| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.4 | Low | 70.1 | Confident | 195 Ų | 195 | 125.6 Ų | 125.6 | 96% | 0.961 | 61% | 0.61 | S | S | * | * | 0 | -39 | 0 | -158.1 | 168.1 | 156.1 | 0 | 0 | 110.9 | |||||
| 2 | E | 57 | Low | 71.1 | Confident | 165 Ų | 165 | 123 Ų | 123 | 77% | 0.771 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.5 | -30.8 | 175.9 | -68.7 | 178 | 157.7 | 0 | 0 | 115.2 | D5 V6 | E2-D5 PolarHBondContact O-N 2.83Å; E2-V6 WeakPolarHBondContact O-CG2 3.28Å; E2-V6 PolarHBondContact O-N 3.21Å |
| 3 | E | 57.5 | Low | 72.1 | Confident | 171 Ų | 171 | 122.9 Ų | 122.9 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -32.6 | 179.3 | -73.9 | -179.4 | 155.8 | 0 | 0 | 113.6 | T7 | E3-T7 PolarHBondContact O-N 3Å; E3-T7 PolarHBondContact O-OG1 3.38Å |
| 4 | D | 64.2 | Low | 72.9 | Confident | 107 Ų | 107 | 122.8 Ų | 122.8 | 57% | 0.572 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | 176 | -67.2 | -40.3 | 0 | 0 | 0 | 111.3 | T7 I8 | D4-T7 WeakPolarHBondContact CA-OG1 3.47Å; D4-T7 PolarHBondContact O-N 3.34Å; D4-T7 PolarHBondContact O-OG1 3.03Å; D4-I8 WeakPolarHBondContact O-CB 3.46Å; D4-I8 VanDerWaalsContact O-CD1 3.3Å; D4-I8 WeakPolarHBondContact O-CD1 3.48Å; D4-I8 WeakPolarHBondContact O-CG1 3.47Å; D4-I8 PolarHBondContact O-N 3.44Å |
| 5 | D | 67.5 | Low | 73.4 | Confident | 87 Ų | 87 | 116.3 Ų | 116.3 | 47% | 0.465 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.1 | -36 | 178.9 | -74.8 | -23.5 | 0 | 0 | 0 | 112.8 | E2 R9 | E2-D5 PolarHBondContact O-N 2.83Å; D5-R9 WeakPolarHBondContact O-CB 3.38Å; D5-R9 PolarHBondContact O-N 2.89Å; D5-R9 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 68.9 | Low | 73.9 | Confident | 79 Ų | 79 | 115.3 Ų | 115.3 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.6 | -44.4 | 176.9 | 176 | 0 | 0 | 0 | 0 | 110.5 | E2 R9 E10 | E2-V6 WeakPolarHBondContact O-CG2 3.28Å; E2-V6 PolarHBondContact O-N 3.21Å; V6-R9 PolarHBondContact O-N 2.92Å; V6-E10 WeakPolarHBondContact O-CG 3.4Å; V6-E10 PolarHBondContact O-N 3.48Å |
| 7 | T | 78.4 | Confident | 74.7 | Confident | 65 Ų | 65 | 111.7 Ų | 111.7 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 178.9 | 46.7 | 0 | 0 | 0 | 0 | 112.6 | E3 D4 E10 Q11 | E3-T7 PolarHBondContact O-N 3Å; E3-T7 PolarHBondContact O-OG1 3.38Å; D4-T7 WeakPolarHBondContact CA-OG1 3.47Å; D4-T7 PolarHBondContact O-N 3.34Å; D4-T7 PolarHBondContact O-OG1 3.03Å; T7-E10 PolarHBondContact O-N 3.43Å; T7-Q11 VanDerWaalsContact O-CG 3.31Å; T7-Q11 WeakPolarHBondContact O-CG 3.41Å; T7-Q11 PolarHBondContact O-N 3.22Å |
| 8 | I | 79.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 110.1 Ų | 110.1 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 172.8 | -68.7 | 163.4 | 0 | 0 | 0 | 111.1 | D4 Q11 N12 | D4-I8 WeakPolarHBondContact O-CB 3.46Å; D4-I8 VanDerWaalsContact O-CD1 3.3Å; D4-I8 WeakPolarHBondContact O-CD1 3.48Å; D4-I8 WeakPolarHBondContact O-CG1 3.47Å; D4-I8 PolarHBondContact O-N 3.44Å; I8-Q11 PolarHBondContact O-N 3.24Å; I8-N12 PolarHBondContact O-N 3.39Å |
| 9 | R | 81.4 | Confident | 75.8 | Confident | 186 Ų | 186 | 105.9 Ų | 105.9 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 178.7 | -169.7 | -178.4 | -60.1 | -175 | 2.2 | 112 | D5 V6 N12 F13 | D5-R9 WeakPolarHBondContact O-CB 3.38Å; D5-R9 PolarHBondContact O-N 2.89Å; D5-R9 VanDerWaalsContact O-N 3.1Å; V6-R9 PolarHBondContact O-N 2.92Å; R9-N12 PolarHBondContact O-N 3.42Å; R9-F13 WeakPolarHBondContact O-CB 3.34Å; R9-F13 PolarHBondContact O-N 3.48Å |
| 10 | E | 81.8 | Confident | 76.4 | Confident | 109 Ų | 109 | 108.3 Ų | 108.3 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -73.7 | -179.9 | 175.8 | 0 | 0 | 111.8 | V6 T7 N12 F13 H14 | V6-E10 WeakPolarHBondContact O-CG 3.4Å; V6-E10 PolarHBondContact O-N 3.48Å; T7-E10 PolarHBondContact O-N 3.43Å; E10-N12 PolarHBondContact O-N 3.17Å; E10-F13 PolarHBondContact O-N 2.92Å; E10-H14 PolarHBondContact O-CD2 3Å; E10-H14 PolarHBondContact O-N 2.83Å |
| 11 | Q | 79.1 | Confident | 77 | Confident | 135 Ų | 135 | 107.6 Ų | 107.6 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 176 | -74.5 | 177.5 | 6.8 | 0 | 0 | 112.3 | T7 I8 H14 S15 | T7-Q11 VanDerWaalsContact O-CG 3.31Å; T7-Q11 WeakPolarHBondContact O-CG 3.41Å; T7-Q11 PolarHBondContact O-N 3.22Å; I8-Q11 PolarHBondContact O-N 3.24Å; Q11-H14 PolarHBondContact O-N 3.21Å; Q11-S15 WeakPolarHBondContact O-CB 3.42Å; Q11-S15 PolarHBondContact O-N 3.18Å |
| 12 | N | 81.8 | Confident | 78.6 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176 | -77.9 | -21.1 | 0 | 0 | 0 | 111.9 | I8 R9 E10 S15 Q16 | I8-N12 PolarHBondContact O-N 3.39Å; R9-N12 PolarHBondContact O-N 3.42Å; E10-N12 PolarHBondContact O-N 3.17Å; N12-S15 PolarHBondContact O-N 2.77Å; N12-Q16 WeakPolarHBondContact O-CG 3.33Å; N12-Q16 PolarHBondContact O-N 3.2Å |
| 13 | F | 84.8 | Confident | 80 | Confident | 122 Ų | 122 | 92.5 Ų | 92.5 | 54% | 0.535 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 176.1 | 176.7 | -100.8 | 0 | 0 | 0 | 111.6 | R9 E10 S15 Q16 V17 | R9-F13 WeakPolarHBondContact O-CB 3.34Å; R9-F13 PolarHBondContact O-N 3.48Å; E10-F13 PolarHBondContact O-N 2.92Å; F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 2.76Å; F13-Q16 PolarHBondContact O-N 3.06Å; F13-V17 HydrophobicContact CD1-CG2 4.28Å; F13-V17 HydrophobicContact CD2-CG2 4.32Å; F13-V17 HydrophobicContact CE1-CG2 3.87Å; F13-V17 HydrophobicContact CE2-CG2 3.92Å; F13-V17 HydrophobicContact CG-CG2 4.49Å; F13-V17 HydrophobicContact CZ-CG2 3.68Å; F13-V17 WeakPolarHBondContact O-CG2 3.28Å; F13-V17 PolarHBondContact O-N 2.7Å |
| 14 | H | 82.9 | Confident | 81.6 | Confident | 121 Ų | 121 | 91 Ų | 91 | 56% | 0.56 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 177.4 | -74.1 | -59 | 0 | 0 | 0 | 112.6 | E10 Q11 R18 | E10-H14 PolarHBondContact O-CD2 3Å; E10-H14 PolarHBondContact O-N 2.83Å; Q11-H14 PolarHBondContact O-N 3.21Å; H14-R18 VanDerWaalsContact O-CB 3.28Å; H14-R18 WeakPolarHBondContact O-CB 3.44Å; H14-R18 PolarHBondContact O-N 3.18Å |
| 15 | S | 79.8 | Confident | 83 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 18% | 0.175 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 174.5 | -162.6 | 0 | 0 | 0 | 0 | 111.6 | Q11 N12 F13 R18 E19 | Q11-S15 WeakPolarHBondContact O-CB 3.42Å; Q11-S15 PolarHBondContact O-N 3.18Å; N12-S15 PolarHBondContact O-N 2.77Å; F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 2.76Å; S15-R18 PolarHBondContact O-N 2.9Å; S15-R18 PolarHBondContact OG-NH2 3.41Å; S15-E19 VanDerWaalsContact O-CG 3.28Å; S15-E19 WeakPolarHBondContact O-CG 3.4Å; S15-E19 PolarHBondContact O-N 3.38Å |
| 16 | Q | 82.8 | Confident | 84.1 | Confident | 100 Ų | 100 | 90.1 Ų | 90.1 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 178.6 | -74.7 | 179.3 | -11 | 0 | 0 | 112.2 | N12 F13 R18 E19 Y20 | N12-Q16 WeakPolarHBondContact O-CG 3.33Å; N12-Q16 PolarHBondContact O-N 3.2Å; F13-Q16 PolarHBondContact O-N 3.06Å; Q16-R18 VanDerWaalsContact C-N 3.28Å; Q16-R18 PolarHBondContact O-N 3.33Å; Q16-E19 PolarHBondContact O-N 3.02Å; Q16-Y20 HydrophobicContact CB-CE2 4.21Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.35Å; Q16-Y20 PolarHBondContact O-N 3.35Å |
| 17 | V | 86.8 | Confident | 85.2 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | F13 Y20 I21 | F13-V17 HydrophobicContact CD1-CG2 4.28Å; F13-V17 HydrophobicContact CD2-CG2 4.32Å; F13-V17 HydrophobicContact CE1-CG2 3.87Å; F13-V17 HydrophobicContact CE2-CG2 3.92Å; F13-V17 HydrophobicContact CG-CG2 4.49Å; F13-V17 HydrophobicContact CZ-CG2 3.68Å; F13-V17 WeakPolarHBondContact O-CG2 3.28Å; F13-V17 PolarHBondContact O-N 2.7Å; V17-Y20 PolarHBondContact O-N 3.09Å; V17-I21 HydrophobicContact CG1-CD1 3.71Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 WeakPolarHBondContact O-CD1 3.3Å; V17-I21 WeakPolarHBondContact O-CG1 3.48Å; V17-I21 PolarHBondContact O-N 3.41Å |
| 18 | R | 85.6 | Confident | 86 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.1 | -178.1 | -174 | 67.7 | -124.1 | -8.1 | 111.7 | H14 S15 Q16 Y20 I21 I22 | H14-R18 VanDerWaalsContact O-CB 3.28Å; H14-R18 WeakPolarHBondContact O-CB 3.44Å; H14-R18 PolarHBondContact O-N 3.18Å; S15-R18 PolarHBondContact O-N 2.9Å; S15-R18 PolarHBondContact OG-NH2 3.41Å; Q16-R18 VanDerWaalsContact C-N 3.28Å; Q16-R18 PolarHBondContact O-N 3.33Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 PolarHBondContact O-N 3Å; R18-I21 PolarHBondContact O-N 3.02Å; R18-I22 HydrophobicContact CG-CD1 3.82Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 3.46Å |
| 19 | E | 84.6 | Confident | 86.7 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 15% | 0.15 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 178.4 | -72.9 | 173.2 | -172.6 | 0 | 0 | 111.1 | S15 Q16 I21 I22 C23 S102 L103 | S15-E19 VanDerWaalsContact O-CG 3.28Å; S15-E19 WeakPolarHBondContact O-CG 3.4Å; S15-E19 PolarHBondContact O-N 3.38Å; Q16-E19 PolarHBondContact O-N 3.02Å; E19-I21 PolarHBondContact O-N 2.79Å; E19-I22 PolarHBondContact O-N 3.45Å; E19-C23 WeakPolarHBondContact O-CB 3.26Å; E19-C23 PolarHBondContact O-N 3.27Å; E19-C23 PolarHBondContact O-SG 3.32Å; E19-S102 WeakPolarHBondContact OE1-CB 3.48Å; E19-S102 PolarHBondContact OE1-OG 2.96Å; E19-L103 HydrophobicContact CB-CD1 3.94Å; E19-L103 HydrophobicContact CG-CB 4.19Å; E19-L103 HydrophobicContact CG-CD1 3.7Å |
| 20 | Y | 87.4 | Confident | 87.4 | Confident | 152 Ų | 152 | 80.4 Ų | 80.4 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 177.2 | -67 | -47.9 | 0 | 0 | 0 | 113.5 | Q16 V17 R18 C23 F24 | Q16-Y20 HydrophobicContact CB-CE2 4.21Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.35Å; Q16-Y20 PolarHBondContact O-N 3.35Å; V17-Y20 PolarHBondContact O-N 3.09Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 PolarHBondContact O-N 3Å; Y20-C23 PolarHBondContact O-N 3.03Å; Y20-F24 VanDerWaalsContact O-CB 3.25Å; Y20-F24 WeakPolarHBondContact O-CB 3.36Å; Y20-F24 PolarHBondContact O-N 3Å |
| 21 | I | 89.9 | Confident | 88.1 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.6 | -70.2 | 165.5 | 0 | 0 | 0 | 110.4 | V17 R18 E19 F24 L25 | V17-I21 HydrophobicContact CG1-CD1 3.71Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 WeakPolarHBondContact O-CD1 3.3Å; V17-I21 WeakPolarHBondContact O-CG1 3.48Å; V17-I21 PolarHBondContact O-N 3.41Å; R18-I21 PolarHBondContact O-N 3.02Å; E19-I21 PolarHBondContact O-N 2.79Å; I21-F24 PolarHBondContact O-N 2.89Å; I21-L25 HydrophobicContact CG2-CD1 4.05Å; I21-L25 WeakPolarHBondContact O-CG 3.35Å; I21-L25 PolarHBondContact O-N 3.01Å |
| 22 | I | 88.3 | Confident | 88.9 | Confident | 32 Ų | 32 | 77 Ų | 77 | 16% | 0.164 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 179.7 | -66.1 | 162.8 | 0 | 0 | 0 | 110.3 | R18 E19 F24 L25 L26 W98 L103 | R18-I22 HydrophobicContact CG-CD1 3.82Å; R18-I22 WeakPolarHBondContact O-CG1 3.48Å; R18-I22 PolarHBondContact O-N 3.46Å; E19-I22 PolarHBondContact O-N 3.45Å; I22-F24 VanDerWaalsContact C-N 3.31Å; I22-F24 PolarHBondContact O-N 3.48Å; I22-L25 PolarHBondContact O-N 3.42Å; I22-L26 HydrophobicContact CG2-CD1 3.95Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 2.89Å; I22-W98 HydrophobicContact CD1-CE3 3.53Å; I22-W98 HydrophobicContact CD1-CZ3 3.68Å; I22-W98 HydrophobicContact CG2-CZ3 4.42Å; I22-L103 HydrophobicContact CB-CD1 4.4Å; I22-L103 HydrophobicContact CD1-CD1 4.36Å; I22-L103 HydrophobicContact CD1-CD2 4.31Å; I22-L103 HydrophobicContact CG2-CD1 4.38Å |
| 23 | C | 87.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 8% | 0.081 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 176.5 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | E19 Y20 F27 L110 | E19-C23 WeakPolarHBondContact O-CB 3.26Å; E19-C23 PolarHBondContact O-N 3.27Å; E19-C23 PolarHBondContact O-SG 3.32Å; Y20-C23 PolarHBondContact O-N 3.03Å; C23-F27 VanDerWaalsContact O-CB 3.25Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 2.95Å; C23-L110 HydrophobicContact CB-CD2 3.76Å |
| 24 | F | 90.8 | Very high | 90.1 | Very high | 139 Ų | 139 | 70.7 Ų | 70.7 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 178.2 | 177.1 | -98.1 | 0 | 0 | 0 | 112.2 | Y20 I21 I22 F27 A28 | Y20-F24 VanDerWaalsContact O-CB 3.25Å; Y20-F24 WeakPolarHBondContact O-CB 3.36Å; Y20-F24 PolarHBondContact O-N 3Å; I21-F24 PolarHBondContact O-N 2.89Å; I22-F24 VanDerWaalsContact C-N 3.31Å; I22-F24 PolarHBondContact O-N 3.48Å; F24-F27 PolarHBondContact O-N 3.44Å; F24-A28 VanDerWaalsContact O-CB 3.32Å; F24-A28 WeakPolarHBondContact O-CB 3.44Å; F24-A28 PolarHBondContact O-N 3.45Å |
| 25 | L | 92.7 | Very high | 90.6 | Very high | 102 Ų | 102 | 69.4 Ų | 69.4 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 178.3 | -72.3 | 173 | 0 | 0 | 0 | 111.8 | I21 I22 F27 A28 V29 | I21-L25 HydrophobicContact CG2-CD1 4.05Å; I21-L25 WeakPolarHBondContact O-CG 3.35Å; I21-L25 PolarHBondContact O-N 3.01Å; I22-L25 PolarHBondContact O-N 3.42Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 2.9Å; L25-A28 PolarHBondContact O-N 3.49Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.28Å; L25-V29 VanDerWaalsContact O-N 3.1Å |
| 26 | L | 90.4 | Very high | 91.3 | Very high | 73 Ų | 73 | 71.6 Ų | 71.6 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.5 | -72.7 | 172.2 | 0 | 0 | 0 | 111.1 | I22 A28 V29 L30 L107 | I22-L26 HydrophobicContact CG2-CD1 3.95Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.49Å; I22-L26 PolarHBondContact O-N 2.89Å; L26-A28 PolarHBondContact O-N 3.31Å; L26-V29 PolarHBondContact O-N 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.95Å; L26-L107 HydrophobicContact CD1-CD1 3.88Å |
| 27 | F | 93.1 | Very high | 91.8 | Very high | 49 Ų | 49 | 70.6 Ų | 70.6 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.8 | -175.1 | -98.2 | 0 | 0 | 0 | 112.1 | C23 F24 L25 V29 L30 Y31 F65 A68 V69 | C23-F27 VanDerWaalsContact O-CB 3.25Å; C23-F27 WeakPolarHBondContact O-CB 3.5Å; C23-F27 PolarHBondContact O-N 2.95Å; F24-F27 PolarHBondContact O-N 3.44Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 2.9Å; F27-V29 PolarHBondContact O-N 2.94Å; F27-L30 PolarHBondContact O-N 3.27Å; F27-Y31 HydrophobicContact CE1-CD2 4.12Å; F27-Y31 HydrophobicContact CZ-CD2 4.18Å; F27-Y31 VanDerWaalsContact O-CB 3.28Å; F27-Y31 WeakPolarHBondContact O-CB 3.31Å; F27-Y31 PolarHBondContact O-N 3.36Å; F27-F65 AromaticContact CE1-CD2 3.94Å; F27-F65 HydrophobicContact CE1-CD2 3.94Å; F27-F65 AromaticContact CE1-CE2 3.89Å; F27-F65 HydrophobicContact CE1-CE2 3.89Å; F27-F65 HydrophobicContact CE2-CD2 4.32Å; F27-F65 HydrophobicContact CE2-CE2 4.09Å; F27-F65 AromaticContact CZ-CD2 3.34Å; F27-F65 HydrophobicContact CZ-CD2 3.34Å; F27-F65 AromaticContact CZ-CE2 3.33Å; F27-F65 HydrophobicContact CZ-CE2 3.33Å; F27-F65 HydrophobicContact CZ-CG 4.23Å; F27-F65 HydrophobicContact CZ-CZ 4.24Å; F27-A68 HydrophobicContact CE2-CB 3.81Å; F27-A68 HydrophobicContact CZ-CB 4.06Å; F27-V69 HydrophobicContact CE2-CG2 3.96Å |
| 28 | A | 95.2 | Very high | 92 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F24 L25 L26 Y31 I32 | F24-A28 VanDerWaalsContact O-CB 3.32Å; F24-A28 WeakPolarHBondContact O-CB 3.44Å; F24-A28 PolarHBondContact O-N 3.45Å; L25-A28 PolarHBondContact O-N 3.49Å; L26-A28 PolarHBondContact O-N 3.31Å; A28-Y31 PolarHBondContact O-N 3.04Å; A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.48Å; A28-I32 PolarHBondContact O-N 3.43Å |
| 29 | V | 95.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 67.1 Ų | 67.1 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.6 | -48.5 | 175 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L25 L26 F27 Y31 I32 V33 | L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.28Å; L25-V29 VanDerWaalsContact O-N 3.1Å; L26-V29 PolarHBondContact O-N 3.45Å; F27-V29 PolarHBondContact O-N 2.94Å; V29-Y31 VanDerWaalsContact C-N 3.3Å; V29-Y31 PolarHBondContact O-N 3.47Å; V29-I32 PolarHBondContact O-N 3.31Å; V29-V33 WeakPolarHBondContact O-CG2 3.14Å; V29-V33 PolarHBondContact O-N 2.91Å |
| 30 | L | 94.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 72.7 Ų | 72.7 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 177.4 | -71 | 171.3 | 0 | 0 | 0 | 111.5 | L26 F27 I32 V33 S34 A68 F75 | L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.95Å; F27-L30 PolarHBondContact O-N 3.27Å; L30-I32 PolarHBondContact O-N 2.92Å; L30-V33 PolarHBondContact O-N 2.83Å; L30-S34 WeakPolarHBondContact O-CB 3.49Å; L30-S34 PolarHBondContact O-N 3.47Å; L30-S34 PolarHBondContact O-OG 3.38Å; L30-A68 HydrophobicContact CB-CB 4.16Å; L30-F75 HydrophobicContact CD2-CD2 3.96Å; L30-F75 HydrophobicContact CD2-CE2 4.03Å |
| 31 | Y | 96.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 178.2 | -171.9 | -89.4 | 0 | 0 | 0 | 112.4 | F27 A28 V29 S34 Y35 T64 F65 A68 | F27-Y31 HydrophobicContact CE1-CD2 4.12Å; F27-Y31 HydrophobicContact CZ-CD2 4.18Å; F27-Y31 VanDerWaalsContact O-CB 3.28Å; F27-Y31 WeakPolarHBondContact O-CB 3.31Å; F27-Y31 PolarHBondContact O-N 3.36Å; A28-Y31 PolarHBondContact O-N 3.04Å; V29-Y31 VanDerWaalsContact C-N 3.3Å; V29-Y31 PolarHBondContact O-N 3.47Å; Y31-S34 PolarHBondContact O-N 3.2Å; Y31-Y35 WeakPolarHBondContact O-CB 3.21Å; Y31-Y35 PolarHBondContact O-N 2.95Å; Y31-T64 WeakPolarHBondContact CE2-OG1 3.47Å; Y31-T64 PolarHBondContact OH-OG1 3.46Å; Y31-T64 VanDerWaalsContact OH-OG1 3.14Å; Y31-F65 HydrophobicContact CE2-CB 4.2Å; Y31-A68 HydrophobicContact CD2-CB 4.43Å |
| 32 | I | 96 | Very high | 92.3 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 55% | 0.549 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 176.7 | -67.5 | 165 | 0 | 0 | 0 | 110.3 | A28 V29 L30 S34 Y35 C36 | A28-I32 VanDerWaalsContact O-CG1 3.3Å; A28-I32 WeakPolarHBondContact O-CG1 3.48Å; A28-I32 PolarHBondContact O-N 3.43Å; V29-I32 PolarHBondContact O-N 3.31Å; L30-I32 PolarHBondContact O-N 2.92Å; I32-S34 PolarHBondContact O-N 2.93Å; I32-Y35 PolarHBondContact O-N 3.47Å; I32-C36 PolarHBondContact O-N 3.5Å; I32-C36 PolarHBondContact O-SG 2.68Å; I32-C36 VanDerWaalsContact O-SG 3.37Å |
| 33 | V | 95.6 | Very high | 92.1 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | V29 L30 Y35 C36 I37 | V29-V33 WeakPolarHBondContact O-CG2 3.14Å; V29-V33 PolarHBondContact O-N 2.91Å; L30-V33 PolarHBondContact O-N 2.83Å; V33-Y35 PolarHBondContact O-N 3.16Å; V33-C36 PolarHBondContact O-N 3.16Å; V33-I37 HydrophobicContact CG1-CD1 3.86Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.39Å; V33-I37 PolarHBondContact O-N 3.08Å |
| 34 | S | 95.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 79.9 Ų | 79.9 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 177.2 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | L30 Y31 I32 I37 I38 A68 | L30-S34 WeakPolarHBondContact O-CB 3.49Å; L30-S34 PolarHBondContact O-N 3.47Å; L30-S34 PolarHBondContact O-OG 3.38Å; Y31-S34 PolarHBondContact O-N 3.2Å; I32-S34 PolarHBondContact O-N 2.93Å; S34-I37 PolarHBondContact O-N 2.85Å; S34-I38 PolarHBondContact O-N 3.36Å; S34-A68 WeakPolarHBondContact OG-CA 3.34Å; S34-A68 PolarHBondContact OG-N 3.01Å |
| 35 | Y | 95.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 76.2 Ų | 76.2 | 37% | 0.373 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.8 | -178.3 | -91.9 | 0 | 0 | 0 | 111.8 | Y31 I32 V33 I37 I38 T39 L60 Y61 T64 | Y31-Y35 WeakPolarHBondContact O-CB 3.21Å; Y31-Y35 PolarHBondContact O-N 2.95Å; I32-Y35 PolarHBondContact O-N 3.47Å; V33-Y35 PolarHBondContact O-N 3.16Å; Y35-I37 VanDerWaalsContact C-N 3.32Å; Y35-I37 PolarHBondContact O-N 3.39Å; Y35-I38 PolarHBondContact O-N 2.96Å; Y35-T39 HydrophobicContact CD1-CG2 4.08Å; Y35-T39 HydrophobicContact CD2-CG2 4.35Å; Y35-T39 HydrophobicContact CE1-CG2 3.68Å; Y35-T39 HydrophobicContact CE2-CG2 3.95Å; Y35-T39 HydrophobicContact CG-CG2 4.39Å; Y35-T39 WeakPolarHBondContact O-CB 3.43Å; Y35-T39 VanDerWaalsContact O-CG2 3.29Å; Y35-T39 WeakPolarHBondContact O-CG2 3.25Å; Y35-T39 PolarHBondContact O-N 2.98Å; Y35-T39 PolarHBondContact O-OG1 3.37Å; Y35-L60 HydrophobicContact CD2-CD2 3.78Å; Y35-L60 HydrophobicContact CE2-CD2 3.57Å; Y35-Y61 HydrophobicContact CE2-CE1 4.25Å; Y35-T64 HydrophobicContact CD2-CG2 3.99Å |
| 36 | C | 93.9 | Very high | 88.7 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 48% | 0.48 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 112.6 | I32 V33 T39 R40 | I32-C36 PolarHBondContact O-N 3.5Å; I32-C36 PolarHBondContact O-SG 2.68Å; I32-C36 VanDerWaalsContact O-SG 3.37Å; V33-C36 PolarHBondContact O-N 3.16Å; C36-T39 WeakPolarHBondContact CA-OG1 3.38Å; C36-T39 PolarHBondContact O-OG1 3.47Å; C36-R40 WeakPolarHBondContact O-CB 3.49Å; C36-R40 PolarHBondContact O-N 3.39Å |
| 37 | I | 92.3 | Very high | 86.8 | Confident | 79 Ų | 79 | 81 Ų | 81 | 41% | 0.405 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -55.1 | 176.4 | -68.8 | 165.4 | 0 | 0 | 0 | 109.5 | V33 S34 Y35 T39 R40 Y41 L67 | V33-I37 HydrophobicContact CG1-CD1 3.86Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.39Å; V33-I37 PolarHBondContact O-N 3.08Å; S34-I37 PolarHBondContact O-N 2.85Å; Y35-I37 VanDerWaalsContact C-N 3.32Å; Y35-I37 PolarHBondContact O-N 3.39Å; I37-T39 PolarHBondContact O-N 2.89Å; I37-R40 WeakPolarHBondContact O-CB 3.35Å; I37-R40 PolarHBondContact O-N 3.49Å; I37-R40 VanDerWaalsContact O-N 3.11Å; I37-Y41 HydrophobicContact CG2-CD2 4.21Å; I37-Y41 HydrophobicContact CG2-CE2 4.28Å; I37-Y41 VanDerWaalsContact O-CD2 3.3Å; I37-Y41 WeakPolarHBondContact O-CD2 3.47Å; I37-Y41 PolarHBondContact O-N 3.47Å; I37-L67 HydrophobicContact CB-CD2 4.37Å; I37-L67 HydrophobicContact CG2-CD2 4.17Å |
| 38 | I | 92.1 | Very high | 85 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | -175.2 | -74 | 163.7 | 0 | 0 | 0 | 111.6 | S34 Y35 R40 Y41 K42 L60 C63 T64 L67 I389 | S34-I38 PolarHBondContact O-N 3.36Å; Y35-I38 PolarHBondContact O-N 2.96Å; I38-R40 PolarHBondContact O-N 3.18Å; I38-Y41 PolarHBondContact O-N 2.86Å; I38-K42 VanDerWaalsContact O-CB 3.25Å; I38-K42 WeakPolarHBondContact O-CB 3.33Å; I38-K42 PolarHBondContact O-N 3.12Å; I38-L60 HydrophobicContact CG2-CG 4.21Å; I38-C63 HydrophobicContact CD1-CB 3.98Å; I38-T64 HydrophobicContact CB-CG2 4.18Å; I38-T64 HydrophobicContact CD1-CG2 3.55Å; I38-T64 HydrophobicContact CG1-CG2 4.43Å; I38-T64 HydrophobicContact CG2-CG2 4.44Å; I38-L67 HydrophobicContact CD1-CB 4.06Å; I38-L67 HydrophobicContact CD1-CD2 3.71Å; I38-L67 HydrophobicContact CG1-CD2 3.77Å; I38-I389 HydrophobicContact CG1-CG2 4.33Å; I38-I389 HydrophobicContact CG2-CD1 4.36Å; I38-I389 HydrophobicContact CG2-CG2 4.06Å |
| 39 | T | 89.4 | Confident | 83.5 | Confident | 55 Ų | 55 | 90.9 Ų | 90.9 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -25.9 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | Y35 C36 I37 L60 | Y35-T39 HydrophobicContact CD1-CG2 4.08Å; Y35-T39 HydrophobicContact CD2-CG2 4.35Å; Y35-T39 HydrophobicContact CE1-CG2 3.68Å; Y35-T39 HydrophobicContact CE2-CG2 3.95Å; Y35-T39 HydrophobicContact CG-CG2 4.39Å; Y35-T39 WeakPolarHBondContact O-CB 3.43Å; Y35-T39 VanDerWaalsContact O-CG2 3.29Å; Y35-T39 WeakPolarHBondContact O-CG2 3.25Å; Y35-T39 PolarHBondContact O-N 2.98Å; Y35-T39 PolarHBondContact O-OG1 3.37Å; C36-T39 WeakPolarHBondContact CA-OG1 3.38Å; C36-T39 PolarHBondContact O-OG1 3.47Å; I37-T39 PolarHBondContact O-N 2.89Å; T39-L60 HydrophobicContact CG2-CD1 4.46Å |
| 40 | R | 89.7 | Confident | 82.5 | Confident | 150 Ų | 150 | 93.7 Ų | 93.7 | 57% | 0.566 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.7 | -27.3 | 176.5 | -173.7 | -178.4 | 178.1 | 94.9 | -4.3 | 113.5 | C36 I37 I38 | C36-R40 WeakPolarHBondContact O-CB 3.49Å; C36-R40 PolarHBondContact O-N 3.39Å; I37-R40 WeakPolarHBondContact O-CB 3.35Å; I37-R40 PolarHBondContact O-N 3.49Å; I37-R40 VanDerWaalsContact O-N 3.11Å; I38-R40 PolarHBondContact O-N 3.18Å |
| 41 | Y | 87.2 | Confident | 81.7 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 34% | 0.341 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -95.1 | -34 | 178.9 | -75.1 | -84 | 0 | 0 | 0 | 112.1 | I37 I38 R43 P379 D382 D383 T384 | I37-Y41 HydrophobicContact CG2-CD2 4.21Å; I37-Y41 HydrophobicContact CG2-CE2 4.28Å; I37-Y41 VanDerWaalsContact O-CD2 3.3Å; I37-Y41 WeakPolarHBondContact O-CD2 3.47Å; I37-Y41 PolarHBondContact O-N 3.47Å; I38-Y41 PolarHBondContact O-N 2.86Å; Y41-R43 PolarHBondContact O-N 2.9Å; Y41-P379 HydrophobicContact CD1-CB 3.84Å; Y41-P379 HydrophobicContact CE1-CB 4.27Å; Y41-P379 HydrophobicContact CG-CB 4.32Å; Y41-D382 WeakPolarHBondContact O-CA 3.37Å; Y41-D382 PolarHBondContact O-N 2.95Å; Y41-D382 VanDerWaalsContact O-N 3.15Å; Y41-D383 PolarHBondContact O-N 3.04Å; Y41-T384 PolarHBondContact O-N 2.77Å; Y41-T384 PolarHBondContact O-OG1 3.47Å |
| 42 | K | 87.9 | Confident | 81 | Confident | 36 Ų | 36 | 95.5 Ų | 95.5 | 16% | 0.157 | 47% | 0.467 | C | S | . | . | B | Isolated β-bridge | trans | -54.2 | 130.8 | -177.9 | 175 | 173.6 | 171.2 | 176.1 | 0 | 112 | I38 K44 N56 L60 T384 M386 I389 | I38-K42 VanDerWaalsContact O-CB 3.25Å; I38-K42 WeakPolarHBondContact O-CB 3.33Å; I38-K42 PolarHBondContact O-N 3.12Å; K42-K44 PolarHBondContact O-N 3.22Å; K42-N56 WeakPolarHBondContact CE-OD1 3.06Å; K42-N56 VanDerWaalsContact NZ-CG 3.34Å; K42-N56 PolarHBondContact NZ-ND2 3.08Å; K42-N56 PolarHBondContact NZ-OD1 2.74Å; K42-L60 HydrophobicContact CD-CD1 3.65Å; K42-T384 WeakPolarHBondContact CA-OG1 3.36Å; K42-T384 PolarHBondContact N-OG1 3.32Å; K42-M386 HydrophobicContact CD-SD 3.76Å; K42-M386 HydrophobicContact CG-SD 4.31Å; K42-I389 HydrophobicContact CB-CD1 3.81Å; K42-I389 HydrophobicContact CG-CD1 4.2Å |
| 43 | R | 83.4 | Confident | 80.4 | Confident | 142 Ų | 142 | 91.8 Ų | 91.8 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 131.6 | 169.2 | -176.4 | 172.2 | 170.9 | -179 | -2.8 | 110.7 | Y41 S45 D382 T384 | Y41-R43 PolarHBondContact O-N 2.9Å; R43-S45 PolarHBondContact O-N 3.49Å; R43-D382 WeakPolarHBondContact CA-O 3.21Å; R43-T384 VanDerWaalsContact CB-O 3.28Å; R43-T384 WeakPolarHBondContact CB-O 3.19Å; R43-T384 PolarHBondContact N-O 3.32Å |
| 44 | K | 77.6 | Confident | 79.9 | Confident | 176 Ų | 176 | 90.7 Ų | 90.7 | 77% | 0.765 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -69 | 120.4 | 169.4 | -67.2 | -178 | -179.3 | 179.6 | 0 | 108.5 | K42 | K42-K44 PolarHBondContact O-N 3.22Š|
| 45 | S | 65.4 | Low | 79.6 | Confident | 61 Ų | 61 | 90.5 Ų | 90.5 | 43% | 0.427 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 142.8 | 173.6 | 45.5 | 0 | 0 | 0 | 0 | 110.1 | R43 D47 | R43-S45 PolarHBondContact O-N 3.49Å; S45-D47 PolarHBondContact O-N 3.37Å |
| 46 | D | 55.5 | Low | 79.3 | Confident | 143 Ų | 143 | 87.3 Ų | 87.3 | 77% | 0.765 | 43% | 0.434 | S | S | * | . | trans | -73.7 | 113.5 | 162.5 | -71.3 | -32.7 | 0 | 0 | 0 | 107 | H48 | D46-H48 VanDerWaalsContact C-N 3.3Å; D46-H48 PolarHBondContact O-N 2.93Å | ||
| 47 | D | 52.1 | Low | 79.1 | Confident | 133 Ų | 133 | 90.7 Ų | 90.7 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | trans | -68.7 | 77.2 | -173.9 | -78.1 | -27.4 | 0 | 0 | 0 | 111.7 | S45 | S45-D47 PolarHBondContact O-N 3.37Š| ||
| 48 | H | 53.4 | Low | 79 | Confident | 166 Ų | 166 | 89.7 Ų | 89.7 | 77% | 0.769 | 43% | 0.431 | S | S | * | . | trans | -103.9 | -10.7 | -179.7 | -78.9 | -48.6 | 0 | 0 | 0 | 115.8 | D46 | D46-H48 VanDerWaalsContact C-N 3.3Å; D46-H48 PolarHBondContact O-N 2.93Å | ||
| 49 | E | 65 | Low | 79.1 | Confident | 122 Ų | 122 | 89.3 Ų | 89.3 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | trans | -141.3 | 120.3 | 173.2 | -64.2 | -169.1 | -172.4 | 0 | 0 | 112.1 | E51 D52 A53 | E49-E51 VanDerWaalsContact C-N 3.28Å; E49-E51 PolarHBondContact O-N 3.04Å; E49-D52 HydrophobicContact CB-CB 4.38Å; E49-D52 PolarHBondContact O-N 3.14Å; E49-A53 PolarHBondContact O-N 3.49Å; E49-A53 VanDerWaalsContact O-N 3.17Å | ||
| 50 | D | 74.5 | Confident | 79.2 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 81% | 0.813 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -33.1 | -175.7 | -72 | -37.7 | 0 | 0 | 0 | 113.1 | V54 | D50-V54 WeakPolarHBondContact O-CG2 3.45Å; D50-V54 PolarHBondContact O-N 3.44Å |
| 51 | E | 76.8 | Confident | 79.5 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72.4 | -46 | -179 | -64.9 | -167.2 | 165.5 | 0 | 0 | 112.3 | E49 A53 V54 V55 | E49-E51 VanDerWaalsContact C-N 3.28Å; E49-E51 PolarHBondContact O-N 3.04Å; E51-A53 VanDerWaalsContact C-N 3.26Å; E51-A53 PolarHBondContact O-N 2.73Å; E51-V54 PolarHBondContact O-N 3.32Å; E51-V54 VanDerWaalsContact O-N 3.13Å; E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 2.65Å |
| 52 | D | 81.8 | Confident | 79.8 | Confident | 70 Ų | 70 | 82.4 Ų | 82.4 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -32.7 | 178.3 | -72.8 | -11 | 0 | 0 | 0 | 111.6 | E49 V54 V55 N56 R145 | E49-D52 HydrophobicContact CB-CB 4.38Å; E49-D52 PolarHBondContact O-N 3.14Å; D52-V54 VanDerWaalsContact C-N 3.34Å; D52-V54 PolarHBondContact O-N 2.73Å; D52-V55 PolarHBondContact O-N 3.48Å; D52-N56 WeakPolarHBondContact O-CB 3.48Å; D52-N56 PolarHBondContact O-N 2.76Å; D52-R145 IonicContact OD1-CZ 2.85Å; D52-R145 VanDerWaalsContact OD1-CZ 3.25Å; D52-R145 IonicContact OD1-NH1 3.25Å; D52-R145 PolarHBondContact OD1-NH1 3.45Å; D52-R145 IonicContact OD1-NH2 2.82Å; D52-R145 PolarHBondContact OD1-NH2 2.9Å |
| 53 | A | 83.5 | Confident | 80.2 | Confident | 29 Ų | 29 | 80.7 Ų | 80.7 | 24% | 0.24 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | E49 E51 R57 | E49-A53 PolarHBondContact O-N 3.49Å; E49-A53 VanDerWaalsContact O-N 3.17Å; E51-A53 VanDerWaalsContact C-N 3.26Å; E51-A53 PolarHBondContact O-N 2.73Å; A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 PolarHBondContact O-N 2.98Å |
| 54 | V | 86.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | D50 E51 D52 N56 R57 I58 I142 | D50-V54 WeakPolarHBondContact O-CG2 3.45Å; D50-V54 PolarHBondContact O-N 3.44Å; E51-V54 PolarHBondContact O-N 3.32Å; E51-V54 VanDerWaalsContact O-N 3.13Å; D52-V54 VanDerWaalsContact C-N 3.34Å; D52-V54 PolarHBondContact O-N 2.73Å; V54-N56 PolarHBondContact O-N 3.21Å; V54-R57 WeakPolarHBondContact O-CB 3.48Å; V54-R57 PolarHBondContact O-N 3Å; V54-R57 VanDerWaalsContact O-N 3.16Å; V54-I58 HydrophobicContact CG1-CD1 3.88Å; V54-I58 HydrophobicContact CG1-CG1 4.45Å; V54-I58 WeakPolarHBondContact O-CG1 3.32Å; V54-I58 PolarHBondContact O-N 3.45Å; V54-I142 HydrophobicContact CB-CD1 4.27Å; V54-I142 HydrophobicContact CG1-CD1 3.83Å |
| 55 | V | 88.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | E51 D52 R57 I58 S59 F129 L130 | E51-V55 WeakPolarHBondContact O-CG2 3.4Å; E51-V55 PolarHBondContact O-N 2.65Å; D52-V55 PolarHBondContact O-N 3.48Å; V55-R57 VanDerWaalsContact C-N 3.29Å; V55-R57 PolarHBondContact O-N 3.39Å; V55-I58 PolarHBondContact O-N 3.06Å; V55-S59 PolarHBondContact O-N 3.12Å; V55-S59 PolarHBondContact O-OG 3.14Å; V55-F129 HydrophobicContact CB-CD1 4.48Å; V55-F129 HydrophobicContact CB-CE1 3.99Å; V55-F129 HydrophobicContact CB-CZ 4.27Å; V55-F129 HydrophobicContact CG1-CD1 3.71Å; V55-F129 HydrophobicContact CG1-CE1 3.71Å; V55-F129 HydrophobicContact CG1-CG 4.2Å; V55-F129 HydrophobicContact CG1-CZ 4.19Å; V55-F129 WeakPolarHBondContact CG1-O 3.45Å; V55-F129 HydrophobicContact CG2-CE1 4Å; V55-F129 HydrophobicContact CG2-CE2 4.31Å; V55-F129 HydrophobicContact CG2-CZ 3.76Å; V55-L130 HydrophobicContact CG1-CD2 4.16Å |
| 56 | N | 88.8 | Confident | 83.2 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.4 | -38 | 176.7 | -173.6 | -12.6 | 0 | 0 | 0 | 112 | K42 D52 V54 L60 M386 | K42-N56 WeakPolarHBondContact CE-OD1 3.06Å; K42-N56 VanDerWaalsContact NZ-CG 3.34Å; K42-N56 PolarHBondContact NZ-ND2 3.08Å; K42-N56 PolarHBondContact NZ-OD1 2.74Å; D52-N56 WeakPolarHBondContact O-CB 3.48Å; D52-N56 PolarHBondContact O-N 2.76Å; V54-N56 PolarHBondContact O-N 3.21Å; N56-L60 VanDerWaalsContact O-CB 3.32Å; N56-L60 WeakPolarHBondContact O-CB 3.15Å; N56-L60 PolarHBondContact O-N 2.91Å; N56-M386 WeakPolarHBondContact OD1-CG 2.74Å; N56-M386 PolarHBondContact OD1-SD 2.97Å |
| 57 | R | 89.9 | Confident | 85.1 | Confident | 143 Ų | 143 | 58.8 Ų | 58.8 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.1 | -168.1 | -174.2 | -63 | -174.4 | 0.8 | 112.2 | A53 V54 V55 L60 Y61 | A53-R57 WeakPolarHBondContact O-CB 3.4Å; A53-R57 PolarHBondContact O-N 2.98Å; V54-R57 WeakPolarHBondContact O-CB 3.48Å; V54-R57 PolarHBondContact O-N 3Å; V54-R57 VanDerWaalsContact O-N 3.16Å; V55-R57 VanDerWaalsContact C-N 3.29Å; V55-R57 PolarHBondContact O-N 3.39Å; R57-L60 WeakPolarHBondContact O-CB 3.36Å; R57-L60 PolarHBondContact O-N 3.39Å; R57-Y61 HydrophobicContact CG-CD2 4.32Å; R57-Y61 HydrophobicContact CG-CE2 3.58Å; R57-Y61 VanDerWaalsContact O-CD2 3.27Å; R57-Y61 WeakPolarHBondContact O-CD2 3.48Å; R57-Y61 PolarHBondContact O-N 3.47Å |
| 58 | I | 91.4 | Very high | 87.2 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 29% | 0.292 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.6 | -67.1 | 165.7 | 0 | 0 | 0 | 110.2 | V54 V55 L60 Y61 L62 F129 | V54-I58 HydrophobicContact CG1-CD1 3.88Å; V54-I58 HydrophobicContact CG1-CG1 4.45Å; V54-I58 WeakPolarHBondContact O-CG1 3.32Å; V54-I58 PolarHBondContact O-N 3.45Å; V55-I58 PolarHBondContact O-N 3.06Å; I58-L60 PolarHBondContact O-N 3.34Å; I58-Y61 PolarHBondContact O-N 3.29Å; I58-L62 HydrophobicContact CG2-CD1 4.38Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 2.84Å; I58-F129 HydrophobicContact CB-CE1 3.95Å; I58-F129 HydrophobicContact CD1-CE1 3.89Å; I58-F129 HydrophobicContact CD1-CZ 4.14Å; I58-F129 HydrophobicContact CG2-CD1 4.32Å; I58-F129 HydrophobicContact CG2-CE1 3.95Å |
| 59 | S | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -32 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | V55 L62 C63 A126 | V55-S59 PolarHBondContact O-N 3.12Å; V55-S59 PolarHBondContact O-OG 3.14Å; S59-L62 PolarHBondContact O-N 3.28Å; S59-C63 WeakPolarHBondContact O-CB 3.41Å; S59-C63 PolarHBondContact O-N 3.4Å; S59-C63 PolarHBondContact O-SG 3.22Å; S59-A126 PolarHBondContact OG-O 3.01Å |
| 60 | L | 93 | Very high | 90.6 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -48.7 | 170.8 | -174.7 | 159.2 | 0 | 0 | 0 | 111.2 | Y35 I38 T39 K42 N56 R57 I58 L62 C63 T64 M386 | Y35-L60 HydrophobicContact CD2-CD2 3.78Å; Y35-L60 HydrophobicContact CE2-CD2 3.57Å; I38-L60 HydrophobicContact CG2-CG 4.21Å; T39-L60 HydrophobicContact CG2-CD1 4.46Å; K42-L60 HydrophobicContact CD-CD1 3.65Å; N56-L60 VanDerWaalsContact O-CB 3.32Å; N56-L60 WeakPolarHBondContact O-CB 3.15Å; N56-L60 PolarHBondContact O-N 2.91Å; R57-L60 WeakPolarHBondContact O-CB 3.36Å; R57-L60 PolarHBondContact O-N 3.39Å; I58-L60 PolarHBondContact O-N 3.34Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.43Å; L60-C63 PolarHBondContact O-N 2.92Å; L60-C63 VanDerWaalsContact O-N 3.17Å; L60-T64 HydrophobicContact CD2-CG2 3.73Å; L60-T64 HydrophobicContact CG-CG2 4.48Å; L60-T64 VanDerWaalsContact O-CG2 3.31Å; L60-T64 WeakPolarHBondContact O-CG2 3.01Å; L60-T64 PolarHBondContact O-N 3.2Å; L60-T64 PolarHBondContact O-OG1 2.96Å; L60-M386 HydrophobicContact CB-CE 3.81Å; L60-M386 VanDerWaalsContact N-CE 3.34Å |
| 61 | Y | 94.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 42% | 0.416 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 178.3 | -64.1 | -43.5 | 0 | 0 | 0 | 112.3 | Y35 R57 I58 T64 F65 | Y35-Y61 HydrophobicContact CE2-CE1 4.25Å; R57-Y61 HydrophobicContact CG-CD2 4.32Å; R57-Y61 HydrophobicContact CG-CE2 3.58Å; R57-Y61 VanDerWaalsContact O-CD2 3.27Å; R57-Y61 WeakPolarHBondContact O-CD2 3.48Å; R57-Y61 PolarHBondContact O-N 3.47Å; I58-Y61 PolarHBondContact O-N 3.29Å; Y61-T64 VanDerWaalsContact C-OG1 3.31Å; Y61-T64 VanDerWaalsContact CA-OG1 3.27Å; Y61-T64 WeakPolarHBondContact CA-OG1 3.24Å; Y61-T64 PolarHBondContact O-N 3.15Å; Y61-T64 PolarHBondContact O-OG1 3.19Å; Y61-F65 WeakPolarHBondContact O-CB 3.43Å; Y61-F65 PolarHBondContact O-N 3.35Å |
| 62 | L | 95.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 16% | 0.157 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 174.1 | -64.6 | 176.8 | 0 | 0 | 0 | 112 | I58 S59 L60 T64 F65 T66 L122 F125 A126 | I58-L62 HydrophobicContact CG2-CD1 4.38Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 2.84Å; S59-L62 PolarHBondContact O-N 3.28Å; L60-L62 VanDerWaalsContact C-N 3.27Å; L60-L62 PolarHBondContact O-N 3.43Å; L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 2.86Å; L62-F65 PolarHBondContact O-N 3.37Å; L62-T66 PolarHBondContact O-N 3.46Å; L62-T66 PolarHBondContact O-OG1 3.3Å; L62-T66 VanDerWaalsContact O-OG1 3.11Å; L62-L122 HydrophobicContact CD2-CB 4.46Å; L62-L122 HydrophobicContact CD2-CD2 4.14Å; L62-F125 HydrophobicContact CD1-CD1 3.56Å; L62-F125 HydrophobicContact CD1-CE1 3.9Å; L62-A126 HydrophobicContact CB-CB 4.25Å; L62-A126 HydrophobicContact CD1-CB 3.88Å |
| 63 | C | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 112 | I38 S59 L60 T66 L67 I389 I390 | I38-C63 HydrophobicContact CD1-CB 3.98Å; S59-C63 WeakPolarHBondContact O-CB 3.41Å; S59-C63 PolarHBondContact O-N 3.4Å; S59-C63 PolarHBondContact O-SG 3.22Å; L60-C63 PolarHBondContact O-N 2.92Å; L60-C63 VanDerWaalsContact O-N 3.17Å; C63-T66 PolarHBondContact O-N 3.25Å; C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 PolarHBondContact O-N 3.06Å; C63-I389 HydrophobicContact CB-CG2 4Å; C63-I390 WeakPolarHBondContact SG-CG1 3.23Å |
