| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 46.7 | Very low | 254 Ų | 254 | 149.9 Ų | 149.9 | 100% | 1.251 | 76% | 0.759 | S | S | * | * | 0 | 103.7 | 0 | -81.7 | 169.1 | 159.6 | 0 | 0 | 108.7 | |||||
| 2 | S | 44.5 | Very low | 47.2 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -120.1 | 99 | -178.7 | -168.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | R | 45.7 | Very low | 47.7 | Very low | 245 Ų | 245 | 141.6 Ų | 141.6 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | trans | -153.7 | 83.8 | 169.3 | -82.4 | -167 | 170.8 | 169.1 | -3.6 | 108.5 | ||||
| 4 | K | 50.9 | Low | 48.1 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | trans | -171 | 56.5 | 163.3 | -112.1 | 175.6 | -174 | -175.6 | 0 | 112.6 | ||||
| 5 | F | 51.1 | Low | 48.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | trans | -144.1 | 12.9 | 168.4 | -88.2 | -68.2 | 0 | 0 | 0 | 116.1 | I8 | F5-I8 HydrophobicContact CD1-CD1 4.33Å; F5-I8 HydrophobicContact CE1-CD1 4.4Å | ||
| 6 | T | 49.1 | Very low | 49.4 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -93.4 | -1.2 | 177.7 | 39.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 7 | H | 44.1 | Very low | 50.2 | Low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -87.2 | -10.6 | -179.3 | -150.8 | -88.2 | 0 | 0 | 0 | 115 | ||
| 8 | I | 48.9 | Very low | 51.2 | Low | 92 Ų | 92 | 136.2 Ų | 136.2 | 47% | 0.472 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -91.3 | -26.1 | -173.8 | -51.8 | 178 | 0 | 0 | 0 | 112.2 | F5 G10 Q11 | F5-I8 HydrophobicContact CD1-CD1 4.33Å; F5-I8 HydrophobicContact CE1-CD1 4.4Å; I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 2.76Å; I8-Q11 PolarHBondContact O-N 2.8Å |
| 9 | V | 47.5 | Very low | 52.1 | Low | 110 Ų | 110 | 130.6 Ų | 130.6 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.5 | -23 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | N13 | V9-N13 PolarHBondContact O-ND2 2.92Å |
| 10 | G | 46.5 | Very low | 53 | Low | 43 Ų | 43 | 130.4 Ų | 130.4 | 44% | 0.443 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -79.1 | -37.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I8 N13 V14 | I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 2.76Å; G10-N13 PolarHBondContact O-N 3.25Å; G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.18Å |
| 11 | Q | 48.9 | Very low | 54 | Low | 119 Ų | 119 | 128.5 Ų | 128.5 | 56% | 0.556 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.3 | -38.8 | -167 | -150.2 | 167.7 | 9.5 | 0 | 0 | 112.7 | I8 N13 V14 E15 | I8-Q11 PolarHBondContact O-N 2.8Å; Q11-N13 VanDerWaalsContact C-N 3.25Å; Q11-N13 PolarHBondContact O-N 2.8Å; Q11-V14 PolarHBondContact O-N 3.38Å; Q11-V14 VanDerWaalsContact O-N 3.15Å; Q11-E15 PolarHBondContact O-N 3.49Å; Q11-E15 VanDerWaalsContact O-N 3.1Å |
| 12 | N | 52.7 | Low | 55.7 | Low | 98 Ų | 98 | 120.6 Ų | 120.6 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.8 | -28.5 | 179.5 | -60.5 | 0.7 | 0 | 0 | 0 | 112.7 | S16 | N12-S16 PolarHBondContact O-N 3.33Å |
| 13 | N | 53.9 | Low | 57.2 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.2 | -31.3 | 176.5 | -70.8 | -28 | 0 | 0 | 0 | 112.2 | V9 G10 Q11 R17 | V9-N13 PolarHBondContact O-ND2 2.92Å; G10-N13 PolarHBondContact O-N 3.25Å; Q11-N13 VanDerWaalsContact C-N 3.25Å; Q11-N13 PolarHBondContact O-N 2.8Å; N13-R17 VanDerWaalsContact O-CB 3.29Å; N13-R17 WeakPolarHBondContact O-CB 3.49Å; N13-R17 WeakPolarHBondContact O-CD 3.43Å; N13-R17 WeakPolarHBondContact O-CG 3.29Å; N13-R17 PolarHBondContact O-N 3.33Å |
