.49Å; A249-I253 WeakPolarHBondContact O-CD1 3.39Å; A249-I253 VanDerWaalsContact O-CG1 3.24Å; A249-I253 WeakPolarHBondContact O-CG1 3.44Å; A249-I253 PolarHBondContact O-N 3.48Å; V251-I253 PolarHBondContact O-N 2.95Å; I253-L255 VanDerWaalsContact C-N 3.34Å; I253-L255 PolarHBondContact O-N 3.04Å; I253-I256 PolarHBondContact O-N 3.34Å; I253-I257 HydrophobicContact CG2-CD1 3.77Å; I253-I257 HydrophobicContact CG2-CG1 4.48Å; I253-I257 WeakPolarHBondContact O-CG1 3.43Å; I253-I257 PolarHBondContact O-N 3.47Å |
| 254 | G | 91.7 | Very high | 89.1 | Confident | 38 Ų | 38 | 96.9 Ų | 96.9 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.8 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A250 V251 V252 I257 W258 | A250-G254 PolarHBondContact O-N 2.94Å; V251-G254 PolarHBondContact O-N 3.46Å; V252-G254 VanDerWaalsContact C-N 3.33Å; V252-G254 PolarHBondContact O-N 3.23Å; G254-I257 PolarHBondContact O-N 2.93Å; G254-W258 WeakPolarHBondContact O-CB 3.37Å; G254-W258 PolarHBondContact O-N 2.98Å |
| 255 | L | 92.4 | Very high | 89 | Confident | 109 Ų | 109 | 96.1 Ų | 96.1 | 57% | 0.571 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -39.7 | 177.5 | -70.8 | 174.5 | 0 | 0 | 0 | 112.5 | V251 V252 I253 W258 G259 | V251-L255 HydrophobicContact CG1-CD1 4.18Å; V251-L255 HydrophobicContact CG1-CG 4.49Å; V251-L255 WeakPolarHBondContact O-CG 3.49Å; V251-L255 PolarHBondContact O-N 3.48Å; V252-L255 PolarHBondContact O-N 3.22Å; I253-L255 VanDerWaalsContact C-N 3.34Å; I253-L255 PolarHBondContact O-N 3.04Å; L255-W258 PolarHBondContact O-N 3.03Å; L255-G259 PolarHBondContact O-N 3.38Å |
| 256 | I | 92.6 | Very high | 88.9 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.4 | -46.5 | 176.8 | -67.9 | 166.3 | 0 | 0 | 0 | 110.2 | V252 I253 G259 S260 | V252-I256 HydrophobicContact CG1-CD1 3.93Å; V252-I256 WeakPolarHBondContact O-CG1 3.38Å; V252-I256 PolarHBondContact O-N 3.22Å; I253-I256 PolarHBondContact O-N 3.34Å; I256-G259 PolarHBondContact O-N 3.48Å; I256-S260 WeakPolarHBondContact O-CB 3.34Å; I256-S260 PolarHBondContact O-N 3.24Å |
| 257 | I | 91.8 | Very high | 88.8 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 48% | 0.477 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.7 | -47 | 178.4 | -67 | 169.4 | 0 | 0 | 0 | 110.2 | I253 G254 G259 S260 L261 | I253-I257 HydrophobicContact CG2-CD1 3.77Å; I253-I257 HydrophobicContact CG2-CG1 4.48Å; I253-I257 WeakPolarHBondContact O-CG1 3.43Å; I253-I257 PolarHBondContact O-N 3.47Å; G254-I257 PolarHBondContact O-N 2.93Å; I257-G259 PolarHBondContact O-N 3.24Å; I257-S260 PolarHBondContact O-N 3.45Å; I257-L261 HydrophobicContact CG2-CD1 3.67Å; I257-L261 WeakPolarHBondContact O-CD1 3.33Å; I257-L261 PolarHBondContact O-N 3.02Å |
| 258 | W | 90.6 | Very high | 88.6 | Confident | 157 Ų | 157 | 98.4 Ų | 98.4 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.5 | -42.3 | 178.3 | -179.2 | 79 | 0 | 0 | 0 | 112.8 | G254 L255 L261 K262 | G254-W258 WeakPolarHBondContact O-CB 3.37Å; G254-W258 PolarHBondContact O-N 2.98Å; L255-W258 PolarHBondContact O-N 3.03Å; W258-L261 PolarHBondContact O-N 3.3Å; W258-K262 HydrophobicContact CH2-CD 3.89Å; W258-K262 HydrophobicContact CZ2-CD 3.76Å; W258-K262 HydrophobicContact CZ3-CD 4.44Å; W258-K262 WeakPolarHBondContact O-CB 3.38Å; W258-K262 PolarHBondContact O-N 3.05Å |
| 259 | G | 88.1 | Confident | 88.3 | Confident | 27 Ų | 27 | 99.2 Ų | 99.2 | 28% | 0.278 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L255 I256 I257 L261 K262 N263 | L255-G259 PolarHBondContact O-N 3.38Å; I256-G259 PolarHBondContact O-N 3.48Å; I257-G259 PolarHBondContact O-N 3.24Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.41Å; G259-K262 PolarHBondContact O-N 2.89Å; G259-N263 PolarHBondContact O-N 2.94Å |
| 260 | S | 87.3 | Confident | 88 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.8 | -22.5 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 114.1 | I256 I257 | I256-S260 WeakPolarHBondContact O-CB 3.34Å; I256-S260 PolarHBondContact O-N 3.24Å; I257-S260 PolarHBondContact O-N 3.45Å |
| 261 | L | 82.3 | Confident | 87.7 | Confident | 141 Ų | 141 | 106.3 Ų | 106.3 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -86.6 | -18.3 | 175.9 | -96.7 | 138 | 0 | 0 | 0 | 112.9 | I257 W258 G259 | I257-L261 HydrophobicContact CG2-CD1 3.67Å; I257-L261 WeakPolarHBondContact O-CD1 3.33Å; I257-L261 PolarHBondContact O-N 3.02Å; W258-L261 PolarHBondContact O-N 3.3Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.41Å |
| 262 | K | 78.4 | Confident | 87.3 | Confident | 149 Ų | 149 | 107.3 Ų | 107.3 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -98.4 | -21 | -176.2 | -166.5 | 176.3 | 179.2 | -171.3 | 0 | 113.2 | W258 G259 | W258-K262 HydrophobicContact CH2-CD 3.89Å; W258-K262 HydrophobicContact CZ2-CD 3.76Å; W258-K262 HydrophobicContact CZ3-CD 4.44Å; W258-K262 WeakPolarHBondContact O-CB 3.38Å; W258-K262 PolarHBondContact O-N 3.05Å; G259-K262 PolarHBondContact O-N 2.89Å |
| 263 | N | 63.6 | Low | 86.6 | Confident | 200 Ų | 200 | 110.4 Ų | 110.4 | 100% | 1.07 | 59% | 0.588 | S | S | * | * | trans | -86.4 | 0 | 167.1 | -78.3 | -5 | 0 | 0 | 0 | 110.7 | G259 | G259-N263 PolarHBondContact O-N 2.94Š|
Retrieved 263 of 263 residues in 330.2 ms
(Link to these results)