| 64 | T | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | Y31 Y35 I38 L60 Y61 L62 A68 | Y31-T64 WeakPolarHBondContact CE2-OG1 3.47Å; Y31-T64 PolarHBondContact OH-OG1 3.46Å; Y31-T64 VanDerWaalsContact OH-OG1 3.14Å; Y35-T64 HydrophobicContact CD2-CG2 3.99Å; I38-T64 HydrophobicContact CB-CG2 4.18Å; I38-T64 HydrophobicContact CD1-CG2 3.55Å; I38-T64 HydrophobicContact CG1-CG2 4.43Å; I38-T64 HydrophobicContact CG2-CG2 4.44Å; L60-T64 HydrophobicContact CD2-CG2 3.73Å; L60-T64 HydrophobicContact CG-CG2 4.48Å; L60-T64 VanDerWaalsContact O-CG2 3.31Å; L60-T64 WeakPolarHBondContact O-CG2 3.01Å; L60-T64 PolarHBondContact O-N 3.2Å; L60-T64 PolarHBondContact O-OG1 2.96Å; Y61-T64 VanDerWaalsContact C-OG1 3.31Å; Y61-T64 VanDerWaalsContact CA-OG1 3.27Å; Y61-T64 WeakPolarHBondContact CA-OG1 3.24Å; Y61-T64 PolarHBondContact O-N 3.15Å; Y61-T64 PolarHBondContact O-OG1 3.19Å; L62-T64 VanDerWaalsContact C-N 3.31Å; L62-T64 PolarHBondContact O-N 2.86Å; T64-A68 WeakPolarHBondContact O-CB 3.12Å; T64-A68 PolarHBondContact O-N 3.16Å |
| 65 | F | 96.5 | Very high | 93 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 18% | 0.184 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -50 | 172.1 | -178.4 | -91.1 | 0 | 0 | 0 | 110.5 | F27 Y31 Y61 L62 L67 A68 V69 F114 C118 L122 | F27-F65 AromaticContact CE1-CD2 3.94Å; F27-F65 HydrophobicContact CE1-CD2 3.94Å; F27-F65 AromaticContact CE1-CE2 3.89Å; F27-F65 HydrophobicContact CE1-CE2 3.89Å; F27-F65 HydrophobicContact CE2-CD2 4.32Å; F27-F65 HydrophobicContact CE2-CE2 4.09Å; F27-F65 AromaticContact CZ-CD2 3.34Å; F27-F65 HydrophobicContact CZ-CD2 3.34Å; F27-F65 AromaticContact CZ-CE2 3.33Å; F27-F65 HydrophobicContact CZ-CE2 3.33Å; F27-F65 HydrophobicContact CZ-CG 4.23Å; F27-F65 HydrophobicContact CZ-CZ 4.24Å; Y31-F65 HydrophobicContact CE2-CB 4.2Å; Y61-F65 WeakPolarHBondContact O-CB 3.43Å; Y61-F65 PolarHBondContact O-N 3.35Å; L62-F65 PolarHBondContact O-N 3.37Å; F65-L67 PolarHBondContact O-N 3.47Å; F65-A68 WeakPolarHBondContact O-CB 3.32Å; F65-A68 PolarHBondContact O-N 2.96Å; F65-A68 VanDerWaalsContact O-N 3.16Å; F65-V69 HydrophobicContact CD1-CG2 4.16Å; F65-V69 HydrophobicContact CE1-CG2 3.78Å; F65-V69 HydrophobicContact CZ-CG2 4.06Å; F65-V69 WeakPolarHBondContact O-CG2 3.26Å; F65-V69 PolarHBondContact O-N 3.44Å; F65-F114 HydrophobicContact CE1-CB 4.47Å; F65-F114 HydrophobicContact CE1-CD1 4.44Å; F65-F114 HydrophobicContact CZ-CB 4.39Å; F65-F114 AromaticContact CZ-CD1 3.86Å; F65-F114 HydrophobicContact CZ-CD1 3.86Å; F65-F114 HydrophobicContact CZ-CD2 4.47Å; F65-F114 HydrophobicContact CZ-CE1 4.21Å; F65-F114 HydrophobicContact CZ-CG 4.02Å; F65-C118 VanDerWaalsContact CD1-SG 3.56Å; F65-C118 VanDerWaalsContact CE1-SG 3.53Å; F65-L122 HydrophobicContact CD1-CD1 3.57Å; F65-L122 HydrophobicContact CE1-CD1 3.72Å |
| 66 | T | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 178.4 | -61 | 0 | 0 | 0 | 0 | 112.2 | L62 C63 A68 V69 S70 C118 M123 C393 L397 | L62-T66 PolarHBondContact O-N 3.46Å; L62-T66 PolarHBondContact O-OG1 3.3Å; L62-T66 VanDerWaalsContact O-OG1 3.11Å; C63-T66 PolarHBondContact O-N 3.25Å; T66-A68 VanDerWaalsContact C-N 3.29Å; T66-A68 PolarHBondContact O-N 2.71Å; T66-V69 PolarHBondContact O-N 3.43Å; T66-S70 PolarHBondContact O-N 3.11Å; T66-S70 PolarHBondContact O-OG 2.93Å; T66-C118 HydrophobicContact CG2-CB 4.05Å; T66-M123 HydrophobicContact CG2-CE 4.22Å; T66-M123 HydrophobicContact CG2-CG 4Å; T66-M123 HydrophobicContact CG2-SD 3.72Å; T66-M123 PolarHBondContact OG1-SD 3.35Å; T66-C393 HydrophobicContact CG2-CB 4.04Å; T66-L397 HydrophobicContact CG2-CB 4.34Å; T66-L397 HydrophobicContact CG2-CD2 4.03Å |
| 67 | L | 96 | Very high | 92.6 | Very high | 20 Ų | 20 | 27.6 Ų | 27.6 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.7 | -32.9 | 179.3 | -172.9 | 64 | 0 | 0 | 0 | 112.1 | I37 I38 C63 F65 S70 G71 I396 | I37-L67 HydrophobicContact CB-CD2 4.37Å; I37-L67 HydrophobicContact CG2-CD2 4.17Å; I38-L67 HydrophobicContact CD1-CB 4.06Å; I38-L67 HydrophobicContact CD1-CD2 3.71Å; I38-L67 HydrophobicContact CG1-CD2 3.77Å; C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 PolarHBondContact O-N 3.06Å; F65-L67 PolarHBondContact O-N 3.47Å; L67-S70 PolarHBondContact O-N 3.29Å; L67-G71 PolarHBondContact O-N 3.3Å; L67-I396 HydrophobicContact CD1-CD1 4.08Å; L67-I396 HydrophobicContact CD1-CG2 4.16Å |
| 68 | A | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F27 L30 Y31 S34 T64 F65 T66 G71 G72 | F27-A68 HydrophobicContact CE2-CB 3.81Å; F27-A68 HydrophobicContact CZ-CB 4.06Å; L30-A68 HydrophobicContact CB-CB 4.16Å; Y31-A68 HydrophobicContact CD2-CB 4.43Å; S34-A68 WeakPolarHBondContact OG-CA 3.34Å; S34-A68 PolarHBondContact OG-N 3.01Å; T64-A68 WeakPolarHBondContact O-CB 3.12Å; T64-A68 PolarHBondContact O-N 3.16Å; F65-A68 WeakPolarHBondContact O-CB 3.32Å; F65-A68 PolarHBondContact O-N 2.96Å; F65-A68 VanDerWaalsContact O-N 3.16Å; T66-A68 VanDerWaalsContact C-N 3.29Å; T66-A68 PolarHBondContact O-N 2.71Å; A68-G71 PolarHBondContact O-N 3.27Å; A68-G72 PolarHBondContact O-N 2.97Å |
| 69 | V | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.024 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F27 F65 T66 G71 G72 A73 F114 S115 L397 | F27-V69 HydrophobicContact CE2-CG2 3.96Å; F65-V69 HydrophobicContact CD1-CG2 4.16Å; F65-V69 HydrophobicContact CE1-CG2 3.78Å; F65-V69 HydrophobicContact CZ-CG2 4.06Å; F65-V69 WeakPolarHBondContact O-CG2 3.26Å; F65-V69 PolarHBondContact O-N 3.44Å; T66-V69 PolarHBondContact O-N 3.43Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.21Å; V69-G72 WeakPolarHBondContact O-CA 3.3Å; V69-G72 PolarHBondContact O-N 2.93Å; V69-G72 VanDerWaalsContact O-N 3.14Å; V69-A73 PolarHBondContact O-N 3.29Å; V69-F114 HydrophobicContact CG1-CB 3.89Å; V69-F114 HydrophobicContact CG2-CB 3.71Å; V69-F114 HydrophobicContact CG2-CG 4.47Å; V69-S115 WeakPolarHBondContact CG1-OG 3.35Å; V69-L397 HydrophobicContact CG1-CD1 4.15Å |
| 70 | S | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -43 | 174.3 | -51.5 | 0 | 0 | 0 | 0 | 112 | T66 L67 G72 A73 V74 L397 | T66-S70 PolarHBondContact O-N 3.11Å; T66-S70 PolarHBondContact O-OG 2.93Å; L67-S70 PolarHBondContact O-N 3.29Å; S70-G72 VanDerWaalsContact C-N 3.33Å; S70-G72 PolarHBondContact O-N 3.34Å; S70-A73 WeakPolarHBondContact O-CB 3.46Å; S70-A73 PolarHBondContact O-N 3.19Å; S70-V74 WeakPolarHBondContact O-CG2 3.29Å; S70-V74 PolarHBondContact O-N 2.87Å; S70-V74 VanDerWaalsContact O-N 3.09Å; S70-L397 WeakPolarHBondContact OG-CA 3.04Å; S70-L397 VanDerWaalsContact OG-CB 3.29Å; S70-L397 WeakPolarHBondContact OG-CB 3.3Å; S70-L397 VanDerWaalsContact OG-CD1 3.29Å; S70-L397 WeakPolarHBondContact OG-CD1 3.49Å; S70-L397 PolarHBondContact OG-N 3.25Å |
| 71 | G | 92.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 20.6 Ų | 20.6 | 20% | 0.196 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L67 A68 V69 A73 V74 F75 | L67-G71 PolarHBondContact O-N 3.3Å; A68-G71 PolarHBondContact O-N 3.27Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.21Å; G71-A73 VanDerWaalsContact C-N 3.31Å; G71-A73 PolarHBondContact O-N 3.38Å; G71-V74 PolarHBondContact O-N 3.44Å; G71-F75 WeakPolarHBondContact O-CD2 3.36Å; G71-F75 PolarHBondContact O-N 3.39Å |
| 72 | G | 91.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.5 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A68 V69 S70 V74 F75 L76 | A68-G72 PolarHBondContact O-N 2.97Å; V69-G72 WeakPolarHBondContact O-CA 3.3Å; V69-G72 PolarHBondContact O-N 2.93Å; V69-G72 VanDerWaalsContact O-N 3.14Å; S70-G72 VanDerWaalsContact C-N 3.33Å; S70-G72 PolarHBondContact O-N 3.34Å; G72-V74 VanDerWaalsContact C-N 3.34Å; G72-V74 PolarHBondContact O-N 2.81Å; G72-F75 PolarHBondContact O-N 2.96Å; G72-L76 WeakPolarHBondContact O-CG 3.31Å; G72-L76 PolarHBondContact O-N 3.37Å |
| 73 | A | 89.7 | Confident | 90.1 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V69 S70 G71 V111 | V69-A73 PolarHBondContact O-N 3.29Å; S70-A73 WeakPolarHBondContact O-CB 3.46Å; S70-A73 PolarHBondContact O-N 3.19Å; G71-A73 VanDerWaalsContact C-N 3.31Å; G71-A73 PolarHBondContact O-N 3.38Å; A73-V111 HydrophobicContact CB-CG1 3.81Å |
| 74 | V | 90.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 18.2 Ų | 18.2 | 11% | 0.109 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.9 | -42.6 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | S70 G71 G72 P78 F358 M361 S400 | S70-V74 WeakPolarHBondContact O-CG2 3.29Å; S70-V74 PolarHBondContact O-N 2.87Å; S70-V74 VanDerWaalsContact O-N 3.09Å; G71-V74 PolarHBondContact O-N 3.44Å; G72-V74 VanDerWaalsContact C-N 3.34Å; G72-V74 PolarHBondContact O-N 2.81Å; V74-P78 WeakPolarHBondContact O-CD 3.3Å; V74-F358 HydrophobicContact CG1-CD1 4.35Å; V74-F358 HydrophobicContact CG1-CE1 4.12Å; V74-M361 HydrophobicContact CG1-CG 4.04Å; V74-M361 HydrophobicContact CG2-CE 3.68Å; V74-M361 HydrophobicContact CG2-CG 3.97Å; V74-M361 HydrophobicContact CG2-SD 4Å; V74-S400 WeakPolarHBondContact CG2-OG 3.37Å |
| 75 | F | 90 | Very high | 88.6 | Confident | 104 Ų | 104 | 20 Ų | 20 | 46% | 0.456 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -79.5 | -17.4 | -176.1 | -73.4 | -66.4 | 0 | 0 | 0 | 114.1 | L30 G71 G72 L77 P78 F79 F358 | L30-F75 HydrophobicContact CD2-CD2 3.96Å; L30-F75 HydrophobicContact CD2-CE2 4.03Å; G71-F75 WeakPolarHBondContact O-CD2 3.36Å; G71-F75 PolarHBondContact O-N 3.39Å; G72-F75 PolarHBondContact O-N 2.96Å; F75-L77 PolarHBondContact O-N 3.36Å; F75-P78 WeakPolarHBondContact O-CD 3.44Å; F75-F79 WeakPolarHBondContact O-CB 3.34Å; F75-F79 PolarHBondContact O-N 3.31Å; F75-F358 AromaticContact CD1-CE1 3.89Å; F75-F358 HydrophobicContact CD1-CE1 3.89Å; F75-F358 AromaticContact CD1-CZ 3.69Å; F75-F358 HydrophobicContact CD1-CZ 3.69Å; F75-F358 AromaticContact CE1-CE1 3.5Å; F75-F358 HydrophobicContact CE1-CE1 3.5Å; F75-F358 AromaticContact CE1-CZ 3.49Å; F75-F358 HydrophobicContact CE1-CZ 3.49Å; F75-F358 VanDerWaalsContact CE1-CZ 3.49Å; F75-F358 HydrophobicContact CZ-CE1 4.24Å |
| 76 | L | 86.4 | Confident | 87.9 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -51.4 | -51.7 | 179.6 | -92.7 | 176.1 | 0 | 0 | 0 | 113 | G72 S80 L107 W108 V111 | G72-L76 WeakPolarHBondContact O-CG 3.31Å; G72-L76 PolarHBondContact O-N 3.37Å; L76-S80 WeakPolarHBondContact O-CB 3.25Å; L76-S80 PolarHBondContact O-N 3Å; L76-S80 PolarHBondContact O-OG 2.72Å; L76-L107 HydrophobicContact CD2-CB 3.92Å; L76-L107 HydrophobicContact CD2-CD2 3.24Å; L76-L107 HydrophobicContact CD2-CG 4.05Å; L76-L107 HydrophobicContact CG-CD2 4.1Å; L76-W108 HydrophobicContact CB-CZ2 3.97Å; L76-W108 HydrophobicContact CD1-CD2 3.81Å; L76-W108 HydrophobicContact CD1-CE3 3.87Å; L76-W108 HydrophobicContact CD1-CG 4.27Å; L76-W108 HydrophobicContact CD1-CH2 4.41Å; L76-W108 HydrophobicContact CD1-CZ2 4.35Å; L76-W108 HydrophobicContact CD1-CZ3 4.18Å; L76-W108 HydrophobicContact CD2-CB 4.46Å; L76-W108 HydrophobicContact CD2-CD2 4.11Å; L76-W108 HydrophobicContact CD2-CG 3.87Å; L76-W108 HydrophobicContact CG-CD2 4.45Å; L76-V111 HydrophobicContact CD1-CB 3.71Å; L76-V111 HydrophobicContact CD1-CG1 3.58Å; L76-V111 HydrophobicContact CD1-CG2 4.05Å; L76-V111 HydrophobicContact CD2-CG2 4.35Å; L76-V111 HydrophobicContact CG-CB 4.37Å; L76-V111 HydrophobicContact CG-CG1 4.38Å; L76-V111 HydrophobicContact CG-CG2 4.16Å |
| 77 | L | 82.3 | Confident | 87 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.4 | -52.6 | -178 | -86.3 | -177.3 | 0 | 0 | 0 | 112.5 | F75 F79 S80 I81 W108 M357 P404 | F75-L77 PolarHBondContact O-N 3.36Å; L77-F79 VanDerWaalsContact C-N 3.27Å; L77-F79 PolarHBondContact O-N 3.35Å; L77-S80 WeakPolarHBondContact O-CB 3.5Å; L77-S80 PolarHBondContact O-N 2.91Å; L77-S80 VanDerWaalsContact O-N 3.09Å; L77-I81 WeakPolarHBondContact O-CG1 3.27Å; L77-I81 PolarHBondContact O-N 3.5Å; L77-W108 HydrophobicContact CD2-CH2 4.18Å; L77-W108 HydrophobicContact CD2-CZ2 3.67Å; L77-W108 HydrophobicContact CG-CH2 4.14Å; L77-W108 HydrophobicContact CG-CZ2 3.85Å; L77-M357 HydrophobicContact CD1-SD 4.25Å; L77-P404 VanDerWaalsContact CD1-CA 3.49Å; L77-P404 HydrophobicContact CD1-CB 3.52Å; L77-P404 HydrophobicContact CD1-CG 3.85Å; L77-P404 HydrophobicContact CG-CB 4.06Å; L77-P404 HydrophobicContact CG-CG 4.18Å |
| 78 | P | 87.3 | Confident | 86 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.5 | -44.4 | 173.9 | -28.5 | 34.5 | 0 | 0 | 0 | 113 | V74 F75 S80 I81 I82 I354 F358 | V74-P78 WeakPolarHBondContact O-CD 3.3Å; F75-P78 WeakPolarHBondContact O-CD 3.44Å; P78-S80 VanDerWaalsContact C-N 3.34Å; P78-S80 PolarHBondContact O-N 3.2Å; P78-I81 PolarHBondContact O-N 3.2Å; P78-I82 WeakPolarHBondContact O-CB 3.4Å; P78-I82 WeakPolarHBondContact O-CD1 3.45Å; P78-I82 WeakPolarHBondContact O-CG1 3.32Å; P78-I82 PolarHBondContact O-N 3.48Å; P78-I354 HydrophobicContact CB-CG1 4.36Å; P78-I354 HydrophobicContact CB-CG2 4.1Å; P78-F358 HydrophobicContact CB-CE2 4.18Å; P78-F358 HydrophobicContact CB-CZ 4.17Å; P78-F358 HydrophobicContact CG-CE2 3.99Å; P78-F358 HydrophobicContact CG-CZ 3.83Å |
| 79 | F | 86.1 | Confident | 85.2 | Confident | 51 Ų | 51 | 27.4 Ų | 27.4 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.5 | -179.9 | -102.5 | 0 | 0 | 0 | 111.5 | F75 L77 I82 S83 L99 | F75-F79 WeakPolarHBondContact O-CB 3.34Å; F75-F79 PolarHBondContact O-N 3.31Å; L77-F79 VanDerWaalsContact C-N 3.27Å; L77-F79 PolarHBondContact O-N 3.35Å; F79-I82 PolarHBondContact O-N 3.16Å; F79-S83 WeakPolarHBondContact O-CB 3.33Å; F79-S83 PolarHBondContact O-N 3.03Å; F79-S83 PolarHBondContact O-OG 3.39Å; F79-L99 HydrophobicContact CE1-CD1 4.28Å; F79-L99 HydrophobicContact CE2-CD1 4.31Å; F79-L99 HydrophobicContact CZ-CD1 3.62Å |
| 80 | S | 84.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | L76 L77 P78 S83 S84 I104 W108 L417 | L76-S80 WeakPolarHBondContact O-CB 3.25Å; L76-S80 PolarHBondContact O-N 3Å; L76-S80 PolarHBondContact O-OG 2.72Å; L77-S80 WeakPolarHBondContact O-CB 3.5Å; L77-S80 PolarHBondContact O-N 2.91Å; L77-S80 VanDerWaalsContact O-N 3.09Å; P78-S80 VanDerWaalsContact C-N 3.34Å; P78-S80 PolarHBondContact O-N 3.2Å; S80-S83 PolarHBondContact O-N 3.5Å; S80-S84 WeakPolarHBondContact O-CB 2.99Å; S80-S84 PolarHBondContact O-N 3.17Å; S80-I104 VanDerWaalsContact OG-CG2 3.32Å; S80-I104 WeakPolarHBondContact OG-CG2 3.3Å; S80-W108 PolarHBondContact OG-NE1 3.19Å; S80-L417 VanDerWaalsContact CB-CD1 3.43Å; S80-L417 VanDerWaalsContact OG-CD1 3.3Å; S80-L417 WeakPolarHBondContact OG-CD1 3.48Å |
| 81 | I | 81 | Confident | 83.5 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.046 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -50.9 | 177.7 | -65.7 | 166.4 | 0 | 0 | 0 | 110.4 | L77 P78 S83 S84 E85 A350 E353 I354 T413 F415 | L77-I81 WeakPolarHBondContact O-CG1 3.27Å; L77-I81 PolarHBondContact O-N 3.5Å; P78-I81 PolarHBondContact O-N 3.2Å; I81-S83 VanDerWaalsContact C-N 3.27Å; I81-S83 PolarHBondContact O-N 3.13Å; I81-S84 PolarHBondContact O-N 2.71Å; I81-E85 PolarHBondContact O-N 2.85Å; I81-A350 HydrophobicContact CG2-CB 3.69Å; I81-E353 HydrophobicContact CD1-CB 4.37Å; I81-I354 HydrophobicContact CB-CD1 4.42Å; I81-I354 HydrophobicContact CB-CG1 4.37Å; I81-I354 HydrophobicContact CD1-CG1 4.34Å; I81-I354 HydrophobicContact CG2-CD1 4Å; I81-I354 HydrophobicContact CG2-CG1 4.16Å; I81-T413 HydrophobicContact CD1-CG2 4.36Å; I81-F415 HydrophobicContact CG1-CD2 4.3Å; I81-F415 HydrophobicContact CG1-CG 4.49Å |
| 82 | I | 84 | Confident | 82.5 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.7 | -69.4 | 167.5 | 0 | 0 | 0 | 110.2 | P78 F79 S84 E85 I86 I354 | P78-I82 WeakPolarHBondContact O-CB 3.4Å; P78-I82 WeakPolarHBondContact O-CD1 3.45Å; P78-I82 WeakPolarHBondContact O-CG1 3.32Å; P78-I82 PolarHBondContact O-N 3.48Å; F79-I82 PolarHBondContact O-N 3.16Å; I82-S84 PolarHBondContact O-N 2.91Å; I82-E85 PolarHBondContact O-N 3.42Å; I82-I86 HydrophobicContact CG2-CD1 3.48Å; I82-I86 VanDerWaalsContact CG2-CD1 3.48Å; I82-I86 HydrophobicContact CG2-CG1 4.21Å; I82-I86 WeakPolarHBondContact O-CB 3.28Å; I82-I86 VanDerWaalsContact O-CG1 3.24Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.3Å; I82-I354 HydrophobicContact CD1-CD1 4.04Å; I82-I354 HydrophobicContact CG1-CD1 3.5Å; I82-I354 VanDerWaalsContact CG1-CD1 3.5Å |
| 83 | S | 82 | Confident | 82 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | -178.8 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | F79 S80 I81 E85 I86 L87 L99 | F79-S83 WeakPolarHBondContact O-CB 3.33Å; F79-S83 PolarHBondContact O-N 3.03Å; F79-S83 PolarHBondContact O-OG 3.39Å; S80-S83 PolarHBondContact O-N 3.5Å; I81-S83 VanDerWaalsContact C-N 3.27Å; I81-S83 PolarHBondContact O-N 3.13Å; S83-E85 VanDerWaalsContact C-N 3.33Å; S83-E85 PolarHBondContact O-N 3.3Å; S83-I86 PolarHBondContact O-N 2.96Å; S83-L87 WeakPolarHBondContact O-CB 3.39Å; S83-L87 VanDerWaalsContact O-CD1 3.3Å; S83-L87 WeakPolarHBondContact O-CD1 3.45Å; S83-L87 PolarHBondContact O-N 3.4Å; S83-L99 VanDerWaalsContact CA-CD2 3.48Å; S83-L99 VanDerWaalsContact CB-CD2 3.46Å; S83-L99 WeakPolarHBondContact OG-CD1 3.26Å |
| 84 | S | 79.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | S80 I81 I82 L88 | S80-S84 WeakPolarHBondContact O-CB 2.99Å; S80-S84 PolarHBondContact O-N 3.17Å; I81-S84 PolarHBondContact O-N 2.71Å; I82-S84 PolarHBondContact O-N 2.91Å; S84-L88 WeakPolarHBondContact O-CG 3.16Å; S84-L88 PolarHBondContact O-N 3.44Å; S84-L88 VanDerWaalsContact O-N 3.13Å |
| 85 | E | 80.5 | Confident | 80.5 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72 | -37.3 | -179.9 | -166.4 | 61.6 | -146.5 | 0 | 0 | 112.2 | I81 I82 S83 L88 S89 V347 | I81-E85 PolarHBondContact O-N 2.85Å; I82-E85 PolarHBondContact O-N 3.42Å; S83-E85 VanDerWaalsContact C-N 3.33Å; S83-E85 PolarHBondContact O-N 3.3Å; E85-L88 PolarHBondContact O-N 3.28Å; E85-S89 WeakPolarHBondContact O-CB 3.26Å; E85-S89 PolarHBondContact O-N 2.85Å; E85-S89 PolarHBondContact O-OG 3.44Å; E85-V347 HydrophobicContact CG-CB 4.44Å; E85-V347 HydrophobicContact CG-CG1 4.48Å; E85-V347 HydrophobicContact CG-CG2 3.86Å; E85-V347 WeakPolarHBondContact OE1-CG2 3.27Å |
| 86 | I | 80.8 | Confident | 79.9 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.3 | -71.4 | 172 | 0 | 0 | 0 | 110.8 | I82 S83 L88 S89 F90 I96 L99 | I82-I86 HydrophobicContact CG2-CD1 3.48Å; I82-I86 VanDerWaalsContact CG2-CD1 3.48Å; I82-I86 HydrophobicContact CG2-CG1 4.21Å; I82-I86 WeakPolarHBondContact O-CB 3.28Å; I82-I86 VanDerWaalsContact O-CG1 3.24Å; I82-I86 WeakPolarHBondContact O-CG1 3.41Å; I82-I86 PolarHBondContact O-N 3.3Å; S83-I86 PolarHBondContact O-N 2.96Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 3.41Å; I86-S89 PolarHBondContact O-N 2.88Å; I86-F90 PolarHBondContact O-N 3.04Å; I86-I96 HydrophobicContact CG2-CD1 4.13Å; I86-I96 HydrophobicContact CG2-CG2 3.55Å; I86-L99 HydrophobicContact CG2-CD2 4.44Å |
| 87 | L | 77.9 | Confident | 79.2 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.6 | -89.3 | 149.1 | 0 | 0 | 0 | 111.9 | S83 L99 I337 | S83-L87 WeakPolarHBondContact O-CB 3.39Å; S83-L87 VanDerWaalsContact O-CD1 3.3Å; S83-L87 WeakPolarHBondContact O-CD1 3.45Å; S83-L87 PolarHBondContact O-N 3.4Å; L87-L99 WeakPolarHBondContact CD1-O 3.2Å; L87-L99 WeakPolarHBondContact CD2-O 3.34Å; L87-L99 WeakPolarHBondContact CG-O 3.17Å; L87-I337 HydrophobicContact CD1-CG2 4.44Å |
| 88 | L | 75.4 | Confident | 78.9 | Confident | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.293 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 176.3 | -73.8 | 172.2 | 0 | 0 | 0 | 112.4 | S84 E85 I86 G338 | S84-L88 WeakPolarHBondContact O-CG 3.16Å; S84-L88 PolarHBondContact O-N 3.44Å; S84-L88 VanDerWaalsContact O-N 3.13Å; E85-L88 PolarHBondContact O-N 3.28Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 3.41Å; L88-G338 WeakPolarHBondContact CD2-O 3.19Å |
| 89 | S | 78.4 | Confident | 78.4 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.2 | -32.6 | -178.7 | -62.5 | 0 | 0 | 0 | 0 | 113 | E85 I86 | E85-S89 WeakPolarHBondContact O-CB 3.26Å; E85-S89 PolarHBondContact O-N 2.85Å; E85-S89 PolarHBondContact O-OG 3.44Å; I86-S89 PolarHBondContact O-N 2.88Å |
| 90 | F | 79.4 | Confident | 77.9 | Confident | 117 Ų | 117 | 72.6 Ų | 72.6 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | trans | -131.3 | 63.9 | -175.2 | -60.8 | -76.1 | 0 | 0 | 0 | 113.3 | I86 R92 N93 I96 | I86-F90 PolarHBondContact O-N 3.04Å; F90-R92 PolarHBondContact O-N 3.44Å; F90-R92 VanDerWaalsContact O-N 3.11Å; F90-N93 HydrophobicContact CB-CB 4.13Å; F90-N93 PolarHBondContact O-N 3.33Å; F90-I96 HydrophobicContact CB-CD1 3.71Å; F90-I96 HydrophobicContact CD2-CD1 3.92Å; F90-I96 HydrophobicContact CG-CD1 3.93Å | ||
| 91 | P | 74.2 | Confident | 77.4 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.3 | -172.1 | 25.5 | -35 | 0 | 0 | 0 | 114.2 | ||
| 92 | R | 72.4 | Confident | 77.4 | Confident | 237 Ų | 237 | 75.9 Ų | 75.9 | 89% | 0.894 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 2.8 | -175.3 | -69 | -174.4 | 174.5 | 173.2 | -1.2 | 114.6 | F90 Y94 | F90-R92 PolarHBondContact O-N 3.44Å; F90-R92 VanDerWaalsContact O-N 3.11Å; R92-Y94 PolarHBondContact O-N 3.37Å |
| 93 | N | 80.8 | Confident | 77.3 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | trans | -88.2 | 112.5 | -175.5 | -167 | -3.8 | 0 | 0 | 0 | 111.5 | F90 Y95 I96 Q97 | F90-N93 HydrophobicContact CB-CB 4.13Å; F90-N93 PolarHBondContact O-N 3.33Å; N93-Y95 PolarHBondContact O-N 3.19Å; N93-Y95 PolarHBondContact OD1-N 2.89Å; N93-I96 HydrophobicContact CB-CB 4.4Å; N93-I96 HydrophobicContact CB-CD1 4.13Å; N93-I96 HydrophobicContact CB-CG1 4.37Å; N93-I96 PolarHBondContact O-N 3.32Å; N93-Q97 PolarHBondContact O-N 3.24Å | ||
| 94 | Y | 74 | Confident | 77.3 | Confident | 182 Ų | 182 | 72.2 Ų | 72.2 | 71% | 0.714 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.9 | 178.6 | -178.4 | -100.8 | 0 | 0 | 0 | 112.8 | R92 I96 Q97 | R92-Y94 PolarHBondContact O-N 3.37Å; Y94-I96 PolarHBondContact O-N 2.98Å; Y94-Q97 PolarHBondContact O-N 3.21Å |
| 95 | Y | 73.7 | Confident | 77.3 | Confident | 186 Ų | 186 | 75.4 Ų | 75.4 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.2 | 180 | -67.6 | -72.7 | 0 | 0 | 0 | 114.8 | N93 W98 | N93-Y95 PolarHBondContact O-N 3.19Å; N93-Y95 PolarHBondContact OD1-N 2.89Å; Y95-W98 PolarHBondContact O-NE1 3.43Å |
| 96 | I | 77.9 | Confident | 77.4 | Confident | 31 Ų | 31 | 74.9 Ų | 74.9 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -17.1 | -178.3 | -65.5 | 173.7 | 0 | 0 | 0 | 110.9 | I86 F90 N93 Y94 W98 L99 | I86-I96 HydrophobicContact CG2-CD1 4.13Å; I86-I96 HydrophobicContact CG2-CG2 3.55Å; F90-I96 HydrophobicContact CB-CD1 3.71Å; F90-I96 HydrophobicContact CD2-CD1 3.92Å; F90-I96 HydrophobicContact CG-CD1 3.93Å; N93-I96 HydrophobicContact CB-CB 4.4Å; N93-I96 HydrophobicContact CB-CD1 4.13Å; N93-I96 HydrophobicContact CB-CG1 4.37Å; N93-I96 PolarHBondContact O-N 3.32Å; Y94-I96 PolarHBondContact O-N 2.98Å; I96-W98 PolarHBondContact O-N 3.31Å; I96-L99 VanDerWaalsContact O-CB 3.25Å; I96-L99 WeakPolarHBondContact O-CB 3.33Å; I96-L99 PolarHBondContact O-N 2.82Å |
| 97 | Q | 71.9 | Confident | 77.6 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -5.9 | 179.2 | -73.5 | 175.8 | -8.7 | 0 | 0 | 114.8 | N93 Y94 L99 N100 | N93-Q97 PolarHBondContact O-N 3.24Å; Y94-Q97 PolarHBondContact O-N 3.21Å; Q97-L99 VanDerWaalsContact C-N 3.27Å; Q97-N100 PolarHBondContact O-ND2 3.11Å; Q97-N100 PolarHBondContact O-OD1 3.4Å |
| 98 | W | 76.8 | Confident | 77.9 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -22.8 | 168.8 | 64.8 | -91.6 | 0 | 0 | 0 | 112 | I22 Y95 I96 N100 L103 | I22-W98 HydrophobicContact CD1-CE3 3.53Å; I22-W98 HydrophobicContact CD1-CZ3 3.68Å; I22-W98 HydrophobicContact CG2-CZ3 4.42Å; Y95-W98 PolarHBondContact O-NE1 3.43Å; I96-W98 PolarHBondContact O-N 3.31Å; W98-N100 VanDerWaalsContact C-N 3.34Å; W98-N100 PolarHBondContact O-N 3.27Å; W98-N100 VanDerWaalsContact O-N 3.12Å; W98-L103 HydrophobicContact CE3-CD2 3.88Å; W98-L103 HydrophobicContact CZ3-CD2 3.7Å |
| 99 | L | 75.9 | Confident | 78.2 | Confident | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -83.6 | 79 | 178 | -166.8 | 74 | 0 | 0 | 0 | 108.5 | F79 S83 I86 L87 I96 Q97 L103 | F79-L99 HydrophobicContact CE1-CD1 4.28Å; F79-L99 HydrophobicContact CE2-CD1 4.31Å; F79-L99 HydrophobicContact CZ-CD1 3.62Å; S83-L99 VanDerWaalsContact CA-CD2 3.48Å; S83-L99 VanDerWaalsContact CB-CD2 3.46Å; S83-L99 WeakPolarHBondContact OG-CD1 3.26Å; I86-L99 HydrophobicContact CG2-CD2 4.44Å; L87-L99 WeakPolarHBondContact CD1-O 3.2Å; L87-L99 WeakPolarHBondContact CD2-O 3.34Å; L87-L99 WeakPolarHBondContact CG-O 3.17Å; I96-L99 VanDerWaalsContact O-CB 3.25Å; I96-L99 WeakPolarHBondContact O-CB 3.33Å; I96-L99 PolarHBondContact O-N 2.82Å; Q97-L99 VanDerWaalsContact C-N 3.27Å; L99-L103 HydrophobicContact CD1-CD2 4.14Å |
| 100 | N | 76.1 | Confident | 78.6 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | trans | -109.1 | 167.2 | -177.5 | -70.7 | -27.1 | 0 | 0 | 0 | 112.1 | Q97 W98 S102 L103 I104 | Q97-N100 PolarHBondContact O-ND2 3.11Å; Q97-N100 PolarHBondContact O-OD1 3.4Å; W98-N100 VanDerWaalsContact C-N 3.34Å; W98-N100 PolarHBondContact O-N 3.27Å; W98-N100 VanDerWaalsContact O-N 3.12Å; N100-S102 PolarHBondContact O-N 3.33Å; N100-L103 PolarHBondContact O-N 3.12Å; N100-I104 PolarHBondContact O-N 3.21Å | ||
| 101 | G | 73.9 | Confident | 79 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.8 | -34.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L103 I104 H105 | G101-L103 PolarHBondContact O-N 2.98Å; G101-I104 PolarHBondContact O-N 3.45Å; G101-H105 PolarHBondContact O-CD2 3.31Å; G101-H105 PolarHBondContact O-N 3.5Å |
| 102 | S | 79.4 | Confident | 79.4 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 177.4 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | E19 N100 I104 H105 G106 | E19-S102 WeakPolarHBondContact OE1-CB 3.48Å; E19-S102 PolarHBondContact OE1-OG 2.96Å; N100-S102 PolarHBondContact O-N 3.33Å; S102-I104 VanDerWaalsContact C-N 3.35Å; S102-I104 PolarHBondContact O-N 2.99Å; S102-H105 PolarHBondContact O-N 3.1Å; S102-G106 PolarHBondContact O-N 3.3Å |
| 103 | L | 82.2 | Confident | 80 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.5 | 176.3 | 71.5 | 0 | 0 | 0 | 110.9 | E19 I22 W98 L99 N100 G101 G106 L107 | E19-L103 HydrophobicContact CB-CD1 3.94Å; E19-L103 HydrophobicContact CG-CB 4.19Å; E19-L103 HydrophobicContact CG-CD1 3.7Å; I22-L103 HydrophobicContact CB-CD1 4.4Å; I22-L103 HydrophobicContact CD1-CD1 4.36Å; I22-L103 HydrophobicContact CD1-CD2 4.31Å; I22-L103 HydrophobicContact CG2-CD1 4.38Å; W98-L103 HydrophobicContact CE3-CD2 3.88Å; W98-L103 HydrophobicContact CZ3-CD2 3.7Å; L99-L103 HydrophobicContact CD1-CD2 4.14Å; N100-L103 PolarHBondContact O-N 3.12Å; G101-L103 PolarHBondContact O-N 2.98Å; L103-G106 PolarHBondContact O-N 3.02Å; L103-L107 PolarHBondContact O-N 3.4Å |
| 104 | I | 81.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -48.6 | -179.1 | -61.4 | 170.2 | 0 | 0 | 0 | 110 | S80 N100 G101 S102 G106 L107 W108 I337 L417 | S80-I104 VanDerWaalsContact OG-CG2 3.32Å; S80-I104 WeakPolarHBondContact OG-CG2 3.3Å; N100-I104 PolarHBondContact O-N 3.21Å; G101-I104 PolarHBondContact O-N 3.45Å; S102-I104 VanDerWaalsContact C-N 3.35Å; S102-I104 PolarHBondContact O-N 2.99Å; I104-G106 VanDerWaalsContact C-N 3.29Å; I104-G106 PolarHBondContact O-N 3.49Å; I104-L107 PolarHBondContact O-N 3.37Å; I104-W108 VanDerWaalsContact O-CD1 3.27Å; I104-W108 PolarHBondContact O-N 3.28Å; I104-I337 HydrophobicContact CD1-CD1 4.34Å; I104-L417 HydrophobicContact CG2-CD1 3.38Å; I104-L417 HydrophobicContact CG2-CD2 3.84Å; I104-L417 HydrophobicContact CG2-CG 4.27Å |
| 105 | H | 80.6 | Confident | 81.2 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 35% | 0.347 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 173.6 | -79.4 | -71.7 | 0 | 0 | 0 | 111.8 | G101 S102 L107 W108 N109 | G101-H105 PolarHBondContact O-CD2 3.31Å; G101-H105 PolarHBondContact O-N 3.5Å; S102-H105 PolarHBondContact O-N 3.1Å; H105-L107 PolarHBondContact O-N 2.79Å; H105-W108 PolarHBondContact O-N 3.45Å; H105-N109 PolarHBondContact O-N 2.82Å; H105-N109 PolarHBondContact O-OD1 3.35Å; H105-N109 VanDerWaalsContact O-OD1 3.13Å |
| 106 | G | 82.1 | Confident | 81.8 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S102 L103 I104 N109 L110 | S102-G106 PolarHBondContact O-N 3.3Å; L103-G106 PolarHBondContact O-N 3.02Å; I104-G106 VanDerWaalsContact C-N 3.29Å; I104-G106 PolarHBondContact O-N 3.49Å; G106-N109 PolarHBondContact O-N 3Å; G106-L110 VanDerWaalsContact O-CB 3.31Å; G106-L110 WeakPolarHBondContact O-CB 3.25Å; G106-L110 PolarHBondContact O-N 3.37Å |
| 107 | L | 85 | Confident | 82.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 177.7 | -144 | 115.2 | 0 | 0 | 0 | 111.3 | L26 L76 L103 I104 H105 L110 V111 | L26-L107 HydrophobicContact CD1-CD1 3.88Å; L76-L107 HydrophobicContact CD2-CB 3.92Å; L76-L107 HydrophobicContact CD2-CD2 3.24Å; L76-L107 HydrophobicContact CD2-CG 4.05Å; L76-L107 HydrophobicContact CG-CD2 4.1Å; L103-L107 PolarHBondContact O-N 3.4Å; I104-L107 PolarHBondContact O-N 3.37Å; H105-L107 PolarHBondContact O-N 2.79Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-V111 WeakPolarHBondContact O-CB 3.41Å; L107-V111 VanDerWaalsContact O-CG2 3.28Å; L107-V111 WeakPolarHBondContact O-CG2 3.35Å; L107-V111 PolarHBondContact O-N 2.72Å |
| 108 | W | 83 | Confident | 83.3 | Confident | 25 Ų | 25 | 39 Ų | 39 | 10% | 0.095 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 175.9 | -89 | 91.2 | 0 | 0 | 0 | 111.8 | L76 L77 S80 I104 H105 L110 V111 S112 P404 L417 L418 | L76-W108 HydrophobicContact CB-CZ2 3.97Å; L76-W108 HydrophobicContact CD1-CD2 3.81Å; L76-W108 HydrophobicContact CD1-CE3 3.87Å; L76-W108 HydrophobicContact CD1-CG 4.27Å; L76-W108 HydrophobicContact CD1-CH2 4.41Å; L76-W108 HydrophobicContact CD1-CZ2 4.35Å; L76-W108 HydrophobicContact CD1-CZ3 4.18Å; L76-W108 HydrophobicContact CD2-CB 4.46Å; L76-W108 HydrophobicContact CD2-CD2 4.11Å; L76-W108 HydrophobicContact CD2-CG 3.87Å; L76-W108 HydrophobicContact CG-CD2 4.45Å; L77-W108 HydrophobicContact CD2-CH2 4.18Å; L77-W108 HydrophobicContact CD2-CZ2 3.67Å; L77-W108 HydrophobicContact CG-CH2 4.14Å; L77-W108 HydrophobicContact CG-CZ2 3.85Å; S80-W108 PolarHBondContact OG-NE1 3.19Å; I104-W108 VanDerWaalsContact O-CD1 3.27Å; I104-W108 PolarHBondContact O-N 3.28Å; H105-W108 PolarHBondContact O-N 3.45Å; W108-L110 VanDerWaalsContact C-N 3.35Å; W108-L110 PolarHBondContact O-N 3.01Å; W108-V111 PolarHBondContact O-N 3.35Å; W108-S112 WeakPolarHBondContact O-CB 3.42Å; W108-S112 PolarHBondContact O-N 3.21Å; W108-P404 HydrophobicContact CH2-CB 3.76Å; W108-P404 HydrophobicContact CH2-CG 3.75Å; W108-P404 HydrophobicContact CZ3-CB 4.45Å; W108-P404 HydrophobicContact CZ3-CG 4.35Å; W108-L417 HydrophobicContact CG-CD2 4.49Å; W108-L417 HydrophobicContact CZ2-CB 4.46Å; W108-L418 HydrophobicContact CH2-CD1 4.38Å |
| 109 | N | 82.7 | Confident | 83.8 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.4 | -68.6 | 4.4 | 0 | 0 | 0 | 111.2 | H105 G106 S112 L113 F421 | H105-N109 PolarHBondContact O-N 2.82Å; H105-N109 PolarHBondContact O-OD1 3.35Å; H105-N109 VanDerWaalsContact O-OD1 3.13Å; G106-N109 PolarHBondContact O-N 3Å; N109-S112 PolarHBondContact O-N 3.2Å; N109-L113 VanDerWaalsContact O-CB 3.27Å; N109-L113 WeakPolarHBondContact O-CB 3.39Å; N109-L113 PolarHBondContact O-N 2.84Å; N109-F421 WeakPolarHBondContact OD1-CE2 3.48Å; N109-F421 WeakPolarHBondContact OD1-CZ 3.49Å |
| 110 | L | 86.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -48.3 | -178.7 | -171.7 | 69 | 0 | 0 | 0 | 111.7 | C23 G106 L107 W108 L113 F114 | C23-L110 HydrophobicContact CB-CD2 3.76Å; G106-L110 VanDerWaalsContact O-CB 3.31Å; G106-L110 WeakPolarHBondContact O-CB 3.25Å; G106-L110 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.35Å; W108-L110 VanDerWaalsContact C-N 3.35Å; W108-L110 PolarHBondContact O-N 3.01Å; L110-L113 PolarHBondContact O-N 2.84Å; L110-F114 HydrophobicContact CD1-CD2 3.97Å; L110-F114 HydrophobicContact CD1-CE2 3.29Å; L110-F114 HydrophobicContact CD1-CZ 3.73Å; L110-F114 HydrophobicContact CD2-CE2 4.06Å; L110-F114 HydrophobicContact CG-CD2 3.78Å; L110-F114 HydrophobicContact CG-CE2 3.46Å; L110-F114 VanDerWaalsContact CG-CE2 3.46Å; L110-F114 HydrophobicContact CG-CZ 4.38Å; L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 VanDerWaalsContact O-CD2 3.26Å; L110-F114 WeakPolarHBondContact O-CD2 3.32Å; L110-F114 WeakPolarHBondContact O-CG 3.49Å; L110-F114 PolarHBondContact O-N 2.94Å |
| 111 | V | 87.9 | Confident | 84.9 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 11% | 0.109 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 179 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | A73 L76 L107 W108 S115 | A73-V111 HydrophobicContact CB-CG1 3.81Å; L76-V111 HydrophobicContact CD1-CB 3.71Å; L76-V111 HydrophobicContact CD1-CG1 3.58Å; L76-V111 HydrophobicContact CD1-CG2 4.05Å; L76-V111 HydrophobicContact CD2-CG2 4.35Å; L76-V111 HydrophobicContact CG-CB 4.37Å; L76-V111 HydrophobicContact CG-CG1 4.38Å; L76-V111 HydrophobicContact CG-CG2 4.16Å; L107-V111 WeakPolarHBondContact O-CB 3.41Å; L107-V111 VanDerWaalsContact O-CG2 3.28Å; L107-V111 WeakPolarHBondContact O-CG2 3.35Å; L107-V111 PolarHBondContact O-N 2.72Å; W108-V111 PolarHBondContact O-N 3.35Å; V111-S115 VanDerWaalsContact O-CB 3.22Å; V111-S115 WeakPolarHBondContact O-CB 3.3Å; V111-S115 PolarHBondContact O-N 3.04Å; V111-S115 PolarHBondContact O-OG 3.14Å |
| 112 | S | 83.2 | Confident | 85.8 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | W108 N109 F114 S115 N116 | W108-S112 WeakPolarHBondContact O-CB 3.42Å; W108-S112 PolarHBondContact O-N 3.21Å; N109-S112 PolarHBondContact O-N 3.2Å; S112-F114 PolarHBondContact O-N 3.34Å; S112-S115 PolarHBondContact O-N 3.17Å; S112-N116 PolarHBondContact O-N 3.21Å; S112-N116 PolarHBondContact O-ND2 2.86Å |
| 113 | L | 85.2 | Confident | 86.5 | Confident | 105 Ų | 105 | 37.1 Ų | 37.1 | 55% | 0.55 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 176.2 | -177.9 | 158.1 | 0 | 0 | 0 | 111 | N109 L110 S115 N116 L117 | N109-L113 VanDerWaalsContact O-CB 3.27Å; N109-L113 WeakPolarHBondContact O-CB 3.39Å; N109-L113 PolarHBondContact O-N 2.84Å; L110-L113 PolarHBondContact O-N 2.84Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.07Å; L113-N116 PolarHBondContact O-N 3.27Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.4Å |
| 114 | F | 90.1 | Very high | 87 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -32.7 | 179.4 | -70.1 | -40.5 | 0 | 0 | 0 | 112.8 | F65 V69 L110 S112 L117 C118 | F65-F114 HydrophobicContact CE1-CB 4.47Å; F65-F114 HydrophobicContact CE1-CD1 4.44Å; F65-F114 HydrophobicContact CZ-CB 4.39Å; F65-F114 AromaticContact CZ-CD1 3.86Å; F65-F114 HydrophobicContact CZ-CD1 3.86Å; F65-F114 HydrophobicContact CZ-CD2 4.47Å; F65-F114 HydrophobicContact CZ-CE1 4.21Å; F65-F114 HydrophobicContact CZ-CG 4.02Å; V69-F114 HydrophobicContact CG1-CB 3.89Å; V69-F114 HydrophobicContact CG2-CB 3.71Å; V69-F114 HydrophobicContact CG2-CG 4.47Å; L110-F114 HydrophobicContact CD1-CD2 3.97Å; L110-F114 HydrophobicContact CD1-CE2 3.29Å; L110-F114 HydrophobicContact CD1-CZ 3.73Å; L110-F114 HydrophobicContact CD2-CE2 4.06Å; L110-F114 HydrophobicContact CG-CD2 3.78Å; L110-F114 HydrophobicContact CG-CE2 3.46Å; L110-F114 VanDerWaalsContact CG-CE2 3.46Å; L110-F114 HydrophobicContact CG-CZ 4.38Å; L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 VanDerWaalsContact O-CD2 3.26Å; L110-F114 WeakPolarHBondContact O-CD2 3.32Å; L110-F114 WeakPolarHBondContact O-CG 3.49Å; L110-F114 PolarHBondContact O-N 2.94Å; S112-F114 PolarHBondContact O-N 3.34Å; F114-L117 HydrophobicContact CD1-CD2 4.18Å; F114-L117 PolarHBondContact O-N 3.48Å; F114-C118 VanDerWaalsContact O-CB 3.3Å; F114-C118 WeakPolarHBondContact O-CB 3.41Å; F114-C118 PolarHBondContact O-N 3Å; F114-C118 PolarHBondContact O-SG 3.03Å |
| 115 | S | 89.1 | Confident | 87.5 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.2 | -63.8 | 0 | 0 | 0 | 0 | 111 | V69 V111 S112 L113 C118 L119 | V69-S115 WeakPolarHBondContact CG1-OG 3.35Å; V111-S115 VanDerWaalsContact O-CB 3.22Å; V111-S115 WeakPolarHBondContact O-CB 3.3Å; V111-S115 PolarHBondContact O-N 3.04Å; V111-S115 PolarHBondContact O-OG 3.14Å; S112-S115 PolarHBondContact O-N 3.17Å; L113-S115 VanDerWaalsContact C-N 3.33Å; L113-S115 PolarHBondContact O-N 3.07Å; S115-C118 PolarHBondContact O-N 2.93Å; S115-L119 WeakPolarHBondContact O-CB 3.34Å; S115-L119 PolarHBondContact O-N 3.12Å |
| 116 | N | 86.3 | Confident | 88.1 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 176.2 | -70.8 | -26.7 | 0 | 0 | 0 | 111.8 | S112 L113 C118 L119 F120 Y193 | S112-N116 PolarHBondContact O-N 3.21Å; S112-N116 PolarHBondContact O-ND2 2.86Å; L113-N116 PolarHBondContact O-N 3.27Å; N116-C118 VanDerWaalsContact C-N 3.33Å; N116-C118 PolarHBondContact O-N 2.91Å; N116-L119 PolarHBondContact O-N 3.33Å; N116-F120 HydrophobicContact CB-CD2 4.32Å; N116-F120 VanDerWaalsContact O-CD2 3.29Å; N116-F120 WeakPolarHBondContact O-CD2 3.28Å; N116-F120 PolarHBondContact O-N 3.27Å; N116-Y193 WeakPolarHBondContact OD1-CD2 3.49Å; N116-Y193 WeakPolarHBondContact OD1-CE2 3.44Å |