| 14 | V | 52.5 | Low | 58.5 | Low | 102 Ų | 102 | 111.3 Ų | 111.3 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.3 | -41.7 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 110 | G10 Q11 R17 F18 | G10-V14 WeakPolarHBondContact O-CG2 3.4Å; G10-V14 PolarHBondContact O-N 3.18Å; Q11-V14 PolarHBondContact O-N 3.38Å; Q11-V14 VanDerWaalsContact O-N 3.15Å; V14-R17 PolarHBondContact O-N 3.15Å; V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.25Å; V14-F18 PolarHBondContact O-N 3.49Å |
| 15 | E | 55.7 | Low | 59.6 | Low | 142 Ų | 142 | 104.9 Ų | 104.9 | 66% | 0.664 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.2 | -41.9 | -179.3 | -164.7 | 175.1 | 173.1 | 0 | 0 | 112.5 | Q11 F18 G19 | Q11-E15 PolarHBondContact O-N 3.49Å; Q11-E15 VanDerWaalsContact O-N 3.1Å; E15-F18 PolarHBondContact O-N 3.44Å; E15-G19 PolarHBondContact O-N 3Å |
| 16 | S | 62.1 | Low | 60.8 | Low | 61 Ų | 61 | 102.5 Ų | 102.5 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 176.3 | 83.7 | 0 | 0 | 0 | 0 | 112.3 | N12 F18 G19 Q20 | N12-S16 PolarHBondContact O-N 3.33Å; S16-F18 VanDerWaalsContact C-N 3.33Å; S16-G19 PolarHBondContact O-N 3.01Å; S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 WeakPolarHBondContact O-CG 3.3Å; S16-Q20 PolarHBondContact O-N 3.47Å |
| 17 | R | 62.5 | Low | 62.1 | Low | 175 Ų | 175 | 99 Ų | 99 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -37.1 | 173.8 | -74.9 | 178.9 | -179 | -150.5 | 0.6 | 111.7 | N13 V14 Q20 T21 | N13-R17 VanDerWaalsContact O-CB 3.29Å; N13-R17 WeakPolarHBondContact O-CB 3.49Å; N13-R17 WeakPolarHBondContact O-CD 3.43Å; N13-R17 WeakPolarHBondContact O-CG 3.29Å; N13-R17 PolarHBondContact O-N 3.33Å; V14-R17 PolarHBondContact O-N 3.15Å; R17-Q20 PolarHBondContact O-N 2.87Å; R17-T21 WeakPolarHBondContact O-CB 3.24Å; R17-T21 PolarHBondContact O-N 3.26Å; R17-T21 PolarHBondContact O-OG1 3.16Å |
| 18 | F | 67.4 | Low | 63.7 | Low | 131 Ų | 131 | 96.3 Ų | 96.3 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -47.9 | 177 | -173.5 | -103.4 | 0 | 0 | 0 | 110.9 | V14 E15 S16 Q20 T21 L22 | V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.25Å; V14-F18 PolarHBondContact O-N 3.49Å; E15-F18 PolarHBondContact O-N 3.44Å; S16-F18 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 2.97Å; F18-T21 PolarHBondContact O-N 3.12Å; F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD1-CG 4.34Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.06Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.36Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 2.74Å |
| 19 | G | 69.1 | Low | 65.1 | Low | 29 Ų | 29 | 100.8 Ų | 100.8 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E15 S16 T21 L22 I23 | E15-G19 PolarHBondContact O-N 3Å; S16-G19 PolarHBondContact O-N 3.01Å; G19-T21 PolarHBondContact O-N 2.79Å; G19-L22 PolarHBondContact O-N 2.93Å; G19-I23 WeakPolarHBondContact O-CD1 3.5Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.43Å; G19-I23 PolarHBondContact O-N 2.82Å |