| 117 | L | 89.1 | Confident | 88.7 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 174.5 | -178.6 | 66.8 | 0 | 0 | 0 | 111.5 | L113 F114 V121 L122 | L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 3.4Å; F114-L117 HydrophobicContact CD1-CD2 4.18Å; F114-L117 PolarHBondContact O-N 3.48Å; L117-V121 HydrophobicContact CD1-CB 4.03Å; L117-V121 HydrophobicContact CD1-CG1 4.48Å; L117-V121 HydrophobicContact CD1-CG2 4.06Å; L117-V121 WeakPolarHBondContact O-CA 3.36Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 PolarHBondContact O-N 2.93Å; L117-L122 HydrophobicContact CD2-CD1 4.46Å; L117-L122 HydrophobicContact CG-CD1 4.32Å; L117-L122 HydrophobicContact CG-CG 4.21Å; L117-L122 PolarHBondContact O-N 3.21Å |
| 118 | C | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -60.9 | -51.1 | 176.8 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | F65 T66 F114 S115 N116 L122 M123 L397 | F65-C118 VanDerWaalsContact CD1-SG 3.56Å; F65-C118 VanDerWaalsContact CE1-SG 3.53Å; T66-C118 HydrophobicContact CG2-CB 4.05Å; F114-C118 VanDerWaalsContact O-CB 3.3Å; F114-C118 WeakPolarHBondContact O-CB 3.41Å; F114-C118 PolarHBondContact O-N 3Å; F114-C118 PolarHBondContact O-SG 3.03Å; S115-C118 PolarHBondContact O-N 2.93Å; N116-C118 VanDerWaalsContact C-N 3.33Å; N116-C118 PolarHBondContact O-N 2.91Å; C118-L122 PolarHBondContact O-N 3.39Å; C118-M123 WeakPolarHBondContact O-CB 3.42Å; C118-M123 WeakPolarHBondContact O-CG 3.46Å; C118-M123 PolarHBondContact O-N 3.41Å; C118-L397 HydrophobicContact CB-CD2 3.7Å |
| 119 | L | 88.5 | Confident | 89.5 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -66.9 | -46.9 | -172.8 | -166.7 | 157.2 | 0 | 0 | 0 | 112.3 | S115 N116 P124 I196 L397 V398 | S115-L119 WeakPolarHBondContact O-CB 3.34Å; S115-L119 PolarHBondContact O-N 3.12Å; N116-L119 PolarHBondContact O-N 3.33Å; L119-P124 VanDerWaalsContact O-CD 3.26Å; L119-P124 WeakPolarHBondContact O-CD 3.31Å; L119-P124 WeakPolarHBondContact O-CG 3.27Å; L119-I196 HydrophobicContact CD1-CD1 4.08Å; L119-I196 HydrophobicContact CD1-CG2 3.64Å; L119-I196 HydrophobicContact CD2-CD1 3.59Å; L119-L397 HydrophobicContact CB-CD2 4.09Å; L119-V398 HydrophobicContact CD1-CG2 3.94Å |
| 120 | F | 85.6 | Confident | 89.7 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 31% | 0.311 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -89.8 | -26.4 | -173.3 | -65.9 | -65.8 | 0 | 0 | 0 | 114.2 | N116 L189 L192 I196 | N116-F120 HydrophobicContact CB-CD2 4.32Å; N116-F120 VanDerWaalsContact O-CD2 3.29Å; N116-F120 WeakPolarHBondContact O-CD2 3.28Å; N116-F120 PolarHBondContact O-N 3.27Å; F120-L189 HydrophobicContact CE2-CD2 4.48Å; F120-L192 HydrophobicContact CE1-CB 4.36Å; F120-L192 HydrophobicContact CZ-CB 3.96Å; F120-I196 HydrophobicContact CE1-CD1 3.49Å; F120-I196 VanDerWaalsContact CE1-CD1 3.49Å; F120-I196 HydrophobicContact CE2-CD1 4.14Å; F120-I196 HydrophobicContact CZ-CD1 3.21Å |
| 121 | V | 88.7 | Confident | 89.9 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -116.1 | -61.4 | -173.2 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | L117 F125 | L117-V121 HydrophobicContact CD1-CB 4.03Å; L117-V121 HydrophobicContact CD1-CG1 4.48Å; L117-V121 HydrophobicContact CD1-CG2 4.06Å; L117-V121 WeakPolarHBondContact O-CA 3.36Å; L117-V121 VanDerWaalsContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CB 3.33Å; L117-V121 PolarHBondContact O-N 2.93Å; V121-F125 WeakPolarHBondContact O-CB 3.33Å; V121-F125 PolarHBondContact O-N 2.96Å |
| 122 | L | 93 | Very high | 89.9 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -71 | -40 | -167.1 | -55.3 | -179.8 | 0 | 0 | 0 | 113.6 | L62 F65 L117 C118 A126 | L62-L122 HydrophobicContact CD2-CB 4.46Å; L62-L122 HydrophobicContact CD2-CD2 4.14Å; F65-L122 HydrophobicContact CD1-CD1 3.57Å; F65-L122 HydrophobicContact CE1-CD1 3.72Å; L117-L122 HydrophobicContact CD2-CD1 4.46Å; L117-L122 HydrophobicContact CG-CD1 4.32Å; L117-L122 HydrophobicContact CG-CG 4.21Å; L117-L122 PolarHBondContact O-N 3.21Å; C118-L122 PolarHBondContact O-N 3.39Å; L122-A126 WeakPolarHBondContact O-CB 3.39Å; L122-A126 PolarHBondContact O-N 3.26Å |
| 123 | M | 93.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.8 | -44.5 | -177 | -62.4 | -57.1 | -76.7 | 0 | 0 | 112.8 | T66 C118 F125 A126 Y127 I390 C393 V394 | T66-M123 HydrophobicContact CG2-CE 4.22Å; T66-M123 HydrophobicContact CG2-CG 4Å; T66-M123 HydrophobicContact CG2-SD 3.72Å; T66-M123 PolarHBondContact OG1-SD 3.35Å; C118-M123 WeakPolarHBondContact O-CB 3.42Å; C118-M123 WeakPolarHBondContact O-CG 3.46Å; C118-M123 PolarHBondContact O-N 3.41Å; M123-F125 VanDerWaalsContact C-N 3.29Å; M123-F125 PolarHBondContact O-N 3.31Å; M123-A126 PolarHBondContact O-N 3.44Å; M123-Y127 PolarHBondContact O-N 2.91Å; M123-I390 HydrophobicContact CE-CB 4.13Å; M123-I390 HydrophobicContact CE-CG1 4.47Å; M123-I390 HydrophobicContact CE-CG2 3.71Å; M123-I390 WeakPolarHBondContact CE-O 2.96Å; M123-C393 HydrophobicContact CE-CB 3.41Å; M123-C393 VanDerWaalsContact CE-CB 3.41Å; M123-V394 HydrophobicContact CB-CG2 3.63Å; M123-V394 HydrophobicContact CE-CG2 3.57Å; M123-V394 HydrophobicContact CG-CG2 3.8Å |
| 124 | P | 92.3 | Very high | 89.7 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 169.1 | -26.2 | 37.2 | 0 | 0 | 0 | 112 | L119 Y127 F128 L153 L156 | L119-P124 VanDerWaalsContact O-CD 3.26Å; L119-P124 WeakPolarHBondContact O-CD 3.31Å; L119-P124 WeakPolarHBondContact O-CG 3.27Å; P124-Y127 PolarHBondContact O-N 3.12Å; P124-F128 WeakPolarHBondContact O-CD2 3.5Å; P124-F128 PolarHBondContact O-N 3.4Å; P124-L153 HydrophobicContact CB-CD2 3.56Å; P124-L156 HydrophobicContact CB-CD2 4.43Å |
| 125 | F | 93.1 | Very high | 89.2 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -50.2 | 174.5 | 177.8 | -91.2 | 0 | 0 | 0 | 111.4 | L62 V121 M123 Y127 F128 F129 T149 F150 L153 | L62-F125 HydrophobicContact CD1-CD1 3.56Å; L62-F125 HydrophobicContact CD1-CE1 3.9Å; V121-F125 WeakPolarHBondContact O-CB 3.33Å; V121-F125 PolarHBondContact O-N 2.96Å; M123-F125 VanDerWaalsContact C-N 3.29Å; M123-F125 PolarHBondContact O-N 3.31Å; F125-Y127 PolarHBondContact O-N 3.02Å; F125-F128 PolarHBondContact O-N 3.02Å; F125-F129 HydrophobicContact CD1-CB 4.49Å; F125-F129 HydrophobicContact CE1-CB 4.23Å; F125-F129 HydrophobicContact CE1-CD1 4.31Å; F125-F129 HydrophobicContact CE1-CG 4.21Å; F125-F129 HydrophobicContact CZ-CB 4.45Å; F125-F129 HydrophobicContact CZ-CD2 4.42Å; F125-F129 HydrophobicContact CZ-CG 4.27Å; F125-F129 WeakPolarHBondContact O-CB 3.48Å; F125-F129 PolarHBondContact O-N 3.2Å; F125-T149 WeakPolarHBondContact CE2-OG1 3.49Å; F125-F150 HydrophobicContact CE2-CE2 4.37Å; F125-F150 HydrophobicContact CE2-CZ 4.32Å; F125-L153 HydrophobicContact CB-CD1 3.8Å; F125-L153 HydrophobicContact CD2-CD1 3.7Å; F125-L153 HydrophobicContact CG-CD1 4.24Å |
| 126 | A | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | S59 L62 L122 M123 L130 I390 | S59-A126 PolarHBondContact OG-O 3.01Å; L62-A126 HydrophobicContact CB-CB 4.25Å; L62-A126 HydrophobicContact CD1-CB 3.88Å; L122-A126 WeakPolarHBondContact O-CB 3.39Å; L122-A126 PolarHBondContact O-N 3.26Å; M123-A126 PolarHBondContact O-N 3.44Å; A126-L130 WeakPolarHBondContact O-CG 3.37Å; A126-L130 PolarHBondContact O-N 3.29Å; A126-I390 HydrophobicContact CB-CD1 3.85Å; A126-I390 HydrophobicContact CB-CG1 4.33Å |
| 127 | Y | 93.4 | Very high | 87.4 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.9 | -55.6 | 176.8 | 179.9 | -93.7 | 0 | 0 | 0 | 111.5 | M123 P124 F125 F129 L130 E131 | M123-Y127 PolarHBondContact O-N 2.91Å; P124-Y127 PolarHBondContact O-N 3.12Å; F125-Y127 PolarHBondContact O-N 3.02Å; Y127-F129 PolarHBondContact O-N 2.83Å; Y127-L130 PolarHBondContact O-N 3.25Å; Y127-E131 PolarHBondContact O-N 3.41Å |
| 128 | F | 92.9 | Very high | 86.4 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -30.9 | 179.5 | -68.6 | -55.7 | 0 | 0 | 0 | 112.3 | P124 F125 L130 E131 S132 T149 M152 L153 L156 | P124-F128 WeakPolarHBondContact O-CD2 3.5Å; P124-F128 PolarHBondContact O-N 3.4Å; F125-F128 PolarHBondContact O-N 3.02Å; F128-L130 VanDerWaalsContact C-N 3.33Å; F128-E131 PolarHBondContact O-N 3.35Å; F128-S132 WeakPolarHBondContact O-CB 3.2Å; F128-S132 PolarHBondContact O-N 3.29Å; F128-S132 PolarHBondContact O-OG 3.47Å; F128-T149 VanDerWaalsContact C-CG2 3.48Å; F128-T149 HydrophobicContact CB-CG2 4.08Å; F128-T149 WeakPolarHBondContact O-CG2 3.32Å; F128-M152 HydrophobicContact CD1-CB 4.34Å; F128-M152 HydrophobicContact CD2-CB 4.38Å; F128-M152 HydrophobicContact CE1-CE 4.27Å; F128-M152 HydrophobicContact CG-CB 4.22Å; F128-L153 HydrophobicContact CD2-CD2 3.78Å; F128-L153 HydrophobicContact CD2-CG 4.2Å; F128-L153 HydrophobicContact CE2-CD2 4.05Å; F128-L156 HydrophobicContact CE2-CD2 3.8Å; F128-L156 HydrophobicContact CZ-CD2 4.19Å |
| 129 | F | 91.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.1 | -31.5 | 178.2 | -170 | -125.5 | 0 | 0 | 0 | 113.5 | V55 I58 F125 Y127 S132 I142 R145 I146 T149 | V55-F129 HydrophobicContact CB-CD1 4.48Å; V55-F129 HydrophobicContact CB-CE1 3.99Å; V55-F129 HydrophobicContact CB-CZ 4.27Å; V55-F129 HydrophobicContact CG1-CD1 3.71Å; V55-F129 HydrophobicContact CG1-CE1 3.71Å; V55-F129 HydrophobicContact CG1-CG 4.2Å; V55-F129 HydrophobicContact CG1-CZ 4.19Å; V55-F129 WeakPolarHBondContact CG1-O 3.45Å; V55-F129 HydrophobicContact CG2-CE1 4Å; V55-F129 HydrophobicContact CG2-CE2 4.31Å; V55-F129 HydrophobicContact CG2-CZ 3.76Å; I58-F129 HydrophobicContact CB-CE1 3.95Å; I58-F129 HydrophobicContact CD1-CE1 3.89Å; I58-F129 HydrophobicContact CD1-CZ 4.14Å; I58-F129 HydrophobicContact CG2-CD1 4.32Å; I58-F129 HydrophobicContact CG2-CE1 3.95Å; F125-F129 HydrophobicContact CD1-CB 4.49Å; F125-F129 HydrophobicContact CE1-CB 4.23Å; F125-F129 HydrophobicContact CE1-CD1 4.31Å; F125-F129 HydrophobicContact CE1-CG 4.21Å; F125-F129 HydrophobicContact CZ-CB 4.45Å; F125-F129 HydrophobicContact CZ-CD2 4.42Å; F125-F129 HydrophobicContact CZ-CG 4.27Å; F125-F129 WeakPolarHBondContact O-CB 3.48Å; F125-F129 PolarHBondContact O-N 3.2Å; Y127-F129 PolarHBondContact O-N 2.83Å; F129-S132 PolarHBondContact O-OG 2.86Å; F129-I142 HydrophobicContact CZ-CG2 4.3Å; F129-R145 HydrophobicContact CE2-CB 4.14Å; F129-I146 HydrophobicContact CD2-CG1 4.37Å; F129-I146 HydrophobicContact CE2-CG1 3.64Å; F129-I146 HydrophobicContact CZ-CG1 4.21Å; F129-T149 HydrophobicContact CB-CG2 3.77Å; F129-T149 HydrophobicContact CD2-CG2 3.86Å; F129-T149 HydrophobicContact CG-CG2 4.32Å |
| 130 | L | 88.8 | Confident | 84.2 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.3 | -33.6 | 170.9 | -73.9 | 167.2 | 0 | 0 | 0 | 112.3 | V55 A126 Y127 F128 M386 T387 I390 | V55-L130 HydrophobicContact CG1-CD2 4.16Å; A126-L130 WeakPolarHBondContact O-CG 3.37Å; A126-L130 PolarHBondContact O-N 3.29Å; Y127-L130 PolarHBondContact O-N 3.25Å; F128-L130 VanDerWaalsContact C-N 3.33Å; L130-M386 HydrophobicContact CD1-CB 3.66Å; L130-M386 HydrophobicContact CD2-CB 4.2Å; L130-T387 HydrophobicContact CD1-CG2 4.43Å; L130-I390 HydrophobicContact CD1-CD1 3.35Å |
| 131 | E | 89 | Confident | 83.8 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -86.2 | -19.7 | -177.4 | -161.5 | 64.8 | -165.3 | 0 | 0 | 113.2 | Y127 F128 E133 | Y127-E131 PolarHBondContact O-N 3.41Å; F128-E131 PolarHBondContact O-N 3.35Å; E131-E133 PolarHBondContact O-N 3.48Å |
| 132 | S | 88.8 | Confident | 83.6 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | trans | -70.1 | 128.8 | -176.7 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | F128 F129 R145 E148 | F128-S132 WeakPolarHBondContact O-CB 3.2Å; F128-S132 PolarHBondContact O-N 3.29Å; F128-S132 PolarHBondContact O-OG 3.47Å; F129-S132 PolarHBondContact O-OG 2.86Å; S132-R145 WeakPolarHBondContact O-CD 3.48Å; S132-R145 PolarHBondContact O-NE 3.3Å; S132-R145 WeakPolarHBondContact OG-CB 3.3Å; S132-E148 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 133 | E | 83.4 | Confident | 83.2 | Confident | 165 Ų | 165 | 75.3 Ų | 75.3 | 77% | 0.771 | 40% | 0.404 | S | S | * | . | trans | -101.8 | -17 | 174.3 | -64.4 | -168.7 | 161.6 | 0 | 0 | 112.6 | E131 E148 | E131-E133 PolarHBondContact O-N 3.48Å; E133-E148 PolarHBondContact N-OE2 3.02Å | ||
| 134 | G | 80.1 | Confident | 82.9 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | trans | 100.4 | 147.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A136 E148 | G134-A136 PolarHBondContact O-N 2.94Å; G134-E148 WeakPolarHBondContact CA-OE2 3.37Å; G134-E148 PolarHBondContact N-OE2 3.35Å | ||
| 135 | F | 79.6 | Confident | 82.7 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | trans | -56.2 | 136.4 | 180 | -71.7 | -76.7 | 0 | 0 | 0 | 113.4 | G137 S138 L147 E148 V151 | F135-G137 PolarHBondContact O-N 3.48Å; F135-G137 VanDerWaalsContact O-N 3.12Å; F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.89Å; F135-L147 HydrophobicContact CD2-CD2 4.16Å; F135-L147 HydrophobicContact CE2-CD2 3.41Å; F135-L147 VanDerWaalsContact CE2-CD2 3.41Å; F135-L147 HydrophobicContact CZ-CD2 4.21Å; F135-E148 HydrophobicContact CD2-CB 4.16Å; F135-E148 HydrophobicContact CE2-CB 3.73Å; F135-E148 HydrophobicContact CE2-CG 4.34Å; F135-E148 HydrophobicContact CZ-CB 4.1Å; F135-E148 HydrophobicContact CZ-CG 4.25Å; F135-V151 HydrophobicContact CZ-CB 4.15Å; F135-V151 HydrophobicContact CZ-CG1 4.32Å; F135-V151 HydrophobicContact CZ-CG2 4.09Å | ||
| 136 | A | 70.9 | Confident | 82.5 | Confident | 114 Ų | 114 | 77 Ų | 77 | 94% | 0.942 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 116.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G134 | G134-A136 PolarHBondContact O-N 2.94Š|
| 137 | G | 67 | Low | 82.3 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 92% | 0.918 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | -6.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F135 | F135-G137 PolarHBondContact O-N 3.48Å; F135-G137 VanDerWaalsContact O-N 3.12Å |
| 138 | S | 67.6 | Low | 82.2 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 47% | 0.469 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -79.8 | 151.7 | 169.7 | -170 | 0 | 0 | 0 | 0 | 111.1 | F135 K140 | F135-S138 WeakPolarHBondContact O-CB 3.21Å; F135-S138 PolarHBondContact O-N 2.89Å; S138-K140 PolarHBondContact O-N 2.87Å |
| 139 | K | 66.5 | Low | 82.2 | Confident | 194 Ų | 194 | 76.6 Ų | 76.6 | 84% | 0.843 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 128.6 | 170.2 | -69.5 | -175.1 | 178.4 | -177.5 | 0 | 108.2 | G141 | K139-G141 PolarHBondContact O-N 3.49Š|
| 140 | K | 68.9 | Low | 82.2 | Confident | 188 Ų | 188 | 82.5 Ų | 82.5 | 82% | 0.817 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -50.2 | 129.4 | 171.7 | -71 | -168 | 174.5 | -166.6 | 0 | 108.8 | S138 | S138-K140 PolarHBondContact O-N 2.87Š|
| 141 | G | 78.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 83.1 Ų | 83.1 | 19% | 0.186 | 45% | 0.449 | C | S | . | . | S | Bend | trans | 166.7 | 154.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K139 K143 A144 R145 | K139-G141 PolarHBondContact O-N 3.49Å; G141-K143 PolarHBondContact O-N 3.29Å; G141-K143 VanDerWaalsContact O-N 3.12Å; G141-A144 PolarHBondContact O-N 3.18Å; G141-R145 PolarHBondContact O-N 3.45Å |
| 142 | I | 84.1 | Confident | 82.4 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.1 | -37.1 | -175.7 | -62.6 | 163.9 | 0 | 0 | 0 | 112.3 | V54 F129 A144 R145 I146 | V54-I142 HydrophobicContact CB-CD1 4.27Å; V54-I142 HydrophobicContact CG1-CD1 3.83Å; F129-I142 HydrophobicContact CZ-CG2 4.3Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.43Å; I142-R145 PolarHBondContact O-N 2.88Å; I142-I146 HydrophobicContact CG2-CD1 3.7Å; I142-I146 HydrophobicContact CG2-CG1 4.16Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.25Å; I142-I146 PolarHBondContact O-N 2.85Å |
| 143 | K | 84.8 | Confident | 82.5 | Confident | 183 Ų | 183 | 81.8 Ų | 81.8 | 80% | 0.796 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 179.6 | -67 | -173.9 | 179.5 | -176.9 | 0 | 112.9 | G141 L147 | G141-K143 PolarHBondContact O-N 3.29Å; G141-K143 VanDerWaalsContact O-N 3.12Å; K143-L147 PolarHBondContact O-N 2.92Å |
| 144 | A | 86.4 | Confident | 82.8 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 11% | 0.107 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | G141 I142 L147 E148 | G141-A144 PolarHBondContact O-N 3.18Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.43Å; A144-L147 PolarHBondContact O-N 3.41Å; A144-E148 PolarHBondContact O-N 2.97Å |
| 145 | R | 88.1 | Confident | 83.3 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 10% | 0.102 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 173.4 | -69.7 | -171.9 | -176.2 | -168.7 | 11.1 | 111.8 | D52 F129 S132 G141 I142 L147 E148 T149 | D52-R145 IonicContact OD1-CZ 2.85Å; D52-R145 VanDerWaalsContact OD1-CZ 3.25Å; D52-R145 IonicContact OD1-NH1 3.25Å; D52-R145 PolarHBondContact OD1-NH1 3.45Å; D52-R145 IonicContact OD1-NH2 2.82Å; D52-R145 PolarHBondContact OD1-NH2 2.9Å; F129-R145 HydrophobicContact CE2-CB 4.14Å; S132-R145 WeakPolarHBondContact O-CD 3.48Å; S132-R145 PolarHBondContact O-NE 3.3Å; S132-R145 WeakPolarHBondContact OG-CB 3.3Å; G141-R145 PolarHBondContact O-N 3.45Å; I142-R145 PolarHBondContact O-N 2.88Å; R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 3.31Å; R145-E148 WeakPolarHBondContact O-CB 3.38Å; R145-E148 PolarHBondContact O-N 3.45Å; R145-T149 WeakPolarHBondContact O-CG2 3.36Å; R145-T149 PolarHBondContact O-N 3.01Å; R145-T149 PolarHBondContact O-OG1 3.45Å |
| 146 | I | 89.6 | Confident | 83.7 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 175.4 | -70.3 | 172.5 | 0 | 0 | 0 | 110.9 | F129 I142 E148 T149 F150 | F129-I146 HydrophobicContact CD2-CG1 4.37Å; F129-I146 HydrophobicContact CE2-CG1 3.64Å; F129-I146 HydrophobicContact CZ-CG1 4.21Å; I142-I146 HydrophobicContact CG2-CD1 3.7Å; I142-I146 HydrophobicContact CG2-CG1 4.16Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.25Å; I142-I146 PolarHBondContact O-N 2.85Å; I146-E148 PolarHBondContact O-N 2.97Å; I146-T149 WeakPolarHBondContact CA-OG1 3.33Å; I146-T149 PolarHBondContact O-N 3.3Å; I146-T149 PolarHBondContact O-OG1 2.98Å; I146-F150 HydrophobicContact CG2-CD2 3.51Å; I146-F150 HydrophobicContact CG2-CE2 3.35Å; I146-F150 WeakPolarHBondContact O-CD2 3.31Å; I146-F150 PolarHBondContact O-N 2.91Å |
| 147 | L | 89.3 | Confident | 84.3 | Confident | 98 Ų | 98 | 79.1 Ų | 79.1 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 178.7 | -161.1 | 158.1 | 0 | 0 | 0 | 111.3 | F135 K143 A144 R145 T149 F150 V151 | F135-L147 HydrophobicContact CD2-CD2 4.16Å; F135-L147 HydrophobicContact CE2-CD2 3.41Å; F135-L147 VanDerWaalsContact CE2-CD2 3.41Å; F135-L147 HydrophobicContact CZ-CD2 4.21Å; K143-L147 PolarHBondContact O-N 2.92Å; A144-L147 PolarHBondContact O-N 3.41Å; R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 3.31Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 3.34Å; L147-F150 PolarHBondContact O-N 2.95Å; L147-V151 HydrophobicContact CD2-CG2 3.84Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.06Å |
| 148 | E | 91.4 | Very high | 85.2 | Confident | 47 Ų | 47 | 79 Ų | 79 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 175.3 | -175.9 | -178.2 | -177.5 | 0 | 0 | 111.5 | S132 E133 G134 F135 A144 R145 I146 F150 V151 M152 | S132-E148 WeakPolarHBondContact CB-OE2 3.36Å; E133-E148 PolarHBondContact N-OE2 3.02Å; G134-E148 WeakPolarHBondContact CA-OE2 3.37Å; G134-E148 PolarHBondContact N-OE2 3.35Å; F135-E148 HydrophobicContact CD2-CB 4.16Å; F135-E148 HydrophobicContact CE2-CB 3.73Å; F135-E148 HydrophobicContact CE2-CG 4.34Å; F135-E148 HydrophobicContact CZ-CB 4.1Å; F135-E148 HydrophobicContact CZ-CG 4.25Å; A144-E148 PolarHBondContact O-N 2.97Å; R145-E148 WeakPolarHBondContact O-CB 3.38Å; R145-E148 PolarHBondContact O-N 3.45Å; I146-E148 PolarHBondContact O-N 2.97Å; E148-F150 PolarHBondContact O-N 3.46Å; E148-V151 PolarHBondContact O-N 3.39Å; E148-M152 HydrophobicContact CG-CG 4.48Å; E148-M152 WeakPolarHBondContact O-CG 3.46Å; E148-M152 PolarHBondContact O-N 2.79Å |
| 149 | T | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.2 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | F125 F128 F129 R145 I146 L147 V151 M152 L153 | F125-T149 WeakPolarHBondContact CE2-OG1 3.49Å; F128-T149 VanDerWaalsContact C-CG2 3.48Å; F128-T149 HydrophobicContact CB-CG2 4.08Å; F128-T149 WeakPolarHBondContact O-CG2 3.32Å; F129-T149 HydrophobicContact CB-CG2 3.77Å; F129-T149 HydrophobicContact CD2-CG2 3.86Å; F129-T149 HydrophobicContact CG-CG2 4.32Å; R145-T149 WeakPolarHBondContact O-CG2 3.36Å; R145-T149 PolarHBondContact O-N 3.01Å; R145-T149 PolarHBondContact O-OG1 3.45Å; I146-T149 WeakPolarHBondContact CA-OG1 3.33Å; I146-T149 PolarHBondContact O-N 3.3Å; I146-T149 PolarHBondContact O-OG1 2.98Å; L147-T149 VanDerWaalsContact C-N 3.33Å; L147-T149 PolarHBondContact O-N 3.34Å; T149-V151 VanDerWaalsContact C-N 3.31Å; T149-V151 PolarHBondContact O-N 3.49Å; T149-M152 PolarHBondContact O-N 3.27Å; T149-L153 WeakPolarHBondContact O-CB 3.26Å; T149-L153 VanDerWaalsContact O-CG 3.27Å; T149-L153 WeakPolarHBondContact O-CG 3.41Å; T149-L153 PolarHBondContact O-N 3.48Å |
| 150 | F | 91.3 | Very high | 86.9 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 177.3 | -83.7 | -63.9 | 0 | 0 | 0 | 111.6 | F125 I146 L147 E148 L153 F154 | F125-F150 HydrophobicContact CE2-CE2 4.37Å; F125-F150 HydrophobicContact CE2-CZ 4.32Å; I146-F150 HydrophobicContact CG2-CD2 3.51Å; I146-F150 HydrophobicContact CG2-CE2 3.35Å; I146-F150 WeakPolarHBondContact O-CD2 3.31Å; I146-F150 PolarHBondContact O-N 2.91Å; L147-F150 PolarHBondContact O-N 2.95Å; E148-F150 PolarHBondContact O-N 3.46Å; F150-L153 PolarHBondContact O-N 3.4Å; F150-F154 WeakPolarHBondContact O-CB 3.49Å; F150-F154 PolarHBondContact O-N 2.85Å |
| 151 | V | 91.6 | Very high | 87.3 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 35% | 0.345 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F135 L147 E148 T149 L153 F154 L155 | F135-V151 HydrophobicContact CZ-CB 4.15Å; F135-V151 HydrophobicContact CZ-CG1 4.32Å; F135-V151 HydrophobicContact CZ-CG2 4.09Å; L147-V151 HydrophobicContact CD2-CG2 3.84Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.06Å; E148-V151 PolarHBondContact O-N 3.39Å; T149-V151 VanDerWaalsContact C-N 3.31Å; T149-V151 PolarHBondContact O-N 3.49Å; V151-L153 PolarHBondContact O-N 2.91Å; V151-F154 PolarHBondContact O-N 2.9Å; V151-L155 HydrophobicContact CG1-CD1 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 3.27Å |
| 152 | M | 91.8 | Very high | 87.4 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 39% | 0.389 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.2 | -70.2 | -59.8 | -71.5 | 0 | 0 | 112.4 | F128 E148 T149 L155 L156 | F128-M152 HydrophobicContact CD1-CB 4.34Å; F128-M152 HydrophobicContact CD2-CB 4.38Å; F128-M152 HydrophobicContact CE1-CE 4.27Å; F128-M152 HydrophobicContact CG-CB 4.22Å; E148-M152 HydrophobicContact CG-CG 4.48Å; E148-M152 WeakPolarHBondContact O-CG 3.46Å; E148-M152 PolarHBondContact O-N 2.79Å; T149-M152 PolarHBondContact O-N 3.27Å; M152-L155 PolarHBondContact O-N 2.95Å; M152-L155 HydrophobicContact SD-CD1 4.48Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 3.49Å |
| 153 | L | 90.8 | Very high | 87.2 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.4 | -73.7 | 172.8 | 0 | 0 | 0 | 112.4 | P124 F125 F128 T149 F150 V151 L156 A157 | P124-L153 HydrophobicContact CB-CD2 3.56Å; F125-L153 HydrophobicContact CB-CD1 3.8Å; F125-L153 HydrophobicContact CD2-CD1 3.7Å; F125-L153 HydrophobicContact CG-CD1 4.24Å; F128-L153 HydrophobicContact CD2-CD2 3.78Å; F128-L153 HydrophobicContact CD2-CG 4.2Å; F128-L153 HydrophobicContact CE2-CD2 4.05Å; T149-L153 WeakPolarHBondContact O-CB 3.26Å; T149-L153 VanDerWaalsContact O-CG 3.27Å; T149-L153 WeakPolarHBondContact O-CG 3.41Å; T149-L153 PolarHBondContact O-N 3.48Å; F150-L153 PolarHBondContact O-N 3.4Å; V151-L153 PolarHBondContact O-N 2.91Å; L153-L156 PolarHBondContact O-N 2.79Å; L153-A157 WeakPolarHBondContact O-CB 3.41Å; L153-A157 PolarHBondContact O-N 2.86Å |
| 154 | F | 88.3 | Confident | 86.7 | Confident | 132 Ų | 132 | 64.2 Ų | 64.2 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 176.3 | -179.5 | -103.6 | 0 | 0 | 0 | 111.2 | F150 V151 A157 L158 | F150-F154 WeakPolarHBondContact O-CB 3.49Å; F150-F154 PolarHBondContact O-N 2.85Å; V151-F154 PolarHBondContact O-N 2.9Å; F154-A157 PolarHBondContact O-N 3.47Å; F154-L158 HydrophobicContact CD1-CD1 3.98Å; F154-L158 HydrophobicContact CD1-CG 4.5Å; F154-L158 HydrophobicContact CE1-CD1 3.43Å; F154-L158 VanDerWaalsContact CE1-CD1 3.43Å; F154-L158 HydrophobicContact CE1-CG 4.14Å; F154-L158 HydrophobicContact CZ-CD1 3.83Å; F154-L158 HydrophobicContact CZ-CD2 4.38Å; F154-L158 HydrophobicContact CZ-CG 4.17Å; F154-L158 WeakPolarHBondContact O-CG 3.23Å; F154-L158 PolarHBondContact O-N 3.39Å |
| 155 | L | 90.9 | Very high | 86.2 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.4 | -70.5 | 174.8 | 0 | 0 | 0 | 112.1 | V151 M152 L158 L159 | V151-L155 HydrophobicContact CG1-CD1 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 3.27Å; M152-L155 PolarHBondContact O-N 2.95Å; M152-L155 HydrophobicContact SD-CD1 4.48Å; L155-L158 PolarHBondContact O-N 3.16Å; L155-L159 WeakPolarHBondContact O-CB 3.22Å; L155-L159 PolarHBondContact O-N 3.41Å |
| 156 | L | 88.3 | Confident | 85.8 | Confident | 55 Ų | 55 | 73 Ų | 73 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.2 | -179.7 | 65.4 | 0 | 0 | 0 | 111.4 | P124 F128 M152 L153 L159 I160 | P124-L156 HydrophobicContact CB-CD2 4.43Å; F128-L156 HydrophobicContact CE2-CD2 3.8Å; F128-L156 HydrophobicContact CZ-CD2 4.19Å; M152-L156 WeakPolarHBondContact O-CB 3.41Å; M152-L156 PolarHBondContact O-N 3.49Å; L153-L156 PolarHBondContact O-N 2.79Å; L156-L159 WeakPolarHBondContact O-CB 3.09Å; L156-L159 PolarHBondContact O-N 3.45Å; L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 WeakPolarHBondContact O-CG1 3.36Å; L156-I160 PolarHBondContact O-N 2.89Å |
| 157 | A | 83.6 | Confident | 85 | Confident | 56 Ų | 56 | 72.3 Ų | 72.3 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L153 F154 L159 I160 L161 | L153-A157 WeakPolarHBondContact O-CB 3.41Å; L153-A157 PolarHBondContact O-N 2.86Å; F154-A157 PolarHBondContact O-N 3.47Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-L159 PolarHBondContact O-N 3.46Å; A157-I160 PolarHBondContact O-N 3.24Å; A157-L161 VanDerWaalsContact O-CB 3.26Å; A157-L161 WeakPolarHBondContact O-CB 3.24Å; A157-L161 PolarHBondContact O-N 2.98Å |
| 158 | L | 85.4 | Confident | 84 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 45% | 0.45 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 174.1 | -72.1 | -179.8 | 0 | 0 | 0 | 112.4 | F154 L155 L161 G162 | F154-L158 HydrophobicContact CD1-CD1 3.98Å; F154-L158 HydrophobicContact CD1-CG 4.5Å; F154-L158 HydrophobicContact CE1-CD1 3.43Å; F154-L158 VanDerWaalsContact CE1-CD1 3.43Å; F154-L158 HydrophobicContact CE1-CG 4.14Å; F154-L158 HydrophobicContact CZ-CD1 3.83Å; F154-L158 HydrophobicContact CZ-CD2 4.38Å; F154-L158 HydrophobicContact CZ-CG 4.17Å; F154-L158 WeakPolarHBondContact O-CG 3.23Å; F154-L158 PolarHBondContact O-N 3.39Å; L155-L158 PolarHBondContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 2.86Å; L158-G162 PolarHBondContact O-N 2.74Å |
| 159 | L | 87.6 | Confident | 83.1 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 55% | 0.55 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 176.6 | -178.9 | 71.2 | 0 | 0 | 0 | 111.4 | L155 L156 A157 L161 G162 I163 | L155-L159 WeakPolarHBondContact O-CB 3.22Å; L155-L159 PolarHBondContact O-N 3.41Å; L156-L159 WeakPolarHBondContact O-CB 3.09Å; L156-L159 PolarHBondContact O-N 3.45Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-L159 PolarHBondContact O-N 3.46Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.36Å; L159-G162 PolarHBondContact O-N 3.07Å; L159-I163 HydrophobicContact CD1-CD1 4.49Å; L159-I163 HydrophobicContact CG-CD1 4.1Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.11Å |
| 160 | I | 81.9 | Confident | 82.2 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 35% | 0.349 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.1 | -67.7 | 168.3 | 0 | 0 | 0 | 110 | L156 A157 G162 I163 V164 | L156-I160 HydrophobicContact CD1-CD1 4.18Å; L156-I160 HydrophobicContact CD1-CG1 4.37Å; L156-I160 HydrophobicContact CG-CD1 3.97Å; L156-I160 WeakPolarHBondContact O-CG1 3.36Å; L156-I160 PolarHBondContact O-N 2.89Å; A157-I160 PolarHBondContact O-N 3.24Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 2.88Å; I160-I163 PolarHBondContact O-N 3.38Å; I160-V164 HydrophobicContact CG2-CG2 4.3Å; I160-V164 WeakPolarHBondContact O-CB 3.32Å; I160-V164 VanDerWaalsContact O-CG2 3.28Å; I160-V164 WeakPolarHBondContact O-CG2 3.25Å; I160-V164 PolarHBondContact O-N 2.99Å |
| 161 | L | 77.3 | Confident | 81.2 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.9 | -170.3 | 159.7 | 0 | 0 | 0 | 111.1 | A157 L158 L159 V164 W165 L184 | A157-L161 VanDerWaalsContact O-CB 3.26Å; A157-L161 WeakPolarHBondContact O-CB 3.24Å; A157-L161 PolarHBondContact O-N 2.98Å; L158-L161 PolarHBondContact O-N 2.86Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.36Å; L161-V164 PolarHBondContact O-N 3.38Å; L161-W165 VanDerWaalsContact O-CB 3.28Å; L161-W165 WeakPolarHBondContact O-CB 3.43Å; L161-W165 PolarHBondContact O-N 3.29Å; L161-L184 HydrophobicContact CD1-CD1 3.44Å; L161-L184 VanDerWaalsContact CD1-CD1 3.44Å; L161-L184 HydrophobicContact CD1-CD2 3.76Å; L161-L184 HydrophobicContact CD1-CG 4.24Å; L161-L184 HydrophobicContact CG-CD1 3.83Å |
| 162 | G | 80.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L158 L159 I160 W165 V166 | L158-G162 PolarHBondContact O-N 2.74Å; L159-G162 PolarHBondContact O-N 3.07Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 2.88Å; G162-W165 PolarHBondContact O-N 2.94Å; G162-V166 VanDerWaalsContact O-CG2 3.31Å; G162-V166 WeakPolarHBondContact O-CG2 3.37Å; G162-V166 PolarHBondContact O-N 3.19Å |
| 163 | I | 81.5 | Confident | 78.2 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 177.1 | -67.8 | 165.2 | 0 | 0 | 0 | 110.8 | L159 I160 W165 V166 A167 | L159-I163 HydrophobicContact CD1-CD1 4.49Å; L159-I163 HydrophobicContact CG-CD1 4.1Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.11Å; I160-I163 PolarHBondContact O-N 3.38Å; I163-W165 VanDerWaalsContact C-N 3.34Å; I163-V166 PolarHBondContact O-N 3.15Å; I163-A167 WeakPolarHBondContact O-CB 3.23Å; I163-A167 PolarHBondContact O-N 2.92Å |
| 164 | V | 74.1 | Confident | 76.4 | Confident | 28 Ų | 28 | 88.2 Ų | 88.2 | 17% | 0.17 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I160 L161 A167 S168 Y188 L192 | I160-V164 HydrophobicContact CG2-CG2 4.3Å; I160-V164 WeakPolarHBondContact O-CB 3.32Å; I160-V164 VanDerWaalsContact O-CG2 3.28Å; I160-V164 WeakPolarHBondContact O-CG2 3.25Å; I160-V164 PolarHBondContact O-N 2.99Å; L161-V164 PolarHBondContact O-N 3.38Å; V164-A167 PolarHBondContact O-N 3.41Å; V164-S168 WeakPolarHBondContact O-CB 3.25Å; V164-S168 PolarHBondContact O-N 2.93Å; V164-Y188 HydrophobicContact CG1-CD1 3.38Å; V164-Y188 HydrophobicContact CG1-CE1 3.4Å; V164-Y188 VanDerWaalsContact CG1-CE1 3.4Å; V164-L192 HydrophobicContact CG2-CD2 4.24Å |
| 165 | W | 74.9 | Confident | 74.5 | Confident | 152 Ų | 152 | 87.4 Ų | 87.4 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 174.4 | -179.7 | 78.4 | 0 | 0 | 0 | 111.8 | L161 G162 I163 A167 S168 A169 | L161-W165 VanDerWaalsContact O-CB 3.28Å; L161-W165 WeakPolarHBondContact O-CB 3.43Å; L161-W165 PolarHBondContact O-N 3.29Å; G162-W165 PolarHBondContact O-N 2.94Å; I163-W165 VanDerWaalsContact C-N 3.34Å; W165-A167 PolarHBondContact O-N 2.95Å; W165-S168 PolarHBondContact O-N 3.13Å; W165-A169 PolarHBondContact O-N 3.07Å |
| 166 | V | 80.4 | Confident | 72.6 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.436 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | G162 I163 S168 A169 L170 | G162-V166 VanDerWaalsContact O-CG2 3.31Å; G162-V166 WeakPolarHBondContact O-CG2 3.37Å; G162-V166 PolarHBondContact O-N 3.19Å; I163-V166 PolarHBondContact O-N 3.15Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 3.21Å; V166-A169 PolarHBondContact O-N 2.89Å; V166-L170 HydrophobicContact CG1-CD1 4.04Å; V166-L170 WeakPolarHBondContact O-CG 3.37Å; V166-L170 PolarHBondContact O-N 3.32Å; V166-L170 VanDerWaalsContact O-N 3.08Å |
| 167 | A | 72.4 | Confident | 70.8 | Confident | 42 Ų | 42 | 88 Ų | 88 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I163 V164 W165 L170 I171 | I163-A167 WeakPolarHBondContact O-CB 3.23Å; I163-A167 PolarHBondContact O-N 2.92Å; V164-A167 PolarHBondContact O-N 3.41Å; W165-A167 PolarHBondContact O-N 2.95Å; A167-L170 PolarHBondContact O-N 3.39Å; A167-I171 WeakPolarHBondContact O-CD1 3.32Å; A167-I171 WeakPolarHBondContact O-CG1 3.37Å; A167-I171 PolarHBondContact O-N 3.31Å |
| 168 | S | 68.6 | Low | 69.4 | Low | 26 Ų | 26 | 93.9 Ų | 93.9 | 18% | 0.182 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 175.7 | -164.3 | 0 | 0 | 0 | 0 | 111.5 | V164 W165 V166 L170 I171 D172 | V164-S168 WeakPolarHBondContact O-CB 3.25Å; V164-S168 PolarHBondContact O-N 2.93Å; W165-S168 PolarHBondContact O-N 3.13Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 3.21Å; S168-L170 PolarHBondContact O-N 3.08Å; S168-I171 PolarHBondContact O-N 2.96Å; S168-I171 VanDerWaalsContact O-N 3.15Å; S168-D172 PolarHBondContact O-N 3.22Å |
| 169 | A | 72.3 | Confident | 67.7 | Low | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -23.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W165 V166 | W165-A169 PolarHBondContact O-N 3.07Å; V166-A169 PolarHBondContact O-N 2.89Å |
| 170 | L | 73.2 | Confident | 66.2 | Low | 143 Ų | 143 | 96 Ų | 96 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80 | -24.8 | 174.4 | -75 | 167.8 | 0 | 0 | 0 | 113.2 | V166 A167 S168 | V166-L170 HydrophobicContact CG1-CD1 4.04Å; V166-L170 WeakPolarHBondContact O-CG 3.37Å; V166-L170 PolarHBondContact O-N 3.32Å; V166-L170 VanDerWaalsContact O-N 3.08Å; A167-L170 PolarHBondContact O-N 3.39Å; S168-L170 PolarHBondContact O-N 3.08Å |
| 171 | I | 69.3 | Low | 64.8 | Low | 122 Ų | 122 | 99.4 Ų | 99.4 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -95.9 | -42.8 | -174.6 | -67.4 | 167.6 | 0 | 0 | 0 | 111 | A167 S168 | A167-I171 WeakPolarHBondContact O-CD1 3.32Å; A167-I171 WeakPolarHBondContact O-CG1 3.37Å; A167-I171 PolarHBondContact O-N 3.31Å; S168-I171 PolarHBondContact O-N 2.96Å; S168-I171 VanDerWaalsContact O-N 3.15Å |
| 172 | D | 63.3 | Low | 63.4 | Low | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 59% | 0.593 | S | S | . | * | trans | -101.5 | 117.6 | 178.8 | -76.1 | -32.4 | 0 | 0 | 0 | 110.8 | S168 D174 | S168-D172 PolarHBondContact O-N 3.22Å; D172-D174 VanDerWaalsContact C-N 3.3Å | ||
| 173 | N | 58.5 | Low | 62.2 | Low | 171 Ų | 171 | 107.2 Ų | 107.2 | 91% | 0.914 | 60% | 0.597 | S | S | * | * | trans | -90.2 | 6.8 | 177.5 | -141.4 | 14.6 | 0 | 0 | 0 | 112.5 | ||||
| 174 | D | 52 | Low | 61 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -103.8 | 129.1 | 179 | -92.5 | -23.2 | 0 | 0 | 0 | 111.6 | D172 A176 | D172-D174 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.26Å |
| 175 | A | 49.1 | Very low | 60.1 | Low | 114 Ų | 114 | 113.3 Ų | 113.3 | 94% | 0.942 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -76.2 | 51.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 176 | A | 51 | Low | 59.2 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -138.9 | 41.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D174 | D174-A176 PolarHBondContact O-N 3.26Š| ||
| 177 | S | 50.3 | Low | 58.1 | Low | 70 Ų | 70 | 115.5 Ų | 115.5 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | trans | -129.9 | 47.1 | 166.9 | 62 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 178 | M | 54.3 | Low | 57.6 | Low | 179 Ų | 179 | 115.5 Ų | 115.5 | 88% | 0.882 | 62% | 0.616 | S | S | * | * | trans | -103.1 | 108.7 | 158.5 | -82.8 | 165.4 | 76.1 | 0 | 0 | 106.5 | ||||
| 179 | E | 49.6 | Very low | 57.3 | Low | 159 Ų | 159 | 116.5 Ų | 116.5 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | trans | 178.8 | 126.1 | 134.6 | -80.2 | -119.8 | 154.2 | 0 | 0 | 113.3 | ||||
| 180 | S | 56.8 | Low | 57 | Low | 77 Ų | 77 | 117.1 Ų | 117.1 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | trans | 69 | 145.8 | 155.2 | 95.4 | 0 | 0 | 0 | 0 | 121.9 | Y182 D183 | S180-Y182 PolarHBondContact O-N 3.37Å; S180-Y182 VanDerWaalsContact O-N 3.14Å; S180-Y182 WeakPolarHBondContact OG-CB 3.29Å; S180-Y182 PolarHBondContact OG-N 3.02Å; S180-D183 PolarHBondContact O-N 2.82Å | ||
| 181 | L | 51 | Low | 56.5 | Low | 140 Ų | 140 | 117 Ų | 117 | 73% | 0.733 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.3 | -12.8 | 169.2 | -74.4 | 165.2 | 0 | 0 | 0 | 113.7 | L184 | L181-L184 WeakPolarHBondContact O-CB 3.5Å; L181-L184 PolarHBondContact O-N 3.29Å |
| 182 | Y | 48.3 | Very low | 56.3 | Low | 178 Ų | 178 | 113.4 Ų | 113.4 | 70% | 0.698 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.7 | -36.4 | -179.8 | -147.6 | -94.6 | 0 | 0 | 0 | 111.1 | S180 L184 W185 E186 | S180-Y182 PolarHBondContact O-N 3.37Å; S180-Y182 VanDerWaalsContact O-N 3.14Å; S180-Y182 WeakPolarHBondContact OG-CB 3.29Å; S180-Y182 PolarHBondContact OG-N 3.02Å; Y182-L184 PolarHBondContact O-N 3.37Å; Y182-W185 PolarHBondContact O-N 3.27Å; Y182-W185 VanDerWaalsContact O-N 3.17Å; Y182-E186 PolarHBondContact O-N 3.3Å |
| 183 | D | 55.8 | Low | 56.7 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -23.4 | 168.7 | -85.8 | -1.5 | 0 | 0 | 0 | 111.9 | S180 W185 F187 Y188 | S180-D183 PolarHBondContact O-N 2.82Å; D183-W185 VanDerWaalsContact C-N 3.28Å; D183-W185 PolarHBondContact O-N 3.2Å; D183-F187 WeakPolarHBondContact O-CA 3.44Å; D183-F187 WeakPolarHBondContact O-CB 3.45Å; D183-F187 PolarHBondContact O-N 3.26Å; D183-Y188 WeakPolarHBondContact O-CD2 3.36Å; D183-Y188 PolarHBondContact O-N 3.33Å |
| 184 | L | 56.4 | Low | 57.2 | Low | 64 Ų | 64 | 103.9 Ų | 103.9 | 34% | 0.335 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -61 | -36.8 | 174.4 | -138.5 | 98.6 | 0 | 0 | 0 | 113.2 | L161 L181 Y182 Y188 L189 | L161-L184 HydrophobicContact CD1-CD1 3.44Å; L161-L184 VanDerWaalsContact CD1-CD1 3.44Å; L161-L184 HydrophobicContact CD1-CD2 3.76Å; L161-L184 HydrophobicContact CD1-CG 4.24Å; L161-L184 HydrophobicContact CG-CD1 3.83Å; L181-L184 WeakPolarHBondContact O-CB 3.5Å; L181-L184 PolarHBondContact O-N 3.29Å; Y182-L184 PolarHBondContact O-N 3.37Å; L184-Y188 HydrophobicContact CD1-CD2 4.19Å; L184-Y188 HydrophobicContact CG-CD2 4.34Å; L184-Y188 WeakPolarHBondContact O-CB 3.1Å; L184-L189 PolarHBondContact O-N 3.49Å |
| 185 | W | 54.2 | Low | 58.2 | Low | 195 Ų | 195 | 100.1 Ų | 100.1 | 74% | 0.739 | 52% | 0.524 | S | S | * | . | I | π-helix | trans | -82.8 | -41.2 | -178.1 | -176.5 | -98.1 | 0 | 0 | 0 | 112.1 | Y182 D183 L189 | Y182-W185 PolarHBondContact O-N 3.27Å; Y182-W185 VanDerWaalsContact O-N 3.17Å; D183-W185 VanDerWaalsContact C-N 3.28Å; D183-W185 PolarHBondContact O-N 3.2Å; W185-L189 HydrophobicContact CD2-CD1 3.91Å; W185-L189 HydrophobicContact CE3-CD1 3.35Å; W185-L189 HydrophobicContact CH2-CD1 4Å; W185-L189 HydrophobicContact CZ2-CD1 4.48Å; W185-L189 HydrophobicContact CZ3-CD1 3.4Å; W185-L189 VanDerWaalsContact O-CB 3.32Å; W185-L189 WeakPolarHBondContact O-CB 3.45Å |
| 186 | E | 56.6 | Low | 59.5 | Low | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | I | π-helix | trans | -85.7 | -36.7 | -177.5 | -99.7 | -177.7 | 159.2 | 0 | 0 | 114.1 | Y182 P190 | Y182-E186 PolarHBondContact O-N 3.3Å; E186-P190 WeakPolarHBondContact O-CD 3.45Å; E186-P190 VanDerWaalsContact O-CG 3.26Å; E186-P190 WeakPolarHBondContact O-CG 3.1Å |
| 187 | F | 57.4 | Low | 60.7 | Low | 134 Ų | 134 | 92 Ų | 92 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | I | π-helix | trans | -99.9 | -45.6 | -174 | -168 | -100.7 | 0 | 0 | 0 | 112.6 | D183 | D183-F187 WeakPolarHBondContact O-CA 3.44Å; D183-F187 WeakPolarHBondContact O-CB 3.45Å; D183-F187 PolarHBondContact O-N 3.26Å |
| 188 | Y | 62.3 | Low | 62 | Low | 42 Ų | 42 | 91.8 Ų | 91.8 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | I | π-helix | trans | -82.8 | -32.9 | -172.9 | -70.6 | -84.1 | 0 | 0 | 0 | 114 | V164 D183 L184 Y191 L192 | V164-Y188 HydrophobicContact CG1-CD1 3.38Å; V164-Y188 HydrophobicContact CG1-CE1 3.4Å; V164-Y188 VanDerWaalsContact CG1-CE1 3.4Å; D183-Y188 WeakPolarHBondContact O-CD2 3.36Å; D183-Y188 PolarHBondContact O-N 3.33Å; L184-Y188 HydrophobicContact CD1-CD2 4.19Å; L184-Y188 HydrophobicContact CG-CD2 4.34Å; L184-Y188 WeakPolarHBondContact O-CB 3.1Å; Y188-Y191 PolarHBondContact O-N 2.65Å; Y188-L192 WeakPolarHBondContact O-CB 3.46Å; Y188-L192 WeakPolarHBondContact O-CG 3.32Å; Y188-L192 PolarHBondContact O-N 3.19Å |
| 189 | L | 62.2 | Low | 63.3 | Low | 47 Ų | 47 | 89 Ų | 89 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179.6 | -141.2 | 162.4 | 0 | 0 | 0 | 112.2 | F120 L184 W185 Y191 L192 Y193 | F120-L189 HydrophobicContact CE2-CD2 4.48Å; L184-L189 PolarHBondContact O-N 3.49Å; W185-L189 HydrophobicContact CD2-CD1 3.91Å; W185-L189 HydrophobicContact CE3-CD1 3.35Å; W185-L189 HydrophobicContact CH2-CD1 4Å; W185-L189 HydrophobicContact CZ2-CD1 4.48Å; W185-L189 HydrophobicContact CZ3-CD1 3.4Å; W185-L189 VanDerWaalsContact O-CB 3.32Å; W185-L189 WeakPolarHBondContact O-CB 3.45Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 3Å; L189-L192 PolarHBondContact O-N 3.35Å; L189-Y193 WeakPolarHBondContact O-CB 3.36Å; L189-Y193 PolarHBondContact O-N 2.91Å |
| 190 | P | 64.2 | Low | 65.1 | Low | 73 Ų | 73 | 81.4 Ų | 81.4 | 47% | 0.474 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 172 | -24.2 | 36.9 | 0 | 0 | 0 | 113.5 | E186 Y193 S194 | E186-P190 WeakPolarHBondContact O-CD 3.45Å; E186-P190 VanDerWaalsContact O-CG 3.26Å; E186-P190 WeakPolarHBondContact O-CG 3.1Å; P190-Y193 PolarHBondContact O-N 3.47Å; P190-S194 WeakPolarHBondContact O-CB 3.33Å; P190-S194 PolarHBondContact O-N 2.84Å |
| 191 | Y | 63.6 | Low | 66.4 | Low | 140 Ų | 140 | 77.9 Ų | 77.9 | 55% | 0.549 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 177 | -171 | -93.2 | 0 | 0 | 0 | 112.2 | Y188 L189 Y193 S194 C195 | Y188-Y191 PolarHBondContact O-N 2.65Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 3Å; Y191-Y193 VanDerWaalsContact C-N 3.35Å; Y191-S194 WeakPolarHBondContact O-CB 3.47Å; Y191-S194 PolarHBondContact O-N 3.21Å; Y191-C195 WeakPolarHBondContact O-CB 3.21Å; Y191-C195 PolarHBondContact O-N 3.29Å |
| 192 | L | 65.9 | Low | 68.2 | Low | 48 Ų | 48 | 75.2 Ų | 75.2 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.6 | -76.8 | 171.7 | 0 | 0 | 0 | 111.3 | F120 V164 Y188 L189 S194 C195 I196 | F120-L192 HydrophobicContact CE1-CB 4.36Å; F120-L192 HydrophobicContact CZ-CB 3.96Å; V164-L192 HydrophobicContact CG2-CD2 4.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.46Å; Y188-L192 WeakPolarHBondContact O-CG 3.32Å; Y188-L192 PolarHBondContact O-N 3.19Å; L189-L192 PolarHBondContact O-N 3.35Å; L192-S194 VanDerWaalsContact C-N 3.35Å; L192-S194 PolarHBondContact O-N 2.98Å; L192-C195 PolarHBondContact O-N 3.31Å; L192-I196 WeakPolarHBondContact O-CD1 3.35Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 3.04Å |
| 193 | Y | 70.8 | Confident | 70.1 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.4 | -178.2 | -108.5 | 0 | 0 | 0 | 112.1 | N116 L189 P190 Y191 I196 S197 F424 | N116-Y193 WeakPolarHBondContact OD1-CD2 3.49Å; N116-Y193 WeakPolarHBondContact OD1-CE2 3.44Å; L189-Y193 WeakPolarHBondContact O-CB 3.36Å; L189-Y193 PolarHBondContact O-N 2.91Å; P190-Y193 PolarHBondContact O-N 3.47Å; Y191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-I196 PolarHBondContact O-N 3.42Å; Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.11Å; Y193-S197 PolarHBondContact O-N 3.45Å; Y193-F424 HydrophobicContact CD1-CE1 4.01Å; Y193-F424 HydrophobicContact CD1-CZ 4.23Å; Y193-F424 AromaticContact CE1-CE1 3.99Å; Y193-F424 HydrophobicContact CE1-CE1 3.99Å; Y193-F424 AromaticContact CE1-CZ 3.72Å; Y193-F424 HydrophobicContact CE1-CZ 3.72Å |
| 194 | S | 70.4 | Confident | 71.8 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 173.7 | -178 | 0 | 0 | 0 | 0 | 112.2 | P190 Y191 L192 S197 L198 | P190-S194 WeakPolarHBondContact O-CB 3.33Å; P190-S194 PolarHBondContact O-N 2.84Å; Y191-S194 WeakPolarHBondContact O-CB 3.47Å; Y191-S194 PolarHBondContact O-N 3.21Å; L192-S194 VanDerWaalsContact C-N 3.35Å; L192-S194 PolarHBondContact O-N 2.98Å; S194-S197 PolarHBondContact O-N 3.12Å; S194-L198 VanDerWaalsContact O-CB 3.3Å; S194-L198 WeakPolarHBondContact O-CB 3.12Å; S194-L198 PolarHBondContact O-N 2.96Å |
| 195 | C | 71.1 | Confident | 73.3 | Confident | 66 Ų | 66 | 62 Ų | 62 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | Y191 L192 L198 M199 | Y191-C195 WeakPolarHBondContact O-CB 3.21Å; Y191-C195 PolarHBondContact O-N 3.29Å; L192-C195 PolarHBondContact O-N 3.31Å; C195-L198 PolarHBondContact O-N 3.47Å; C195-M199 WeakPolarHBondContact O-CB 3.24Å; C195-M199 PolarHBondContact O-N 3.34Å |
| 196 | I | 77.5 | Confident | 74.9 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175.9 | -69.9 | 162.6 | 0 | 0 | 0 | 111 | L119 F120 L192 Y193 L198 M199 G200 V398 | L119-I196 HydrophobicContact CD1-CD1 4.08Å; L119-I196 HydrophobicContact CD1-CG2 3.64Å; L119-I196 HydrophobicContact CD2-CD1 3.59Å; F120-I196 HydrophobicContact CE1-CD1 3.49Å; F120-I196 VanDerWaalsContact CE1-CD1 3.49Å; F120-I196 HydrophobicContact CE2-CD1 4.14Å; F120-I196 HydrophobicContact CZ-CD1 3.21Å; L192-I196 WeakPolarHBondContact O-CD1 3.35Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 3.04Å; Y193-I196 PolarHBondContact O-N 3.42Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 2.72Å; I196-M199 PolarHBondContact O-N 3.38Å; I196-G200 PolarHBondContact O-N 3.47Å; I196-V398 HydrophobicContact CG2-CG2 4.47Å |
| 197 | S | 75.9 | Confident | 76.6 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | Y193 S194 G201 | Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.11Å; Y193-S197 PolarHBondContact O-N 3.45Å; S194-S197 PolarHBondContact O-N 3.12Å; S197-G201 PolarHBondContact O-N 3.17Å |
| 198 | L | 77.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 35% | 0.346 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 174.4 | -178.5 | 148.8 | 0 | 0 | 0 | 110.8 | S194 C195 I196 G200 G201 L202 W426 | S194-L198 VanDerWaalsContact O-CB 3.3Å; S194-L198 WeakPolarHBondContact O-CB 3.12Å; S194-L198 PolarHBondContact O-N 2.96Å; C195-L198 PolarHBondContact O-N 3.47Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 2.72Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 2.99Å; L198-G201 PolarHBondContact O-N 3.37Å; L198-L202 HydrophobicContact CD2-CD1 3.65Å; L198-L202 HydrophobicContact CD2-CG 4.24Å; L198-L202 WeakPolarHBondContact O-CG 3.25Å; L198-L202 PolarHBondContact O-N 2.94Å; L198-W426 HydrophobicContact CD1-CG 4.39Å |
| 199 | M | 82.7 | Confident | 79.6 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 59% | 0.591 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.8 | -45.3 | 175.2 | -171.8 | 67.2 | 69.2 | 0 | 0 | 111 | C195 I196 L202 L203 | C195-M199 WeakPolarHBondContact O-CB 3.24Å; C195-M199 PolarHBondContact O-N 3.34Å; I196-M199 PolarHBondContact O-N 3.38Å; M199-L202 PolarHBondContact O-N 3.04Å; M199-L203 VanDerWaalsContact O-CB 3.28Å; M199-L203 WeakPolarHBondContact O-CB 3.44Å; M199-L203 PolarHBondContact O-N 3.11Å |
| 200 | G | 86.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I196 L198 L203 L204 A402 | I196-G200 PolarHBondContact O-N 3.47Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 2.99Å; G200-L203 PolarHBondContact O-N 2.84Å; G200-L204 WeakPolarHBondContact O-CB 3.28Å; G200-L204 VanDerWaalsContact O-CG 3.29Å; G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 3.39Å; G200-A402 VanDerWaalsContact C-CB 3.49Å |
| 201 | G | 85.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S197 L198 L205 Y436 | S197-G201 PolarHBondContact O-N 3.17Å; L198-G201 PolarHBondContact O-N 3.37Å; G201-L205 WeakPolarHBondContact O-CB 3.45Å; G201-L205 PolarHBondContact O-N 3.12Å; G201-Y436 WeakPolarHBondContact O-CE2 3.28Å; G201-Y436 PolarHBondContact O-OH 3.23Å |
| 202 | L | 87.1 | Confident | 83.4 | Confident | 85 Ų | 85 | 32.3 Ų | 32.3 | 45% | 0.445 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 174.2 | -70.7 | 177.6 | 0 | 0 | 0 | 111.9 | L198 M199 L205 M206 | L198-L202 HydrophobicContact CD2-CD1 3.65Å; L198-L202 HydrophobicContact CD2-CG 4.24Å; L198-L202 WeakPolarHBondContact O-CG 3.25Å; L198-L202 PolarHBondContact O-N 2.94Å; M199-L202 PolarHBondContact O-N 3.04Å; L202-L205 HydrophobicContact CD2-CD2 4.33Å; L202-L205 WeakPolarHBondContact O-CB 3.18Å; L202-L205 PolarHBondContact O-N 3.01Å; L202-M206 PolarHBondContact O-N 3.38Å; L202-M206 VanDerWaalsContact O-N 3.14Å |
| 203 | L | 89.4 | Confident | 84.5 | Confident | 35 Ų | 35 | 30.9 Ų | 30.9 | 18% | 0.183 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 174.9 | -176.4 | 67.6 | 0 | 0 | 0 | 110.2 | M199 G200 L205 M206 C207 F368 F374 L399 | M199-L203 VanDerWaalsContact O-CB 3.28Å; M199-L203 WeakPolarHBondContact O-CB 3.44Å; M199-L203 PolarHBondContact O-N 3.11Å; G200-L203 PolarHBondContact O-N 2.84Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.04Å; L203-M206 PolarHBondContact O-N 3.49Å; L203-C207 VanDerWaalsContact O-CB 3.27Å; L203-C207 WeakPolarHBondContact O-CB 3.46Å; L203-C207 PolarHBondContact O-N 2.94Å; L203-C207 PolarHBondContact O-SG 3.37Å; L203-F368 HydrophobicContact CD1-CD2 4.07Å; L203-F368 HydrophobicContact CD1-CE2 4.18Å; L203-F368 HydrophobicContact CD2-CD2 3.87Å; L203-F368 HydrophobicContact CD2-CE2 3.8Å; L203-F368 HydrophobicContact CG-CD2 4.21Å; L203-F368 HydrophobicContact CG-CE2 4.46Å; L203-F374 HydrophobicContact CD1-CE2 3.82Å; L203-F374 HydrophobicContact CD1-CZ 4.35Å; L203-L399 HydrophobicContact CD2-CD2 3.96Å; L203-L399 HydrophobicContact CD2-CG 4.35Å; L203-L399 HydrophobicContact CG-CD2 4.21Å |
| 204 | L | 90.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.7 | -77.3 | 175.7 | 0 | 0 | 0 | 112.4 | G200 M206 C207 T208 S364 L399 A402 M406 | G200-L204 WeakPolarHBondContact O-CB 3.28Å; G200-L204 VanDerWaalsContact O-CG 3.29Å; G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 3.39Å; L204-M206 VanDerWaalsContact C-N 3.27Å; L204-M206 PolarHBondContact O-N 3.29Å; L204-C207 PolarHBondContact O-N 3.49Å; L204-T208 VanDerWaalsContact O-CB 3.22Å; L204-T208 WeakPolarHBondContact O-CB 3.25Å; L204-T208 PolarHBondContact O-N 2.97Å; L204-T208 PolarHBondContact O-OG1 3.36Å; L204-S364 VanDerWaalsContact CD2-CB 3.45Å; L204-S364 VanDerWaalsContact CD2-OG 3.32Å; L204-S364 WeakPolarHBondContact CD2-OG 3.45Å; L204-L399 HydrophobicContact CD2-CB 4.31Å; L204-L399 HydrophobicContact CD2-CD2 3.45Å; L204-L399 VanDerWaalsContact CD2-CD2 3.45Å; L204-L399 HydrophobicContact CD2-CG 4.5Å; L204-L399 HydrophobicContact CG-CD2 3.99Å; L204-A402 VanDerWaalsContact CD1-C 3.42Å; L204-A402 HydrophobicContact CD1-CB 3.53Å; L204-A402 HydrophobicContact CG-CB 4.42Å; L204-M406 HydrophobicContact CB-SD 3.58Å; L204-M406 VanDerWaalsContact CB-SD 3.58Å; L204-M406 HydrophobicContact CD1-CB 3.91Å; L204-M406 HydrophobicContact CD1-CG 4.46Å; L204-M406 HydrophobicContact CD1-SD 3.83Å; L204-M406 HydrophobicContact CD2-SD 4.29Å; L204-M406 HydrophobicContact CG-SD 4.12Å |
| 205 | L | 89.3 | Confident | 86 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 177.1 | -176.6 | 61.5 | 0 | 0 | 0 | 112.3 | G201 L202 L203 P209 Y436 L439 F440 | G201-L205 WeakPolarHBondContact O-CB 3.45Å; G201-L205 PolarHBondContact O-N 3.12Å; L202-L205 HydrophobicContact CD2-CD2 4.33Å; L202-L205 WeakPolarHBondContact O-CB 3.18Å; L202-L205 PolarHBondContact O-N 3.01Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.04Å; L205-P209 WeakPolarHBondContact O-CD 3.31Å; L205-P209 WeakPolarHBondContact O-CG 3.23Å; L205-Y436 HydrophobicContact CB-CE2 3.75Å; L205-Y436 HydrophobicContact CD1-CD1 4.23Å; L205-Y436 HydrophobicContact CD1-CD2 4.32Å; L205-Y436 HydrophobicContact CD1-CE1 3.98Å; L205-Y436 HydrophobicContact CD1-CE2 4.08Å; L205-Y436 HydrophobicContact CD1-CG 4.37Å; L205-Y436 WeakPolarHBondContact CD1-O 3.37Å; L205-Y436 HydrophobicContact CD2-CD2 3.68Å; L205-Y436 HydrophobicContact CD2-CE2 3.72Å; L205-Y436 HydrophobicContact CD2-CG 4.31Å; L205-Y436 HydrophobicContact CG-CD2 4.42Å; L205-Y436 HydrophobicContact CG-CE2 4.08Å; L205-L439 HydrophobicContact CD2-CB 4.4Å; L205-L439 HydrophobicContact CD2-CD2 3.63Å; L205-L439 HydrophobicContact CD2-CG 4.22Å; L205-L439 HydrophobicContact CG-CD2 4.33Å; L205-F440 HydrophobicContact CD1-CB 3.52Å; L205-F440 HydrophobicContact CD1-CD2 4.01Å; L205-F440 HydrophobicContact CD1-CG 4.27Å |
| 206 | M | 88.1 | Confident | 86.6 | Confident | 102 Ų | 102 | 31.5 Ų | 31.5 | 50% | 0.502 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -83.7 | -42.1 | 178.2 | -67.2 | -63.1 | -163 | 0 | 0 | 112.5 | L202 L203 L204 V210 | L202-M206 PolarHBondContact O-N 3.38Å; L202-M206 VanDerWaalsContact O-N 3.14Å; L203-M206 PolarHBondContact O-N 3.49Å; L204-M206 VanDerWaalsContact C-N 3.27Å; L204-M206 PolarHBondContact O-N 3.29Å; M206-V210 WeakPolarHBondContact O-CG2 3.38Å |
| 207 | C | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.3 | -43.3 | -174.9 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | L203 L204 V210 G211 G367 F368 L371 | L203-C207 VanDerWaalsContact O-CB 3.27Å; L203-C207 WeakPolarHBondContact O-CB 3.46Å; L203-C207 PolarHBondContact O-N 2.94Å; L203-C207 PolarHBondContact O-SG 3.37Å; L204-C207 PolarHBondContact O-N 3.49Å; C207-V210 PolarHBondContact O-N 3.36Å; C207-G211 PolarHBondContact O-N 3.12Å; C207-G367 WeakPolarHBondContact O-CA 3.44Å; C207-F368 HydrophobicContact CB-CB 4.47Å; C207-L371 WeakPolarHBondContact SG-CD1 3.18Å |
| 208 | T | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | -170.1 | -47 | 0 | 0 | 0 | 0 | 112.9 | L204 V210 G211 M212 L360 S364 M406 F440 | L204-T208 VanDerWaalsContact O-CB 3.22Å; L204-T208 WeakPolarHBondContact O-CB 3.25Å; L204-T208 PolarHBondContact O-N 2.97Å; L204-T208 PolarHBondContact O-OG1 3.36Å; T208-V210 PolarHBondContact O-N 2.76Å; T208-G211 PolarHBondContact O-N 2.99Å; T208-M212 HydrophobicContact CG2-CE 4.25Å; T208-M212 HydrophobicContact CG2-CG 4.48Å; T208-M212 VanDerWaalsContact O-CG 3.3Å; T208-M212 WeakPolarHBondContact O-CG 3.25Å; T208-M212 PolarHBondContact O-N 2.85Å; T208-L360 HydrophobicContact CG2-CB 4.46Å; T208-L360 HydrophobicContact CG2-CD2 3.65Å; T208-S364 PolarHBondContact OG1-OG 2.99Å; T208-M406 HydrophobicContact CG2-CE 4.01Å; T208-F440 HydrophobicContact CG2-CE2 4.2Å |
| 209 | P | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 174 | -26.8 | 37.7 | 0 | 0 | 0 | 114 | L205 G211 M212 S213 F440 V443 T444 | L205-P209 WeakPolarHBondContact O-CD 3.31Å; L205-P209 WeakPolarHBondContact O-CG 3.23Å; P209-G211 VanDerWaalsContact C-N 3.32Å; P209-M212 PolarHBondContact O-N 3.36Å; P209-S213 PolarHBondContact O-N 3.43Å; P209-F440 HydrophobicContact CG-CD2 4.08Å; P209-F440 HydrophobicContact CG-CE2 4.12Å; P209-V443 HydrophobicContact CB-CB 4.25Å; P209-V443 HydrophobicContact CB-CG1 3.6Å; P209-V443 HydrophobicContact CG-CB 4.29Å; P209-V443 HydrophobicContact CG-CG1 3.98Å; P209-T444 WeakPolarHBondContact CG-OG1 3.34Å |
| 210 | V | 89.9 | Confident | 86.6 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 110 | M206 C207 T208 S213 R214 | M206-V210 WeakPolarHBondContact O-CG2 3.38Å; C207-V210 PolarHBondContact O-N 3.36Å; T208-V210 PolarHBondContact O-N 2.76Å; V210-S213 PolarHBondContact O-N 3.41Å; V210-R214 HydrophobicContact CG1-CG 4.26Å; V210-R214 WeakPolarHBondContact O-CB 3.49Å; V210-R214 VanDerWaalsContact O-CG 3.29Å; V210-R214 WeakPolarHBondContact O-CG 3.42Å; V210-R214 PolarHBondContact O-N 3.27Å |
| 211 | G | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C207 T208 P209 S213 R214 M215 S363 | C207-G211 PolarHBondContact O-N 3.12Å; T208-G211 PolarHBondContact O-N 2.99Å; P209-G211 VanDerWaalsContact C-N 3.32Å; G211-S213 PolarHBondContact O-N 2.79Å; G211-R214 CarbonylContact O-C 3.56Å; G211-R214 PolarHBondContact O-N 2.63Å; G211-M215 VanDerWaalsContact O-CG 3.24Å; G211-M215 WeakPolarHBondContact O-CG 3.16Å; G211-M215 PolarHBondContact O-N 3.39Å; G211-S363 WeakPolarHBondContact CA-O 3.31Å |
| 212 | M | 90.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -40.1 | 177.3 | -73.5 | -170.1 | -75.5 | 0 | 0 | 111.8 | T208 P209 F216 T307 Y359 F440 T444 | T208-M212 HydrophobicContact CG2-CE 4.25Å; T208-M212 HydrophobicContact CG2-CG 4.48Å; T208-M212 VanDerWaalsContact O-CG 3.3Å; T208-M212 WeakPolarHBondContact O-CG 3.25Å; T208-M212 PolarHBondContact O-N 2.85Å; P209-M212 PolarHBondContact O-N 3.36Å; M212-F216 WeakPolarHBondContact O-CD2 3.25Å; M212-F216 WeakPolarHBondContact O-CE2 3.31Å; M212-T307 HydrophobicContact CB-CG2 3.94Å; M212-T307 HydrophobicContact CG-CG2 4.24Å; M212-T307 HydrophobicContact SD-CG2 4.11Å; M212-Y359 HydrophobicContact CG-CE1 3.91Å; M212-Y359 WeakPolarHBondContact CG-OH 2.95Å; M212-Y359 HydrophobicContact SD-CE1 3.85Å; M212-F440 HydrophobicContact CE-CE1 4.24Å; M212-F440 HydrophobicContact CE-CE2 4.12Å; M212-F440 HydrophobicContact CE-CZ 3.54Å; M212-T444 HydrophobicContact CE-CG2 3.37Å; M212-T444 VanDerWaalsContact CE-OG1 3.31Å; M212-T444 WeakPolarHBondContact CE-OG1 3.28Å; M212-T444 HydrophobicContact SD-CG2 4.27Å |
| 213 | S | 88.6 | Confident | 83.6 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72 | -40.3 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | P209 V210 G211 M215 C447 | P209-S213 PolarHBondContact O-N 3.43Å; V210-S213 PolarHBondContact O-N 3.41Å; G211-S213 PolarHBondContact O-N 2.79Å; S213-M215 VanDerWaalsContact C-N 3.34Å; S213-M215 PolarHBondContact O-N 3.47Å; S213-C447 PolarHBondContact OG-O 3.5Å |
| 214 | R | 87.4 | Confident | 82.1 | Confident | 121 Ų | 121 | 40.1 Ų | 40.1 | 46% | 0.457 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.9 | -30.4 | 178.6 | -74.4 | -68.6 | -115.4 | -173 | -4.4 | 112.8 | V210 G211 F216 T217 V218 V366 S370 | V210-R214 HydrophobicContact CG1-CG 4.26Å; V210-R214 WeakPolarHBondContact O-CB 3.49Å; V210-R214 VanDerWaalsContact O-CG 3.29Å; V210-R214 WeakPolarHBondContact O-CG 3.42Å; V210-R214 PolarHBondContact O-N 3.27Å; G211-R214 CarbonylContact O-C 3.56Å; G211-R214 PolarHBondContact O-N 2.63Å; R214-F216 VanDerWaalsContact C-N 3.29Å; R214-F216 PolarHBondContact O-N 3.15Å; R214-T217 WeakPolarHBondContact O-CA 3.16Å; R214-T217 VanDerWaalsContact O-CB 3.32Å; R214-T217 WeakPolarHBondContact O-CB 3.31Å; R214-T217 PolarHBondContact O-N 3.46Å; R214-V218 PolarHBondContact O-N 3.29Å; R214-V366 HydrophobicContact CB-CG1 4.03Å; R214-S370 PolarHBondContact NE-OG 2.93Å |
| 215 | M | 86.4 | Confident | 80.6 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.4 | -43.4 | 175.5 | -79.8 | -68 | -162.9 | 0 | 0 | 112.7 | G211 S213 T217 V218 V219 L303 V362 V366 | G211-M215 VanDerWaalsContact O-CG 3.24Å; G211-M215 WeakPolarHBondContact O-CG 3.16Å; G211-M215 PolarHBondContact O-N 3.39Å; S213-M215 VanDerWaalsContact C-N 3.34Å; S213-M215 PolarHBondContact O-N 3.47Å; M215-T217 PolarHBondContact O-N 3.5Å; M215-V218 PolarHBondContact O-N 3.32Å; M215-V219 VanDerWaalsContact O-CB 3.25Å; M215-V219 WeakPolarHBondContact O-CB 3.21Å; M215-V219 WeakPolarHBondContact O-CG2 2.9Å; M215-V219 PolarHBondContact O-N 3.25Å; M215-L303 HydrophobicContact CB-CD2 4.14Å; M215-V362 HydrophobicContact CE-CB 3.72Å; M215-V362 HydrophobicContact CE-CG1 3.34Å; M215-V362 WeakPolarHBondContact CE-O 3.39Å; M215-V366 HydrophobicContact CE-CB 4.18Å; M215-V366 HydrophobicContact CE-CG2 3.73Å; M215-V366 HydrophobicContact SD-CB 4.47Å; M215-V366 HydrophobicContact SD-CG2 4.05Å |
| 216 | F | 84.4 | Confident | 78.9 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -29.9 | 175.1 | -66.1 | -76.7 | 0 | 0 | 0 | 112.8 | M212 R214 G220 M300 L303 L304 T307 L448 | M212-F216 WeakPolarHBondContact O-CD2 3.25Å; M212-F216 WeakPolarHBondContact O-CE2 3.31Å; R214-F216 VanDerWaalsContact C-N 3.29Å; R214-F216 PolarHBondContact O-N 3.15Å; F216-G220 PolarHBondContact O-N 3.35Å; F216-M300 HydrophobicContact CB-CE 4.21Å; F216-M300 HydrophobicContact CD1-CE 3.58Å; F216-M300 HydrophobicContact CD1-SD 3.89Å; F216-M300 HydrophobicContact CE1-CE 4.47Å; F216-M300 HydrophobicContact CG-CE 4.36Å; F216-L303 HydrophobicContact CD1-CB 4.16Å; F216-L303 HydrophobicContact CD1-CD1 4.21Å; F216-L303 HydrophobicContact CE1-CB 3.63Å; F216-L303 HydrophobicContact CZ-CB 4.07Å; F216-L304 HydrophobicContact CE1-CB 4.3Å; F216-L304 HydrophobicContact CZ-CB 4.44Å; F216-L304 HydrophobicContact CZ-CD1 4.48Å; F216-T307 HydrophobicContact CE2-CG2 4.05Å; F216-T307 HydrophobicContact CZ-CG2 4.15Å; F216-L448 HydrophobicContact CE2-CD2 3.77Å; F216-L448 HydrophobicContact CZ-CD2 4.42Å |
| 217 | T | 82.8 | Confident | 77.1 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82 | -46.2 | 177.6 | -45.2 | 0 | 0 | 0 | 0 | 111.5 | R214 M215 G220 Q221 K451 | R214-T217 WeakPolarHBondContact O-CA 3.16Å; R214-T217 VanDerWaalsContact O-CB 3.32Å; R214-T217 WeakPolarHBondContact O-CB 3.31Å; R214-T217 PolarHBondContact O-N 3.46Å; M215-T217 PolarHBondContact O-N 3.5Å; T217-G220 CarbonylContact O-C 3.56Å; T217-G220 PolarHBondContact O-N 2.82Å; T217-Q221 WeakPolarHBondContact O-CG 3.34Å; T217-Q221 PolarHBondContact O-N 2.82Å; T217-K451 VanDerWaalsContact OG1-CE 3.23Å; T217-K451 WeakPolarHBondContact OG1-CE 3.44Å; T217-K451 PolarHBondContact OG1-NZ 2.87Å |
| 218 | V | 82.2 | Confident | 75.1 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | R214 M215 G220 Q221 L222 V366 | R214-V218 PolarHBondContact O-N 3.29Å; M215-V218 PolarHBondContact O-N 3.32Å; V218-G220 VanDerWaalsContact C-N 3.29Å; V218-G220 PolarHBondContact O-N 2.9Å; V218-Q221 PolarHBondContact O-N 2.89Å; V218-Q221 VanDerWaalsContact O-N 3.12Å; V218-L222 HydrophobicContact CG1-CD1 3.85Å; V218-L222 HydrophobicContact CG1-CG 4.45Å; V218-L222 WeakPolarHBondContact O-CG 3.34Å; V218-L222 PolarHBondContact O-N 3.38Å; V218-V366 HydrophobicContact CG2-CG1 4.2Å |
| 219 | V | 78.9 | Confident | 73.1 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | M215 Q221 L222 L223 V299 L303 | M215-V219 VanDerWaalsContact O-CB 3.25Å; M215-V219 WeakPolarHBondContact O-CB 3.21Å; M215-V219 WeakPolarHBondContact O-CG2 2.9Å; M215-V219 PolarHBondContact O-N 3.25Å; V219-Q221 PolarHBondContact O-N 3.47Å; V219-L222 PolarHBondContact O-N 3.49Å; V219-L223 HydrophobicContact CG1-CD1 3.35Å; V219-L223 HydrophobicContact CG1-CG 4.02Å; V219-L223 VanDerWaalsContact O-CB 3.32Å; V219-L223 WeakPolarHBondContact O-CB 3.19Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.23Å; V219-V299 HydrophobicContact CG1-CB 4.38Å; V219-V299 HydrophobicContact CG1-CG1 3.56Å; V219-L303 HydrophobicContact CB-CD1 3.9Å; V219-L303 HydrophobicContact CG1-CD1 4.02Å; V219-L303 HydrophobicContact CG2-CD1 3.84Å |
| 220 | G | 69.3 | Low | 71.4 | Confident | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -22.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F216 T217 V218 | F216-G220 PolarHBondContact O-N 3.35Å; T217-G220 CarbonylContact O-C 3.56Å; T217-G220 PolarHBondContact O-N 2.82Å; V218-G220 VanDerWaalsContact C-N 3.29Å; V218-G220 PolarHBondContact O-N 2.9Å |
| 221 | Q | 71.8 | Confident | 70 | Confident | 156 Ų | 156 | 65.1 Ų | 65.1 | 73% | 0.729 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -88.4 | -34.8 | 173.7 | -71.6 | 175.6 | -12.2 | 0 | 0 | 112.4 | T217 V218 V219 | T217-Q221 WeakPolarHBondContact O-CG 3.34Å; T217-Q221 PolarHBondContact O-N 2.82Å; V218-Q221 PolarHBondContact O-N 2.89Å; V218-Q221 VanDerWaalsContact O-N 3.12Å; V219-Q221 PolarHBondContact O-N 3.47Å |
| 222 | L | 61.6 | Low | 68.8 | Low | 138 Ų | 138 | 66.4 Ų | 66.4 | 72% | 0.723 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -76.4 | -35.4 | 179.6 | -71 | 172.4 | 0 | 0 | 0 | 112.4 | V218 V219 | V218-L222 HydrophobicContact CG1-CD1 3.85Å; V218-L222 HydrophobicContact CG1-CG 4.45Å; V218-L222 WeakPolarHBondContact O-CG 3.34Å; V218-L222 PolarHBondContact O-N 3.38Å; V219-L222 PolarHBondContact O-N 3.49Å |
| 223 | L | 62.2 | Low | 67.9 | Low | 35 Ų | 35 | 70.7 Ų | 70.7 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -87 | 133.3 | 175.8 | -64.7 | 174.1 | 0 | 0 | 0 | 109.9 | V219 K225 L295 Y296 V299 | V219-L223 HydrophobicContact CG1-CD1 3.35Å; V219-L223 HydrophobicContact CG1-CG 4.02Å; V219-L223 VanDerWaalsContact O-CB 3.32Å; V219-L223 WeakPolarHBondContact O-CB 3.19Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.23Å; L223-K225 PolarHBondContact O-N 2.95Å; L223-K225 VanDerWaalsContact O-N 3.16Å; L223-L295 HydrophobicContact CD2-CD2 3.81Å; L223-L295 HydrophobicContact CD2-CG 4.09Å; L223-Y296 HydrophobicContact CB-CD2 3.66Å; L223-Y296 HydrophobicContact CB-CE2 4.34Å; L223-Y296 HydrophobicContact CD1-CD2 4.21Å; L223-V299 HydrophobicContact CD1-CB 3.77Å; L223-V299 HydrophobicContact CD1-CG1 4.06Å; L223-V299 HydrophobicContact CD1-CG2 4.07Å |
| 224 | V | 57 | Low | 67.2 | Low | 75 Ų | 75 | 75.6 Ų | 75.6 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 119.9 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 225 | K | 59.8 | Low | 66.5 | Low | 130 Ų | 130 | 73.3 Ų | 73.3 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 136.5 | 174.9 | -71.8 | -176.3 | 179.5 | -179.9 | 0 | 109.2 | L223 | L223-K225 PolarHBondContact O-N 2.95Å; L223-K225 VanDerWaalsContact O-N 3.16Å |
| 226 | P | 53.5 | Low | 66.2 | Low | 24 Ų | 24 | 73.8 Ų | 73.8 | 16% | 0.156 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.5 | -176.2 | 24.1 | -32.8 | 0 | 0 | 0 | 110.5 | I228 L229 Y296 | P226-I228 PolarHBondContact O-N 3.46Å; P226-L229 PolarHBondContact O-N 3.44Å; P226-Y296 HydrophobicContact CG-CD1 4.08Å; P226-Y296 HydrophobicContact CG-CG 4.4Å |
| 227 | T | 50 | Low | 66 | Low | 59 Ų | 59 | 80.6 Ų | 80.6 | 36% | 0.362 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -11.4 | 178.2 | -43.3 | 0 | 0 | 0 | 0 | 113.2 | L229 E230 L232 | T227-L229 PolarHBondContact O-N 3.09Å; T227-E230 VanDerWaalsContact O-O 3.05Å; T227-L232 HydrophobicContact CG2-CB 3.87Å |
| 228 | I | 49.5 | Very low | 66.1 | Low | 131 Ų | 131 | 82.2 Ų | 82.2 | 67% | 0.672 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.9 | 175.4 | -65.3 | 170.2 | 0 | 0 | 0 | 112.1 | P226 N293 | P226-I228 PolarHBondContact O-N 3.46Å; I228-N293 WeakPolarHBondContact CD1-OD1 3.43Å; I228-N293 VanDerWaalsContact CG1-OD1 3.26Å; I228-N293 WeakPolarHBondContact CG1-OD1 3.43Å |
| 229 | L | 49.2 | Very low | 66.3 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 68% | 0.675 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -101.8 | -8.3 | -175.8 | -137.2 | 91.6 | 0 | 0 | 0 | 114.2 | P226 T227 | P226-L229 PolarHBondContact O-N 3.44Å; T227-L229 PolarHBondContact O-N 3.09Å |
| 230 | E | 54.3 | Low | 66.7 | Low | 95 Ų | 95 | 83.6 Ų | 83.6 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -142.2 | 119.5 | -173.9 | -136.2 | 178.1 | 166.8 | 0 | 0 | 109 | T227 L232 Q235 | T227-E230 VanDerWaalsContact O-O 3.05Å; E230-L232 PolarHBondContact O-N 2.91Å; E230-Q235 PolarHBondContact OE1-NE2 3.45Å |
| 231 | D | 61.7 | Low | 67.6 | Low | 106 Ų | 106 | 87.3 Ų | 87.3 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | trans | -72.3 | 74.4 | -175.8 | -134.9 | -22.9 | 0 | 0 | 0 | 109.7 | D233 E234 Q235 | D231-D233 PolarHBondContact O-N 3.37Å; D231-E234 HydrophobicContact CB-CB 3.83Å; D231-E234 WeakPolarHBondContact O-CA 3.42Å; D231-E234 WeakPolarHBondContact O-CB 3.19Å; D231-E234 PolarHBondContact O-N 3.29Å; D231-Q235 PolarHBondContact O-N 2.94Å | ||
| 232 | L | 64.8 | Low | 68.4 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 14% | 0.141 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61 | -29.8 | -173.7 | -143.8 | 92.1 | 0 | 0 | 0 | 110.9 | T227 E230 I236 | T227-L232 HydrophobicContact CG2-CB 3.87Å; E230-L232 PolarHBondContact O-N 2.91Å; L232-I236 HydrophobicContact CD2-CD1 4.31Å; L232-I236 WeakPolarHBondContact O-CB 3.1Å; L232-I236 WeakPolarHBondContact O-CD1 3.39Å; L232-I236 WeakPolarHBondContact O-CG1 3.28Å; L232-I236 PolarHBondContact O-N 3.27Å |
| 233 | D | 69.6 | Low | 69.6 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 174.3 | -73.9 | -38 | 0 | 0 | 0 | 111.4 | D231 I236 Y237 K285 | D231-D233 PolarHBondContact O-N 3.37Å; D233-I236 PolarHBondContact O-N 2.86Å; D233-Y237 WeakPolarHBondContact O-CB 3.33Å; D233-Y237 PolarHBondContact O-N 2.81Å; D233-K285 IonicContact OD1-NZ 3.2Å; D233-K285 PolarHBondContact OD1-NZ 2.99Å |
| 234 | E | 73.9 | Confident | 70.9 | Confident | 121 Ų | 121 | 80.2 Ų | 80.2 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 173.5 | -159.8 | 179.1 | -163 | 0 | 0 | 111.7 | D231 Y237 C238 | D231-E234 HydrophobicContact CB-CB 3.83Å; D231-E234 WeakPolarHBondContact O-CA 3.42Å; D231-E234 WeakPolarHBondContact O-CB 3.19Å; D231-E234 PolarHBondContact O-N 3.29Å; E234-Y237 PolarHBondContact O-N 3.5Å; E234-C238 WeakPolarHBondContact O-CB 3.49Å; E234-C238 PolarHBondContact O-N 3.07Å; E234-C238 PolarHBondContact O-SG 2.88Å |
| 235 | Q | 73.2 | Confident | 72.4 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 174.7 | -70.9 | -173.3 | 13.6 | 0 | 0 | 112.5 | E230 D231 Y237 C238 I239 L281 | E230-Q235 PolarHBondContact OE1-NE2 3.45Å; D231-Q235 PolarHBondContact O-N 2.94Å; Q235-Y237 VanDerWaalsContact C-N 3.29Å; Q235-Y237 PolarHBondContact O-N 3.3Å; Q235-C238 PolarHBondContact O-N 3.31Å; Q235-I239 WeakPolarHBondContact O-CB 3.38Å; Q235-I239 WeakPolarHBondContact O-CG1 3.49Å; Q235-I239 PolarHBondContact O-N 3.37Å; Q235-L281 HydrophobicContact CB-CD2 4.29Å |
| 236 | I | 79.7 | Confident | 73.6 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175.6 | -72.1 | 166.2 | 0 | 0 | 0 | 110 | L232 D233 I239 H240 L281 K285 | L232-I236 HydrophobicContact CD2-CD1 4.31Å; L232-I236 WeakPolarHBondContact O-CB 3.1Å; L232-I236 WeakPolarHBondContact O-CD1 3.39Å; L232-I236 WeakPolarHBondContact O-CG1 3.28Å; L232-I236 PolarHBondContact O-N 3.27Å; D233-I236 PolarHBondContact O-N 2.86Å; I236-I239 PolarHBondContact O-N 3.46Å; I236-H240 VanDerWaalsContact O-CB 3.3Å; I236-H240 WeakPolarHBondContact O-CB 3.37Å; I236-H240 PolarHBondContact O-N 2.74Å; I236-L281 HydrophobicContact CG1-CB 4.16Å; I236-L281 HydrophobicContact CG1-CD2 3.95Å; I236-K285 HydrophobicContact CD1-CB 4.42Å; I236-K285 HydrophobicContact CD1-CD 3.86Å |
| 237 | Y | 81.5 | Confident | 75.1 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 175.8 | -176.8 | -101.2 | 0 | 0 | 0 | 112.1 | D233 E234 Q235 I239 H240 L241 | D233-Y237 WeakPolarHBondContact O-CB 3.33Å; D233-Y237 PolarHBondContact O-N 2.81Å; E234-Y237 PolarHBondContact O-N 3.5Å; Q235-Y237 VanDerWaalsContact C-N 3.29Å; Q235-Y237 PolarHBondContact O-N 3.3Å; Y237-I239 PolarHBondContact O-N 2.95Å; Y237-H240 WeakPolarHBondContact O-CB 3.2Å; Y237-H240 PolarHBondContact O-N 2.97Å; Y237-L241 PolarHBondContact O-N 2.89Å |
| 238 | C | 84.8 | Confident | 76.7 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | E234 Q235 H240 L241 Q242 | E234-C238 WeakPolarHBondContact O-CB 3.49Å; E234-C238 PolarHBondContact O-N 3.07Å; E234-C238 PolarHBondContact O-SG 2.88Å; Q235-C238 PolarHBondContact O-N 3.31Å; C238-H240 VanDerWaalsContact C-N 3.34Å; C238-H240 PolarHBondContact O-N 3.47Å; C238-L241 PolarHBondContact O-N 3.22Å; C238-Q242 WeakPolarHBondContact O-CB 3.35Å; C238-Q242 PolarHBondContact O-N 2.91Å |
| 239 | I | 85.8 | Confident | 78.2 | Confident | 23 Ų | 23 | 82.1 Ų | 82.1 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.8 | -75.4 | 167.9 | 0 | 0 | 0 | 111.1 | Q235 I236 Y237 Q242 E243 I274 K278 L281 | Q235-I239 WeakPolarHBondContact O-CB 3.38Å; Q235-I239 WeakPolarHBondContact O-CG1 3.49Å; Q235-I239 PolarHBondContact O-N 3.37Å; I236-I239 PolarHBondContact O-N 3.46Å; Y237-I239 PolarHBondContact O-N 2.95Å; I239-Q242 PolarHBondContact O-N 3.31Å; I239-E243 PolarHBondContact O-N 2.96Å; I239-I274 HydrophobicContact CG2-CG2 3.93Å; I239-K278 HydrophobicContact CG2-CB 3.85Å; I239-K278 HydrophobicContact CG2-CG 4.35Å; I239-L281 HydrophobicContact CD1-CD1 4.43Å; I239-L281 HydrophobicContact CD1-CD2 3.77Å |
| 240 | H | 87.4 | Confident | 79.6 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175 | -171.8 | -40.8 | 0 | 0 | 0 | 111.3 | I236 Y237 C238 Q242 E243 E244 | I236-H240 VanDerWaalsContact O-CB 3.3Å; I236-H240 WeakPolarHBondContact O-CB 3.37Å; I236-H240 PolarHBondContact O-N 2.74Å; Y237-H240 WeakPolarHBondContact O-CB 3.2Å; Y237-H240 PolarHBondContact O-N 2.97Å; C238-H240 VanDerWaalsContact C-N 3.34Å; C238-H240 PolarHBondContact O-N 3.47Å; H240-Q242 VanDerWaalsContact C-N 3.3Å; H240-Q242 PolarHBondContact O-N 2.89Å; H240-E243 PolarHBondContact O-N 2.86Å; H240-E244 IonicContact CE1-OE1 3.18Å; H240-E244 PolarHBondContact CE1-OE1 3.08Å; H240-E244 IonicContact ND1-OE1 2.71Å; H240-E244 PolarHBondContact O-N 2.9Å |
| 241 | L | 88.2 | Confident | 80.8 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 48% | 0.482 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.3 | -169.6 | 70.7 | 0 | 0 | 0 | 111.4 | Y237 C238 E244 A245 | Y237-L241 PolarHBondContact O-N 2.89Å; C238-L241 PolarHBondContact O-N 3.22Å; L241-E244 PolarHBondContact O-N 3.34Å; L241-A245 WeakPolarHBondContact O-CB 3.45Å; L241-A245 PolarHBondContact O-N 3.37Å |
| 242 | Q | 88.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 75.9 Ų | 75.9 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 177.4 | -160.4 | 177.3 | -9.6 | 0 | 0 | 112.1 | C238 I239 H240 A245 L246 I274 | C238-Q242 WeakPolarHBondContact O-CB 3.35Å; C238-Q242 PolarHBondContact O-N 2.91Å; I239-Q242 PolarHBondContact O-N 3.31Å; H240-Q242 VanDerWaalsContact C-N 3.3Å; H240-Q242 PolarHBondContact O-N 2.89Å; Q242-A245 PolarHBondContact O-N 2.93Å; Q242-L246 HydrophobicContact CG-CD1 4.34Å; Q242-L246 WeakPolarHBondContact O-CB 3.49Å; Q242-L246 PolarHBondContact O-N 2.93Å; Q242-I274 HydrophobicContact CB-CD1 4.18Å; Q242-I274 VanDerWaalsContact CD-CD1 3.41Å; Q242-I274 HydrophobicContact CG-CD1 3.55Å |