| 20 | Q | 69.2 | Low | 66.5 | Low | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 174.6 | -77 | 179.4 | -10.1 | 0 | 0 | 112.4 | S16 R17 F18 L22 I23 L24 | S16-Q20 WeakPolarHBondContact O-CB 3.42Å; S16-Q20 WeakPolarHBondContact O-CG 3.3Å; S16-Q20 PolarHBondContact O-N 3.47Å; R17-Q20 PolarHBondContact O-N 2.87Å; F18-Q20 PolarHBondContact O-N 2.97Å; Q20-L22 VanDerWaalsContact C-N 3.35Å; Q20-L22 PolarHBondContact O-N 3.37Å; Q20-I23 PolarHBondContact O-N 2.75Å; Q20-L24 WeakPolarHBondContact O-CB 3.48Å; Q20-L24 PolarHBondContact O-N 2.91Å |
| 21 | T | 74.1 | Confident | 67.9 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 178.9 | -55.3 | 0 | 0 | 0 | 0 | 111 | R17 F18 G19 L24 S25 | R17-T21 WeakPolarHBondContact O-CB 3.24Å; R17-T21 PolarHBondContact O-N 3.26Å; R17-T21 PolarHBondContact O-OG1 3.16Å; F18-T21 PolarHBondContact O-N 3.12Å; G19-T21 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact O-N 3.31Å; T21-S25 VanDerWaalsContact O-CB 3.32Å; T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.47Å |
| 22 | L | 72.8 | Confident | 69.1 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 175 | -73.1 | -179.7 | 0 | 0 | 0 | 111.7 | F18 G19 Q20 L24 S25 F26 | F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CD1-CG 4.34Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.06Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.36Å; F18-L22 HydrophobicContact CZ-CG 4.25Å; F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 2.74Å; G19-L22 PolarHBondContact O-N 2.93Å; Q20-L22 VanDerWaalsContact C-N 3.35Å; Q20-L22 PolarHBondContact O-N 3.37Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.44Å; L22-S25 WeakPolarHBondContact CA-OG 3.49Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-S25 PolarHBondContact O-OG 2.96Å; L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 3.32Å |
| 23 | I | 76.1 | Confident | 70.1 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 33% | 0.328 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.4 | -68 | 163.2 | 0 | 0 | 0 | 110.3 | G19 Q20 S25 F26 I27 | G19-I23 WeakPolarHBondContact O-CD1 3.5Å; G19-I23 VanDerWaalsContact O-CG1 3.26Å; G19-I23 WeakPolarHBondContact O-CG1 3.43Å; G19-I23 PolarHBondContact O-N 2.82Å; Q20-I23 PolarHBondContact O-N 2.75Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 2.77Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 3.47Å; I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.2Å |
| 24 | L | 73.2 | Confident | 71 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 179.6 | -145.5 | 124.1 | 0 | 0 | 0 | 111 | Q20 T21 L22 F26 I27 L28 | Q20-L24 WeakPolarHBondContact O-CB 3.48Å; Q20-L24 PolarHBondContact O-N 2.91Å; T21-L24 PolarHBondContact O-N 3.31Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.44Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 2.81Å; L24-I27 PolarHBondContact O-N 3.45Å; L24-L28 HydrophobicContact CD2-CD1 3.94Å; L24-L28 HydrophobicContact CD2-CG 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.19Å |
| 25 | S | 74.1 | Confident | 72 | Confident | 60 Ų | 60 | 95 Ų | 95 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 174.5 | 77.7 | 0 | 0 | 0 | 0 | 112.3 | T21 L22 I23 L28 W29 | T21-S25 VanDerWaalsContact O-CB 3.32Å; T21-S25 WeakPolarHBondContact O-CB 3.34Å; T21-S25 PolarHBondContact O-N 3.21Å; T21-S25 PolarHBondContact O-OG 3.47Å; L22-S25 WeakPolarHBondContact CA-OG 3.49Å; L22-S25 PolarHBondContact O-N 2.82Å; L22-S25 PolarHBondContact O-OG 2.96Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 2.77Å; S25-L28 PolarHBondContact O-N 2.99Å; S25-W29 VanDerWaalsContact O-CB 3.3Å; S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 2.84Å |
| 26 | F | 75.6 | Confident | 73 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 55% | 0.548 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.9 | -175.6 | -98.3 | 0 | 0 | 0 | 111.7 | L22 I23 L24 W29 K30 | L22-F26 WeakPolarHBondContact O-CB 3.3Å; L22-F26 PolarHBondContact O-N 3.32Å; I23-F26 WeakPolarHBondContact O-CB 3.3Å; I23-F26 PolarHBondContact O-N 3.47Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 2.81Å; F26-W29 PolarHBondContact O-N 3.34Å; F26-K30 HydrophobicContact CD1-CG 4.34Å; F26-K30 HydrophobicContact CE1-CG 4.03Å; F26-K30 HydrophobicContact CZ-CG 4.3Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 WeakPolarHBondContact O-CG 3.38Å; F26-K30 PolarHBondContact O-N 2.68Å |
| 27 | I | 77.6 | Confident | 73.5 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 33% | 0.333 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.2 | -67.7 | 166 | 0 | 0 | 0 | 109.9 | I23 L24 W29 K30 L31 | I23-I27 HydrophobicContact CG2-CD1 3.73Å; I23-I27 HydrophobicContact CG2-CG1 4.39Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.15Å; I23-I27 PolarHBondContact O-N 3.2Å; L24-I27 PolarHBondContact O-N 3.45Å; I27-W29 VanDerWaalsContact C-N 3.33Å; I27-W29 PolarHBondContact O-N 2.74Å; I27-K30 PolarHBondContact O-N 3.44Å; I27-L31 VanDerWaalsContact O-CB 3.29Å; I27-L31 WeakPolarHBondContact O-CB 3.22Å; I27-L31 PolarHBondContact O-N 3.35Å |
| 28 | L | 76.2 | Confident | 73.5 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 177.1 | -74 | 171.5 | 0 | 0 | 0 | 111 | L24 S25 K30 L31 T32 | L24-L28 HydrophobicContact CD2-CD1 3.94Å; L24-L28 HydrophobicContact CD2-CG 4.48Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.24Å; L24-L28 WeakPolarHBondContact O-CG 3.42Å; L24-L28 PolarHBondContact O-N 3.19Å; S25-L28 PolarHBondContact O-N 2.99Å; L28-K30 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-L31 VanDerWaalsContact O-N 3.17Å; L28-T32 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-OG1 3.34Å |
| 29 | W | 78.4 | Confident | 73.5 | Confident | 187 Ų | 187 | 88.3 Ų | 88.3 | 71% | 0.708 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.5 | -46 | 177 | -179.5 | -95.9 | 0 | 0 | 0 | 112.5 | S25 F26 I27 L31 T32 A33 | S25-W29 VanDerWaalsContact O-CB 3.3Å; S25-W29 WeakPolarHBondContact O-CB 3.3Å; S25-W29 PolarHBondContact O-N 2.84Å; F26-W29 PolarHBondContact O-N 3.34Å; I27-W29 VanDerWaalsContact C-N 3.33Å; I27-W29 PolarHBondContact O-N 2.74Å; W29-L31 VanDerWaalsContact C-N 3.3Å; W29-L31 PolarHBondContact O-N 2.87Å; W29-T32 PolarHBondContact O-N 2.79Å; W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 3.3Å |
| 30 | K | 78.7 | Confident | 73.5 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.1 | -79.6 | -73.5 | -168.7 | 175.9 | 0 | 111.8 | F26 I27 L28 A33 Q34 | F26-K30 HydrophobicContact CD1-CG 4.34Å; F26-K30 HydrophobicContact CE1-CG 4.03Å; F26-K30 HydrophobicContact CZ-CG 4.3Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 WeakPolarHBondContact O-CG 3.38Å; F26-K30 PolarHBondContact O-N 2.68Å; I27-K30 PolarHBondContact O-N 3.44Å; L28-K30 PolarHBondContact O-N 3.48Å; K30-A33 PolarHBondContact O-N 3.46Å; K30-Q34 PolarHBondContact O-N 3.2Å |