| 243 | E | 88.1 | Confident | 81.3 | Confident | 15 Ų | 15 | 75 Ų | 75 | 7% | 0.07 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.4 | -177.7 | 178.1 | -161.2 | 0 | 0 | 110.7 | I239 H240 A245 L246 Q247 I274 R275 K278 | I239-E243 PolarHBondContact O-N 2.96Å; H240-E243 PolarHBondContact O-N 2.86Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.37Å; E243-L246 PolarHBondContact O-N 2.9Å; E243-Q247 WeakPolarHBondContact O-CB 3.42Å; E243-Q247 PolarHBondContact O-N 3.24Å; E243-I274 HydrophobicContact CB-CG2 4.16Å; E243-R275 IonicContact OE1-CZ 2.77Å; E243-R275 IonicContact OE1-NE 2.76Å; E243-R275 PolarHBondContact OE1-NE 3.46Å; E243-R275 VanDerWaalsContact OE1-NE 3.09Å; E243-R275 IonicContact OE1-NH2 3.41Å; E243-R275 PolarHBondContact OE1-NH2 3.49Å; E243-K278 WeakPolarHBondContact OE2-CD 3.46Å; E243-K278 IonicContact OE2-NZ 3.35Å; E243-K278 PolarHBondContact OE2-NZ 2.93Å |
| 244 | E | 88 | Confident | 80.7 | Confident | 69 Ų | 69 | 75 Ų | 75 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 179.1 | -69.3 | -168.1 | 169.1 | 0 | 0 | 112.7 | H240 L241 Q247 R248 | H240-E244 IonicContact CE1-OE1 3.18Å; H240-E244 PolarHBondContact CE1-OE1 3.08Å; H240-E244 IonicContact ND1-OE1 2.71Å; H240-E244 PolarHBondContact O-N 2.9Å; L241-E244 PolarHBondContact O-N 3.34Å; E244-Q247 PolarHBondContact O-N 2.93Å; E244-R248 WeakPolarHBondContact O-CB 3.27Å; E244-R248 VanDerWaalsContact O-CG 3.28Å; E244-R248 WeakPolarHBondContact O-CG 3.31Å; E244-R248 PolarHBondContact O-N 3.39Å; E244-R248 IonicContact OE2-CZ 3.09Å; E244-R248 IonicContact OE2-NH1 3.2Å; E244-R248 PolarHBondContact OE2-NH1 3.26Å; E244-R248 IonicContact OE2-NH2 2.68Å; E244-R248 PolarHBondContact OE2-NH2 3.2Å |
| 245 | A | 88.6 | Confident | 79.9 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L241 Q242 E243 R248 R249 | L241-A245 WeakPolarHBondContact O-CB 3.45Å; L241-A245 PolarHBondContact O-N 3.37Å; Q242-A245 PolarHBondContact O-N 2.93Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.37Å; A245-R248 PolarHBondContact O-N 3.18Å; A245-R249 WeakPolarHBondContact O-CG 3.29Å; A245-R249 PolarHBondContact O-N 3.34Å |
| 246 | L | 84.9 | Confident | 79 | Confident | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.5 | -85.4 | 155.5 | 0 | 0 | 0 | 111.9 | Q242 E243 R249 L250 L267 E270 L271 I274 | Q242-L246 HydrophobicContact CG-CD1 4.34Å; Q242-L246 WeakPolarHBondContact O-CB 3.49Å; Q242-L246 PolarHBondContact O-N 2.93Å; E243-L246 PolarHBondContact O-N 2.9Å; L246-R249 PolarHBondContact O-N 3.09Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 PolarHBondContact O-N 3.41Å; L246-L267 HydrophobicContact CD2-CD1 3.68Å; L246-L267 HydrophobicContact CD2-CG 3.74Å; L246-E270 HydrophobicContact CD1-CG 4.37Å; L246-L271 HydrophobicContact CB-CD1 4.25Å; L246-I274 HydrophobicContact CD1-CD1 3.34Å; L246-I274 HydrophobicContact CD1-CG1 4.48Å |
| 247 | Q | 85.6 | Confident | 77.8 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 177.4 | -165.5 | 166.6 | -9 | 0 | 0 | 111.9 | E243 E244 L250 N251 L271 | E243-Q247 WeakPolarHBondContact O-CB 3.42Å; E243-Q247 PolarHBondContact O-N 3.24Å; E244-Q247 PolarHBondContact O-N 2.93Å; Q247-L250 PolarHBondContact O-N 3.22Å; Q247-N251 VanDerWaalsContact O-CG 3.28Å; Q247-N251 PolarHBondContact O-N 3.02Å; Q247-L271 HydrophobicContact CB-CD1 4.23Å |
| 248 | R | 83.9 | Confident | 76.5 | Confident | 151 Ų | 151 | 83.9 Ų | 83.9 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 171.4 | -71.8 | 177.7 | -169.5 | 109.3 | 4.9 | 112 | E244 A245 L250 N251 G252 | E244-R248 WeakPolarHBondContact O-CB 3.27Å; E244-R248 VanDerWaalsContact O-CG 3.28Å; E244-R248 WeakPolarHBondContact O-CG 3.31Å; E244-R248 PolarHBondContact O-N 3.39Å; E244-R248 IonicContact OE2-CZ 3.09Å; E244-R248 IonicContact OE2-NH1 3.2Å; E244-R248 PolarHBondContact OE2-NH1 3.26Å; E244-R248 IonicContact OE2-NH2 2.68Å; E244-R248 PolarHBondContact OE2-NH2 3.2Å; A245-R248 PolarHBondContact O-N 3.18Å; R248-L250 VanDerWaalsContact C-N 3.33Å; R248-L250 PolarHBondContact O-N 2.99Å; R248-N251 PolarHBondContact O-N 3.33Å; R248-G252 PolarHBondContact O-N 3.42Å |
| 249 | R | 80.5 | Confident | 75.1 | Confident | 173 Ų | 173 | 88.8 Ų | 88.8 | 65% | 0.653 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.7 | -33.4 | 176.1 | -76.8 | -177.7 | 172.4 | -166.5 | -1.1 | 113.1 | A245 L246 S253 L267 | A245-R249 WeakPolarHBondContact O-CG 3.29Å; A245-R249 PolarHBondContact O-N 3.34Å; L246-R249 PolarHBondContact O-N 3.09Å; R249-S253 WeakPolarHBondContact O-CB 3.28Å; R249-S253 PolarHBondContact O-N 2.78Å; R249-S253 VanDerWaalsContact O-N 3.17Å; R249-S253 PolarHBondContact O-OG 3.38Å; R249-L267 HydrophobicContact CB-CD2 3.97Å |
| 250 | L | 79.3 | Confident | 73.7 | Confident | 47 Ų | 47 | 92.3 Ų | 92.3 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.7 | -48.9 | 174.9 | -163.9 | 79 | 0 | 0 | 0 | 110.7 | L246 Q247 R248 G252 S253 S254 L267 T268 | L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 PolarHBondContact O-N 3.41Å; Q247-L250 PolarHBondContact O-N 3.22Å; R248-L250 VanDerWaalsContact C-N 3.33Å; R248-L250 PolarHBondContact O-N 2.99Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.26Å; L250-S253 WeakPolarHBondContact O-CB 3.46Å; L250-S253 PolarHBondContact O-N 3.43Å; L250-S254 PolarHBondContact O-N 2.75Å; L250-L267 HydrophobicContact CB-CD2 4.26Å; L250-L267 HydrophobicContact CD1-CB 4.27Å; L250-L267 HydrophobicContact CD1-CD2 4.04Å; L250-T268 HydrophobicContact CD1-CG2 3.83Å; L250-T268 HydrophobicContact CD2-CG2 4.35Å |
| 251 | N | 78.8 | Confident | 72.7 | Confident | 102 Ų | 102 | 91.3 Ų | 91.3 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -28.8 | 178.5 | -67.5 | -7.9 | 0 | 0 | 0 | 113.2 | Q247 R248 S254 | Q247-N251 VanDerWaalsContact O-CG 3.28Å; Q247-N251 PolarHBondContact O-N 3.02Å; R248-N251 PolarHBondContact O-N 3.33Å; N251-S254 PolarHBondContact O-OG 3.15Å |
| 252 | G | 73.4 | Confident | 71.7 | Confident | 51 Ų | 51 | 91.6 Ų | 91.6 | 53% | 0.526 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.1 | -19.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R248 L250 | R248-G252 PolarHBondContact O-N 3.42Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.26Å |
| 253 | S | 64.6 | Low | 71.1 | Confident | 7 Ų | 7 | 91.4 Ų | 91.4 | 5% | 0.049 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -84 | -19.3 | 179.1 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | R249 L250 S255 R260 | R249-S253 WeakPolarHBondContact O-CB 3.28Å; R249-S253 PolarHBondContact O-N 2.78Å; R249-S253 VanDerWaalsContact O-N 3.17Å; R249-S253 PolarHBondContact O-OG 3.38Å; L250-S253 WeakPolarHBondContact O-CB 3.46Å; L250-S253 PolarHBondContact O-N 3.43Å; S253-S255 PolarHBondContact O-N 2.93Å; S253-R260 PolarHBondContact OG-NE 3.46Å; S253-R260 PolarHBondContact OG-NH1 2.82Å; S253-R260 PolarHBondContact OG-NH2 3.04Å |
| 254 | S | 56.5 | Low | 70.4 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -7.9 | 179.7 | 44.9 | 0 | 0 | 0 | 0 | 114.6 | L250 N251 | L250-S254 PolarHBondContact O-N 2.75Å; N251-S254 PolarHBondContact O-OG 3.15Å |
| 255 | S | 56.9 | Low | 70 | Confident | 89 Ų | 89 | 96.3 Ų | 96.3 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6 | -178.2 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | S253 | S253-S255 PolarHBondContact O-N 2.93Š|
| 256 | H | 54.5 | Low | 69.6 | Low | 151 Ų | 151 | 100.2 Ų | 100.2 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | -130.9 | 100.3 | -179.1 | -76.4 | -87.6 | 0 | 0 | 0 | 112.3 | Y258 | H256-Y258 PolarHBondContact O-N 3.35Š| ||
| 257 | T | 54.8 | Low | 69.3 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | trans | -79.9 | -13 | -156.7 | -47 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 258 | Y | 54.2 | Low | 69.2 | Low | 214 Ų | 214 | 99 Ų | 99 | 84% | 0.839 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -109.6 | -7 | -158.9 | -64.5 | -77.3 | 0 | 0 | 0 | 118.2 | H256 | H256-Y258 PolarHBondContact O-N 3.35Š|
| 259 | I | 54.6 | Low | 69.3 | Low | 173 Ų | 173 | 98.8 Ų | 98.8 | 89% | 0.887 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -129.2 | 2.5 | -175.6 | -58.7 | -176.4 | 0 | 0 | 0 | 114.5 | ||
| 260 | R | 57.5 | Low | 69.5 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 37% | 0.366 | 51% | 0.509 | S | S | . | . | trans | -116.3 | 19.5 | -155.9 | -143.3 | 164.8 | -176.1 | 169 | -2.7 | 118.4 | S253 F263 T264 | S253-R260 PolarHBondContact OG-NE 3.46Å; S253-R260 PolarHBondContact OG-NH1 2.82Å; S253-R260 PolarHBondContact OG-NH2 3.04Å; R260-F263 HydrophobicContact CG-CB 3.76Å; R260-F263 HydrophobicContact CG-CD1 3.87Å; R260-F263 HydrophobicContact CG-CG 4.13Å; R260-T264 HydrophobicContact CB-CG2 4.43Å; R260-T264 HydrophobicContact CG-CG2 4.18Å; R260-T264 WeakPolarHBondContact O-CB 3.23Å; R260-T264 WeakPolarHBondContact O-CG2 3.18Å; R260-T264 PolarHBondContact O-N 2.82Å; R260-T264 PolarHBondContact O-OG1 2.89Å | ||
| 261 | G | 64.8 | Low | 69.8 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T264 F265 | G261-T264 PolarHBondContact O-OG1 3.32Å; G261-T264 VanDerWaalsContact O-OG1 3.06Å; G261-F265 WeakPolarHBondContact O-CB 3.19Å; G261-F265 PolarHBondContact O-N 3.25Å |
| 262 | S | 68.4 | Low | 70.1 | Confident | 97 Ų | 97 | 92.8 Ų | 92.8 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.3 | -41.5 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | F265 Q266 | S262-F265 PolarHBondContact O-N 3.3Å; S262-Q266 PolarHBondContact O-N 3.25Å |
| 263 | F | 75.3 | Confident | 70.8 | Confident | 92 Ų | 92 | 95 Ų | 95 | 40% | 0.404 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | -179.2 | -178.4 | -83.7 | 0 | 0 | 0 | 112.6 | R260 Q266 L267 | R260-F263 HydrophobicContact CG-CB 3.76Å; R260-F263 HydrophobicContact CG-CD1 3.87Å; R260-F263 HydrophobicContact CG-CG 4.13Å; F263-Q266 PolarHBondContact O-N 3.23Å; F263-L267 HydrophobicContact CE1-CD1 4.18Å; F263-L267 HydrophobicContact CE1-CD2 4.32Å; F263-L267 HydrophobicContact CZ-CD1 4.22Å; F263-L267 WeakPolarHBondContact O-CB 3.38Å; F263-L267 PolarHBondContact O-N 3.19Å |
| 264 | T | 73.4 | Confident | 71.7 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.1 | 46.3 | 0 | 0 | 0 | 0 | 111.3 | R260 G261 Q266 L267 T268 | R260-T264 HydrophobicContact CB-CG2 4.43Å; R260-T264 HydrophobicContact CG-CG2 4.18Å; R260-T264 WeakPolarHBondContact O-CB 3.23Å; R260-T264 WeakPolarHBondContact O-CG2 3.18Å; R260-T264 PolarHBondContact O-N 2.82Å; R260-T264 PolarHBondContact O-OG1 2.89Å; G261-T264 PolarHBondContact O-OG1 3.32Å; G261-T264 VanDerWaalsContact O-OG1 3.06Å; T264-Q266 PolarHBondContact O-N 3.24Å; T264-L267 PolarHBondContact O-N 2.78Å; T264-T268 WeakPolarHBondContact O-CG2 3.35Å; T264-T268 PolarHBondContact O-N 3.48Å; T264-T268 PolarHBondContact O-OG1 2.91Å |
| 265 | F | 79.1 | Confident | 73.1 | Confident | 142 Ų | 142 | 95 Ų | 95 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.1 | -43.1 | 174.5 | -178.9 | -100.6 | 0 | 0 | 0 | 112.9 | G261 S262 T268 K269 | G261-F265 WeakPolarHBondContact O-CB 3.19Å; G261-F265 PolarHBondContact O-N 3.25Å; S262-F265 PolarHBondContact O-N 3.3Å; F265-T268 VanDerWaalsContact C-OG1 3.31Å; F265-T268 VanDerWaalsContact CA-OG1 3.28Å; F265-T268 WeakPolarHBondContact CA-OG1 3.47Å; F265-T268 PolarHBondContact O-N 3.14Å; F265-T268 PolarHBondContact O-OG1 2.61Å; F265-K269 WeakPolarHBondContact O-CB 3.34Å; F265-K269 PolarHBondContact O-N 3.29Å |
| 266 | Q | 80.3 | Confident | 74.4 | Confident | 125 Ų | 125 | 94.9 Ų | 94.9 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 176.5 | -168.8 | 172.7 | 3.6 | 0 | 0 | 111.7 | S262 F263 T264 K269 E270 | S262-Q266 PolarHBondContact O-N 3.25Å; F263-Q266 PolarHBondContact O-N 3.23Å; T264-Q266 PolarHBondContact O-N 3.24Å; Q266-K269 PolarHBondContact O-N 2.8Å; Q266-E270 WeakPolarHBondContact O-CB 3.3Å; Q266-E270 PolarHBondContact O-N 3.18Å |
| 267 | L | 79.9 | Confident | 75.5 | Confident | 11 Ų | 11 | 92 Ų | 92 | 6% | 0.058 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.9 | -143.1 | 76.3 | 0 | 0 | 0 | 112.3 | L246 R249 L250 F263 T264 E270 L271 | L246-L267 HydrophobicContact CD2-CD1 3.68Å; L246-L267 HydrophobicContact CD2-CG 3.74Å; R249-L267 HydrophobicContact CB-CD2 3.97Å; L250-L267 HydrophobicContact CB-CD2 4.26Å; L250-L267 HydrophobicContact CD1-CB 4.27Å; L250-L267 HydrophobicContact CD1-CD2 4.04Å; F263-L267 HydrophobicContact CE1-CD1 4.18Å; F263-L267 HydrophobicContact CE1-CD2 4.32Å; F263-L267 HydrophobicContact CZ-CD1 4.22Å; F263-L267 WeakPolarHBondContact O-CB 3.38Å; F263-L267 PolarHBondContact O-N 3.19Å; T264-L267 PolarHBondContact O-N 2.78Å; L267-E270 PolarHBondContact O-N 2.9Å; L267-L271 WeakPolarHBondContact O-CB 3.43Å; L267-L271 PolarHBondContact O-N 3.41Å |
| 268 | T | 82.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 88.4 Ų | 88.4 | 34% | 0.344 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 174.2 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | L250 T264 F265 E270 L271 D272 | L250-T268 HydrophobicContact CD1-CG2 3.83Å; L250-T268 HydrophobicContact CD2-CG2 4.35Å; T264-T268 WeakPolarHBondContact O-CG2 3.35Å; T264-T268 PolarHBondContact O-N 3.48Å; T264-T268 PolarHBondContact O-OG1 2.91Å; F265-T268 VanDerWaalsContact C-OG1 3.31Å; F265-T268 VanDerWaalsContact CA-OG1 3.28Å; F265-T268 WeakPolarHBondContact CA-OG1 3.47Å; F265-T268 PolarHBondContact O-N 3.14Å; F265-T268 PolarHBondContact O-OG1 2.61Å; T268-E270 VanDerWaalsContact C-N 3.35Å; T268-L271 PolarHBondContact O-N 3.37Å; T268-D272 PolarHBondContact O-N 2.77Å |
| 269 | K | 86 | Confident | 78 | Confident | 146 Ų | 146 | 81.6 Ų | 81.6 | 64% | 0.635 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 176.3 | -174.1 | 179.3 | 179.8 | -179.3 | 0 | 111.9 | F265 Q266 N273 | F265-K269 WeakPolarHBondContact O-CB 3.34Å; F265-K269 PolarHBondContact O-N 3.29Å; Q266-K269 PolarHBondContact O-N 2.8Å; K269-N273 PolarHBondContact O-N 3.22Å; K269-N273 VanDerWaalsContact O-N 3.08Å |
| 270 | E | 84.4 | Confident | 79.1 | Confident | 91 Ų | 91 | 80 Ų | 80 | 43% | 0.425 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 176.7 | -162.6 | 172.4 | -165 | 0 | 0 | 111.6 | L246 Q266 L267 T268 N273 I274 | L246-E270 HydrophobicContact CD1-CG 4.37Å; Q266-E270 WeakPolarHBondContact O-CB 3.3Å; Q266-E270 PolarHBondContact O-N 3.18Å; L267-E270 PolarHBondContact O-N 2.9Å; T268-E270 VanDerWaalsContact C-N 3.35Å; E270-N273 WeakPolarHBondContact O-CB 3.26Å; E270-N273 PolarHBondContact O-N 3.01Å; E270-I274 WeakPolarHBondContact O-CG1 3.36Å; E270-I274 PolarHBondContact O-N 3.18Å |
| 271 | L | 86.1 | Confident | 79.7 | Confident | 15 Ų | 15 | 76.7 Ų | 76.7 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.6 | -170.9 | 147.7 | 0 | 0 | 0 | 112 | L246 Q247 L267 T268 N273 I274 R275 | L246-L271 HydrophobicContact CB-CD1 4.25Å; Q247-L271 HydrophobicContact CB-CD1 4.23Å; L267-L271 WeakPolarHBondContact O-CB 3.43Å; L267-L271 PolarHBondContact O-N 3.41Å; T268-L271 PolarHBondContact O-N 3.37Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; L271-I274 PolarHBondContact O-N 3.4Å; L271-R275 WeakPolarHBondContact O-CB 3.29Å; L271-R275 PolarHBondContact O-N 2.93Å |
| 272 | D | 85.7 | Confident | 80.1 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 174.5 | -89.6 | -11.8 | 0 | 0 | 0 | 112.6 | T268 R275 N276 | T268-D272 PolarHBondContact O-N 2.77Å; D272-R275 PolarHBondContact O-N 3.41Å; D272-N276 VanDerWaalsContact O-CB 3.31Å; D272-N276 WeakPolarHBondContact O-CB 3.3Å; D272-N276 PolarHBondContact O-N 2.93Å; D272-N276 PolarHBondContact O-ND2 3.24Å; D272-N276 VanDerWaalsContact O-ND2 3.16Å |
| 273 | N | 87.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 82.2 Ų | 82.2 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.4 | -163.7 | 28.4 | 0 | 0 | 0 | 111.3 | K269 E270 L271 N276 Q277 | K269-N273 PolarHBondContact O-N 3.22Å; K269-N273 VanDerWaalsContact O-N 3.08Å; E270-N273 WeakPolarHBondContact O-CB 3.26Å; E270-N273 PolarHBondContact O-N 3.01Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-N273 PolarHBondContact O-N 3.48Å; N273-N276 PolarHBondContact O-N 3.35Å; N273-Q277 WeakPolarHBondContact O-CG 3.24Å; N273-Q277 PolarHBondContact O-N 3.44Å |
| 274 | I | 84.5 | Confident | 79.5 | Confident | 5 Ų | 5 | 84.6 Ų | 84.6 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.6 | -69 | -172.6 | 0 | 0 | 0 | 111.3 | I239 Q242 E243 L246 E270 L271 N276 Q277 K278 | I239-I274 HydrophobicContact CG2-CG2 3.93Å; Q242-I274 HydrophobicContact CB-CD1 4.18Å; Q242-I274 VanDerWaalsContact CD-CD1 3.41Å; Q242-I274 HydrophobicContact CG-CD1 3.55Å; E243-I274 HydrophobicContact CB-CG2 4.16Å; L246-I274 HydrophobicContact CD1-CD1 3.34Å; L246-I274 HydrophobicContact CD1-CG1 4.48Å; E270-I274 WeakPolarHBondContact O-CG1 3.36Å; E270-I274 PolarHBondContact O-N 3.18Å; L271-I274 PolarHBondContact O-N 3.4Å; I274-N276 VanDerWaalsContact C-N 3.31Å; I274-N276 PolarHBondContact O-N 3.2Å; I274-Q277 WeakPolarHBondContact O-CB 3.47Å; I274-Q277 PolarHBondContact O-N 3.1Å; I274-Q277 VanDerWaalsContact O-N 3.16Å; I274-K278 WeakPolarHBondContact O-CB 3.29Å; I274-K278 PolarHBondContact O-N 2.83Å |
| 275 | R | 85.3 | Confident | 79.1 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 176.5 | -167.8 | 174.5 | -80.8 | 168.8 | -7.9 | 111.8 | E243 L271 D272 K278 N279 | E243-R275 IonicContact OE1-CZ 2.77Å; E243-R275 IonicContact OE1-NE 2.76Å; E243-R275 PolarHBondContact OE1-NE 3.46Å; E243-R275 VanDerWaalsContact OE1-NE 3.09Å; E243-R275 IonicContact OE1-NH2 3.41Å; E243-R275 PolarHBondContact OE1-NH2 3.49Å; L271-R275 WeakPolarHBondContact O-CB 3.29Å; L271-R275 PolarHBondContact O-N 2.93Å; D272-R275 PolarHBondContact O-N 3.41Å; R275-K278 PolarHBondContact O-N 3.25Å; R275-N279 WeakPolarHBondContact O-CB 3.17Å; R275-N279 VanDerWaalsContact O-CG 3.27Å; R275-N279 PolarHBondContact O-N 3.45Å; R275-N279 PolarHBondContact O-ND2 3.35Å |
| 276 | N | 83.2 | Confident | 78.3 | Confident | 87 Ų | 87 | 89.4 Ų | 89.4 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 171.8 | -82.5 | -37.2 | 0 | 0 | 0 | 112.8 | D272 N273 I274 K280 | D272-N276 VanDerWaalsContact O-CB 3.31Å; D272-N276 WeakPolarHBondContact O-CB 3.3Å; D272-N276 PolarHBondContact O-N 2.93Å; D272-N276 PolarHBondContact O-ND2 3.24Å; D272-N276 VanDerWaalsContact O-ND2 3.16Å; N273-N276 PolarHBondContact O-N 3.35Å; I274-N276 VanDerWaalsContact C-N 3.31Å; I274-N276 PolarHBondContact O-N 3.2Å; N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.22Å; N276-K280 PolarHBondContact O-N 3.32Å |
| 277 | Q | 79.3 | Confident | 77.3 | Confident | 89 Ų | 89 | 85.3 Ų | 85.3 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 173.2 | -75.2 | -179.5 | -53 | 0 | 0 | 111.3 | N273 I274 N279 K280 L281 | N273-Q277 WeakPolarHBondContact O-CG 3.24Å; N273-Q277 PolarHBondContact O-N 3.44Å; I274-Q277 WeakPolarHBondContact O-CB 3.47Å; I274-Q277 PolarHBondContact O-N 3.1Å; I274-Q277 VanDerWaalsContact O-N 3.16Å; Q277-N279 PolarHBondContact O-N 2.89Å; Q277-K280 WeakPolarHBondContact O-CB 3.4Å; Q277-K280 PolarHBondContact O-N 2.95Å; Q277-K280 VanDerWaalsContact O-N 3.14Å; Q277-L281 WeakPolarHBondContact O-CD1 3.43Å; Q277-L281 PolarHBondContact O-N 2.91Å |
| 278 | K | 81 | Confident | 76.1 | Confident | 34 Ų | 34 | 88.2 Ų | 88.2 | 15% | 0.148 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 174.3 | -173.4 | -175.5 | -176.9 | 179.3 | 0 | 111.8 | I239 E243 I274 R275 K280 L281 E282 | I239-K278 HydrophobicContact CG2-CB 3.85Å; I239-K278 HydrophobicContact CG2-CG 4.35Å; E243-K278 WeakPolarHBondContact OE2-CD 3.46Å; E243-K278 IonicContact OE2-NZ 3.35Å; E243-K278 PolarHBondContact OE2-NZ 2.93Å; I274-K278 WeakPolarHBondContact O-CB 3.29Å; I274-K278 PolarHBondContact O-N 2.83Å; R275-K278 PolarHBondContact O-N 3.25Å; K278-K280 VanDerWaalsContact C-N 3.29Å; K278-K280 PolarHBondContact O-N 3.41Å; K278-L281 CarbonylContact O-C 3.57Å; K278-L281 PolarHBondContact O-N 3Å; K278-L281 VanDerWaalsContact O-N 3.08Å; K278-E282 VanDerWaalsContact CE-OE1 3.26Å; K278-E282 WeakPolarHBondContact CE-OE1 3.26Å; K278-E282 HydrophobicContact CG-CG 4.39Å; K278-E282 WeakPolarHBondContact O-CB 3.21Å; K278-E282 PolarHBondContact O-N 3.07Å |
| 279 | N | 79.1 | Confident | 75 | Confident | 72 Ų | 72 | 88 Ų | 88 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.7 | -75.9 | -17.6 | 0 | 0 | 0 | 112.6 | R275 Q277 R283 | R275-N279 WeakPolarHBondContact O-CB 3.17Å; R275-N279 VanDerWaalsContact O-CG 3.27Å; R275-N279 PolarHBondContact O-N 3.45Å; R275-N279 PolarHBondContact O-ND2 3.35Å; Q277-N279 PolarHBondContact O-N 2.89Å; N279-R283 WeakPolarHBondContact O-CB 3.13Å; N279-R283 VanDerWaalsContact O-CG 3.25Å; N279-R283 WeakPolarHBondContact O-CG 3.27Å; N279-R283 PolarHBondContact O-N 3.04Å |
| 280 | K | 77.6 | Confident | 73.5 | Confident | 139 Ų | 139 | 90.2 Ų | 90.2 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 173.5 | -74.4 | 172.4 | -179 | 176.6 | 0 | 111.4 | N276 Q277 K278 R284 | N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.22Å; N276-K280 PolarHBondContact O-N 3.32Å; Q277-K280 WeakPolarHBondContact O-CB 3.4Å; Q277-K280 PolarHBondContact O-N 2.95Å; Q277-K280 VanDerWaalsContact O-N 3.14Å; K278-K280 VanDerWaalsContact C-N 3.29Å; K278-K280 PolarHBondContact O-N 3.41Å; K280-R284 VanDerWaalsContact O-CG 3.31Å; K280-R284 WeakPolarHBondContact O-CG 3.16Å; K280-R284 PolarHBondContact O-N 3.03Å |
| 281 | L | 70.5 | Confident | 72.3 | Confident | 27 Ų | 27 | 91.6 Ų | 91.6 | 14% | 0.141 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70 | -38.4 | 178 | -90.5 | 78 | 0 | 0 | 0 | 112.5 | Q235 I236 I239 Q277 K278 R284 K285 | Q235-L281 HydrophobicContact CB-CD2 4.29Å; I236-L281 HydrophobicContact CG1-CB 4.16Å; I236-L281 HydrophobicContact CG1-CD2 3.95Å; I239-L281 HydrophobicContact CD1-CD1 4.43Å; I239-L281 HydrophobicContact CD1-CD2 3.77Å; Q277-L281 WeakPolarHBondContact O-CD1 3.43Å; Q277-L281 PolarHBondContact O-N 2.91Å; K278-L281 CarbonylContact O-C 3.57Å; K278-L281 PolarHBondContact O-N 3Å; K278-L281 VanDerWaalsContact O-N 3.08Å; L281-R284 CarbonylContact O-C 3.47Å; L281-R284 WeakPolarHBondContact O-CA 3.5Å; L281-R284 WeakPolarHBondContact O-CB 3.12Å; L281-R284 PolarHBondContact O-N 2.94Å; L281-K285 PolarHBondContact O-N 3.45Å |
| 282 | E | 73.6 | Confident | 71.1 | Confident | 71 Ų | 71 | 92 Ų | 92 | 33% | 0.332 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 175.3 | -76.7 | -174.8 | -175.5 | 0 | 0 | 112.3 | K278 R284 K285 K286 | K278-E282 VanDerWaalsContact CE-OE1 3.26Å; K278-E282 WeakPolarHBondContact CE-OE1 3.26Å; K278-E282 HydrophobicContact CG-CG 4.39Å; K278-E282 WeakPolarHBondContact O-CB 3.21Å; K278-E282 PolarHBondContact O-N 3.07Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CB 3.39Å; E282-K285 PolarHBondContact O-N 2.85Å; E282-K285 VanDerWaalsContact O-N 3.12Å; E282-K286 PolarHBondContact O-N 2.98Å |
| 283 | R | 68.6 | Low | 70.2 | Confident | 200 Ų | 200 | 91.3 Ų | 91.3 | 76% | 0.755 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 169.5 | -78.1 | 179 | -176 | -176.4 | 2.6 | 111 | N279 K285 K286 A287 | N279-R283 WeakPolarHBondContact O-CB 3.13Å; N279-R283 VanDerWaalsContact O-CG 3.25Å; N279-R283 WeakPolarHBondContact O-CG 3.27Å; N279-R283 PolarHBondContact O-N 3.04Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.3Å; R283-K286 PolarHBondContact O-N 3.21Å; R283-A287 PolarHBondContact O-N 3.25Å |
| 284 | R | 61.8 | Low | 69.4 | Low | 142 Ų | 142 | 89.6 Ų | 89.6 | 54% | 0.536 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 170.8 | -71.8 | 175.5 | -171.4 | -142.2 | 1.2 | 110.2 | K280 L281 E282 K286 A287 K292 | K280-R284 VanDerWaalsContact O-CG 3.31Å; K280-R284 WeakPolarHBondContact O-CG 3.16Å; K280-R284 PolarHBondContact O-N 3.03Å; L281-R284 CarbonylContact O-C 3.47Å; L281-R284 WeakPolarHBondContact O-CA 3.5Å; L281-R284 WeakPolarHBondContact O-CB 3.12Å; L281-R284 PolarHBondContact O-N 2.94Å; E282-R284 VanDerWaalsContact C-N 3.32Å; R284-K286 PolarHBondContact O-N 3.46Å; R284-A287 PolarHBondContact O-N 3.42Å; R284-K292 WeakPolarHBondContact O-CE 3.45Å; R284-K292 PolarHBondContact O-NZ 3Å |
| 285 | K | 65.8 | Low | 69.1 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 177.5 | -169 | 172.3 | -176 | 161.7 | 0 | 114 | D233 I236 L281 E282 R283 K292 | D233-K285 IonicContact OD1-NZ 3.2Å; D233-K285 PolarHBondContact OD1-NZ 2.99Å; I236-K285 HydrophobicContact CD1-CB 4.42Å; I236-K285 HydrophobicContact CD1-CD 3.86Å; L281-K285 PolarHBondContact O-N 3.45Å; E282-K285 CarbonylContact O-C 3.57Å; E282-K285 WeakPolarHBondContact O-CB 3.39Å; E282-K285 PolarHBondContact O-N 2.85Å; E282-K285 VanDerWaalsContact O-N 3.12Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.3Å; K285-K292 PolarHBondContact O-NZ 3.22Å |
| 286 | K | 61.9 | Low | 68.6 | Low | 182 Ų | 182 | 90.5 Ų | 90.5 | 79% | 0.791 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -77.2 | -15.8 | 178.8 | -76.1 | -177.5 | 179.4 | 178.1 | 0 | 115.4 | E282 R283 R284 | E282-K286 PolarHBondContact O-N 2.98Å; R283-K286 PolarHBondContact O-N 3.21Å; R284-K286 PolarHBondContact O-N 3.46Å |
| 287 | A | 58.6 | Low | 68.5 | Low | 38 Ų | 38 | 89.3 Ų | 89.3 | 31% | 0.314 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -63 | 145.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | R283 R284 G289 K292 | R283-A287 PolarHBondContact O-N 3.25Å; R284-A287 PolarHBondContact O-N 3.42Å; A287-G289 PolarHBondContact O-N 3.28Å; A287-K292 WeakPolarHBondContact O-CE 3.37Å; A287-K292 PolarHBondContact O-NZ 2.84Å |
| 288 | S | 56.5 | Low | 68.6 | Low | 72 Ų | 72 | 89.4 Ų | 89.4 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | trans | -56 | 137 | -171.6 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | W290 E291 K292 | S288-W290 PolarHBondContact O-N 3.26Å; S288-W290 VanDerWaalsContact O-N 3.12Å; S288-E291 PolarHBondContact O-N 3.36Å; S288-K292 PolarHBondContact O-N 3.41Å | ||
| 289 | G | 57.8 | Low | 68.7 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.6 | -25 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A287 N293 | A287-G289 PolarHBondContact O-N 3.28Å; G289-N293 WeakPolarHBondContact O-CB 3.33Å; G289-N293 PolarHBondContact O-N 3.43Å; G289-N293 VanDerWaalsContact O-N 3.14Å |
| 290 | W | 54.6 | Low | 69 | Low | 192 Ų | 192 | 88.4 Ų | 88.4 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.2 | -40 | 175.5 | -142.7 | 77.4 | 0 | 0 | 0 | 112.4 | S288 K292 L294 L295 | S288-W290 PolarHBondContact O-N 3.26Å; S288-W290 VanDerWaalsContact O-N 3.12Å; W290-K292 VanDerWaalsContact C-N 3.31Å; W290-K292 PolarHBondContact O-N 3.07Å; W290-L294 HydrophobicContact CD2-CD2 4.04Å; W290-L294 VanDerWaalsContact CE2-CD2 3.45Å; W290-L294 HydrophobicContact CH2-CD2 4.03Å; W290-L294 HydrophobicContact CZ2-CD2 3.46Å; W290-L294 VanDerWaalsContact CZ2-CD2 3.46Å; W290-L294 WeakPolarHBondContact O-CB 3.3Å; W290-L294 PolarHBondContact O-N 2.9Å; W290-L295 PolarHBondContact O-N 3.19Å |
| 291 | E | 59 | Low | 69.3 | Low | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -73 | -23.4 | -179.9 | -161.1 | 178.5 | -179.8 | 0 | 0 | 112.5 | S288 L295 | S288-E291 PolarHBondContact O-N 3.36Å; E291-L295 HydrophobicContact CG-CD2 3.99Å; E291-L295 VanDerWaalsContact O-CB 3.24Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å |
| 292 | K | 62 | Low | 70.1 | Confident | 24 Ų | 24 | 91 Ų | 91 | 10% | 0.104 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -91.9 | -38.9 | -179 | -66.1 | 171.1 | -175.4 | 164.1 | 0 | 114 | R284 K285 A287 S288 W290 | R284-K292 WeakPolarHBondContact O-CE 3.45Å; R284-K292 PolarHBondContact O-NZ 3Å; K285-K292 PolarHBondContact O-NZ 3.22Å; A287-K292 WeakPolarHBondContact O-CE 3.37Å; A287-K292 PolarHBondContact O-NZ 2.84Å; S288-K292 PolarHBondContact O-N 3.41Å; W290-K292 VanDerWaalsContact C-N 3.31Å; W290-K292 PolarHBondContact O-N 3.07Å |
| 293 | N | 65.8 | Low | 70.8 | Confident | 75 Ų | 75 | 88.3 Ų | 88.3 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -104.3 | -27.8 | -166.4 | -145.6 | 39.7 | 0 | 0 | 0 | 112.9 | I228 G289 P297 | I228-N293 WeakPolarHBondContact CD1-OD1 3.43Å; I228-N293 VanDerWaalsContact CG1-OD1 3.26Å; I228-N293 WeakPolarHBondContact CG1-OD1 3.43Å; G289-N293 WeakPolarHBondContact O-CB 3.33Å; G289-N293 PolarHBondContact O-N 3.43Å; G289-N293 VanDerWaalsContact O-N 3.14Å; N293-P297 VanDerWaalsContact O-CD 3.23Å; N293-P297 WeakPolarHBondContact O-CD 3.39Å; N293-P297 WeakPolarHBondContact O-CG 3.37Å |
| 294 | L | 70.3 | Confident | 71.8 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -37.6 | -179.2 | -165.5 | 71.5 | 0 | 0 | 0 | 112.3 | W290 Y296 P297 M298 | W290-L294 HydrophobicContact CD2-CD2 4.04Å; W290-L294 VanDerWaalsContact CE2-CD2 3.45Å; W290-L294 HydrophobicContact CH2-CD2 4.03Å; W290-L294 HydrophobicContact CZ2-CD2 3.46Å; W290-L294 VanDerWaalsContact CZ2-CD2 3.46Å; W290-L294 WeakPolarHBondContact O-CB 3.3Å; W290-L294 PolarHBondContact O-N 2.9Å; L294-Y296 PolarHBondContact O-N 3Å; L294-P297 VanDerWaalsContact O-CD 3.26Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-P297 WeakPolarHBondContact O-CG 3.21Å; L294-M298 HydrophobicContact CD1-CE 4.06Å; L294-M298 HydrophobicContact CD1-CG 4.23Å; L294-M298 HydrophobicContact CD2-CE 4.47Å; L294-M298 HydrophobicContact CG-CE 4.31Å; L294-M298 HydrophobicContact CG-CG 3.87Å; L294-M298 WeakPolarHBondContact O-CB 3.38Å; L294-M298 WeakPolarHBondContact O-CG 3.4Å; L294-M298 PolarHBondContact O-N 3.42Å |
| 295 | L | 78.6 | Confident | 73 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | -175.9 | -171.4 | 65.2 | 0 | 0 | 0 | 112.3 | L223 W290 E291 M298 V299 | L223-L295 HydrophobicContact CD2-CD2 3.81Å; L223-L295 HydrophobicContact CD2-CG 4.09Å; W290-L295 PolarHBondContact O-N 3.19Å; E291-L295 HydrophobicContact CG-CD2 3.99Å; E291-L295 VanDerWaalsContact O-CB 3.24Å; E291-L295 WeakPolarHBondContact O-CB 3.41Å; L295-M298 PolarHBondContact O-N 3.04Å; L295-V299 HydrophobicContact CD1-CG2 3.96Å; L295-V299 HydrophobicContact CG-CG2 4.21Å; L295-V299 WeakPolarHBondContact O-CB 3.13Å; L295-V299 VanDerWaalsContact O-CG2 3.26Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 2.8Å |
| 296 | Y | 76.1 | Confident | 74.1 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.5 | -58.2 | 177.9 | -176.1 | -84.7 | 0 | 0 | 0 | 113.1 | L223 P226 L294 M298 V299 M300 | L223-Y296 HydrophobicContact CB-CD2 3.66Å; L223-Y296 HydrophobicContact CB-CE2 4.34Å; L223-Y296 HydrophobicContact CD1-CD2 4.21Å; P226-Y296 HydrophobicContact CG-CD1 4.08Å; P226-Y296 HydrophobicContact CG-CG 4.4Å; L294-Y296 PolarHBondContact O-N 3Å; Y296-M298 VanDerWaalsContact C-N 3.31Å; Y296-M298 PolarHBondContact O-N 3.02Å; Y296-V299 PolarHBondContact O-N 3Å; Y296-M300 HydrophobicContact CD1-CG 4.27Å; Y296-M300 HydrophobicContact CE1-CG 3.9Å; Y296-M300 WeakPolarHBondContact O-CB 3.35Å; Y296-M300 VanDerWaalsContact O-CG 3.3Å; Y296-M300 WeakPolarHBondContact O-CG 3.11Å; Y296-M300 PolarHBondContact O-N 3.13Å |
| 297 | P | 79.4 | Confident | 75.4 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 40% | 0.403 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -33.9 | 179 | 24.7 | -33.5 | 0 | 0 | 0 | 112.4 | N293 L294 L301 | N293-P297 VanDerWaalsContact O-CD 3.23Å; N293-P297 WeakPolarHBondContact O-CD 3.39Å; N293-P297 WeakPolarHBondContact O-CG 3.37Å; L294-P297 VanDerWaalsContact O-CD 3.26Å; L294-P297 WeakPolarHBondContact O-CD 3.32Å; L294-P297 WeakPolarHBondContact O-CG 3.21Å; P297-L301 WeakPolarHBondContact O-CB 3.48Å; P297-L301 PolarHBondContact O-N 2.99Å |
| 298 | M | 82.2 | Confident | 76.8 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 176.8 | -76.9 | -65.3 | -165.2 | 0 | 0 | 112.4 | L294 L295 Y296 M300 L301 I302 | L294-M298 HydrophobicContact CD1-CE 4.06Å; L294-M298 HydrophobicContact CD1-CG 4.23Å; L294-M298 HydrophobicContact CD2-CE 4.47Å; L294-M298 HydrophobicContact CG-CE 4.31Å; L294-M298 HydrophobicContact CG-CG 3.87Å; L294-M298 WeakPolarHBondContact O-CB 3.38Å; L294-M298 WeakPolarHBondContact O-CG 3.4Å; L294-M298 PolarHBondContact O-N 3.42Å; L295-M298 PolarHBondContact O-N 3.04Å; Y296-M298 VanDerWaalsContact C-N 3.31Å; Y296-M298 PolarHBondContact O-N 3.02Å; M298-M300 VanDerWaalsContact C-N 3.34Å; M298-M300 PolarHBondContact O-N 3.42Å; M298-L301 PolarHBondContact O-N 2.85Å; M298-I302 VanDerWaalsContact O-CG1 3.25Å; M298-I302 WeakPolarHBondContact O-CG1 3.46Å; M298-I302 PolarHBondContact O-N 2.96Å |
| 299 | V | 83.9 | Confident | 78.4 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 24% | 0.242 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66 | -40 | 179 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | V219 L223 L295 Y296 L301 I302 L303 | V219-V299 HydrophobicContact CG1-CB 4.38Å; V219-V299 HydrophobicContact CG1-CG1 3.56Å; L223-V299 HydrophobicContact CD1-CB 3.77Å; L223-V299 HydrophobicContact CD1-CG1 4.06Å; L223-V299 HydrophobicContact CD1-CG2 4.07Å; L295-V299 HydrophobicContact CD1-CG2 3.96Å; L295-V299 HydrophobicContact CG-CG2 4.21Å; L295-V299 WeakPolarHBondContact O-CB 3.13Å; L295-V299 VanDerWaalsContact O-CG2 3.26Å; L295-V299 WeakPolarHBondContact O-CG2 3.42Å; L295-V299 PolarHBondContact O-N 2.8Å; Y296-V299 PolarHBondContact O-N 3Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.32Å; V299-I302 PolarHBondContact O-N 2.98Å; V299-L303 HydrophobicContact CG1-CD1 4.44Å; V299-L303 WeakPolarHBondContact O-CG 3.28Å; V299-L303 PolarHBondContact O-N 3.28Å |
| 300 | M | 83.8 | Confident | 79.9 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.8 | -72.1 | -66.8 | -74.6 | 0 | 0 | 112.3 | F216 Y296 M298 L303 L304 | F216-M300 HydrophobicContact CB-CE 4.21Å; F216-M300 HydrophobicContact CD1-CE 3.58Å; F216-M300 HydrophobicContact CD1-SD 3.89Å; F216-M300 HydrophobicContact CE1-CE 4.47Å; F216-M300 HydrophobicContact CG-CE 4.36Å; Y296-M300 HydrophobicContact CD1-CG 4.27Å; Y296-M300 HydrophobicContact CE1-CG 3.9Å; Y296-M300 WeakPolarHBondContact O-CB 3.35Å; Y296-M300 VanDerWaalsContact O-CG 3.3Å; Y296-M300 WeakPolarHBondContact O-CG 3.11Å; Y296-M300 PolarHBondContact O-N 3.13Å; M298-M300 VanDerWaalsContact C-N 3.34Å; M298-M300 PolarHBondContact O-N 3.42Å; M300-L303 PolarHBondContact O-N 2.98Å; M300-L303 HydrophobicContact SD-CD1 4.28Å; M300-L304 WeakPolarHBondContact O-CB 3.39Å; M300-L304 PolarHBondContact O-N 2.78Å |
| 301 | L | 85.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 174.7 | -170.6 | 156 | 0 | 0 | 0 | 111.1 | P297 M298 V299 L304 A305 | P297-L301 WeakPolarHBondContact O-CB 3.48Å; P297-L301 PolarHBondContact O-N 2.99Å; M298-L301 PolarHBondContact O-N 2.85Å; V299-L301 VanDerWaalsContact C-N 3.33Å; V299-L301 PolarHBondContact O-N 3.32Å; L301-L304 PolarHBondContact O-N 3.45Å; L301-A305 VanDerWaalsContact O-CB 3.28Å; L301-A305 WeakPolarHBondContact O-CB 3.39Å; L301-A305 PolarHBondContact O-N 3.32Å |
| 302 | I | 87.6 | Confident | 83 | Confident | 110 Ų | 110 | 53 Ų | 53 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.6 | -69.4 | 163.5 | 0 | 0 | 0 | 110.9 | M298 V299 A305 G306 | M298-I302 VanDerWaalsContact O-CG1 3.25Å; M298-I302 WeakPolarHBondContact O-CG1 3.46Å; M298-I302 PolarHBondContact O-N 2.96Å; V299-I302 PolarHBondContact O-N 2.98Å; I302-A305 PolarHBondContact O-N 3.09Å; I302-G306 PolarHBondContact O-N 3.01Å |
| 303 | L | 87.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 174.4 | -74.3 | 173.1 | 0 | 0 | 0 | 111.3 | M215 F216 V219 V299 M300 G306 T307 Y359 | M215-L303 HydrophobicContact CB-CD2 4.14Å; F216-L303 HydrophobicContact CD1-CB 4.16Å; F216-L303 HydrophobicContact CD1-CD1 4.21Å; F216-L303 HydrophobicContact CE1-CB 3.63Å; F216-L303 HydrophobicContact CZ-CB 4.07Å; V219-L303 HydrophobicContact CB-CD1 3.9Å; V219-L303 HydrophobicContact CG1-CD1 4.02Å; V219-L303 HydrophobicContact CG2-CD1 3.84Å; V299-L303 HydrophobicContact CG1-CD1 4.44Å; V299-L303 WeakPolarHBondContact O-CG 3.28Å; V299-L303 PolarHBondContact O-N 3.28Å; M300-L303 PolarHBondContact O-N 2.98Å; M300-L303 HydrophobicContact SD-CD1 4.28Å; L303-G306 PolarHBondContact O-N 3.25Å; L303-T307 WeakPolarHBondContact O-CG2 3.35Å; L303-T307 PolarHBondContact O-N 2.95Å; L303-T307 PolarHBondContact O-OG1 3.48Å; L303-Y359 HydrophobicContact CD2-CD2 4.47Å; L303-Y359 HydrophobicContact CD2-CE2 3.72Å |
| 304 | L | 88.4 | Confident | 85.3 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 177.7 | -176.8 | 58 | 0 | 0 | 0 | 111.7 | F216 M300 L301 G306 T307 T308 F452 | F216-L304 HydrophobicContact CE1-CB 4.3Å; F216-L304 HydrophobicContact CZ-CB 4.44Å; F216-L304 HydrophobicContact CZ-CD1 4.48Å; M300-L304 WeakPolarHBondContact O-CB 3.39Å; M300-L304 PolarHBondContact O-N 2.78Å; L301-L304 PolarHBondContact O-N 3.45Å; L304-G306 PolarHBondContact O-N 3.39Å; L304-T307 WeakPolarHBondContact CA-OG1 3.48Å; L304-T307 PolarHBondContact O-N 2.85Å; L304-T307 PolarHBondContact O-OG1 3Å; L304-T308 HydrophobicContact CD1-CG2 4.02Å; L304-T308 HydrophobicContact CG-CG2 4.41Å; L304-T308 WeakPolarHBondContact O-CB 3.37Å; L304-T308 VanDerWaalsContact O-CG2 3.31Å; L304-T308 WeakPolarHBondContact O-CG2 3.31Å; L304-T308 PolarHBondContact O-N 3.47Å; L304-T308 PolarHBondContact O-OG1 3.48Å; L304-F452 HydrophobicContact CD1-CE2 3.94Å; L304-F452 HydrophobicContact CD1-CZ 3.68Å |