| 31 | L | 75.2 | Confident | 73.2 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -178.4 | -156.8 | 136.4 | 0 | 0 | 0 | 111.3 | I27 L28 W29 Q34 I35 | I27-L31 VanDerWaalsContact O-CB 3.29Å; I27-L31 WeakPolarHBondContact O-CB 3.22Å; I27-L31 PolarHBondContact O-N 3.35Å; L28-L31 PolarHBondContact O-N 3.39Å; L28-L31 VanDerWaalsContact O-N 3.17Å; W29-L31 VanDerWaalsContact C-N 3.3Å; W29-L31 PolarHBondContact O-N 2.87Å; L31-Q34 PolarHBondContact O-N 3.34Å; L31-I35 HydrophobicContact CD2-CD1 3.67Å; L31-I35 HydrophobicContact CD2-CG1 4.42Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.84Å |
| 32 | T | 73.7 | Confident | 72.8 | Confident | 72 Ų | 72 | 88.6 Ų | 88.6 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 172.1 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | L28 W29 Q34 I35 I36 | L28-T32 PolarHBondContact O-N 3.28Å; L28-T32 PolarHBondContact O-OG1 3.34Å; W29-T32 PolarHBondContact O-N 2.79Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.21Å; T32-I35 PolarHBondContact O-N 2.84Å; T32-I36 HydrophobicContact CG2-CD1 3.91Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.35Å |
| 33 | A | 74.8 | Confident | 72.5 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W29 K30 L37 | W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 3.3Å; K30-A33 PolarHBondContact O-N 3.46Å; A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.29Å |
| 34 | Q | 71.8 | Confident | 71.6 | Confident | 42 Ų | 42 | 89 Ų | 89 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 172.4 | -84.8 | 178.1 | -27.4 | 0 | 0 | 112 | K30 L31 T32 I36 L37 C38 T87 | K30-Q34 PolarHBondContact O-N 3.2Å; L31-Q34 PolarHBondContact O-N 3.34Å; T32-Q34 VanDerWaalsContact C-N 3.3Å; T32-Q34 PolarHBondContact O-N 3.21Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.05Å; Q34-L37 PolarHBondContact O-N 3.43Å; Q34-C38 WeakPolarHBondContact O-CB 3.42Å; Q34-C38 PolarHBondContact O-N 3.32Å; Q34-C38 PolarHBondContact O-SG 3.47Å; Q34-T87 VanDerWaalsContact NE2-CB 3.32Å; Q34-T87 PolarHBondContact NE2-OG1 3.36Å; Q34-T87 VanDerWaalsContact NE2-OG1 3.15Å |
| 35 | I | 73.1 | Confident | 70.8 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.6 | -69.4 | 166.4 | 0 | 0 | 0 | 110.8 | L31 T32 L37 C38 L39 | L31-I35 HydrophobicContact CD2-CD1 3.67Å; L31-I35 HydrophobicContact CD2-CG1 4.42Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.39Å; L31-I35 PolarHBondContact O-N 2.84Å; T32-I35 PolarHBondContact O-N 2.84Å; I35-L37 VanDerWaalsContact C-N 3.35Å; I35-C38 WeakPolarHBondContact O-CB 3.49Å; I35-C38 PolarHBondContact O-N 3.33Å; I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.39Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.49Å |
| 36 | I | 76.2 | Confident | 70.3 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.1 | -66.8 | 165.8 | 0 | 0 | 0 | 110.5 | T32 Q34 C38 L39 S40 | T32-I36 HydrophobicContact CG2-CD1 3.91Å; T32-I36 HydrophobicContact CG2-CG1 4.44Å; T32-I36 VanDerWaalsContact O-CG1 3.27Å; T32-I36 WeakPolarHBondContact O-CG1 3.43Å; T32-I36 PolarHBondContact O-N 3.35Å; Q34-I36 VanDerWaalsContact C-N 3.33Å; Q34-I36 PolarHBondContact O-N 3.05Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-L39 PolarHBondContact O-N 3.25Å; I36-S40 WeakPolarHBondContact O-CB 3.35Å; I36-S40 PolarHBondContact O-N 3.28Å |