| 305 | A | 88.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L301 I302 T307 T308 I309 | L301-A305 VanDerWaalsContact O-CB 3.28Å; L301-A305 WeakPolarHBondContact O-CB 3.39Å; L301-A305 PolarHBondContact O-N 3.32Å; I302-A305 PolarHBondContact O-N 3.09Å; A305-T307 PolarHBondContact O-N 2.92Å; A305-T308 WeakPolarHBondContact CA-OG1 3.28Å; A305-T308 PolarHBondContact O-N 3.49Å; A305-T308 PolarHBondContact O-OG1 3.41Å; A305-I309 HydrophobicContact CB-CD1 4.47Å; A305-I309 VanDerWaalsContact O-CB 3.28Å; A305-I309 WeakPolarHBondContact O-CB 3.47Å; A305-I309 WeakPolarHBondContact O-CD1 3.38Å; A305-I309 WeakPolarHBondContact O-CG1 3.31Å; A305-I309 PolarHBondContact O-N 3.33Å |
| 306 | G | 88.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | I302 L303 L304 S310 | I302-G306 PolarHBondContact O-N 3.01Å; L303-G306 PolarHBondContact O-N 3.25Å; L304-G306 PolarHBondContact O-N 3.39Å; G306-S310 WeakPolarHBondContact O-CB 3.38Å; G306-S310 PolarHBondContact O-N 3.46Å; G306-S310 PolarHBondContact O-OG 3.04Å |
| 307 | T | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -41 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | M212 F216 L303 L304 A305 S310 V311 Y359 L448 | M212-T307 HydrophobicContact CB-CG2 3.94Å; M212-T307 HydrophobicContact CG-CG2 4.24Å; M212-T307 HydrophobicContact SD-CG2 4.11Å; F216-T307 HydrophobicContact CE2-CG2 4.05Å; F216-T307 HydrophobicContact CZ-CG2 4.15Å; L303-T307 WeakPolarHBondContact O-CG2 3.35Å; L303-T307 PolarHBondContact O-N 2.95Å; L303-T307 PolarHBondContact O-OG1 3.48Å; L304-T307 WeakPolarHBondContact CA-OG1 3.48Å; L304-T307 PolarHBondContact O-N 2.85Å; L304-T307 PolarHBondContact O-OG1 3Å; A305-T307 PolarHBondContact O-N 2.92Å; T307-S310 PolarHBondContact O-OG 3.1Å; T307-V311 WeakPolarHBondContact O-CG2 3.4Å; T307-V311 PolarHBondContact O-N 2.99Å; T307-V311 VanDerWaalsContact O-N 3.09Å; T307-Y359 HydrophobicContact CG2-CE1 4.21Å; T307-Y359 WeakPolarHBondContact CG2-OH 3.5Å; T307-L448 HydrophobicContact CG2-CD2 4.21Å |
| 308 | T | 88.2 | Confident | 87.3 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.7 | -42.9 | -178.6 | 49 | 0 | 0 | 0 | 0 | 110.9 | L304 A305 S310 V311 I312 | L304-T308 HydrophobicContact CD1-CG2 4.02Å; L304-T308 HydrophobicContact CG-CG2 4.41Å; L304-T308 WeakPolarHBondContact O-CB 3.37Å; L304-T308 VanDerWaalsContact O-CG2 3.31Å; L304-T308 WeakPolarHBondContact O-CG2 3.31Å; L304-T308 PolarHBondContact O-N 3.47Å; L304-T308 PolarHBondContact O-OG1 3.48Å; A305-T308 WeakPolarHBondContact CA-OG1 3.28Å; A305-T308 PolarHBondContact O-N 3.49Å; A305-T308 PolarHBondContact O-OG1 3.41Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.18Å; T308-V311 PolarHBondContact O-N 3.22Å; T308-I312 WeakPolarHBondContact O-CB 3.36Å; T308-I312 WeakPolarHBondContact O-CD1 3.43Å; T308-I312 WeakPolarHBondContact O-CG1 3.49Å; T308-I312 PolarHBondContact O-N 3.47Å |
| 309 | I | 89.5 | Confident | 87.5 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.4 | -66.8 | 165.8 | 0 | 0 | 0 | 110.5 | A305 I312 M313 V352 L356 | A305-I309 HydrophobicContact CB-CD1 4.47Å; A305-I309 VanDerWaalsContact O-CB 3.28Å; A305-I309 WeakPolarHBondContact O-CB 3.47Å; A305-I309 WeakPolarHBondContact O-CD1 3.38Å; A305-I309 WeakPolarHBondContact O-CG1 3.31Å; A305-I309 PolarHBondContact O-N 3.33Å; I309-I312 PolarHBondContact O-N 3.45Å; I309-M313 HydrophobicContact CG2-CE 4.16Å; I309-M313 HydrophobicContact CG2-CG 4.39Å; I309-M313 HydrophobicContact CG2-SD 4.31Å; I309-M313 WeakPolarHBondContact O-CB 3.2Å; I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 2.66Å; I309-V352 HydrophobicContact CG2-CG1 4.48Å; I309-L356 HydrophobicContact CG2-CD1 3.94Å; I309-L356 HydrophobicContact CG2-CD2 4.44Å |
| 310 | S | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.9 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | G306 T307 T308 M313 V314 | G306-S310 WeakPolarHBondContact O-CB 3.38Å; G306-S310 PolarHBondContact O-N 3.46Å; G306-S310 PolarHBondContact O-OG 3.04Å; T307-S310 PolarHBondContact O-OG 3.1Å; T308-S310 VanDerWaalsContact C-N 3.34Å; T308-S310 PolarHBondContact O-N 3.18Å; S310-M313 PolarHBondContact O-N 3.26Å; S310-V314 VanDerWaalsContact O-CG2 3.31Å; S310-V314 WeakPolarHBondContact O-CG2 3.32Å; S310-V314 PolarHBondContact O-N 2.68Å |
| 311 | V | 90.3 | Very high | 87.3 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | T307 T308 V314 A315 T444 | T307-V311 WeakPolarHBondContact O-CG2 3.4Å; T307-V311 PolarHBondContact O-N 2.99Å; T307-V311 VanDerWaalsContact O-N 3.09Å; T308-V311 PolarHBondContact O-N 3.22Å; V311-V314 PolarHBondContact O-N 3.33Å; V311-A315 WeakPolarHBondContact O-CB 3.3Å; V311-A315 PolarHBondContact O-N 3.24Å; V311-T444 HydrophobicContact CG2-CG2 3.41Å; V311-T444 VanDerWaalsContact CG2-CG2 3.41Å |
| 312 | I | 89.4 | Confident | 87.2 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.7 | -70.6 | 166 | 0 | 0 | 0 | 110.6 | T308 I309 V314 A315 L316 | T308-I312 WeakPolarHBondContact O-CB 3.36Å; T308-I312 WeakPolarHBondContact O-CD1 3.43Å; T308-I312 WeakPolarHBondContact O-CG1 3.49Å; T308-I312 PolarHBondContact O-N 3.47Å; I309-I312 PolarHBondContact O-N 3.45Å; I312-V314 PolarHBondContact O-N 2.92Å; I312-A315 PolarHBondContact O-N 3.22Å; I312-L316 HydrophobicContact CG2-CD1 4.01Å; I312-L316 HydrophobicContact CG2-CG 4.36Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 VanDerWaalsContact O-CG 3.32Å; I312-L316 WeakPolarHBondContact O-CG 3.3Å; I312-L316 PolarHBondContact O-N 2.97Å |
| 313 | M | 86.6 | Confident | 86.9 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.7 | -79.3 | -173.1 | 170.2 | 0 | 0 | 111.7 | I309 S310 L316 N317 V352 L356 I412 | I309-M313 HydrophobicContact CG2-CE 4.16Å; I309-M313 HydrophobicContact CG2-CG 4.39Å; I309-M313 HydrophobicContact CG2-SD 4.31Å; I309-M313 WeakPolarHBondContact O-CB 3.2Å; I309-M313 WeakPolarHBondContact O-CG 3.39Å; I309-M313 PolarHBondContact O-N 2.66Å; S310-M313 PolarHBondContact O-N 3.26Å; M313-L316 PolarHBondContact O-N 3.32Å; M313-N317 WeakPolarHBondContact O-CB 3.37Å; M313-N317 PolarHBondContact O-N 3.47Å; M313-V352 HydrophobicContact CE-CG1 4.05Å; M313-L356 HydrophobicContact CE-CD1 3.93Å; M313-L356 HydrophobicContact SD-CD1 3.52Å; M313-L356 VanDerWaalsContact SD-CD1 3.52Å; M313-I412 HydrophobicContact SD-CG2 4.22Å |
| 314 | V | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | S310 V311 I312 N317 I318 L410 N437 F440 A441 | S310-V314 VanDerWaalsContact O-CG2 3.31Å; S310-V314 WeakPolarHBondContact O-CG2 3.32Å; S310-V314 PolarHBondContact O-N 2.68Å; V311-V314 PolarHBondContact O-N 3.33Å; I312-V314 PolarHBondContact O-N 2.92Å; V314-N317 WeakPolarHBondContact O-CB 3.13Å; V314-N317 PolarHBondContact O-N 3.27Å; V314-I318 HydrophobicContact CG1-CD1 4.1Å; V314-I318 VanDerWaalsContact O-CG1 3.29Å; V314-I318 WeakPolarHBondContact O-CG1 2.86Å; V314-I318 PolarHBondContact O-N 3.09Å; V314-L410 HydrophobicContact CG1-CD2 4.21Å; V314-L410 HydrophobicContact CG2-CB 3.9Å; V314-L410 HydrophobicContact CG2-CD1 4.34Å; V314-L410 HydrophobicContact CG2-CD2 3.86Å; V314-L410 HydrophobicContact CG2-CG 4.24Å; V314-N437 HydrophobicContact CG1-CB 4.2Å; V314-F440 HydrophobicContact CB-CD1 4.41Å; V314-F440 HydrophobicContact CG1-CD1 4.19Å; V314-F440 HydrophobicContact CG2-CD1 3.88Å; V314-F440 HydrophobicContact CG2-CE1 3.97Å; V314-A441 HydrophobicContact CG1-CB 4.13Å |
| 315 | A | 88 | Confident | 84.6 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V311 I312 N317 I318 L319 | V311-A315 WeakPolarHBondContact O-CB 3.3Å; V311-A315 PolarHBondContact O-N 3.24Å; I312-A315 PolarHBondContact O-N 3.22Å; A315-N317 VanDerWaalsContact C-N 3.35Å; A315-I318 PolarHBondContact O-N 3.06Å; A315-L319 PolarHBondContact O-N 2.93Å |
| 316 | L | 86.5 | Confident | 83 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 45% | 0.45 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.5 | -69.2 | 174.3 | 0 | 0 | 0 | 111 | I312 M313 I318 L319 Y320 | I312-L316 HydrophobicContact CG2-CD1 4.01Å; I312-L316 HydrophobicContact CG2-CG 4.36Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 VanDerWaalsContact O-CG 3.32Å; I312-L316 WeakPolarHBondContact O-CG 3.3Å; I312-L316 PolarHBondContact O-N 2.97Å; M313-L316 PolarHBondContact O-N 3.32Å; L316-I318 VanDerWaalsContact C-N 3.35Å; L316-I318 PolarHBondContact O-N 3.22Å; L316-L319 WeakPolarHBondContact O-CB 3.32Å; L316-L319 PolarHBondContact O-N 2.86Å; L316-L319 VanDerWaalsContact O-N 3.17Å; L316-Y320 HydrophobicContact CB-CE2 4.49Å; L316-Y320 WeakPolarHBondContact O-CD2 3.22Å; L316-Y320 PolarHBondContact O-N 2.88Å |
| 317 | N | 85.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.2 | -171.2 | 52.4 | 0 | 0 | 0 | 112 | M313 V314 A315 L319 Y320 L321 T409 L410 G411 N437 | M313-N317 WeakPolarHBondContact O-CB 3.37Å; M313-N317 PolarHBondContact O-N 3.47Å; V314-N317 WeakPolarHBondContact O-CB 3.13Å; V314-N317 PolarHBondContact O-N 3.27Å; A315-N317 VanDerWaalsContact C-N 3.35Å; N317-L319 VanDerWaalsContact C-N 3.32Å; N317-L319 PolarHBondContact O-N 2.84Å; N317-Y320 PolarHBondContact O-N 2.97Å; N317-L321 WeakPolarHBondContact O-CB 3.37Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.48Å; N317-L321 PolarHBondContact O-N 3.32Å; N317-T409 PolarHBondContact ND2-O 2.88Å; N317-L410 WeakPolarHBondContact CB-O 3.39Å; N317-L410 VanDerWaalsContact ND2-C 3.3Å; N317-L410 PolarHBondContact ND2-O 3.48Å; N317-G411 PolarHBondContact ND2-N 3.35Å; N317-N437 PolarHBondContact ND2-OD1 3.35Å |
| 318 | I | 86.9 | Confident | 80 | Confident | 30 Ų | 30 | 65 Ų | 65 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 173.5 | -68 | 164.6 | 0 | 0 | 0 | 110.7 | V314 A315 L316 L321 L322 L434 N437 A441 | V314-I318 HydrophobicContact CG1-CD1 4.1Å; V314-I318 VanDerWaalsContact O-CG1 3.29Å; V314-I318 WeakPolarHBondContact O-CG1 2.86Å; V314-I318 PolarHBondContact O-N 3.09Å; A315-I318 PolarHBondContact O-N 3.06Å; L316-I318 VanDerWaalsContact C-N 3.35Å; L316-I318 PolarHBondContact O-N 3.22Å; I318-L321 PolarHBondContact O-N 3.01Å; I318-L322 WeakPolarHBondContact O-CB 3.37Å; I318-L322 PolarHBondContact O-N 3.37Å; I318-L434 HydrophobicContact CG2-CD1 4Å; I318-N437 HydrophobicContact CD1-CB 4.05Å; I318-N437 HydrophobicContact CG1-CB 3.61Å; I318-A441 HydrophobicContact CD1-CB 4.17Å |
| 319 | L | 85.6 | Confident | 78.4 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.2 | -175.9 | 65.9 | 0 | 0 | 0 | 111.7 | A315 L316 N317 L322 V323 | A315-L319 PolarHBondContact O-N 2.93Å; L316-L319 WeakPolarHBondContact O-CB 3.32Å; L316-L319 PolarHBondContact O-N 2.86Å; L316-L319 VanDerWaalsContact O-N 3.17Å; N317-L319 VanDerWaalsContact C-N 3.32Å; N317-L319 PolarHBondContact O-N 2.84Å; L319-L322 PolarHBondContact O-N 3.46Å; L319-V323 HydrophobicContact CD1-CG2 4.33Å; L319-V323 VanDerWaalsContact O-CG2 3.3Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 3.18Å; L319-V323 VanDerWaalsContact O-N 3.07Å |
| 320 | Y | 82.6 | Confident | 76.7 | Confident | 132 Ų | 132 | 66 Ų | 66 | 52% | 0.518 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.9 | -83.2 | -66.5 | 0 | 0 | 0 | 111.9 | L316 N317 L322 V323 D324 | L316-Y320 HydrophobicContact CB-CE2 4.49Å; L316-Y320 WeakPolarHBondContact O-CD2 3.22Å; L316-Y320 PolarHBondContact O-N 2.88Å; N317-Y320 PolarHBondContact O-N 2.97Å; Y320-L322 VanDerWaalsContact C-N 3.25Å; Y320-L322 PolarHBondContact O-N 2.83Å; Y320-V323 PolarHBondContact O-N 3.46Å; Y320-D324 PolarHBondContact O-N 2.87Å |
| 321 | L | 81.9 | Confident | 74.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.2 | -36.3 | 176.6 | -73 | 170.6 | 0 | 0 | 0 | 111.9 | N317 I318 F430 V433 | N317-L321 WeakPolarHBondContact O-CB 3.37Å; N317-L321 VanDerWaalsContact O-CG 3.31Å; N317-L321 WeakPolarHBondContact O-CG 3.48Å; N317-L321 PolarHBondContact O-N 3.32Å; I318-L321 PolarHBondContact O-N 3.01Å; L321-F430 HydrophobicContact CB-CE2 4.11Å; L321-F430 VanDerWaalsContact O-CE2 3.26Å; L321-F430 WeakPolarHBondContact O-CE2 3Å; L321-V433 HydrophobicContact CD1-CG1 3.91Å |
| 322 | L | 82.2 | Confident | 72.5 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -75.8 | -26.8 | -179.6 | -156.3 | 71.5 | 0 | 0 | 0 | 113.4 | I318 L319 Y320 | I318-L322 WeakPolarHBondContact O-CB 3.37Å; I318-L322 PolarHBondContact O-N 3.37Å; L319-L322 PolarHBondContact O-N 3.46Å; Y320-L322 VanDerWaalsContact C-N 3.25Å; Y320-L322 PolarHBondContact O-N 2.83Å |
| 323 | V | 81.3 | Confident | 70.1 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -91.8 | -32.4 | -178.1 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | L319 Y320 | L319-V323 HydrophobicContact CD1-CG2 4.33Å; L319-V323 VanDerWaalsContact O-CG2 3.3Å; L319-V323 WeakPolarHBondContact O-CG2 3.32Å; L319-V323 PolarHBondContact O-N 3.18Å; L319-V323 VanDerWaalsContact O-N 3.07Å; Y320-V323 PolarHBondContact O-N 3.46Å |
| 324 | D | 70.6 | Confident | 67.9 | Low | 73 Ų | 73 | 77.7 Ų | 77.7 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | trans | -134.7 | 105.8 | -175.5 | -172.1 | 0.6 | 0 | 0 | 0 | 111.5 | Y320 T326 A327 | Y320-D324 PolarHBondContact O-N 2.87Å; D324-T326 VanDerWaalsContact CG-OG1 3.24Å; D324-T326 PolarHBondContact O-N 3.31Å; D324-T326 VanDerWaalsContact O-N 3.14Å; D324-T326 WeakPolarHBondContact OD1-CB 3.3Å; D324-T326 PolarHBondContact OD1-N 3.13Å; D324-T326 PolarHBondContact OD1-OG1 2.68Å; D324-T326 PolarHBondContact OD2-OG1 3.4Å; D324-A327 HydrophobicContact CB-CB 4.31Å; D324-A327 WeakPolarHBondContact O-CB 3.32Å; D324-A327 PolarHBondContact O-N 2.63Å; D324-A327 VanDerWaalsContact O-N 3.09Å | ||
| 325 | E | 57.5 | Low | 65.7 | Low | 148 Ų | 148 | 86.8 Ų | 86.8 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -62.7 | -17.2 | 176.4 | -74.7 | -174.8 | 163 | 0 | 0 | 112.8 | A327 M328 | E325-A327 VanDerWaalsContact C-N 3.33Å; E325-M328 WeakPolarHBondContact O-CE 3.27Å |
| 326 | T | 54.3 | Low | 63.6 | Low | 116 Ų | 116 | 86.7 Ų | 86.7 | 71% | 0.712 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -82.8 | -8.7 | 176.4 | 71 | 0 | 0 | 0 | 0 | 113.8 | D324 M328 | D324-T326 VanDerWaalsContact CG-OG1 3.24Å; D324-T326 PolarHBondContact O-N 3.31Å; D324-T326 VanDerWaalsContact O-N 3.14Å; D324-T326 WeakPolarHBondContact OD1-CB 3.3Å; D324-T326 PolarHBondContact OD1-N 3.13Å; D324-T326 PolarHBondContact OD1-OG1 2.68Å; D324-T326 PolarHBondContact OD2-OG1 3.4Å; T326-M328 PolarHBondContact O-N 2.94Å |
| 327 | A | 54.7 | Low | 61.9 | Low | 42 Ų | 42 | 84.6 Ų | 84.6 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -78 | 1.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D324 E325 | D324-A327 HydrophobicContact CB-CB 4.31Å; D324-A327 WeakPolarHBondContact O-CB 3.32Å; D324-A327 PolarHBondContact O-N 2.63Å; D324-A327 VanDerWaalsContact O-N 3.09Å; E325-A327 VanDerWaalsContact C-N 3.33Å |
| 328 | M | 60 | Low | 60.1 | Low | 26 Ų | 26 | 84.4 Ų | 84.4 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -55 | 146.1 | 172.6 | -77.7 | -173.6 | -97.3 | 0 | 0 | 110.4 | E325 T326 K330 F430 | E325-M328 WeakPolarHBondContact O-CE 3.27Å; T326-M328 PolarHBondContact O-N 2.94Å; M328-K330 HydrophobicContact CB-CD 4.31Å; M328-K330 HydrophobicContact CB-CG 3.94Å; M328-K330 PolarHBondContact O-N 3.45Å; M328-F430 HydrophobicContact SD-CB 4.07Å |
| 329 | P | 55 | Low | 58.1 | Low | 20 Ų | 20 | 89.4 Ų | 89.4 | 13% | 0.13 | 49% | 0.487 | C | S | . | . | trans | -71.2 | 43.1 | 177.2 | 31.3 | -35.9 | 0 | 0 | 0 | 112.3 | G331 R408 L427 V433 | P329-G331 PolarHBondContact O-N 3.32Å; P329-R408 HydrophobicContact CB-CG 4.02Å; P329-R408 PolarHBondContact O-NE 3.19Å; P329-R408 PolarHBondContact O-NH2 3.21Å; P329-R408 VanDerWaalsContact O-NH2 3.12Å; P329-L427 HydrophobicContact CB-CD2 4.33Å; P329-L427 HydrophobicContact CG-CD2 4.24Å; P329-L427 HydrophobicContact CG-CG 4.2Å; P329-V433 HydrophobicContact CG-CG1 4.48Å; P329-V433 HydrophobicContact CG-CG2 4.39Å | ||
| 330 | K | 53.6 | Low | 56 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | trans | -68.2 | 123.6 | 174 | -67.1 | -179.7 | -179.5 | 177.6 | 0 | 107.6 | M328 S332 | M328-K330 HydrophobicContact CB-CD 4.31Å; M328-K330 HydrophobicContact CB-CG 3.94Å; M328-K330 PolarHBondContact O-N 3.45Å; K330-S332 PolarHBondContact O-N 3.3Å | ||
| 331 | G | 48.4 | Very low | 53.9 | Low | 45 Ų | 45 | 86 Ų | 86 | 46% | 0.464 | 49% | 0.488 | S | S | . | . | trans | -53.9 | 113.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P329 D416 | P329-G331 PolarHBondContact O-N 3.32Å; G331-D416 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 332 | S | 43.5 | Very low | 52.4 | Low | 49 Ų | 49 | 88.8 Ų | 88.8 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | trans | -87.4 | 117.4 | 175.8 | 60 | 0 | 0 | 0 | 0 | 108.3 | K330 E334 D416 | K330-S332 PolarHBondContact O-N 3.3Å; S332-E334 PolarHBondContact O-N 2.88Å; S332-E334 VanDerWaalsContact O-N 3.07Å; S332-D416 PolarHBondContact N-OD2 3.06Å | ||
| 333 | T | 39.1 | Very low | 50.6 | Low | 141 Ų | 141 | 83.7 Ų | 83.7 | 87% | 0.865 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -3.4 | -176.7 | -6.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 334 | E | 40 | Very low | 49.1 | Very low | 181 Ų | 181 | 84.1 Ų | 84.1 | 85% | 0.846 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.4 | 52.3 | -169.8 | -70.9 | -169.5 | 146.8 | 0 | 0 | 114.5 | S332 | S332-E334 PolarHBondContact O-N 2.88Å; S332-E334 VanDerWaalsContact O-N 3.07Å |
| 335 | R | 42.6 | Very low | 48.5 | Very low | 192 Ų | 192 | 88.7 Ų | 88.7 | 73% | 0.725 | 50% | 0.496 | S | S | * | . | trans | -123.4 | 85.1 | 161 | -77.9 | -176.7 | -175.3 | 144.7 | 2.5 | 110.6 | I337 | R335-I337 PolarHBondContact O-N 2.95Š| ||
| 336 | G | 43.7 | Very low | 49 | Very low | 46 Ų | 46 | 82.8 Ų | 82.8 | 47% | 0.474 | 48% | 0.476 | S | S | . | . | trans | -53.6 | 132 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G338 N339 | G336-G338 PolarHBondContact O-N 3.47Å; G336-N339 PolarHBondContact O-N 3.39Å | ||
| 337 | I | 50.9 | Low | 50.1 | Low | 42 Ų | 42 | 80.9 Ų | 80.9 | 22% | 0.215 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 126.4 | 173.7 | -63.5 | 171.6 | 0 | 0 | 0 | 108.5 | L87 I104 R335 F415 L417 | L87-I337 HydrophobicContact CD1-CG2 4.44Å; I104-I337 HydrophobicContact CD1-CD1 4.34Å; R335-I337 PolarHBondContact O-N 2.95Å; I337-F415 HydrophobicContact CG1-CZ 4.22Å; I337-L417 HydrophobicContact CD1-CD2 4.44Å |
| 338 | G | 48.8 | Very low | 51.4 | Low | 23 Ų | 23 | 85 Ų | 85 | 24% | 0.237 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 3.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | L88 G336 | L88-G338 WeakPolarHBondContact CD2-O 3.19Å; G336-G338 PolarHBondContact O-N 3.47Å |
| 339 | N | 43.2 | Very low | 52.3 | Low | 135 Ų | 135 | 85.5 Ų | 85.5 | 72% | 0.722 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -97.4 | -17.6 | -177.4 | -74.1 | -6.7 | 0 | 0 | 0 | 115.3 | G336 | G336-N339 PolarHBondContact O-N 3.39Š|
| 340 | T | 42.4 | Very low | 53.6 | Low | 86 Ų | 86 | 85 Ų | 85 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -146.5 | 139.5 | 172.1 | 45 | 0 | 0 | 0 | 0 | 109.6 | L342 | T340-L342 PolarHBondContact O-N 2.9Š|
| 341 | S | 38.3 | Very low | 55.1 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 53% | 0.531 | 47% | 0.473 | S | S | . | . | trans | -61.4 | 107.5 | 168.7 | 55.5 | 0 | 0 | 0 | 0 | 108.2 | S343 | S341-S343 PolarHBondContact O-N 3.45Å; S341-S343 VanDerWaalsContact O-N 3.07Å | ||
| 342 | L | 50.1 | Low | 56.9 | Low | 62 Ų | 62 | 82.5 Ų | 82.5 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -64.9 | -9.1 | -179 | -95.8 | 108 | 0 | 0 | 0 | 113.5 | T340 R414 F415 | T340-L342 PolarHBondContact O-N 2.9Å; L342-R414 HydrophobicContact CD2-CB 4.1Å; L342-R414 WeakPolarHBondContact CD2-O 3.24Å; L342-F415 HydrophobicContact CD1-CE2 4.5Å |
| 343 | S | 44.4 | Very low | 58.9 | Low | 11 Ų | 11 | 80.8 Ų | 80.8 | 8% | 0.077 | 45% | 0.451 | C | S | . | . | trans | -103.7 | 126.2 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | S341 F345 G346 Q349 | S341-S343 PolarHBondContact O-N 3.45Å; S341-S343 VanDerWaalsContact O-N 3.07Å; S343-F345 PolarHBondContact O-N 3.4Å; S343-F345 VanDerWaalsContact O-N 3.1Å; S343-F345 VanDerWaalsContact OG-C 3.22Å; S343-F345 VanDerWaalsContact OG-CA 3.32Å; S343-F345 WeakPolarHBondContact OG-CA 3.2Å; S343-F345 PolarHBondContact OG-N 2.95Å; S343-G346 WeakPolarHBondContact CB-O 3.47Å; S343-G346 PolarHBondContact O-N 2.89Å; S343-G346 PolarHBondContact OG-N 3.14Å; S343-G346 PolarHBondContact OG-O 3.2Å; S343-Q349 WeakPolarHBondContact OG-CB 3.42Å; S343-Q349 PolarHBondContact OG-OE1 3.49Å | ||
| 344 | T | 50.4 | Low | 61.3 | Low | 126 Ų | 126 | 75.2 Ų | 75.2 | 77% | 0.773 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.8 | 165.8 | -29.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 345 | F | 56.8 | Low | 63.7 | Low | 169 Ų | 169 | 71.5 Ų | 71.5 | 74% | 0.741 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | 9.9 | -176.3 | -80.1 | -83.6 | 0 | 0 | 0 | 114.7 | S343 Q349 | S343-F345 PolarHBondContact O-N 3.4Å; S343-F345 VanDerWaalsContact O-N 3.1Å; S343-F345 VanDerWaalsContact OG-C 3.22Å; S343-F345 VanDerWaalsContact OG-CA 3.32Å; S343-F345 WeakPolarHBondContact OG-CA 3.2Å; S343-F345 PolarHBondContact OG-N 2.95Å; F345-Q349 HydrophobicContact CB-CB 4.41Å |
| 346 | G | 69.1 | Low | 65.9 | Low | 25 Ų | 25 | 62.6 Ų | 62.6 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -155.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S343 I348 Q349 | S343-G346 WeakPolarHBondContact CB-O 3.47Å; S343-G346 PolarHBondContact O-N 2.89Å; S343-G346 PolarHBondContact OG-N 3.14Å; S343-G346 PolarHBondContact OG-O 3.2Å; G346-I348 PolarHBondContact O-N 2.85Å; G346-Q349 PolarHBondContact O-N 2.93Å |
| 347 | V | 76.8 | Confident | 68.1 | Low | 75 Ų | 75 | 60.6 Ų | 60.6 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -45.2 | -35.1 | -179.1 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | E85 Q349 A350 V351 | E85-V347 HydrophobicContact CG-CB 4.44Å; E85-V347 HydrophobicContact CG-CG1 4.48Å; E85-V347 HydrophobicContact CG-CG2 3.86Å; E85-V347 WeakPolarHBondContact OE1-CG2 3.27Å; V347-Q349 VanDerWaalsContact C-N 3.34Å; V347-Q349 PolarHBondContact O-N 3.36Å; V347-A350 WeakPolarHBondContact O-CB 3.42Å; V347-A350 PolarHBondContact O-N 2.91Å; V347-V351 HydrophobicContact CG1-CG2 4.29Å; V347-V351 WeakPolarHBondContact O-CG2 3.29Å; V347-V351 PolarHBondContact O-N 3.27Å |
| 348 | I | 81.8 | Confident | 70 | Confident | 130 Ų | 130 | 61.9 Ų | 61.9 | 67% | 0.667 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | -176.8 | -62.9 | 173 | 0 | 0 | 0 | 110.9 | G346 V351 V352 | G346-I348 PolarHBondContact O-N 2.85Å; I348-V351 PolarHBondContact O-N 3.07Å; I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.34Å |
| 349 | Q | 80 | Confident | 72 | Confident | 35 Ų | 35 | 62 Ų | 62 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 178.2 | -170.8 | -175.9 | -43.7 | 0 | 0 | 111.1 | S343 F345 G346 V347 V351 V352 E353 | S343-Q349 WeakPolarHBondContact OG-CB 3.42Å; S343-Q349 PolarHBondContact OG-OE1 3.49Å; F345-Q349 HydrophobicContact CB-CB 4.41Å; G346-Q349 PolarHBondContact O-N 2.93Å; V347-Q349 VanDerWaalsContact C-N 3.34Å; V347-Q349 PolarHBondContact O-N 3.36Å; Q349-V351 VanDerWaalsContact C-N 3.27Å; Q349-V351 PolarHBondContact O-N 2.82Å; Q349-V352 PolarHBondContact O-N 2.99Å; Q349-V352 VanDerWaalsContact O-N 3.12Å; Q349-E353 HydrophobicContact CG-CG 4.4Å; Q349-E353 PolarHBondContact NE2-OE1 3.21Å; Q349-E353 WeakPolarHBondContact O-CB 3.42Å; Q349-E353 WeakPolarHBondContact O-CG 3.22Å; Q349-E353 PolarHBondContact O-N 3.46Å |
| 350 | A | 81.3 | Confident | 74.3 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I81 V347 E353 I354 | I81-A350 HydrophobicContact CG2-CB 3.69Å; V347-A350 WeakPolarHBondContact O-CB 3.42Å; V347-A350 PolarHBondContact O-N 2.91Å; A350-E353 PolarHBondContact O-N 3.25Å; A350-I354 WeakPolarHBondContact O-CD1 3.43Å; A350-I354 WeakPolarHBondContact O-CG1 3.36Å; A350-I354 PolarHBondContact O-N 3.43Å |
| 351 | V | 86.2 | Confident | 76.7 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | V347 I348 Q349 I354 I355 | V347-V351 HydrophobicContact CG1-CG2 4.29Å; V347-V351 WeakPolarHBondContact O-CG2 3.29Å; V347-V351 PolarHBondContact O-N 3.27Å; I348-V351 PolarHBondContact O-N 3.07Å; Q349-V351 VanDerWaalsContact C-N 3.27Å; Q349-V351 PolarHBondContact O-N 2.82Å; V351-I354 PolarHBondContact O-N 2.95Å; V351-I355 HydrophobicContact CG1-CD1 3.78Å; V351-I355 HydrophobicContact CG1-CG1 4.46Å; V351-I355 VanDerWaalsContact O-CG1 3.28Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 3.47Å |
| 352 | V | 85.8 | Confident | 79.3 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | I309 M313 I348 Q349 I354 I355 L356 | I309-V352 HydrophobicContact CG2-CG1 4.48Å; M313-V352 HydrophobicContact CE-CG1 4.05Å; I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.34Å; Q349-V352 PolarHBondContact O-N 2.99Å; Q349-V352 VanDerWaalsContact O-N 3.12Å; V352-I354 PolarHBondContact O-N 2.81Å; V352-I355 PolarHBondContact O-N 2.68Å; V352-L356 HydrophobicContact CG1-CD1 3.77Å; V352-L356 HydrophobicContact CG1-CG 4.26Å; V352-L356 WeakPolarHBondContact O-CB 3.44Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.37Å; V352-L356 PolarHBondContact O-N 3.03Å |
| 353 | E | 86.3 | Confident | 81.3 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.5 | -75.4 | -179.5 | -159.5 | 0 | 0 | 111.1 | I81 Q349 A350 I355 L356 M357 I412 T413 | I81-E353 HydrophobicContact CD1-CB 4.37Å; Q349-E353 HydrophobicContact CG-CG 4.4Å; Q349-E353 PolarHBondContact NE2-OE1 3.21Å; Q349-E353 WeakPolarHBondContact O-CB 3.42Å; Q349-E353 WeakPolarHBondContact O-CG 3.22Å; Q349-E353 PolarHBondContact O-N 3.46Å; A350-E353 PolarHBondContact O-N 3.25Å; E353-I355 PolarHBondContact O-N 3.13Å; E353-L356 PolarHBondContact O-N 3.01Å; E353-M357 VanDerWaalsContact O-CG 3.31Å; E353-M357 WeakPolarHBondContact O-CG 3.44Å; E353-M357 PolarHBondContact O-N 3.46Å; E353-I412 WeakPolarHBondContact CG-O 3.29Å; E353-T413 HydrophobicContact CB-CG2 4.26Å; E353-T413 HydrophobicContact CG-CG2 4.35Å |
| 354 | I | 88.4 | Confident | 83.6 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.8 | -67 | 160.3 | 0 | 0 | 0 | 111.3 | P78 I81 I82 A350 V351 V352 L356 M357 F358 | P78-I354 HydrophobicContact CB-CG1 4.36Å; P78-I354 HydrophobicContact CB-CG2 4.1Å; I81-I354 HydrophobicContact CB-CD1 4.42Å; I81-I354 HydrophobicContact CB-CG1 4.37Å; I81-I354 HydrophobicContact CD1-CG1 4.34Å; I81-I354 HydrophobicContact CG2-CD1 4Å; I81-I354 HydrophobicContact CG2-CG1 4.16Å; I82-I354 HydrophobicContact CD1-CD1 4.04Å; I82-I354 HydrophobicContact CG1-CD1 3.5Å; I82-I354 VanDerWaalsContact CG1-CD1 3.5Å; A350-I354 WeakPolarHBondContact O-CD1 3.43Å; A350-I354 WeakPolarHBondContact O-CG1 3.36Å; A350-I354 PolarHBondContact O-N 3.43Å; V351-I354 PolarHBondContact O-N 2.95Å; V352-I354 PolarHBondContact O-N 2.81Å; I354-L356 VanDerWaalsContact C-N 3.32Å; I354-L356 PolarHBondContact O-N 3.45Å; I354-M357 PolarHBondContact O-N 2.91Å; I354-F358 HydrophobicContact CG2-CD2 3.9Å; I354-F358 HydrophobicContact CG2-CE2 3.64Å; I354-F358 VanDerWaalsContact O-CD2 3.25Å; I354-F358 WeakPolarHBondContact O-CD2 3.35Å; I354-F358 PolarHBondContact O-N 3.41Å; I354-F358 VanDerWaalsContact O-N 3.15Å |
| 355 | I | 90.1 | Very high | 85.6 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 53% | 0.528 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 177.7 | -69.9 | 168.9 | 0 | 0 | 0 | 110.2 | V351 V352 E353 F358 Y359 | V351-I355 HydrophobicContact CG1-CD1 3.78Å; V351-I355 HydrophobicContact CG1-CG1 4.46Å; V351-I355 VanDerWaalsContact O-CG1 3.28Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 3.47Å; V352-I355 PolarHBondContact O-N 2.68Å; E353-I355 PolarHBondContact O-N 3.13Å; I355-F358 PolarHBondContact O-N 3.18Å; I355-Y359 VanDerWaalsContact O-CB 3.23Å; I355-Y359 WeakPolarHBondContact O-CB 3.5Å; I355-Y359 PolarHBondContact O-N 2.95Å |
| 356 | L | 89.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.5 | -72.1 | 173 | 0 | 0 | 0 | 112 | I309 M313 V352 E353 I354 Y359 L360 I412 | I309-L356 HydrophobicContact CG2-CD1 3.94Å; I309-L356 HydrophobicContact CG2-CD2 4.44Å; M313-L356 HydrophobicContact CE-CD1 3.93Å; M313-L356 HydrophobicContact SD-CD1 3.52Å; M313-L356 VanDerWaalsContact SD-CD1 3.52Å; V352-L356 HydrophobicContact CG1-CD1 3.77Å; V352-L356 HydrophobicContact CG1-CG 4.26Å; V352-L356 WeakPolarHBondContact O-CB 3.44Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.37Å; V352-L356 PolarHBondContact O-N 3.03Å; E353-L356 PolarHBondContact O-N 3.01Å; I354-L356 VanDerWaalsContact C-N 3.32Å; I354-L356 PolarHBondContact O-N 3.45Å; L356-Y359 PolarHBondContact O-N 3.25Å; L356-L360 WeakPolarHBondContact O-CB 3.21Å; L356-L360 WeakPolarHBondContact O-CG 3.15Å; L356-L360 PolarHBondContact O-N 2.86Å; L356-I412 HydrophobicContact CB-CG2 4.09Å; L356-I412 HydrophobicContact CD1-CG2 4.05Å |
| 357 | M | 89.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -50.2 | 175.7 | -75.2 | -53.8 | 97.4 | 0 | 0 | 112 | L77 E353 I354 Y359 L360 M361 S407 I412 T413 | L77-M357 HydrophobicContact CD1-SD 4.25Å; E353-M357 VanDerWaalsContact O-CG 3.31Å; E353-M357 WeakPolarHBondContact O-CG 3.44Å; E353-M357 PolarHBondContact O-N 3.46Å; I354-M357 PolarHBondContact O-N 2.91Å; M357-Y359 VanDerWaalsContact C-N 3.33Å; M357-Y359 PolarHBondContact O-N 3.45Å; M357-L360 HydrophobicContact CE-CD1 3.88Å; M357-L360 PolarHBondContact O-N 3.33Å; M357-M361 WeakPolarHBondContact O-CB 3.37Å; M357-M361 PolarHBondContact O-N 2.99Å; M357-S407 VanDerWaalsContact CE-CB 3.48Å; M357-S407 WeakPolarHBondContact CE-OG 3.19Å; M357-S407 WeakPolarHBondContact SD-CB 3.37Å; M357-S407 PolarHBondContact SD-OG 3.35Å; M357-I412 HydrophobicContact CE-CB 4.16Å; M357-I412 HydrophobicContact CE-CG2 3.51Å; M357-T413 HydrophobicContact CE-CG2 3.93Å; M357-T413 HydrophobicContact CG-CG2 4.36Å; M357-T413 HydrophobicContact SD-CG2 4.16Å |
| 358 | F | 90.9 | Very high | 89.1 | Confident | 69 Ų | 69 | 33 Ų | 33 | 30% | 0.303 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.6 | -72.4 | -62.7 | 0 | 0 | 0 | 111.5 | V74 F75 P78 I354 I355 L360 M361 V362 | V74-F358 HydrophobicContact CG1-CD1 4.35Å; V74-F358 HydrophobicContact CG1-CE1 4.12Å; F75-F358 AromaticContact CD1-CE1 3.89Å; F75-F358 HydrophobicContact CD1-CE1 3.89Å; F75-F358 AromaticContact CD1-CZ 3.69Å; F75-F358 HydrophobicContact CD1-CZ 3.69Å; F75-F358 AromaticContact CE1-CE1 3.5Å; F75-F358 HydrophobicContact CE1-CE1 3.5Å; F75-F358 AromaticContact CE1-CZ 3.49Å; F75-F358 HydrophobicContact CE1-CZ 3.49Å; F75-F358 VanDerWaalsContact CE1-CZ 3.49Å; F75-F358 HydrophobicContact CZ-CE1 4.24Å; P78-F358 HydrophobicContact CB-CE2 4.18Å; P78-F358 HydrophobicContact CB-CZ 4.17Å; P78-F358 HydrophobicContact CG-CE2 3.99Å; P78-F358 HydrophobicContact CG-CZ 3.83Å; I354-F358 HydrophobicContact CG2-CD2 3.9Å; I354-F358 HydrophobicContact CG2-CE2 3.64Å; I354-F358 VanDerWaalsContact O-CD2 3.25Å; I354-F358 WeakPolarHBondContact O-CD2 3.35Å; I354-F358 PolarHBondContact O-N 3.41Å; I354-F358 VanDerWaalsContact O-N 3.15Å; I355-F358 PolarHBondContact O-N 3.18Å; F358-L360 PolarHBondContact O-N 3.46Å; F358-M361 PolarHBondContact O-N 2.95Å; F358-V362 VanDerWaalsContact O-CG2 3.31Å; F358-V362 WeakPolarHBondContact O-CG2 3.35Å; F358-V362 PolarHBondContact O-N 2.92Å |
| 359 | Y | 91.5 | Very high | 89.5 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 11% | 0.106 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 178.4 | 176.2 | -110.4 | 0 | 0 | 0 | 112.4 | M212 L303 T307 I355 L356 M357 S363 | M212-Y359 HydrophobicContact CG-CE1 3.91Å; M212-Y359 WeakPolarHBondContact CG-OH 2.95Å; M212-Y359 HydrophobicContact SD-CE1 3.85Å; L303-Y359 HydrophobicContact CD2-CD2 4.47Å; L303-Y359 HydrophobicContact CD2-CE2 3.72Å; T307-Y359 HydrophobicContact CG2-CE1 4.21Å; T307-Y359 WeakPolarHBondContact CG2-OH 3.5Å; I355-Y359 VanDerWaalsContact O-CB 3.23Å; I355-Y359 WeakPolarHBondContact O-CB 3.5Å; I355-Y359 PolarHBondContact O-N 2.95Å; L356-Y359 PolarHBondContact O-N 3.25Å; M357-Y359 VanDerWaalsContact C-N 3.33Å; M357-Y359 PolarHBondContact O-N 3.45Å; Y359-S363 WeakPolarHBondContact O-CB 3.32Å; Y359-S363 PolarHBondContact O-N 3.43Å; Y359-S363 PolarHBondContact O-OG 2.92Å |
| 360 | L | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 176.3 | -68.8 | 167.5 | 0 | 0 | 0 | 110.3 | T208 L356 M357 F358 V362 S363 S364 L403 I412 F440 | T208-L360 HydrophobicContact CG2-CB 4.46Å; T208-L360 HydrophobicContact CG2-CD2 3.65Å; L356-L360 WeakPolarHBondContact O-CB 3.21Å; L356-L360 WeakPolarHBondContact O-CG 3.15Å; L356-L360 PolarHBondContact O-N 2.86Å; M357-L360 HydrophobicContact CE-CD1 3.88Å; M357-L360 PolarHBondContact O-N 3.33Å; F358-L360 PolarHBondContact O-N 3.46Å; L360-V362 PolarHBondContact O-N 2.9Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 WeakPolarHBondContact O-CB 3.45Å; L360-S363 PolarHBondContact O-N 3.37Å; L360-S363 VanDerWaalsContact O-N 3.15Å; L360-S364 WeakPolarHBondContact O-CB 3.41Å; L360-S364 PolarHBondContact O-N 3.44Å; L360-S364 PolarHBondContact O-OG 2.87Å; L360-L403 HydrophobicContact CB-CD1 4.3Å; L360-I412 HydrophobicContact CD1-CD1 3.44Å; L360-I412 VanDerWaalsContact CD1-CD1 3.44Å; L360-F440 HydrophobicContact CD2-CZ 4.34Å |
| 361 | M | 92.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.069 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -51.1 | 179.9 | -177.7 | 55.7 | -172.2 | 0 | 0 | 112.4 | V74 M357 F358 S363 S364 V365 I396 S400 L403 | V74-M361 HydrophobicContact CG1-CG 4.04Å; V74-M361 HydrophobicContact CG2-CE 3.68Å; V74-M361 HydrophobicContact CG2-CG 3.97Å; V74-M361 HydrophobicContact CG2-SD 4Å; M357-M361 WeakPolarHBondContact O-CB 3.37Å; M357-M361 PolarHBondContact O-N 2.99Å; F358-M361 PolarHBondContact O-N 2.95Å; M361-S363 VanDerWaalsContact C-N 3.31Å; M361-S363 PolarHBondContact O-N 2.87Å; M361-S364 PolarHBondContact O-N 3.4Å; M361-V365 HydrophobicContact CE-CG2 3.74Å; M361-V365 WeakPolarHBondContact O-CG2 3.45Å; M361-V365 PolarHBondContact O-N 3.1Å; M361-V365 HydrophobicContact SD-CG2 4.38Å; M361-I396 HydrophobicContact CE-CG2 4.33Å; M361-S400 WeakPolarHBondContact CE-OG 3.48Å; M361-L403 HydrophobicContact CB-CD1 4.34Å; M361-L403 HydrophobicContact CB-CD2 3.81Å; M361-L403 HydrophobicContact CG-CD2 4.22Å; M361-L403 HydrophobicContact SD-CD2 4.1Å |
| 362 | V | 92.3 | Very high | 90 | Very high | 77 Ų | 77 | 37.7 Ų | 37.7 | 47% | 0.467 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 110 | M215 F358 L360 V365 V366 | M215-V362 HydrophobicContact CE-CB 3.72Å; M215-V362 HydrophobicContact CE-CG1 3.34Å; M215-V362 WeakPolarHBondContact CE-O 3.39Å; F358-V362 VanDerWaalsContact O-CG2 3.31Å; F358-V362 WeakPolarHBondContact O-CG2 3.35Å; F358-V362 PolarHBondContact O-N 2.92Å; L360-V362 PolarHBondContact O-N 2.9Å; V362-V365 PolarHBondContact O-N 2.84Å; V362-V366 HydrophobicContact CG1-CG2 4.45Å; V362-V366 WeakPolarHBondContact O-CB 3.42Å; V362-V366 WeakPolarHBondContact O-CG2 3.14Å; V362-V366 PolarHBondContact O-N 2.64Å |
| 363 | S | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | G211 Y359 L360 M361 V365 V366 G367 | G211-S363 WeakPolarHBondContact CA-O 3.31Å; Y359-S363 WeakPolarHBondContact O-CB 3.32Å; Y359-S363 PolarHBondContact O-N 3.43Å; Y359-S363 PolarHBondContact O-OG 2.92Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 WeakPolarHBondContact O-CB 3.45Å; L360-S363 PolarHBondContact O-N 3.37Å; L360-S363 VanDerWaalsContact O-N 3.15Å; M361-S363 VanDerWaalsContact C-N 3.31Å; M361-S363 PolarHBondContact O-N 2.87Å; S363-V365 VanDerWaalsContact C-N 3.34Å; S363-V365 PolarHBondContact O-N 3.33Å; S363-V366 PolarHBondContact O-N 2.99Å; S363-G367 PolarHBondContact O-N 2.82Å |
| 364 | S | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.9 | -52.8 | 0 | 0 | 0 | 0 | 112 | L204 T208 L360 M361 G367 F368 | L204-S364 VanDerWaalsContact CD2-CB 3.45Å; L204-S364 VanDerWaalsContact CD2-OG 3.32Å; L204-S364 WeakPolarHBondContact CD2-OG 3.45Å; T208-S364 PolarHBondContact OG1-OG 2.99Å; L360-S364 WeakPolarHBondContact O-CB 3.41Å; L360-S364 PolarHBondContact O-N 3.44Å; L360-S364 PolarHBondContact O-OG 2.87Å; M361-S364 PolarHBondContact O-N 3.4Å; S364-G367 PolarHBondContact O-N 3.47Å; S364-F368 VanDerWaalsContact O-CB 3.3Å; S364-F368 WeakPolarHBondContact O-CB 3.33Å; S364-F368 PolarHBondContact O-N 3.37Å |
| 365 | V | 92.8 | Very high | 89.5 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | M361 V362 S363 G367 F368 Y369 L399 | M361-V365 HydrophobicContact CE-CG2 3.74Å; M361-V365 WeakPolarHBondContact O-CG2 3.45Å; M361-V365 PolarHBondContact O-N 3.1Å; M361-V365 HydrophobicContact SD-CG2 4.38Å; V362-V365 PolarHBondContact O-N 2.84Å; S363-V365 VanDerWaalsContact C-N 3.34Å; S363-V365 PolarHBondContact O-N 3.33Å; V365-G367 VanDerWaalsContact C-N 3.28Å; V365-G367 PolarHBondContact O-N 3.45Å; V365-F368 PolarHBondContact O-N 3.37Å; V365-Y369 HydrophobicContact CG1-CD2 3.86Å; V365-Y369 HydrophobicContact CG1-CE2 3.57Å; V365-Y369 WeakPolarHBondContact O-CD2 3.3Å; V365-Y369 PolarHBondContact O-N 2.86Å; V365-L399 HydrophobicContact CG2-CD1 4.49Å |
| 366 | V | 91.8 | Very high | 89.1 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | R214 M215 V218 V362 S363 S370 | R214-V366 HydrophobicContact CB-CG1 4.03Å; M215-V366 HydrophobicContact CE-CB 4.18Å; M215-V366 HydrophobicContact CE-CG2 3.73Å; M215-V366 HydrophobicContact SD-CB 4.47Å; M215-V366 HydrophobicContact SD-CG2 4.05Å; V218-V366 HydrophobicContact CG2-CG1 4.2Å; V362-V366 HydrophobicContact CG1-CG2 4.45Å; V362-V366 WeakPolarHBondContact O-CB 3.42Å; V362-V366 WeakPolarHBondContact O-CG2 3.14Å; V362-V366 PolarHBondContact O-N 2.64Å; S363-V366 PolarHBondContact O-N 2.99Å; V366-S370 WeakPolarHBondContact O-CB 3.21Å; V366-S370 PolarHBondContact O-N 3.05Å; V366-S370 PolarHBondContact O-OG 3Å |
| 367 | G | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C207 S363 S364 V365 Y369 S370 L371 | C207-G367 WeakPolarHBondContact O-CA 3.44Å; S363-G367 PolarHBondContact O-N 2.82Å; S364-G367 PolarHBondContact O-N 3.47Å; V365-G367 VanDerWaalsContact C-N 3.28Å; V365-G367 PolarHBondContact O-N 3.45Å; G367-Y369 PolarHBondContact O-N 3.33Å; G367-S370 WeakPolarHBondContact O-CA 3.44Å; G367-S370 WeakPolarHBondContact O-CB 3.28Å; G367-S370 PolarHBondContact O-N 2.89Å; G367-L371 PolarHBondContact O-N 2.85Å |
| 368 | F | 92.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -52.7 | 178.8 | 179.2 | -97.7 | 0 | 0 | 0 | 111.4 | L203 C207 S364 V365 S370 L371 F374 L377 S395 L399 | L203-F368 HydrophobicContact CD1-CD2 4.07Å; L203-F368 HydrophobicContact CD1-CE2 4.18Å; L203-F368 HydrophobicContact CD2-CD2 3.87Å; L203-F368 HydrophobicContact CD2-CE2 3.8Å; L203-F368 HydrophobicContact CG-CD2 4.21Å; L203-F368 HydrophobicContact CG-CE2 4.46Å; C207-F368 HydrophobicContact CB-CB 4.47Å; S364-F368 VanDerWaalsContact O-CB 3.3Å; S364-F368 WeakPolarHBondContact O-CB 3.33Å; S364-F368 PolarHBondContact O-N 3.37Å; V365-F368 PolarHBondContact O-N 3.37Å; F368-S370 PolarHBondContact O-N 3.4Å; F368-L371 PolarHBondContact O-N 3.16Å; F368-F374 HydrophobicContact CD1-CB 4.36Å; F368-F374 AromaticContact CD2-CD2 3.87Å; F368-F374 HydrophobicContact CD2-CD2 3.87Å; F368-F374 HydrophobicContact CD2-CE2 4.23Å; F368-F374 HydrophobicContact CD2-CG 4.2Å; F368-F374 HydrophobicContact CE1-CB 3.89Å; F368-F374 HydrophobicContact CE1-CD1 4.31Å; F368-F374 HydrophobicContact CE1-CG 4.06Å; F368-F374 HydrophobicContact CE2-CB 4.17Å; F368-F374 AromaticContact CE2-CD1 3.75Å; F368-F374 HydrophobicContact CE2-CD1 3.75Å; F368-F374 AromaticContact CE2-CD2 3.43Å; F368-F374 HydrophobicContact CE2-CD2 3.43Å; F368-F374 VanDerWaalsContact CE2-CD2 3.43Å; F368-F374 AromaticContact CE2-CE1 3.91Å; F368-F374 HydrophobicContact CE2-CE1 3.91Å; F368-F374 AromaticContact CE2-CE2 3.63Å; F368-F374 HydrophobicContact CE2-CE2 3.63Å; F368-F374 AromaticContact CE2-CG 3.5Å; F368-F374 HydrophobicContact CE2-CG 3.5Å; F368-F374 AromaticContact CE2-CZ 3.86Å; F368-F374 HydrophobicContact CE2-CZ 3.86Å; F368-F374 HydrophobicContact CZ-CB 3.78Å; F368-F374 AromaticContact CZ-CD1 3.42Å; F368-F374 HydrophobicContact CZ-CD1 3.42Å; F368-F374 VanDerWaalsContact CZ-CD1 3.42Å; F368-F374 AromaticContact CZ-CD2 3.88Å; F368-F374 HydrophobicContact CZ-CD2 3.88Å; F368-F374 AromaticContact CZ-CE1 3.9Å; F368-F374 HydrophobicContact CZ-CE1 3.9Å; F368-F374 HydrophobicContact CZ-CE2 4.32Å; F368-F374 AromaticContact CZ-CG 3.4Å; F368-F374 HydrophobicContact CZ-CG 3.4Å; F368-F374 VanDerWaalsContact CZ-CG 3.4Å; F368-F374 HydrophobicContact CZ-CZ 4.32Å; F368-L377 HydrophobicContact CE1-CD1 4.37Å; F368-L377 HydrophobicContact CZ-CD1 4.32Å; F368-S395 VanDerWaalsContact CE1-CB 3.44Å; F368-S395 WeakPolarHBondContact CE1-OG 3.32Å; F368-S395 WeakPolarHBondContact CZ-OG 3.31Å; F368-L399 HydrophobicContact CB-CD1 4Å; F368-L399 HydrophobicContact CD1-CD1 4.44Å; F368-L399 HydrophobicContact CD2-CD1 4.2Å; F368-L399 HydrophobicContact CG-CD1 3.95Å |
| 369 | Y | 89.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -13.7 | 177.2 | -64.9 | -60.7 | 0 | 0 | 0 | 113.9 | V365 G367 L377 C392 | V365-Y369 HydrophobicContact CG1-CD2 3.86Å; V365-Y369 HydrophobicContact CG1-CE2 3.57Å; V365-Y369 WeakPolarHBondContact O-CD2 3.3Å; V365-Y369 PolarHBondContact O-N 2.86Å; G367-Y369 PolarHBondContact O-N 3.33Å; Y369-L377 HydrophobicContact CE1-CB 4.3Å; Y369-L377 VanDerWaalsContact CE1-O 3.32Å; Y369-L377 WeakPolarHBondContact CE1-O 3.47Å; Y369-C392 PolarHBondContact OH-SG 3.3Å; Y369-C392 VanDerWaalsContact OH-SG 3.38Å |
| 370 | S | 87.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -86.3 | -12.3 | 174.7 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | R214 V366 G367 F368 | R214-S370 PolarHBondContact NE-OG 2.93Å; V366-S370 WeakPolarHBondContact O-CB 3.21Å; V366-S370 PolarHBondContact O-N 3.05Å; V366-S370 PolarHBondContact O-OG 3Å; G367-S370 WeakPolarHBondContact O-CA 3.44Å; G367-S370 WeakPolarHBondContact O-CB 3.28Å; G367-S370 PolarHBondContact O-N 2.89Å; F368-S370 PolarHBondContact O-N 3.4Å |
| 371 | L | 87.1 | Confident | 87.7 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -76.2 | 135.7 | 177.6 | -67.2 | 177.7 | 0 | 0 | 0 | 110.3 | C207 G367 F368 V373 F374 E375 | C207-L371 WeakPolarHBondContact SG-CD1 3.18Å; G367-L371 PolarHBondContact O-N 2.85Å; F368-L371 PolarHBondContact O-N 3.16Å; L371-V373 PolarHBondContact O-N 2.91Å; L371-F374 HydrophobicContact CB-CD2 4.14Å; L371-F374 HydrophobicContact CD1-CD2 4.08Å; L371-F374 HydrophobicContact CD1-CE2 4.34Å; L371-F374 CarbonylContact O-C 3.56Å; L371-F374 PolarHBondContact O-N 2.74Å; L371-E375 PolarHBondContact O-N 3.35Å |
| 372 | R | 83.7 | Confident | 87.2 | Confident | 232 Ų | 232 | 65.6 Ų | 65.6 | 88% | 0.875 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32.7 | 179.6 | -70 | -178 | 177.3 | 174.3 | -2 | 113.7 | F374 | R372-F374 VanDerWaalsContact C-N 3.31Š|
| 373 | V | 84.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 65.3 Ų | 65.3 | 74% | 0.739 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.7 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | L371 | L371-V373 PolarHBondContact O-N 2.91Š|
| 374 | F | 85 | Confident | 86.6 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 25% | 0.25 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 6.7 | -173.3 | -57.4 | -66.7 | 0 | 0 | 0 | 113.4 | L203 F368 L371 R372 G376 L377 | L203-F374 HydrophobicContact CD1-CE2 3.82Å; L203-F374 HydrophobicContact CD1-CZ 4.35Å; F368-F374 HydrophobicContact CD1-CB 4.36Å; F368-F374 AromaticContact CD2-CD2 3.87Å; F368-F374 HydrophobicContact CD2-CD2 3.87Å; F368-F374 HydrophobicContact CD2-CE2 4.23Å; F368-F374 HydrophobicContact CD2-CG 4.2Å; F368-F374 HydrophobicContact CE1-CB 3.89Å; F368-F374 HydrophobicContact CE1-CD1 4.31Å; F368-F374 HydrophobicContact CE1-CG 4.06Å; F368-F374 HydrophobicContact CE2-CB 4.17Å; F368-F374 AromaticContact CE2-CD1 3.75Å; F368-F374 HydrophobicContact CE2-CD1 3.75Å; F368-F374 AromaticContact CE2-CD2 3.43Å; F368-F374 HydrophobicContact CE2-CD2 3.43Å; F368-F374 VanDerWaalsContact CE2-CD2 3.43Å; F368-F374 AromaticContact CE2-CE1 3.91Å; F368-F374 HydrophobicContact CE2-CE1 3.91Å; F368-F374 AromaticContact CE2-CE2 3.63Å; F368-F374 HydrophobicContact CE2-CE2 3.63Å; F368-F374 AromaticContact CE2-CG 3.5Å; F368-F374 HydrophobicContact CE2-CG 3.5Å; F368-F374 AromaticContact CE2-CZ 3.86Å; F368-F374 HydrophobicContact CE2-CZ 3.86Å; F368-F374 HydrophobicContact CZ-CB 3.78Å; F368-F374 AromaticContact CZ-CD1 3.42Å; F368-F374 HydrophobicContact CZ-CD1 3.42Å; F368-F374 VanDerWaalsContact CZ-CD1 3.42Å; F368-F374 AromaticContact CZ-CD2 3.88Å; F368-F374 HydrophobicContact CZ-CD2 3.88Å; F368-F374 AromaticContact CZ-CE1 3.9Å; F368-F374 HydrophobicContact CZ-CE1 3.9Å; F368-F374 HydrophobicContact CZ-CE2 4.32Å; F368-F374 AromaticContact CZ-CG 3.4Å; F368-F374 HydrophobicContact CZ-CG 3.4Å; F368-F374 VanDerWaalsContact CZ-CG 3.4Å; F368-F374 HydrophobicContact CZ-CZ 4.32Å; L371-F374 HydrophobicContact CB-CD2 4.14Å; L371-F374 HydrophobicContact CD1-CD2 4.08Å; L371-F374 HydrophobicContact CD1-CE2 4.34Å; L371-F374 CarbonylContact O-C 3.56Å; L371-F374 PolarHBondContact O-N 2.74Å; R372-F374 VanDerWaalsContact C-N 3.31Å; F374-G376 PolarHBondContact O-N 3.13Å; F374-L377 HydrophobicContact CD1-CD1 4.01Å; F374-L377 WeakPolarHBondContact O-CB 3.44Å; F374-L377 PolarHBondContact O-N 3.37Å |
| 375 | E | 81.3 | Confident | 86.5 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -58 | -36.4 | 178.2 | -174.3 | 171.2 | -173.9 | 0 | 0 | 111.7 | L371 L377 T378 | L371-E375 PolarHBondContact O-N 3.35Å; E375-L377 PolarHBondContact O-N 3.3Å; E375-T378 VanDerWaalsContact O-CB 3.29Å; E375-T378 WeakPolarHBondContact O-CB 3.3Å; E375-T378 PolarHBondContact O-N 2.74Å; E375-T378 VanDerWaalsContact O-N 3.08Å; E375-T378 PolarHBondContact O-OG1 3.37Å |
| 376 | G | 81.3 | Confident | 86.3 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -66.6 | -14.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | F374 | F374-G376 PolarHBondContact O-N 3.13Š|
| 377 | L | 84.5 | Confident | 86.3 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -90.2 | 0.9 | 174 | -65.7 | 176.4 | 0 | 0 | 0 | 112.8 | F368 Y369 F374 E375 P379 T388 C392 | F368-L377 HydrophobicContact CE1-CD1 4.37Å; F368-L377 HydrophobicContact CZ-CD1 4.32Å; Y369-L377 HydrophobicContact CE1-CB 4.3Å; Y369-L377 VanDerWaalsContact CE1-O 3.32Å; Y369-L377 WeakPolarHBondContact CE1-O 3.47Å; F374-L377 HydrophobicContact CD1-CD1 4.01Å; F374-L377 WeakPolarHBondContact O-CB 3.44Å; F374-L377 PolarHBondContact O-N 3.37Å; E375-L377 PolarHBondContact O-N 3.3Å; L377-P379 WeakPolarHBondContact O-CD 3.5Å; L377-T388 HydrophobicContact CD2-CG2 4.3Å; L377-C392 PolarHBondContact O-SG 3.14Å |
| 378 | T | 85.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 119.1 | -176.3 | -56.1 | 0 | 0 | 0 | 0 | 111 | E375 R380 | E375-T378 VanDerWaalsContact O-CB 3.29Å; E375-T378 WeakPolarHBondContact O-CB 3.3Å; E375-T378 PolarHBondContact O-N 2.74Å; E375-T378 VanDerWaalsContact O-N 3.08Å; E375-T378 PolarHBondContact O-OG1 3.37Å; T378-R380 PolarHBondContact O-N 2.91Å |
| 379 | P | 84.1 | Confident | 86.3 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 121.9 | -177.2 | 27.8 | -33.8 | 0 | 0 | 0 | 111 | Y41 L377 T384 | Y41-P379 HydrophobicContact CD1-CB 3.84Å; Y41-P379 HydrophobicContact CE1-CB 4.27Å; Y41-P379 HydrophobicContact CG-CB 4.32Å; L377-P379 WeakPolarHBondContact O-CD 3.5Å; P379-T384 VanDerWaalsContact CA-CG2 3.49Å; P379-T384 HydrophobicContact CB-CG2 3.95Å |
| 380 | R | 84.8 | Confident | 86.5 | Confident | 172 Ų | 172 | 69.6 Ų | 69.6 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -102.4 | 132.7 | 174.5 | -165.4 | 177.4 | -170.7 | -165.9 | 8.3 | 110.6 | T378 D382 D383 T384 | T378-R380 PolarHBondContact O-N 2.91Å; R380-D382 PolarHBondContact O-N 3.5Å; R380-D383 HydrophobicContact CB-CB 4.22Å; R380-D383 HydrophobicContact CG-CB 4.23Å; R380-D383 IonicContact NH1-OD2 3.68Å; R380-D383 PolarHBondContact NH1-OD2 2.73Å; R380-D383 PolarHBondContact O-N 3.35Å; R380-T384 WeakPolarHBondContact O-CG2 3.48Å |
| 381 | K | 83.5 | Confident | 86.8 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 128.9 | -177.6 | -167.8 | -167.5 | 170 | -166.5 | 0 | 110.7 | D383 | K381-D383 PolarHBondContact O-N 3.47Š|
| 382 | D | 82.1 | Confident | 87.1 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 40% | 0.401 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 14.3 | 179.2 | -54.4 | -59.3 | 0 | 0 | 0 | 115.4 | Y41 R43 R380 | Y41-D382 WeakPolarHBondContact O-CA 3.37Å; Y41-D382 PolarHBondContact O-N 2.95Å; Y41-D382 VanDerWaalsContact O-N 3.15Å; R43-D382 WeakPolarHBondContact CA-O 3.21Å; R380-D382 PolarHBondContact O-N 3.5Å |
| 383 | D | 84.8 | Confident | 87.6 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 12.4 | -172.8 | -164.3 | 29.4 | 0 | 0 | 0 | 113.2 | Y41 R380 K381 | Y41-D383 PolarHBondContact O-N 3.04Å; R380-D383 HydrophobicContact CB-CB 4.22Å; R380-D383 HydrophobicContact CG-CB 4.23Å; R380-D383 IonicContact NH1-OD2 3.68Å; R380-D383 PolarHBondContact NH1-OD2 2.73Å; R380-D383 PolarHBondContact O-N 3.35Å; K381-D383 PolarHBondContact O-N 3.47Å |
| 384 | T | 87.3 | Confident | 88 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 132.4 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | Y41 K42 R43 P379 R380 | Y41-T384 PolarHBondContact O-N 2.77Å; Y41-T384 PolarHBondContact O-OG1 3.47Å; K42-T384 WeakPolarHBondContact CA-OG1 3.36Å; K42-T384 PolarHBondContact N-OG1 3.32Å; R43-T384 VanDerWaalsContact CB-O 3.28Å; R43-T384 WeakPolarHBondContact CB-O 3.19Å; R43-T384 PolarHBondContact N-O 3.32Å; P379-T384 VanDerWaalsContact CA-CG2 3.49Å; P379-T384 HydrophobicContact CB-CG2 3.95Å; R380-T384 WeakPolarHBondContact O-CG2 3.48Å |
| 385 | T | 90.6 | Very high | 88.4 | Confident | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | trans | -73.7 | 158.1 | 169.2 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | T387 T388 I389 | T385-T387 VanDerWaalsContact C-N 3.29Å; T385-T387 PolarHBondContact O-N 2.78Å; T385-T387 PolarHBondContact OG1-OG1 3.42Å; T385-T387 VanDerWaalsContact OG1-OG1 3.12Å; T385-T388 PolarHBondContact O-N 2.9Å; T385-T388 PolarHBondContact OG1-N 3.25Å; T385-T388 PolarHBondContact OG1-OG1 3.48Å; T385-I389 WeakPolarHBondContact O-CG1 2.84Å; T385-I389 PolarHBondContact O-N 2.96Å | ||
| 386 | M | 89.9 | Confident | 89 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 178.5 | -73 | -59.1 | -68.2 | 0 | 0 | 113.2 | K42 N56 L60 L130 I389 I390 | K42-M386 HydrophobicContact CD-SD 3.76Å; K42-M386 HydrophobicContact CG-SD 4.31Å; N56-M386 WeakPolarHBondContact OD1-CG 2.74Å; N56-M386 PolarHBondContact OD1-SD 2.97Å; L60-M386 HydrophobicContact CB-CE 3.81Å; L60-M386 VanDerWaalsContact N-CE 3.34Å; L130-M386 HydrophobicContact CD1-CB 3.66Å; L130-M386 HydrophobicContact CD2-CB 4.2Å; M386-I389 WeakPolarHBondContact O-CB 3.4Å; M386-I389 PolarHBondContact O-N 2.95Å; M386-I389 HydrophobicContact SD-CD1 3.87Å; M386-I390 WeakPolarHBondContact O-CG1 3.27Å; M386-I390 PolarHBondContact O-N 2.86Å |
| 387 | T | 90.8 | Very high | 89.6 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.3 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | L130 T385 I390 G391 | L130-T387 HydrophobicContact CD1-CG2 4.43Å; T385-T387 VanDerWaalsContact C-N 3.29Å; T385-T387 PolarHBondContact O-N 2.78Å; T385-T387 PolarHBondContact OG1-OG1 3.42Å; T385-T387 VanDerWaalsContact OG1-OG1 3.12Å; T387-I390 PolarHBondContact O-N 2.93Å; T387-G391 PolarHBondContact O-N 3.18Å |
| 388 | T | 91.8 | Very high | 89.9 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 173 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | L377 T385 G391 C392 | L377-T388 HydrophobicContact CD2-CG2 4.3Å; T385-T388 PolarHBondContact O-N 2.9Å; T385-T388 PolarHBondContact OG1-N 3.25Å; T385-T388 PolarHBondContact OG1-OG1 3.48Å; T388-G391 PolarHBondContact O-N 3.49Å; T388-C392 PolarHBondContact O-N 2.81Å; T388-C392 PolarHBondContact O-SG 3.27Å |
| 389 | I | 93.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.8 | -66.9 | 166.7 | 0 | 0 | 0 | 110.9 | I38 K42 C63 T385 M386 C392 C393 | I38-I389 HydrophobicContact CG1-CG2 4.33Å; I38-I389 HydrophobicContact CG2-CD1 4.36Å; I38-I389 HydrophobicContact CG2-CG2 4.06Å; K42-I389 HydrophobicContact CB-CD1 3.81Å; K42-I389 HydrophobicContact CG-CD1 4.2Å; C63-I389 HydrophobicContact CB-CG2 4Å; T385-I389 WeakPolarHBondContact O-CG1 2.84Å; T385-I389 PolarHBondContact O-N 2.96Å; M386-I389 WeakPolarHBondContact O-CB 3.4Å; M386-I389 PolarHBondContact O-N 2.95Å; M386-I389 HydrophobicContact SD-CD1 3.87Å; I389-C392 PolarHBondContact O-N 3.46Å; I389-C393 WeakPolarHBondContact O-CB 3.36Å; I389-C393 PolarHBondContact O-N 2.95Å; I389-C393 PolarHBondContact O-SG 3.47Å |
| 390 | I | 93.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 174.1 | -70.9 | 171.1 | 0 | 0 | 0 | 109.8 | C63 M123 A126 L130 M386 T387 C392 C393 V394 | C63-I390 WeakPolarHBondContact SG-CG1 3.23Å; M123-I390 HydrophobicContact CE-CB 4.13Å; M123-I390 HydrophobicContact CE-CG1 4.47Å; M123-I390 HydrophobicContact CE-CG2 3.71Å; M123-I390 WeakPolarHBondContact CE-O 2.96Å; A126-I390 HydrophobicContact CB-CD1 3.85Å; A126-I390 HydrophobicContact CB-CG1 4.33Å; L130-I390 HydrophobicContact CD1-CD1 3.35Å; M386-I390 WeakPolarHBondContact O-CG1 3.27Å; M386-I390 PolarHBondContact O-N 2.86Å; T387-I390 PolarHBondContact O-N 2.93Å; I390-C392 VanDerWaalsContact C-N 3.34Å; I390-C392 PolarHBondContact O-N 2.85Å; I390-C393 PolarHBondContact O-N 3.41Å; I390-C393 VanDerWaalsContact O-N 3.15Å; I390-V394 WeakPolarHBondContact O-CG2 3.41Å; I390-V394 PolarHBondContact O-N 3.39Å |
| 391 | G | 92.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 29.6 Ų | 29.6 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.5 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T387 T388 C393 V394 S395 | T387-G391 PolarHBondContact O-N 3.18Å; T388-G391 PolarHBondContact O-N 3.49Å; G391-C393 PolarHBondContact O-N 2.81Å; G391-V394 PolarHBondContact O-N 3.34Å; G391-S395 WeakPolarHBondContact O-CB 3.4Å; G391-S395 PolarHBondContact O-N 2.78Å; G391-S395 PolarHBondContact O-OG 2.92Å |
| 392 | C | 93.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 8% | 0.081 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | Y369 L377 T388 I389 I390 S395 I396 | Y369-C392 PolarHBondContact OH-SG 3.3Å; Y369-C392 VanDerWaalsContact OH-SG 3.38Å; L377-C392 PolarHBondContact O-SG 3.14Å; T388-C392 PolarHBondContact O-N 2.81Å; T388-C392 PolarHBondContact O-SG 3.27Å; I389-C392 PolarHBondContact O-N 3.46Å; I390-C392 VanDerWaalsContact C-N 3.34Å; I390-C392 PolarHBondContact O-N 2.85Å; C392-S395 PolarHBondContact O-N 3.34Å; C392-I396 WeakPolarHBondContact O-CB 3.36Å; C392-I396 VanDerWaalsContact O-CG1 3.23Å; C392-I396 WeakPolarHBondContact O-CG1 3.33Å; C392-I396 PolarHBondContact O-N 2.83Å |
| 393 | C | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | -179.4 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | T66 M123 I389 I390 G391 L397 | T66-C393 HydrophobicContact CG2-CB 4.04Å; M123-C393 HydrophobicContact CE-CB 3.41Å; M123-C393 VanDerWaalsContact CE-CB 3.41Å; I389-C393 WeakPolarHBondContact O-CB 3.36Å; I389-C393 PolarHBondContact O-N 2.95Å; I389-C393 PolarHBondContact O-SG 3.47Å; I390-C393 PolarHBondContact O-N 3.41Å; I390-C393 VanDerWaalsContact O-N 3.15Å; G391-C393 PolarHBondContact O-N 2.81Å; C393-L397 VanDerWaalsContact O-CB 3.24Å; C393-L397 WeakPolarHBondContact O-CB 3.28Å; C393-L397 PolarHBondContact O-N 2.91Å |
| 394 | V | 93.4 | Very high | 90.6 | Very high | 47 Ų | 47 | 17.8 Ų | 17.8 | 29% | 0.285 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | M123 I390 G391 I396 L397 V398 | M123-V394 HydrophobicContact CB-CG2 3.63Å; M123-V394 HydrophobicContact CE-CG2 3.57Å; M123-V394 HydrophobicContact CG-CG2 3.8Å; I390-V394 WeakPolarHBondContact O-CG2 3.41Å; I390-V394 PolarHBondContact O-N 3.39Å; G391-V394 PolarHBondContact O-N 3.34Å; V394-I396 PolarHBondContact O-N 3.47Å; V394-L397 PolarHBondContact O-N 2.9Å; V394-V398 HydrophobicContact CG1-CG2 4.4Å; V394-V398 WeakPolarHBondContact O-CG2 3.31Å; V394-V398 PolarHBondContact O-N 2.97Å |
| 395 | S | 92.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 17.8 Ų | 17.8 | 12% | 0.119 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | F368 G391 C392 L397 V398 L399 | F368-S395 VanDerWaalsContact CE1-CB 3.44Å; F368-S395 WeakPolarHBondContact CE1-OG 3.32Å; F368-S395 WeakPolarHBondContact CZ-OG 3.31Å; G391-S395 WeakPolarHBondContact O-CB 3.4Å; G391-S395 PolarHBondContact O-N 2.78Å; G391-S395 PolarHBondContact O-OG 2.92Å; C392-S395 PolarHBondContact O-N 3.34Å; S395-L397 VanDerWaalsContact C-N 3.32Å; S395-L397 PolarHBondContact O-N 3.38Å; S395-V398 PolarHBondContact O-N 3.47Å; S395-L399 WeakPolarHBondContact O-CB 3.4Å; S395-L399 WeakPolarHBondContact O-CD1 3.41Å; S395-L399 WeakPolarHBondContact O-CG 3.38Å; S395-L399 PolarHBondContact O-N 2.85Å |
| 396 | I | 93.8 | Very high | 90 | Very high | 34 Ų | 34 | 14.9 Ų | 14.9 | 17% | 0.174 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.6 | -67.3 | 168 | 0 | 0 | 0 | 110.4 | L67 M361 C392 V394 L399 S400 | L67-I396 HydrophobicContact CD1-CD1 4.08Å; L67-I396 HydrophobicContact CD1-CG2 4.16Å; M361-I396 HydrophobicContact CE-CG2 4.33Å; C392-I396 WeakPolarHBondContact O-CB 3.36Å; C392-I396 VanDerWaalsContact O-CG1 3.23Å; C392-I396 WeakPolarHBondContact O-CG1 3.33Å; C392-I396 PolarHBondContact O-N 2.83Å; V394-I396 PolarHBondContact O-N 3.47Å; I396-L399 PolarHBondContact O-N 3.4Å; I396-S400 VanDerWaalsContact O-CB 3.23Å; I396-S400 WeakPolarHBondContact O-CB 3.26Å; I396-S400 PolarHBondContact O-N 3.3Å; I396-S400 PolarHBondContact O-OG 3.34Å |
| 397 | L | 93.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 176.2 | -176.5 | 67.5 | 0 | 0 | 0 | 111.8 | T66 V69 S70 C118 L119 C393 V394 S395 S400 S401 | T66-L397 HydrophobicContact CG2-CB 4.34Å; T66-L397 HydrophobicContact CG2-CD2 4.03Å; V69-L397 HydrophobicContact CG1-CD1 4.15Å; S70-L397 WeakPolarHBondContact OG-CA 3.04Å; S70-L397 VanDerWaalsContact OG-CB 3.29Å; S70-L397 WeakPolarHBondContact OG-CB 3.3Å; S70-L397 VanDerWaalsContact OG-CD1 3.29Å; S70-L397 WeakPolarHBondContact OG-CD1 3.49Å; S70-L397 PolarHBondContact OG-N 3.25Å; C118-L397 HydrophobicContact CB-CD2 3.7Å; L119-L397 HydrophobicContact CB-CD2 4.09Å; C393-L397 VanDerWaalsContact O-CB 3.24Å; C393-L397 WeakPolarHBondContact O-CB 3.28Å; C393-L397 PolarHBondContact O-N 2.91Å; V394-L397 PolarHBondContact O-N 2.9Å; S395-L397 VanDerWaalsContact C-N 3.32Å; S395-L397 PolarHBondContact O-N 3.38Å; L397-S400 PolarHBondContact O-N 3.07Å; L397-S401 WeakPolarHBondContact O-CB 3.35Å; L397-S401 PolarHBondContact O-N 3.21Å; L397-S401 PolarHBondContact O-OG 2.86Å |
| 398 | V | 90.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 12.5 Ų | 12.5 | 13% | 0.127 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | L119 I196 V394 S395 S401 A402 | L119-V398 HydrophobicContact CD1-CG2 3.94Å; I196-V398 HydrophobicContact CG2-CG2 4.47Å; V394-V398 HydrophobicContact CG1-CG2 4.4Å; V394-V398 WeakPolarHBondContact O-CG2 3.31Å; V394-V398 PolarHBondContact O-N 2.97Å; S395-V398 PolarHBondContact O-N 3.47Å; V398-S401 PolarHBondContact O-OG 3.36Å; V398-S401 VanDerWaalsContact O-OG 3.13Å; V398-A402 WeakPolarHBondContact O-CB 3.44Å; V398-A402 PolarHBondContact O-N 2.88Å |
| 399 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 175.3 | -70.4 | 162.2 | 0 | 0 | 0 | 111.2 | L203 L204 V365 F368 S395 I396 L403 | L203-L399 HydrophobicContact CD2-CD2 3.96Å; L203-L399 HydrophobicContact CD2-CG 4.35Å; L203-L399 HydrophobicContact CG-CD2 4.21Å; L204-L399 HydrophobicContact CD2-CB 4.31Å; L204-L399 HydrophobicContact CD2-CD2 3.45Å; L204-L399 VanDerWaalsContact CD2-CD2 3.45Å; L204-L399 HydrophobicContact CD2-CG 4.5Å; L204-L399 HydrophobicContact CG-CD2 3.99Å; V365-L399 HydrophobicContact CG2-CD1 4.49Å; F368-L399 HydrophobicContact CB-CD1 4Å; F368-L399 HydrophobicContact CD1-CD1 4.44Å; F368-L399 HydrophobicContact CD2-CD1 4.2Å; F368-L399 HydrophobicContact CG-CD1 3.95Å; S395-L399 WeakPolarHBondContact O-CB 3.4Å; S395-L399 WeakPolarHBondContact O-CD1 3.41Å; S395-L399 WeakPolarHBondContact O-CG 3.38Å; S395-L399 PolarHBondContact O-N 2.85Å; I396-L399 PolarHBondContact O-N 3.4Å; L399-L403 PolarHBondContact O-N 3.26Å; L399-L403 VanDerWaalsContact O-N 3.14Å |
| 400 | S | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.2 | -37.9 | -178 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | V74 M361 I396 L397 P404 | V74-S400 WeakPolarHBondContact CG2-OG 3.37Å; M361-S400 WeakPolarHBondContact CE-OG 3.48Å; I396-S400 VanDerWaalsContact O-CB 3.23Å; I396-S400 WeakPolarHBondContact O-CB 3.26Å; I396-S400 PolarHBondContact O-N 3.3Å; I396-S400 PolarHBondContact O-OG 3.34Å; L397-S400 PolarHBondContact O-N 3.07Å; S400-P404 WeakPolarHBondContact O-CD 3.4Å |
| 401 | S | 86.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 11.6 Ų | 11.6 | 11% | 0.112 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.7 | -30.2 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 113 | L397 V398 P404 | L397-S401 WeakPolarHBondContact O-CB 3.35Å; L397-S401 PolarHBondContact O-N 3.21Å; L397-S401 PolarHBondContact O-OG 2.86Å; V398-S401 PolarHBondContact O-OG 3.36Å; V398-S401 VanDerWaalsContact O-OG 3.13Å; S401-P404 WeakPolarHBondContact O-CD 3.32Å |
| 402 | A | 86.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -84 | -16.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G200 L204 V398 V405 M406 | G200-A402 VanDerWaalsContact C-CB 3.49Å; L204-A402 VanDerWaalsContact CD1-C 3.42Å; L204-A402 HydrophobicContact CD1-CB 3.53Å; L204-A402 HydrophobicContact CG-CB 4.42Å; V398-A402 WeakPolarHBondContact O-CB 3.44Å; V398-A402 PolarHBondContact O-N 2.88Å; A402-V405 PolarHBondContact O-N 3.38Å; A402-M406 WeakPolarHBondContact O-CB 3.46Å; A402-M406 PolarHBondContact O-N 2.92Å |
| 403 | L | 85.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | -177.8 | -176.6 | 76.8 | 0 | 0 | 0 | 113.2 | L360 M361 L399 V405 M406 S407 | L360-L403 HydrophobicContact CB-CD1 4.3Å; M361-L403 HydrophobicContact CB-CD1 4.34Å; M361-L403 HydrophobicContact CB-CD2 3.81Å; M361-L403 HydrophobicContact CG-CD2 4.22Å; M361-L403 HydrophobicContact SD-CD2 4.1Å; L399-L403 PolarHBondContact O-N 3.26Å; L399-L403 VanDerWaalsContact O-N 3.14Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 2.81Å; L403-M406 PolarHBondContact O-N 3.24Å; L403-S407 WeakPolarHBondContact O-CB 3.42Å; L403-S407 PolarHBondContact O-N 2.88Å |
| 404 | P | 80.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 17.7 Ų | 17.7 | 5% | 0.052 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.8 | -25.4 | 36.2 | 0 | 0 | 0 | 113.7 | L77 W108 S400 S401 S407 R408 L418 | L77-P404 VanDerWaalsContact CD1-CA 3.49Å; L77-P404 HydrophobicContact CD1-CB 3.52Å; L77-P404 HydrophobicContact CD1-CG 3.85Å; L77-P404 HydrophobicContact CG-CB 4.06Å; L77-P404 HydrophobicContact CG-CG 4.18Å; W108-P404 HydrophobicContact CH2-CB 3.76Å; W108-P404 HydrophobicContact CH2-CG 3.75Å; W108-P404 HydrophobicContact CZ3-CB 4.45Å; W108-P404 HydrophobicContact CZ3-CG 4.35Å; S400-P404 WeakPolarHBondContact O-CD 3.4Å; S401-P404 WeakPolarHBondContact O-CD 3.32Å; P404-S407 PolarHBondContact O-N 3.46Å; P404-R408 WeakPolarHBondContact O-CB 3.39Å; P404-R408 PolarHBondContact O-N 3.39Å; P404-R408 VanDerWaalsContact O-N 3.13Å; P404-L418 HydrophobicContact CB-CD1 4.12Å |
| 405 | V | 78.5 | Confident | 82.8 | Confident | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.03 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 177.6 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | A402 L403 S407 R408 T409 L418 F424 W426 L427 | A402-V405 PolarHBondContact O-N 3.38Å; L403-V405 VanDerWaalsContact C-N 3.32Å; L403-V405 PolarHBondContact O-N 2.81Å; V405-S407 PolarHBondContact O-N 3.44Å; V405-R408 PolarHBondContact O-N 3.39Å; V405-T409 HydrophobicContact CG1-CG2 4.33Å; V405-T409 VanDerWaalsContact O-CG2 3.31Å; V405-T409 WeakPolarHBondContact O-CG2 3.49Å; V405-T409 PolarHBondContact O-N 2.77Å; V405-T409 PolarHBondContact O-OG1 3.2Å; V405-L418 HydrophobicContact CG2-CD2 3.92Å; V405-F424 HydrophobicContact CG1-CD2 4.5Å; V405-F424 HydrophobicContact CG2-CD2 4.39Å; V405-F424 HydrophobicContact CG2-CE2 3.65Å; V405-F424 HydrophobicContact CG2-CZ 4.27Å; V405-W426 HydrophobicContact CG1-CZ2 3.87Å; V405-L427 HydrophobicContact CG1-CD1 3.91Å |
| 406 | M | 85.1 | Confident | 81 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59 | -47 | 176 | 177.4 | -168.3 | -179 | 0 | 0 | 112.3 | L204 T208 A402 L403 R408 T409 L410 Y436 F440 | L204-M406 HydrophobicContact CB-SD 3.58Å; L204-M406 VanDerWaalsContact CB-SD 3.58Å; L204-M406 HydrophobicContact CD1-CB 3.91Å; L204-M406 HydrophobicContact CD1-CG 4.46Å; L204-M406 HydrophobicContact CD1-SD 3.83Å; L204-M406 HydrophobicContact CD2-SD 4.29Å; L204-M406 HydrophobicContact CG-SD 4.12Å; T208-M406 HydrophobicContact CG2-CE 4.01Å; A402-M406 WeakPolarHBondContact O-CB 3.46Å; A402-M406 PolarHBondContact O-N 2.92Å; L403-M406 PolarHBondContact O-N 3.24Å; M406-R408 VanDerWaalsContact C-N 3.28Å; M406-R408 PolarHBondContact O-N 3.45Å; M406-T409 WeakPolarHBondContact CA-OG1 3.42Å; M406-T409 PolarHBondContact O-N 3.3Å; M406-T409 PolarHBondContact O-OG1 3.36Å; M406-L410 HydrophobicContact CE-CD1 3.48Å; M406-L410 VanDerWaalsContact CE-CD1 3.48Å; M406-L410 HydrophobicContact CG-CD1 3.88Å; M406-L410 HydrophobicContact CG-CG 4.27Å; M406-L410 VanDerWaalsContact O-CB 3.32Å; M406-L410 WeakPolarHBondContact O-CB 3.43Å; M406-L410 VanDerWaalsContact O-CG 3.31Å; M406-L410 WeakPolarHBondContact O-CG 3.48Å; M406-L410 PolarHBondContact O-N 2.96Å; M406-L410 HydrophobicContact SD-CD1 4.49Å; M406-Y436 HydrophobicContact CG-CE1 4.42Å; M406-Y436 WeakPolarHBondContact CG-OH 3.3Å; M406-F440 HydrophobicContact CE-CD2 3.97Å; M406-F440 HydrophobicContact CE-CE2 3.44Å; M406-F440 VanDerWaalsContact CE-CE2 3.44Å; M406-F440 HydrophobicContact CE-CZ 4.22Å |
| 407 | S | 83.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 180 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | M357 L403 P404 V405 G411 I412 T413 | M357-S407 VanDerWaalsContact CE-CB 3.48Å; M357-S407 WeakPolarHBondContact CE-OG 3.19Å; M357-S407 WeakPolarHBondContact SD-CB 3.37Å; M357-S407 PolarHBondContact SD-OG 3.35Å; L403-S407 WeakPolarHBondContact O-CB 3.42Å; L403-S407 PolarHBondContact O-N 2.88Å; P404-S407 PolarHBondContact O-N 3.46Å; V405-S407 PolarHBondContact O-N 3.44Å; S407-G411 PolarHBondContact O-N 3.04Å; S407-I412 PolarHBondContact O-N 3.46Å; S407-T413 WeakPolarHBondContact OG-CB 3.31Å; S407-T413 WeakPolarHBondContact OG-CG2 3.46Å; S407-T413 PolarHBondContact OG-OG1 2.97Å |
| 408 | R | 79.5 | Confident | 77.1 | Confident | 27 Ų | 27 | 16.3 Ų | 16.3 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.6 | -45.6 | 177.2 | -176.5 | -174.8 | 176 | 90.8 | -9.3 | 111.6 | P329 P404 V405 M406 L410 G411 D416 | P329-R408 HydrophobicContact CB-CG 4.02Å; P329-R408 PolarHBondContact O-NE 3.19Å; P329-R408 PolarHBondContact O-NH2 3.21Å; P329-R408 VanDerWaalsContact O-NH2 3.12Å; P404-R408 WeakPolarHBondContact O-CB 3.39Å; P404-R408 PolarHBondContact O-N 3.39Å; P404-R408 VanDerWaalsContact O-N 3.13Å; V405-R408 PolarHBondContact O-N 3.39Å; M406-R408 VanDerWaalsContact C-N 3.28Å; M406-R408 PolarHBondContact O-N 3.45Å; R408-L410 VanDerWaalsContact C-N 3.28Å; R408-L410 PolarHBondContact O-N 3.29Å; R408-G411 PolarHBondContact O-N 2.92Å; R408-D416 VanDerWaalsContact CZ-CG 3.43Å; R408-D416 IonicContact CZ-OD1 3.22Å; R408-D416 VanDerWaalsContact CZ-OD1 3.22Å; R408-D416 IonicContact CZ-OD2 3.49Å; R408-D416 IonicContact NH1-OD1 2.92Å; R408-D416 PolarHBondContact NH1-OD1 2.68Å; R408-D416 IonicContact NH1-OD2 3.38Å; R408-D416 PolarHBondContact NH1-OD2 2.97Å; R408-D416 IonicContact NH2-OD1 3.24Å; R408-D416 PolarHBondContact NH2-OD1 3.2Å; R408-D416 IonicContact NH2-OD2 2.81Å; R408-D416 PolarHBondContact NH2-OD2 3.44Å |
| 409 | T | 81.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | N317 V405 M406 G411 W426 L427 N437 | N317-T409 PolarHBondContact ND2-O 2.88Å; V405-T409 HydrophobicContact CG1-CG2 4.33Å; V405-T409 VanDerWaalsContact O-CG2 3.31Å; V405-T409 WeakPolarHBondContact O-CG2 3.49Å; V405-T409 PolarHBondContact O-N 2.77Å; V405-T409 PolarHBondContact O-OG1 3.2Å; M406-T409 WeakPolarHBondContact CA-OG1 3.42Å; M406-T409 PolarHBondContact O-N 3.3Å; M406-T409 PolarHBondContact O-OG1 3.36Å; T409-G411 PolarHBondContact O-N 3.33Å; T409-W426 HydrophobicContact CG2-CH2 4.12Å; T409-L427 HydrophobicContact CG2-CD1 3.64Å; T409-L427 HydrophobicContact CG2-CD2 4.37Å; T409-L427 HydrophobicContact CG2-CG 4.02Å; T409-N437 PolarHBondContact O-ND2 2.93Å; T409-N437 PolarHBondContact O-OD1 2.79Å |
| 410 | L | 82.8 | Confident | 73 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10 | 174.8 | -70.9 | -176.4 | 0 | 0 | 0 | 114.3 | V314 N317 M406 R408 I412 Y436 N437 F440 | V314-L410 HydrophobicContact CG1-CD2 4.21Å; V314-L410 HydrophobicContact CG2-CB 3.9Å; V314-L410 HydrophobicContact CG2-CD1 4.34Å; V314-L410 HydrophobicContact CG2-CD2 3.86Å; V314-L410 HydrophobicContact CG2-CG 4.24Å; N317-L410 WeakPolarHBondContact CB-O 3.39Å; N317-L410 VanDerWaalsContact ND2-C 3.3Å; N317-L410 PolarHBondContact ND2-O 3.48Å; M406-L410 HydrophobicContact CE-CD1 3.48Å; M406-L410 VanDerWaalsContact CE-CD1 3.48Å; M406-L410 HydrophobicContact CG-CD1 3.88Å; M406-L410 HydrophobicContact CG-CG 4.27Å; M406-L410 VanDerWaalsContact O-CB 3.32Å; M406-L410 WeakPolarHBondContact O-CB 3.43Å; M406-L410 VanDerWaalsContact O-CG 3.31Å; M406-L410 WeakPolarHBondContact O-CG 3.48Å; M406-L410 PolarHBondContact O-N 2.96Å; M406-L410 HydrophobicContact SD-CD1 4.49Å; R408-L410 VanDerWaalsContact C-N 3.28Å; R408-L410 PolarHBondContact O-N 3.29Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 HydrophobicContact CB-CD1 3.92Å; L410-I412 HydrophobicContact CB-CG1 3.87Å; L410-I412 HydrophobicContact CD1-CD1 3.99Å; L410-I412 PolarHBondContact O-N 2.93Å; L410-Y436 HydrophobicContact CD2-CD1 4.06Å; L410-Y436 HydrophobicContact CD2-CE1 3.9Å; L410-Y436 HydrophobicContact CG-CE1 4.17Å; L410-N437 VanDerWaalsContact CA-OD1 3.31Å; L410-N437 WeakPolarHBondContact CA-OD1 3.29Å; L410-F440 HydrophobicContact CD1-CD1 4.13Å; L410-F440 HydrophobicContact CD1-CD2 4.02Å; L410-F440 HydrophobicContact CD1-CE1 4.01Å; L410-F440 HydrophobicContact CD1-CE2 3.89Å; L410-F440 HydrophobicContact CD1-CG 4.13Å; L410-F440 HydrophobicContact CD1-CZ 3.87Å; L410-F440 HydrophobicContact CD2-CB 3.78Å; L410-F440 HydrophobicContact CD2-CD1 3.87Å; L410-F440 HydrophobicContact CD2-CD2 4.25Å; L410-F440 HydrophobicContact CD2-CG 3.7Å |
| 411 | G | 77.3 | Confident | 70.8 | Confident | 26 Ų | 26 | 26.1 Ų | 26.1 | 27% | 0.268 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 19.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N317 S407 R408 T409 | N317-G411 PolarHBondContact ND2-N 3.35Å; S407-G411 PolarHBondContact O-N 3.04Å; R408-G411 PolarHBondContact O-N 2.92Å; T409-G411 PolarHBondContact O-N 3.33Å |
| 412 | I | 78.9 | Confident | 69.1 | Low | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -77.6 | -37.9 | -179.2 | -61.2 | 178.8 | 0 | 0 | 0 | 110.3 | M313 E353 L356 M357 L360 S407 L410 | M313-I412 HydrophobicContact SD-CG2 4.22Å; E353-I412 WeakPolarHBondContact CG-O 3.29Å; L356-I412 HydrophobicContact CB-CG2 4.09Å; L356-I412 HydrophobicContact CD1-CG2 4.05Å; M357-I412 HydrophobicContact CE-CB 4.16Å; M357-I412 HydrophobicContact CE-CG2 3.51Å; L360-I412 HydrophobicContact CD1-CD1 3.44Å; L360-I412 VanDerWaalsContact CD1-CD1 3.44Å; S407-I412 PolarHBondContact O-N 3.46Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 HydrophobicContact CB-CD1 3.92Å; L410-I412 HydrophobicContact CB-CG1 3.87Å; L410-I412 HydrophobicContact CD1-CD1 3.99Å; L410-I412 PolarHBondContact O-N 2.93Å |
| 413 | T | 73.6 | Confident | 67.4 | Low | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -118.6 | 132.9 | 175 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | I81 E353 M357 S407 F415 | I81-T413 HydrophobicContact CD1-CG2 4.36Å; E353-T413 HydrophobicContact CB-CG2 4.26Å; E353-T413 HydrophobicContact CG-CG2 4.35Å; M357-T413 HydrophobicContact CE-CG2 3.93Å; M357-T413 HydrophobicContact CG-CG2 4.36Å; M357-T413 HydrophobicContact SD-CG2 4.16Å; S407-T413 WeakPolarHBondContact OG-CB 3.31Å; S407-T413 WeakPolarHBondContact OG-CG2 3.46Å; S407-T413 PolarHBondContact OG-OG1 2.97Å; T413-F415 VanDerWaalsContact C-N 3.35Å | ||
| 414 | R | 64.5 | Low | 66.2 | Low | 152 Ų | 152 | 36.9 Ų | 36.9 | 57% | 0.574 | 18% | 0.182 | S | C | * | . | trans | -88.7 | -4.5 | 171.6 | -66.4 | -163.9 | 176.5 | -161.3 | -1.8 | 113.7 | L342 D416 | L342-R414 HydrophobicContact CD2-CB 4.1Å; L342-R414 WeakPolarHBondContact CD2-O 3.24Å; R414-D416 PolarHBondContact O-N 2.99Å | ||
| 415 | F | 60.9 | Low | 65.2 | Low | 15 Ų | 15 | 43.9 Ų | 43.9 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | trans | -66.1 | 122.7 | -176.9 | -152.8 | -76.7 | 0 | 0 | 0 | 111.1 | I81 I337 L342 T413 L417 | I81-F415 HydrophobicContact CG1-CD2 4.3Å; I81-F415 HydrophobicContact CG1-CG 4.49Å; I337-F415 HydrophobicContact CG1-CZ 4.22Å; L342-F415 HydrophobicContact CD1-CE2 4.5Å; T413-F415 VanDerWaalsContact C-N 3.35Å; F415-L417 HydrophobicContact CD1-CB 4.13Å; F415-L417 HydrophobicContact CD1-CD1 3.74Å; F415-L417 HydrophobicContact CD1-CG 4.07Å; F415-L417 HydrophobicContact CE1-CB 4.04Å; F415-L417 HydrophobicContact CE1-CD1 3.09Å; F415-L417 HydrophobicContact CE1-CG 3.48Å; F415-L417 VanDerWaalsContact CE1-CG 3.48Å; F415-L417 HydrophobicContact CZ-CD1 3.94Å | ||
| 416 | D | 55.7 | Low | 64.5 | Low | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | trans | -111.6 | 73.2 | -177.3 | -162.6 | 6 | 0 | 0 | 0 | 111.8 | G331 S332 R408 R414 L418 G419 | G331-D416 WeakPolarHBondContact CA-OD2 3.26Å; S332-D416 PolarHBondContact N-OD2 3.06Å; R408-D416 VanDerWaalsContact CZ-CG 3.43Å; R408-D416 IonicContact CZ-OD1 3.22Å; R408-D416 VanDerWaalsContact CZ-OD1 3.22Å; R408-D416 IonicContact CZ-OD2 3.49Å; R408-D416 IonicContact NH1-OD1 2.92Å; R408-D416 PolarHBondContact NH1-OD1 2.68Å; R408-D416 IonicContact NH1-OD2 3.38Å; R408-D416 PolarHBondContact NH1-OD2 2.97Å; R408-D416 IonicContact NH2-OD1 3.24Å; R408-D416 PolarHBondContact NH2-OD1 3.2Å; R408-D416 IonicContact NH2-OD2 2.81Å; R408-D416 PolarHBondContact NH2-OD2 3.44Å; R414-D416 PolarHBondContact O-N 2.99Å; D416-L418 VanDerWaalsContact C-N 3.32Å; D416-G419 PolarHBondContact OD1-N 3.34Å | ||
| 417 | L | 53.6 | Low | 63.5 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | trans | -88 | -6.3 | 166.5 | -104.5 | 152.1 | 0 | 0 | 0 | 112.7 | S80 I104 W108 I337 F415 G419 | S80-L417 VanDerWaalsContact CB-CD1 3.43Å; S80-L417 VanDerWaalsContact OG-CD1 3.3Å; S80-L417 WeakPolarHBondContact OG-CD1 3.48Å; I104-L417 HydrophobicContact CG2-CD1 3.38Å; I104-L417 HydrophobicContact CG2-CD2 3.84Å; I104-L417 HydrophobicContact CG2-CG 4.27Å; W108-L417 HydrophobicContact CG-CD2 4.49Å; W108-L417 HydrophobicContact CZ2-CB 4.46Å; I337-L417 HydrophobicContact CD1-CD2 4.44Å; F415-L417 HydrophobicContact CD1-CB 4.13Å; F415-L417 HydrophobicContact CD1-CD1 3.74Å; F415-L417 HydrophobicContact CD1-CG 4.07Å; F415-L417 HydrophobicContact CE1-CB 4.04Å; F415-L417 HydrophobicContact CE1-CD1 3.09Å; F415-L417 HydrophobicContact CE1-CG 3.48Å; F415-L417 VanDerWaalsContact CE1-CG 3.48Å; F415-L417 HydrophobicContact CZ-CD1 3.94Å; L417-G419 VanDerWaalsContact C-N 3.27Å; L417-G419 PolarHBondContact O-N 3.49Å | ||
| 418 | L | 52.4 | Low | 62.6 | Low | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | trans | -82.7 | 0.3 | 178.6 | -87.6 | 107 | 0 | 0 | 0 | 112.7 | W108 P404 V405 D416 D420 F421 G422 F424 | W108-L418 HydrophobicContact CH2-CD1 4.38Å; P404-L418 HydrophobicContact CB-CD1 4.12Å; V405-L418 HydrophobicContact CG2-CD2 3.92Å; D416-L418 VanDerWaalsContact C-N 3.32Å; L418-D420 PolarHBondContact O-N 3.24Å; L418-F421 PolarHBondContact O-N 2.88Å; L418-G422 VanDerWaalsContact O-CA 3.26Å; L418-G422 WeakPolarHBondContact O-CA 3.31Å; L418-G422 PolarHBondContact O-N 2.85Å; L418-F424 HydrophobicContact CD2-CE2 3.91Å | ||
| 419 | G | 50 | Low | 62.5 | Low | 31 Ų | 31 | 49 Ų | 49 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -32.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D416 L417 | D416-G419 PolarHBondContact OD1-N 3.34Å; L417-G419 VanDerWaalsContact C-N 3.27Å; L417-G419 PolarHBondContact O-N 3.49Å |
| 420 | D | 45.3 | Very low | 62.5 | Low | 118 Ų | 118 | 50.8 Ų | 50.8 | 63% | 0.631 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -26.3 | 174.7 | -80.4 | -27.2 | 0 | 0 | 0 | 114.7 | L418 | L418-D420 PolarHBondContact O-N 3.24Š|
| 421 | F | 45.1 | Very low | 62.5 | Low | 78 Ų | 78 | 59.2 Ų | 59.2 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -9.1 | -174 | -65.6 | -77.7 | 0 | 0 | 0 | 114.2 | N109 L418 | N109-F421 WeakPolarHBondContact OD1-CE2 3.48Å; N109-F421 WeakPolarHBondContact OD1-CZ 3.49Å; L418-F421 PolarHBondContact O-N 2.88Å |
| 422 | G | 49.2 | Very low | 62.7 | Low | 20 Ų | 20 | 61 Ų | 61 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | trans | -109.5 | 27.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L418 F424 | L418-G422 VanDerWaalsContact O-CA 3.26Å; L418-G422 WeakPolarHBondContact O-CA 3.31Å; L418-G422 PolarHBondContact O-N 2.85Å; G422-F424 PolarHBondContact O-N 3.49Å | ||
| 423 | R | 51.7 | Low | 62.9 | Low | 214 Ų | 214 | 60.9 Ų | 60.9 | 81% | 0.808 | 30% | 0.299 | S | S | * | . | trans | -68.8 | 46.3 | 161.2 | -69.7 | -170.5 | 179.9 | 172.7 | 2.2 | 111.1 | N425 | R423-N425 PolarHBondContact O-N 3.49Å; R423-N425 VanDerWaalsContact O-N 3.16Å | ||
| 424 | F | 61.6 | Low | 63.5 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | trans | -73 | 106.7 | 169.4 | -65.2 | -60.6 | 0 | 0 | 0 | 106.9 | Y193 V405 L418 G422 W426 L427 | Y193-F424 HydrophobicContact CD1-CE1 4.01Å; Y193-F424 HydrophobicContact CD1-CZ 4.23Å; Y193-F424 AromaticContact CE1-CE1 3.99Å; Y193-F424 HydrophobicContact CE1-CE1 3.99Å; Y193-F424 AromaticContact CE1-CZ 3.72Å; Y193-F424 HydrophobicContact CE1-CZ 3.72Å; V405-F424 HydrophobicContact CG1-CD2 4.5Å; V405-F424 HydrophobicContact CG2-CD2 4.39Å; V405-F424 HydrophobicContact CG2-CE2 3.65Å; V405-F424 HydrophobicContact CG2-CZ 4.27Å; L418-F424 HydrophobicContact CD2-CE2 3.91Å; G422-F424 PolarHBondContact O-N 3.49Å; F424-W426 AromaticContact CG-NE1 3.91Å; F424-W426 PolarHBondContact O-N 2.85Å; F424-L427 HydrophobicContact CB-CB 4.35Å; F424-L427 HydrophobicContact CB-CD1 4.38Å; F424-L427 PolarHBondContact O-N 3.29Å | ||
| 425 | N | 58.4 | Low | 64.6 | Low | 154 Ų | 154 | 58.3 Ų | 58.3 | 82% | 0.824 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -52.2 | -27.1 | -179.4 | -75.9 | -11 | 0 | 0 | 0 | 113 | R423 G428 | R423-N425 PolarHBondContact O-N 3.49Å; R423-N425 VanDerWaalsContact O-N 3.16Å; N425-G428 PolarHBondContact O-N 3.4Å |
| 426 | W | 64.1 | Low | 65.9 | Low | 26 Ų | 26 | 58 Ų | 58 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -73.4 | -27.5 | 177.4 | 76.7 | -85 | 0 | 0 | 0 | 114.5 | L198 V405 T409 F424 G428 N429 I432 | L198-W426 HydrophobicContact CD1-CG 4.39Å; V405-W426 HydrophobicContact CG1-CZ2 3.87Å; T409-W426 HydrophobicContact CG2-CH2 4.12Å; F424-W426 AromaticContact CG-NE1 3.91Å; F424-W426 PolarHBondContact O-N 2.85Å; W426-G428 PolarHBondContact O-N 2.85Å; W426-N429 PolarHBondContact O-N 3.31Å; W426-I432 HydrophobicContact CB-CD1 4.18Å; W426-I432 HydrophobicContact CE3-CG2 3.53Å; W426-I432 HydrophobicContact CZ3-CG2 4.01Å |
| 427 | L | 64 | Low | 67.5 | Low | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -69.8 | -19.1 | 176.7 | -113.3 | 73.1 | 0 | 0 | 0 | 112.5 | P329 V405 T409 F424 N429 | P329-L427 HydrophobicContact CB-CD2 4.33Å; P329-L427 HydrophobicContact CG-CD2 4.24Å; P329-L427 HydrophobicContact CG-CG 4.2Å; V405-L427 HydrophobicContact CG1-CD1 3.91Å; T409-L427 HydrophobicContact CG2-CD1 3.64Å; T409-L427 HydrophobicContact CG2-CD2 4.37Å; T409-L427 HydrophobicContact CG2-CG 4.02Å; F424-L427 HydrophobicContact CB-CB 4.35Å; F424-L427 HydrophobicContact CB-CD1 4.38Å; F424-L427 PolarHBondContact O-N 3.29Å; L427-N429 VanDerWaalsContact C-N 3.32Å |
| 428 | G | 65.3 | Low | 69.3 | Low | 42 Ų | 42 | 60.5 Ų | 60.5 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -79.8 | -11.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | N425 W426 | N425-G428 PolarHBondContact O-N 3.4Å; W426-G428 PolarHBondContact O-N 2.85Å |
| 429 | N | 77.3 | Confident | 71.1 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -94.7 | 111.7 | -179 | -171.9 | -19.4 | 0 | 0 | 0 | 111.2 | W426 L427 Y431 I432 V433 | W426-N429 PolarHBondContact O-N 3.31Å; L427-N429 VanDerWaalsContact C-N 3.32Å; N429-Y431 VanDerWaalsContact C-N 3.3Å; N429-Y431 PolarHBondContact O-N 2.87Å; N429-Y431 PolarHBondContact OD1-N 2.87Å; N429-I432 HydrophobicContact CB-CB 4.32Å; N429-I432 HydrophobicContact CB-CD1 3.82Å; N429-I432 HydrophobicContact CB-CG1 3.93Å; N429-I432 PolarHBondContact O-N 2.96Å; N429-I432 VanDerWaalsContact O-N 3.16Å; N429-V433 PolarHBondContact O-N 2.92Å; N429-V433 VanDerWaalsContact O-N 3.16Å | ||
| 430 | F | 80.4 | Confident | 73.1 | Confident | 38 Ų | 38 | 62 Ų | 62 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -49.8 | -46.8 | 178.2 | 176.7 | -103 | 0 | 0 | 0 | 113.3 | L321 M328 I432 V433 L434 | L321-F430 HydrophobicContact CB-CE2 4.11Å; L321-F430 VanDerWaalsContact O-CE2 3.26Å; L321-F430 WeakPolarHBondContact O-CE2 3Å; M328-F430 HydrophobicContact SD-CB 4.07Å; F430-I432 VanDerWaalsContact C-N 3.33Å; F430-I432 PolarHBondContact O-N 3.48Å; F430-V433 PolarHBondContact O-N 3.26Å; F430-L434 HydrophobicContact CE1-CD2 3.81Å; F430-L434 HydrophobicContact CZ-CB 4.5Å; F430-L434 HydrophobicContact CZ-CD2 3.94Å; F430-L434 VanDerWaalsContact O-CB 3.27Å; F430-L434 WeakPolarHBondContact O-CB 3.3Å; F430-L434 PolarHBondContact O-N 3.17Å |
| 431 | Y | 82.6 | Confident | 75.3 | Confident | 177 Ų | 177 | 57 Ų | 57 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.5 | -34.7 | -176 | -65.9 | -76.9 | 0 | 0 | 0 | 112.6 | N429 S435 | N429-Y431 VanDerWaalsContact C-N 3.3Å; N429-Y431 PolarHBondContact O-N 2.87Å; N429-Y431 PolarHBondContact OD1-N 2.87Å; Y431-S435 WeakPolarHBondContact O-CB 3.41Å; Y431-S435 PolarHBondContact O-N 3.5Å; Y431-S435 PolarHBondContact O-OG 3.46Å |
| 432 | I | 82 | Confident | 77.4 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 32% | 0.323 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.4 | -45.7 | 178.7 | -55.8 | 177.5 | 0 | 0 | 0 | 109.7 | W426 N429 F430 S435 Y436 | W426-I432 HydrophobicContact CB-CD1 4.18Å; W426-I432 HydrophobicContact CE3-CG2 3.53Å; W426-I432 HydrophobicContact CZ3-CG2 4.01Å; N429-I432 HydrophobicContact CB-CB 4.32Å; N429-I432 HydrophobicContact CB-CD1 3.82Å; N429-I432 HydrophobicContact CB-CG1 3.93Å; N429-I432 PolarHBondContact O-N 2.96Å; N429-I432 VanDerWaalsContact O-N 3.16Å; F430-I432 VanDerWaalsContact C-N 3.33Å; F430-I432 PolarHBondContact O-N 3.48Å; I432-S435 WeakPolarHBondContact CA-OG 3.34Å; I432-S435 PolarHBondContact O-N 3.48Å; I432-S435 PolarHBondContact O-OG 3.27Å; I432-Y436 VanDerWaalsContact O-CB 3.3Å; I432-Y436 WeakPolarHBondContact O-CB 3.47Å; I432-Y436 PolarHBondContact O-N 3.24Å |
| 433 | V | 82.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 111 | L321 P329 N429 F430 Y436 N437 | L321-V433 HydrophobicContact CD1-CG1 3.91Å; P329-V433 HydrophobicContact CG-CG1 4.48Å; P329-V433 HydrophobicContact CG-CG2 4.39Å; N429-V433 PolarHBondContact O-N 2.92Å; N429-V433 VanDerWaalsContact O-N 3.16Å; F430-V433 PolarHBondContact O-N 3.26Å; V433-Y436 PolarHBondContact O-N 2.91Å; V433-N437 PolarHBondContact O-N 3.07Å; V433-N437 PolarHBondContact O-ND2 3.31Å |
| 434 | L | 86.9 | Confident | 81.2 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 178.3 | -176.6 | 69.2 | 0 | 0 | 0 | 111.7 | I318 F430 Y436 N437 L438 | I318-L434 HydrophobicContact CG2-CD1 4Å; F430-L434 HydrophobicContact CE1-CD2 3.81Å; F430-L434 HydrophobicContact CZ-CB 4.5Å; F430-L434 HydrophobicContact CZ-CD2 3.94Å; F430-L434 VanDerWaalsContact O-CB 3.27Å; F430-L434 WeakPolarHBondContact O-CB 3.3Å; F430-L434 PolarHBondContact O-N 3.17Å; L434-Y436 VanDerWaalsContact C-N 3.34Å; L434-Y436 PolarHBondContact O-N 2.92Å; L434-N437 PolarHBondContact O-N 3.42Å; L434-L438 VanDerWaalsContact O-CB 3.31Å; L434-L438 WeakPolarHBondContact O-CB 3.21Å; L434-L438 PolarHBondContact O-N 3.37Å |
| 435 | S | 87.3 | Confident | 82.5 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 46% | 0.462 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 179 | 59 | 0 | 0 | 0 | 0 | 112.4 | Y431 I432 L438 L439 | Y431-S435 WeakPolarHBondContact O-CB 3.41Å; Y431-S435 PolarHBondContact O-N 3.5Å; Y431-S435 PolarHBondContact O-OG 3.46Å; I432-S435 WeakPolarHBondContact CA-OG 3.34Å; I432-S435 PolarHBondContact O-N 3.48Å; I432-S435 PolarHBondContact O-OG 3.27Å; S435-L438 PolarHBondContact O-N 2.86Å; S435-L439 WeakPolarHBondContact O-CB 3.32Å; S435-L439 PolarHBondContact O-N 3.45Å |
| 436 | Y | 88.3 | Confident | 83.9 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 174.2 | -172.2 | -83.5 | 0 | 0 | 0 | 111.7 | G201 L205 M406 L410 I432 V433 L434 L439 F440 | G201-Y436 WeakPolarHBondContact O-CE2 3.28Å; G201-Y436 PolarHBondContact O-OH 3.23Å; L205-Y436 HydrophobicContact CB-CE2 3.75Å; L205-Y436 HydrophobicContact CD1-CD1 4.23Å; L205-Y436 HydrophobicContact CD1-CD2 4.32Å; L205-Y436 HydrophobicContact CD1-CE1 3.98Å; L205-Y436 HydrophobicContact CD1-CE2 4.08Å; L205-Y436 HydrophobicContact CD1-CG 4.37Å; L205-Y436 WeakPolarHBondContact CD1-O 3.37Å; L205-Y436 HydrophobicContact CD2-CD2 3.68Å; L205-Y436 HydrophobicContact CD2-CE2 3.72Å; L205-Y436 HydrophobicContact CD2-CG 4.31Å; L205-Y436 HydrophobicContact CG-CD2 4.42Å; L205-Y436 HydrophobicContact CG-CE2 4.08Å; M406-Y436 HydrophobicContact CG-CE1 4.42Å; M406-Y436 WeakPolarHBondContact CG-OH 3.3Å; L410-Y436 HydrophobicContact CD2-CD1 4.06Å; L410-Y436 HydrophobicContact CD2-CE1 3.9Å; L410-Y436 HydrophobicContact CG-CE1 4.17Å; I432-Y436 VanDerWaalsContact O-CB 3.3Å; I432-Y436 WeakPolarHBondContact O-CB 3.47Å; I432-Y436 PolarHBondContact O-N 3.24Å; V433-Y436 PolarHBondContact O-N 2.91Å; L434-Y436 VanDerWaalsContact C-N 3.34Å; L434-Y436 PolarHBondContact O-N 2.92Å; Y436-L439 PolarHBondContact O-N 3.43Å; Y436-F440 WeakPolarHBondContact O-CB 3.32Å; Y436-F440 PolarHBondContact O-N 2.86Å |
| 437 | N | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179.1 | -82 | -93.4 | 0 | 0 | 0 | 111.9 | V314 N317 I318 T409 L410 V433 L434 F440 A441 | V314-N437 HydrophobicContact CG1-CB 4.2Å; N317-N437 PolarHBondContact ND2-OD1 3.35Å; I318-N437 HydrophobicContact CD1-CB 4.05Å; I318-N437 HydrophobicContact CG1-CB 3.61Å; T409-N437 PolarHBondContact O-ND2 2.93Å; T409-N437 PolarHBondContact O-OD1 2.79Å; L410-N437 VanDerWaalsContact CA-OD1 3.31Å; L410-N437 WeakPolarHBondContact CA-OD1 3.29Å; V433-N437 PolarHBondContact O-N 3.07Å; V433-N437 PolarHBondContact O-ND2 3.31Å; L434-N437 PolarHBondContact O-N 3.42Å; N437-F440 PolarHBondContact O-N 2.92Å; N437-A441 WeakPolarHBondContact O-CB 3.26Å; N437-A441 PolarHBondContact O-N 3.03Å |
| 438 | L | 90.5 | Very high | 86 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 178.9 | -175.1 | 68.5 | 0 | 0 | 0 | 111 | L434 S435 F440 A441 V442 | L434-L438 VanDerWaalsContact O-CB 3.31Å; L434-L438 WeakPolarHBondContact O-CB 3.21Å; L434-L438 PolarHBondContact O-N 3.37Å; S435-L438 PolarHBondContact O-N 2.86Å; L438-F440 PolarHBondContact O-N 3.17Å; L438-A441 PolarHBondContact O-N 3.47Å; L438-V442 HydrophobicContact CD1-CG2 4.37Å; L438-V442 HydrophobicContact CG-CG2 4.42Å; L438-V442 WeakPolarHBondContact O-CB 3.41Å; L438-V442 VanDerWaalsContact O-CG2 3.24Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.04Å |
| 439 | L | 91.2 | Very high | 87 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.1 | -173.2 | 61 | 0 | 0 | 0 | 110.9 | L205 S435 Y436 A441 V442 V443 | L205-L439 HydrophobicContact CD2-CB 4.4Å; L205-L439 HydrophobicContact CD2-CD2 3.63Å; L205-L439 HydrophobicContact CD2-CG 4.22Å; L205-L439 HydrophobicContact CG-CD2 4.33Å; S435-L439 WeakPolarHBondContact O-CB 3.32Å; S435-L439 PolarHBondContact O-N 3.45Å; Y436-L439 PolarHBondContact O-N 3.43Å; L439-A441 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.12Å; L439-V443 HydrophobicContact CD1-CG2 3.82Å; L439-V443 HydrophobicContact CG-CG2 4.2Å; L439-V443 WeakPolarHBondContact O-CB 3.42Å; L439-V443 WeakPolarHBondContact O-CG2 3.1Å; L439-V443 PolarHBondContact O-N 3.4Å |
| 440 | F | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 175.8 | -176.4 | -92.9 | 0 | 0 | 0 | 111.8 | L205 T208 P209 M212 V314 L360 M406 L410 Y436 N437 L438 T444 | L205-F440 HydrophobicContact CD1-CB 3.52Å; L205-F440 HydrophobicContact CD1-CD2 4.01Å; L205-F440 HydrophobicContact CD1-CG 4.27Å; T208-F440 HydrophobicContact CG2-CE2 4.2Å; P209-F440 HydrophobicContact CG-CD2 4.08Å; P209-F440 HydrophobicContact CG-CE2 4.12Å; M212-F440 HydrophobicContact CE-CE1 4.24Å; M212-F440 HydrophobicContact CE-CE2 4.12Å; M212-F440 HydrophobicContact CE-CZ 3.54Å; V314-F440 HydrophobicContact CB-CD1 4.41Å; V314-F440 HydrophobicContact CG1-CD1 4.19Å; V314-F440 HydrophobicContact CG2-CD1 3.88Å; V314-F440 HydrophobicContact CG2-CE1 3.97Å; L360-F440 HydrophobicContact CD2-CZ 4.34Å; M406-F440 HydrophobicContact CE-CD2 3.97Å; M406-F440 HydrophobicContact CE-CE2 3.44Å; M406-F440 VanDerWaalsContact CE-CE2 3.44Å; M406-F440 HydrophobicContact CE-CZ 4.22Å; L410-F440 HydrophobicContact CD1-CD1 4.13Å; L410-F440 HydrophobicContact CD1-CD2 4.02Å; L410-F440 HydrophobicContact CD1-CE1 4.01Å; L410-F440 HydrophobicContact CD1-CE2 3.89Å; L410-F440 HydrophobicContact CD1-CG 4.13Å; L410-F440 HydrophobicContact CD1-CZ 3.87Å; L410-F440 HydrophobicContact CD2-CB 3.78Å; L410-F440 HydrophobicContact CD2-CD1 3.87Å; L410-F440 HydrophobicContact CD2-CD2 4.25Å; L410-F440 HydrophobicContact CD2-CG 3.7Å; Y436-F440 WeakPolarHBondContact O-CB 3.32Å; Y436-F440 PolarHBondContact O-N 2.86Å; N437-F440 PolarHBondContact O-N 2.92Å; L438-F440 PolarHBondContact O-N 3.17Å; F440-T444 WeakPolarHBondContact O-CB 3.28Å; F440-T444 PolarHBondContact O-N 3.06Å; F440-T444 PolarHBondContact O-OG1 3.16Å |
| 441 | A | 90.7 | Very high | 87.6 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V314 I318 N437 L438 L439 T445 | V314-A441 HydrophobicContact CG1-CB 4.13Å; I318-A441 HydrophobicContact CD1-CB 4.17Å; N437-A441 WeakPolarHBondContact O-CB 3.26Å; N437-A441 PolarHBondContact O-N 3.03Å; L438-A441 PolarHBondContact O-N 3.47Å; L439-A441 PolarHBondContact O-N 3.41Å; A441-T445 VanDerWaalsContact O-CB 3.3Å; A441-T445 WeakPolarHBondContact O-CB 3.45Å; A441-T445 PolarHBondContact O-N 3.46Å; A441-T445 PolarHBondContact O-OG1 2.95Å |
| 442 | V | 91 | Very high | 87.5 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -50.6 | 180 | 170.5 | 0 | 0 | 0 | 0 | 111 | L438 L439 T444 T445 L446 | L438-V442 HydrophobicContact CD1-CG2 4.37Å; L438-V442 HydrophobicContact CG-CG2 4.42Å; L438-V442 WeakPolarHBondContact O-CB 3.41Å; L438-V442 VanDerWaalsContact O-CG2 3.24Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.04Å; L439-V442 PolarHBondContact O-N 3.12Å; V442-T444 PolarHBondContact O-N 2.7Å; V442-T445 PolarHBondContact O-N 3.41Å; V442-L446 HydrophobicContact CG1-CD1 3.79Å; V442-L446 HydrophobicContact CG1-CG 4.38Å; V442-L446 WeakPolarHBondContact O-CB 3.46Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.5Å; V442-L446 PolarHBondContact O-N 2.89Å |
| 443 | V | 90.8 | Very high | 87.5 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | P209 L439 T445 L446 C447 | P209-V443 HydrophobicContact CB-CB 4.25Å; P209-V443 HydrophobicContact CB-CG1 3.6Å; P209-V443 HydrophobicContact CG-CB 4.29Å; P209-V443 HydrophobicContact CG-CG1 3.98Å; L439-V443 HydrophobicContact CD1-CG2 3.82Å; L439-V443 HydrophobicContact CG-CG2 4.2Å; L439-V443 WeakPolarHBondContact O-CB 3.42Å; L439-V443 WeakPolarHBondContact O-CG2 3.1Å; L439-V443 PolarHBondContact O-N 3.4Å; V443-T445 PolarHBondContact O-N 2.95Å; V443-L446 PolarHBondContact O-N 2.86Å; V443-C447 WeakPolarHBondContact O-CB 3.45Å; V443-C447 PolarHBondContact O-N 2.98Å; V443-C447 PolarHBondContact O-SG 3.49Å |
| 444 | T | 89.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | P209 M212 V311 F440 V442 L446 C447 L448 | P209-T444 WeakPolarHBondContact CG-OG1 3.34Å; M212-T444 HydrophobicContact CE-CG2 3.37Å; M212-T444 VanDerWaalsContact CE-OG1 3.31Å; M212-T444 WeakPolarHBondContact CE-OG1 3.28Å; M212-T444 HydrophobicContact SD-CG2 4.27Å; V311-T444 HydrophobicContact CG2-CG2 3.41Å; V311-T444 VanDerWaalsContact CG2-CG2 3.41Å; F440-T444 WeakPolarHBondContact O-CB 3.28Å; F440-T444 PolarHBondContact O-N 3.06Å; F440-T444 PolarHBondContact O-OG1 3.16Å; V442-T444 PolarHBondContact O-N 2.7Å; T444-L446 PolarHBondContact O-N 2.78Å; T444-C447 PolarHBondContact O-N 3.36Å; T444-L448 HydrophobicContact CG2-CD1 4.05Å; T444-L448 WeakPolarHBondContact O-CG 3.47Å; T444-L448 PolarHBondContact O-N 3.16Å |
| 445 | T | 88.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 178.9 | -56.2 | 0 | 0 | 0 | 0 | 111 | A441 V442 V443 C447 L448 V449 | A441-T445 VanDerWaalsContact O-CB 3.3Å; A441-T445 WeakPolarHBondContact O-CB 3.45Å; A441-T445 PolarHBondContact O-N 3.46Å; A441-T445 PolarHBondContact O-OG1 2.95Å; V442-T445 PolarHBondContact O-N 3.41Å; V443-T445 PolarHBondContact O-N 2.95Å; T445-C447 PolarHBondContact O-N 3.48Å; T445-L448 PolarHBondContact O-N 2.91Å; T445-V449 HydrophobicContact CG2-CG2 4.28Å; T445-V449 WeakPolarHBondContact O-CB 3.12Å; T445-V449 VanDerWaalsContact O-CG2 3.28Å; T445-V449 WeakPolarHBondContact O-CG2 3.47Å; T445-V449 PolarHBondContact O-N 2.96Å |
| 446 | L | 89.1 | Confident | 86.1 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.4 | -72.9 | 172.7 | 0 | 0 | 0 | 112.4 | V442 V443 T444 R450 | V442-L446 HydrophobicContact CG1-CD1 3.79Å; V442-L446 HydrophobicContact CG1-CG 4.38Å; V442-L446 WeakPolarHBondContact O-CB 3.46Å; V442-L446 VanDerWaalsContact O-CG 3.27Å; V442-L446 WeakPolarHBondContact O-CG 3.5Å; V442-L446 PolarHBondContact O-N 2.89Å; V443-L446 PolarHBondContact O-N 2.86Å; T444-L446 PolarHBondContact O-N 2.78Å; L446-R450 WeakPolarHBondContact O-CB 3.21Å; L446-R450 VanDerWaalsContact O-CG 3.3Å; L446-R450 WeakPolarHBondContact O-CG 3.31Å; L446-R450 PolarHBondContact O-N 3.25Å |
| 447 | C | 86.5 | Confident | 85.4 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.9 | -78.4 | 0 | 0 | 0 | 0 | 112.5 | S213 V443 T444 T445 K451 | S213-C447 PolarHBondContact OG-O 3.5Å; V443-C447 WeakPolarHBondContact O-CB 3.45Å; V443-C447 PolarHBondContact O-N 2.98Å; V443-C447 PolarHBondContact O-SG 3.49Å; T444-C447 PolarHBondContact O-N 3.36Å; T445-C447 PolarHBondContact O-N 3.48Å; C447-K451 WeakPolarHBondContact O-CB 3.48Å; C447-K451 PolarHBondContact O-N 3.36Å |
| 448 | L | 84.6 | Confident | 84.8 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.4 | -50.5 | 175.9 | -70.4 | 171 | 0 | 0 | 0 | 111.2 | F216 T307 T444 T445 R450 K451 F452 | F216-L448 HydrophobicContact CE2-CD2 3.77Å; F216-L448 HydrophobicContact CZ-CD2 4.42Å; T307-L448 HydrophobicContact CG2-CD2 4.21Å; T444-L448 HydrophobicContact CG2-CD1 4.05Å; T444-L448 WeakPolarHBondContact O-CG 3.47Å; T444-L448 PolarHBondContact O-N 3.16Å; T445-L448 PolarHBondContact O-N 2.91Å; L448-R450 VanDerWaalsContact C-N 3.32Å; L448-R450 PolarHBondContact O-N 3.31Å; L448-K451 PolarHBondContact O-N 3.34Å; L448-F452 HydrophobicContact CB-CD2 4.39Å; L448-F452 HydrophobicContact CD2-CE2 4.18Å; L448-F452 VanDerWaalsContact O-CD2 3.25Å; L448-F452 WeakPolarHBondContact O-CD2 3.18Å; L448-F452 PolarHBondContact O-N 3.41Å |
| 449 | V | 85.8 | Confident | 84 | Confident | 80 Ų | 80 | 68.2 Ų | 68.2 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 179.1 | 171 | 0 | 0 | 0 | 0 | 110.5 | T445 K451 F452 T453 | T445-V449 HydrophobicContact CG2-CG2 4.28Å; T445-V449 WeakPolarHBondContact O-CB 3.12Å; T445-V449 VanDerWaalsContact O-CG2 3.28Å; T445-V449 WeakPolarHBondContact O-CG2 3.47Å; T445-V449 PolarHBondContact O-N 2.96Å; V449-K451 VanDerWaalsContact C-N 3.29Å; V449-K451 PolarHBondContact O-N 3.28Å; V449-F452 PolarHBondContact O-N 3.39Å; V449-T453 WeakPolarHBondContact O-CB 3.31Å; V449-T453 PolarHBondContact O-N 3.39Å; V449-T453 PolarHBondContact O-OG1 2.82Å |
| 450 | R | 86.6 | Confident | 83 | Confident | 191 Ų | 191 | 69.5 Ų | 69.5 | 72% | 0.721 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.4 | -40.5 | 176.5 | -77.5 | 179.9 | 174.6 | -175.6 | -0.1 | 112.3 | L446 L448 S454 | L446-R450 WeakPolarHBondContact O-CB 3.21Å; L446-R450 VanDerWaalsContact O-CG 3.3Å; L446-R450 WeakPolarHBondContact O-CG 3.31Å; L446-R450 PolarHBondContact O-N 3.25Å; L448-R450 VanDerWaalsContact C-N 3.32Å; L448-R450 PolarHBondContact O-N 3.31Å; R450-S454 VanDerWaalsContact O-CB 3.27Å; R450-S454 WeakPolarHBondContact O-CB 3.48Å; R450-S454 PolarHBondContact O-N 2.85Å; R450-S454 PolarHBondContact O-OG 2.96Å |
| 451 | K | 83.7 | Confident | 82.3 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.7 | -43 | -178.1 | -172.6 | 58.9 | 170.1 | 175.7 | 0 | 112.8 | T217 C447 L448 V449 S454 A455 | T217-K451 VanDerWaalsContact OG1-CE 3.23Å; T217-K451 WeakPolarHBondContact OG1-CE 3.44Å; T217-K451 PolarHBondContact OG1-NZ 2.87Å; C447-K451 WeakPolarHBondContact O-CB 3.48Å; C447-K451 PolarHBondContact O-N 3.36Å; L448-K451 PolarHBondContact O-N 3.34Å; V449-K451 VanDerWaalsContact C-N 3.29Å; V449-K451 PolarHBondContact O-N 3.28Å; K451-S454 PolarHBondContact O-OG 3.14Å; K451-A455 WeakPolarHBondContact O-CB 3.28Å; K451-A455 PolarHBondContact O-N 2.86Å; K451-A455 VanDerWaalsContact O-N 3.08Å |
| 452 | F | 80.2 | Confident | 81.5 | Confident | 91 Ų | 91 | 76 Ų | 76 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 176.1 | -78.4 | -68 | 0 | 0 | 0 | 111.1 | L304 L448 V449 S454 A455 V456 | L304-F452 HydrophobicContact CD1-CE2 3.94Å; L304-F452 HydrophobicContact CD1-CZ 3.68Å; L448-F452 HydrophobicContact CB-CD2 4.39Å; L448-F452 HydrophobicContact CD2-CE2 4.18Å; L448-F452 VanDerWaalsContact O-CD2 3.25Å; L448-F452 WeakPolarHBondContact O-CD2 3.18Å; L448-F452 PolarHBondContact O-N 3.41Å; V449-F452 PolarHBondContact O-N 3.39Å; F452-S454 VanDerWaalsContact C-N 3.31Å; F452-S454 PolarHBondContact O-N 3.48Å; F452-A455 PolarHBondContact O-N 2.87Å; F452-V456 VanDerWaalsContact O-CG2 3.31Å; F452-V456 WeakPolarHBondContact O-CG2 3.37Å; F452-V456 PolarHBondContact O-N 3.29Å |
| 453 | T | 82.6 | Confident | 80.5 | Confident | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | V449 R457 | V449-T453 WeakPolarHBondContact O-CB 3.31Å; V449-T453 PolarHBondContact O-N 3.39Å; V449-T453 PolarHBondContact O-OG1 2.82Å; T453-R457 WeakPolarHBondContact O-CB 3.4Å; T453-R457 PolarHBondContact O-N 3.3Å |
| 454 | S | 77.7 | Confident | 79.8 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 176.1 | 69 | 0 | 0 | 0 | 0 | 112.2 | R450 K451 F452 R457 E458 | R450-S454 VanDerWaalsContact O-CB 3.27Å; R450-S454 WeakPolarHBondContact O-CB 3.48Å; R450-S454 PolarHBondContact O-N 2.85Å; R450-S454 PolarHBondContact O-OG 2.96Å; K451-S454 PolarHBondContact O-OG 3.14Å; F452-S454 VanDerWaalsContact C-N 3.31Å; F452-S454 PolarHBondContact O-N 3.48Å; S454-R457 PolarHBondContact O-N 3.33Å; S454-E458 WeakPolarHBondContact O-CG 3.49Å; S454-E458 PolarHBondContact O-N 2.92Å |
| 455 | A | 75.8 | Confident | 78.6 | Confident | 45 Ų | 45 | 82.6 Ų | 82.6 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K451 F452 R457 E458 E459 | K451-A455 WeakPolarHBondContact O-CB 3.28Å; K451-A455 PolarHBondContact O-N 2.86Å; K451-A455 VanDerWaalsContact O-N 3.08Å; F452-A455 PolarHBondContact O-N 2.87Å; A455-R457 VanDerWaalsContact C-N 3.32Å; A455-R457 PolarHBondContact O-N 3.18Å; A455-E458 PolarHBondContact O-N 3.09Å; A455-E459 WeakPolarHBondContact O-CG 3.33Å; A455-E459 PolarHBondContact O-N 2.66Å |
| 456 | V | 74.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F452 E459 L460 | F452-V456 VanDerWaalsContact O-CG2 3.31Å; F452-V456 WeakPolarHBondContact O-CG2 3.37Å; F452-V456 PolarHBondContact O-N 3.29Å; V456-E459 PolarHBondContact O-N 2.99Å; V456-L460 VanDerWaalsContact O-CB 3.25Å; V456-L460 WeakPolarHBondContact O-CB 3.44Å; V456-L460 PolarHBondContact O-N 3.25Å |
| 457 | R | 73.6 | Confident | 75.6 | Confident | 155 Ų | 155 | 83.3 Ų | 83.3 | 59% | 0.585 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.6 | -174.8 | -177.6 | 69.4 | -175.8 | 2.5 | 112.3 | T453 S454 A455 L460 L461 | T453-R457 WeakPolarHBondContact O-CB 3.4Å; T453-R457 PolarHBondContact O-N 3.3Å; S454-R457 PolarHBondContact O-N 3.33Å; A455-R457 VanDerWaalsContact C-N 3.32Å; A455-R457 PolarHBondContact O-N 3.18Å; R457-L460 PolarHBondContact O-N 3.2Å; R457-L461 HydrophobicContact CG-CD1 4.15Å; R457-L461 WeakPolarHBondContact O-CB 3.46Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.14Å |
| 458 | E | 76.4 | Confident | 73.9 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.9 | -78.4 | 172.6 | -161.3 | 0 | 0 | 111.7 | S454 A455 L460 L461 K462 | S454-E458 WeakPolarHBondContact O-CG 3.49Å; S454-E458 PolarHBondContact O-N 2.92Å; A455-E458 PolarHBondContact O-N 3.09Å; E458-L460 VanDerWaalsContact C-N 3.35Å; E458-L460 PolarHBondContact O-N 3.49Å; E458-L461 PolarHBondContact O-N 3.25Å; E458-K462 WeakPolarHBondContact O-CG 3.27Å; E458-K462 PolarHBondContact O-N 3.34Å |
| 459 | E | 75.2 | Confident | 72.2 | Confident | 91 Ų | 91 | 96 Ų | 96 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 177.1 | -67.5 | -55.6 | 136.5 | 0 | 0 | 112.2 | A455 V456 K462 A463 | A455-E459 WeakPolarHBondContact O-CG 3.33Å; A455-E459 PolarHBondContact O-N 2.66Å; V456-E459 PolarHBondContact O-N 2.99Å; E459-K462 PolarHBondContact O-N 3.07Å; E459-K462 IonicContact OE1-NZ 3.69Å; E459-K462 PolarHBondContact OE1-NZ 3.07Å; E459-A463 VanDerWaalsContact O-CB 3.31Å; E459-A463 WeakPolarHBondContact O-CB 3.3Å; E459-A463 PolarHBondContact O-N 3.38Å |
| 460 | L | 70.6 | Confident | 70.1 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.3 | -163.8 | 106 | 0 | 0 | 0 | 111.5 | V456 R457 E458 A463 L464 | V456-L460 VanDerWaalsContact O-CB 3.25Å; V456-L460 WeakPolarHBondContact O-CB 3.44Å; V456-L460 PolarHBondContact O-N 3.25Å; R457-L460 PolarHBondContact O-N 3.2Å; E458-L460 VanDerWaalsContact C-N 3.35Å; E458-L460 PolarHBondContact O-N 3.49Å; L460-A463 PolarHBondContact O-N 3.16Å; L460-L464 HydrophobicContact CD2-CD1 3.65Å; L460-L464 HydrophobicContact CG-CD1 3.89Å; L460-L464 VanDerWaalsContact O-CB 3.32Å; L460-L464 WeakPolarHBondContact O-CB 3.26Å; L460-L464 WeakPolarHBondContact O-CD1 3.34Å; L460-L464 WeakPolarHBondContact O-CG 3.02Å; L460-L464 PolarHBondContact O-N 3.29Å |
| 461 | L | 75.6 | Confident | 67.8 | Low | 57 Ų | 57 | 98.5 Ų | 98.5 | 30% | 0.298 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.5 | -76.8 | 169 | 0 | 0 | 0 | 112.3 | R457 E458 G465 L466 | R457-L461 HydrophobicContact CG-CD1 4.15Å; R457-L461 WeakPolarHBondContact O-CB 3.46Å; R457-L461 VanDerWaalsContact O-CG 3.26Å; R457-L461 WeakPolarHBondContact O-CG 3.31Å; R457-L461 PolarHBondContact O-N 3.14Å; E458-L461 PolarHBondContact O-N 3.25Å; L461-G465 PolarHBondContact O-N 3.34Å; L461-L466 HydrophobicContact CD2-CB 4.21Å; L461-L466 HydrophobicContact CD2-CD2 4.27Å; L461-L466 PolarHBondContact O-N 3.08Å; L461-L466 VanDerWaalsContact O-N 3.11Å |
| 462 | K | 73.8 | Confident | 65.4 | Low | 92 Ų | 92 | 99.8 Ų | 99.8 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 171.7 | -74.3 | 175 | -167.3 | 166.6 | 0 | 111.9 | E458 E459 L464 G465 D467 | E458-K462 WeakPolarHBondContact O-CG 3.27Å; E458-K462 PolarHBondContact O-N 3.34Å; E459-K462 PolarHBondContact O-N 3.07Å; E459-K462 IonicContact OE1-NZ 3.69Å; E459-K462 PolarHBondContact OE1-NZ 3.07Å; K462-L464 VanDerWaalsContact C-N 3.27Å; K462-L464 PolarHBondContact O-N 3.34Å; K462-G465 PolarHBondContact O-N 3.27Å; K462-D467 VanDerWaalsContact CG-OD2 3.3Å; K462-D467 WeakPolarHBondContact CG-OD2 3.48Å |
| 463 | A | 70.6 | Confident | 63.3 | Low | 90 Ų | 90 | 102 Ų | 102 | 74% | 0.744 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -33.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E459 L460 G465 | E459-A463 VanDerWaalsContact O-CB 3.31Å; E459-A463 WeakPolarHBondContact O-CB 3.3Å; E459-A463 PolarHBondContact O-N 3.38Å; L460-A463 PolarHBondContact O-N 3.16Å; A463-G465 PolarHBondContact O-N 2.77Å |
| 464 | L | 75.3 | Confident | 60.5 | Low | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -2.5 | 173.6 | -76.1 | 158.7 | 0 | 0 | 0 | 113.5 | L460 K462 L466 | L460-L464 HydrophobicContact CD2-CD1 3.65Å; L460-L464 HydrophobicContact CG-CD1 3.89Å; L460-L464 VanDerWaalsContact O-CB 3.32Å; L460-L464 WeakPolarHBondContact O-CB 3.26Å; L460-L464 WeakPolarHBondContact O-CD1 3.34Å; L460-L464 WeakPolarHBondContact O-CG 3.02Å; L460-L464 PolarHBondContact O-N 3.29Å; K462-L464 VanDerWaalsContact C-N 3.27Å; K462-L464 PolarHBondContact O-N 3.34Å; L464-L466 HydrophobicContact CB-CD1 4.3Å; L464-L466 PolarHBondContact O-N 3.35Å |
| 465 | G | 64.9 | Low | 58.5 | Low | 45 Ų | 45 | 107.9 Ų | 107.9 | 46% | 0.464 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70 | 10.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L461 K462 A463 D467 | L461-G465 PolarHBondContact O-N 3.34Å; K462-G465 PolarHBondContact O-N 3.27Å; A463-G465 PolarHBondContact O-N 2.77Å; G465-D467 VanDerWaalsContact C-N 3.27Å; G465-D467 PolarHBondContact O-N 3.31Å |
| 466 | L | 58.4 | Low | 56.5 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 45% | 0.445 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -11.8 | -177.9 | -104.6 | 79.2 | 0 | 0 | 0 | 113.6 | L461 L464 K468 L469 | L461-L466 HydrophobicContact CD2-CB 4.21Å; L461-L466 HydrophobicContact CD2-CD2 4.27Å; L461-L466 PolarHBondContact O-N 3.08Å; L461-L466 VanDerWaalsContact O-N 3.11Å; L464-L466 HydrophobicContact CB-CD1 4.3Å; L464-L466 PolarHBondContact O-N 3.35Å; L466-K468 PolarHBondContact O-N 3.35Å; L466-L469 HydrophobicContact CG-CD1 4.12Å; L466-L469 WeakPolarHBondContact O-CB 3.35Å; L466-L469 PolarHBondContact O-N 3.02Å |
| 467 | D | 54.9 | Low | 54.3 | Low | 86 Ų | 86 | 112.4 Ų | 112.4 | 46% | 0.46 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.7 | -26.7 | 176.2 | -120.7 | 9.3 | 0 | 0 | 0 | 112.1 | K462 G465 L469 | K462-D467 VanDerWaalsContact CG-OD2 3.3Å; K462-D467 WeakPolarHBondContact CG-OD2 3.48Å; G465-D467 VanDerWaalsContact C-N 3.27Å; G465-D467 PolarHBondContact O-N 3.31Å; D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 3.49Å |
| 468 | K | 51.1 | Low | 52.4 | Low | 194 Ų | 194 | 110.9 Ų | 110.9 | 84% | 0.843 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.5 | -14.1 | 174.9 | -68.3 | -146.1 | 178.8 | -172.2 | 0 | 114.5 | L466 | L466-K468 PolarHBondContact O-N 3.35Å |
| 469 | L | 49.8 | Very low | 50.3 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -90.7 | -23.5 | 178.9 | -80.9 | 153.2 | 0 | 0 | 0 | 112.6 | L466 D467 | L466-L469 HydrophobicContact CG-CD1 4.12Å; L466-L469 WeakPolarHBondContact O-CB 3.35Å; L466-L469 PolarHBondContact O-N 3.02Å; D467-L469 VanDerWaalsContact C-N 3.31Å; D467-L469 PolarHBondContact O-N 3.49Å |
| 470 | Q | 40.5 | Very low | 48.1 | Very low | 153 Ų | 153 | 117 Ų | 117 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.4 | -12.7 | 179.8 | -71.1 | -152 | -21.9 | 0 | 0 | 114.7 | S472 | Q470-S472 PolarHBondContact O-N 2.96Å |
| 471 | L | 39.3 | Very low | 46 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -1.1 | 171 | -125.9 | 89.3 | 0 | 0 | 0 | 114 | ||
| 472 | S | 32.8 | Very low | 43.9 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -9.8 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 114.4 | Q470 | Q470-S472 PolarHBondContact O-N 2.96Š|
| 473 | N | 36.2 | Very low | 41.7 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -132.3 | 75.2 | -174.2 | -75.7 | -23.8 | 0 | 0 | 0 | 112.2 | ||||
| 474 | S | 24.6 | Very low | 39.7 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -136.5 | 95.3 | 151.1 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | A476 | S474-A476 PolarHBondContact O-N 3.15Š| ||
| 475 | P | 35.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -89.6 | 83.8 | 171 | 33.6 | -25.9 | 0 | 0 | 0 | 108.5 | ||||
| 476 | A | 32.8 | Very low | 35.9 | Very low | 76 Ų | 76 | 132 Ų | 132 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | -166.3 | 80.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S474 | S474-A476 PolarHBondContact O-N 3.15Š| ||
| 477 | D | 27.8 | Very low | 34.4 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -168.2 | 138.9 | 131 | -94.9 | -25.1 | 0 | 0 | 0 | 109.5 | ||
| 478 | P | 35.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 154 | -170.3 | 32.2 | -33.9 | 0 | 0 | 0 | 112.7 | ||||
| 479 | E | 32.5 | Very low | 32 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -39.7 | 142.7 | -178.1 | -57.3 | -177.1 | 144 | 0 | 0 | 117.1 | ||||
| 480 | S | 28.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -152.8 | 106.7 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 481 | G | 27 | Very low | 30.5 | Very low | 66 Ų | 66 | 137.3 Ų | 137.3 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 93.8 | 85.4 | 131.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 482 | K | 30.7 | Very low | 30.1 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | 41.7 | 125.8 | 135 | -66.2 | 177.8 | 178 | 176.4 | 0 | 119.9 | ||||
| 483 | L | 26.9 | Very low | 30 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | -167.5 | 108.2 | 102 | -117.3 | 117.9 | 0 | 0 | 0 | 111.1 | |||||
| 484 | S | 28.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -78.9 | 123.8 | 166.2 | 180 | 0 | 0 | 0 | 0 | 108.8 | N486 | S484-N486 PolarHBondContact O-N 2.87Š| ||
| 485 | A | 29.7 | Very low | 29.9 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | trans | -77.2 | 108 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 486 | N | 30.9 | Very low | 29.6 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | trans | -90.6 | 104.9 | 170 | -127.3 | -0.8 | 0 | 0 | 0 | 108.8 | S484 | S484-N486 PolarHBondContact O-N 2.87Š| ||
| 487 | G | 27.5 | Very low | 29.4 | Very low | 72 Ų | 72 | 150.9 Ų | 150.9 | 74% | 0.742 | 86% | 0.856 | S | S | * | * | trans | -92.5 | 110.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 488 | H | 28.7 | Very low | 29.5 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 84% | 0.838 | 86% | 0.856 | S | S | * | * | trans | -59.9 | 131.7 | 167.5 | -99.1 | -63 | 0 | 0 | 0 | 111 | ||||
| 489 | Q | 26.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 86% | 0.86 | S | S | * | * | trans | -140.4 | 108.5 | 146.6 | -150.5 | 156.3 | -6 | 0 | 0 | 109.4 | ||||
| 490 | K | 31.2 | Very low | 28.9 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 76% | 0.757 | 86% | 0.856 | S | S | * | * | trans | -66.1 | 145 | 164.7 | -70.6 | 175.4 | 173.4 | 178.8 | 0 | 108.3 | ||||
| 491 | T | 28.3 | Very low | 28.9 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 85% | 0.853 | S | S | * | * | 172.9 | 134.8 | 100.3 | 36.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 492 | L | 30.8 | Very low | 29.1 | Very low | 248 Ų | 248 | 158.4 Ų | 158.4 | 100% | 1.298 | 87% | 0.869 | S | S | * | * | trans | 70.7 | 0 | 160.2 | -78.3 | 155.4 | 0 | 0 | 0 | 118.8 |
Retrieved 492 of 492 residues in 571 ms
(Link to these results)