| 37 | L | 72.8 | Confident | 69.9 | Low | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 176.3 | -169.9 | 75 | 0 | 0 | 0 | 110.9 | A33 Q34 I35 S40 L41 | A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 PolarHBondContact O-N 3.29Å; Q34-L37 PolarHBondContact O-N 3.43Å; I35-L37 VanDerWaalsContact C-N 3.35Å; L37-S40 PolarHBondContact O-N 2.93Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 PolarHBondContact O-N 2.89Å |
| 38 | C | 64.3 | Low | 68.9 | Low | 47 Ų | 47 | 92.7 Ų | 92.7 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | Q34 I35 I36 L41 E42 | Q34-C38 WeakPolarHBondContact O-CB 3.42Å; Q34-C38 PolarHBondContact O-N 3.32Å; Q34-C38 PolarHBondContact O-SG 3.47Å; I35-C38 WeakPolarHBondContact O-CB 3.49Å; I35-C38 PolarHBondContact O-N 3.33Å; I36-C38 VanDerWaalsContact C-N 3.35Å; C38-L41 CarbonylContact O-C 3.48Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 3.23Å; C38-E42 WeakPolarHBondContact O-CB 3.29Å; C38-E42 PolarHBondContact O-N 3.42Å |
| 39 | L | 66 | Low | 68.3 | Low | 108 Ų | 108 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 177.3 | -77.4 | 162.1 | 0 | 0 | 0 | 111.6 | I35 I36 L41 E42 G43 | I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.4Å; I35-L39 WeakPolarHBondContact O-CB 3.39Å; I35-L39 WeakPolarHBondContact O-CG 3.42Å; I35-L39 PolarHBondContact O-N 3.49Å; I36-L39 PolarHBondContact O-N 3.25Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.45Å; L39-E42 PolarHBondContact O-N 2.96Å; L39-G43 PolarHBondContact O-N 3.45Å |
| 40 | S | 69.5 | Low | 67.8 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | I36 L37 H44 | I36-S40 WeakPolarHBondContact O-CB 3.35Å; I36-S40 PolarHBondContact O-N 3.28Å; L37-S40 PolarHBondContact O-N 2.93Å; S40-H44 PolarHBondContact O-N 2.86Å |
| 41 | L | 63.1 | Low | 67.1 | Low | 50 Ų | 50 | 88.2 Ų | 88.2 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 176.4 | -133.5 | 78.1 | 0 | 0 | 0 | 111.3 | L37 C38 L39 H44 L45 A80 L84 | L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 PolarHBondContact O-N 2.89Å; C38-L41 CarbonylContact O-C 3.48Å; C38-L41 WeakPolarHBondContact O-CB 3.49Å; C38-L41 PolarHBondContact O-N 3.23Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.45Å; L41-H44 CarbonylContact O-C 3.44Å; L41-H44 PolarHBondContact O-N 3.31Å; L41-L45 HydrophobicContact CB-CD1 4.46Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CG-CD1 3.99Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 VanDerWaalsContact O-CD1 3.22Å; L41-L45 WeakPolarHBondContact O-CD1 3.27Å; L41-L45 PolarHBondContact O-N 3.12Å; L41-A80 HydrophobicContact CD2-CB 4.27Å; L41-L84 HydrophobicContact CD2-CD1 4.13Å |
| 42 | E | 64.9 | Low | 66.3 | Low | 132 Ų | 132 | 88.9 Ų | 88.9 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 179.4 | -172.7 | 165.7 | -176.1 | 0 | 0 | 111.1 | C38 L39 H44 L45 K46 | C38-E42 WeakPolarHBondContact O-CB 3.29Å; C38-E42 PolarHBondContact O-N 3.42Å; L39-E42 PolarHBondContact O-N 2.96Å; E42-H44 VanDerWaalsContact C-N 3.35Å; E42-H44 PolarHBondContact O-N 3.22Å; E42-L45 PolarHBondContact O-N 3.43Å; E42-K46 VanDerWaalsContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CB 3Å; E42-K46 PolarHBondContact O-N 2.81Å |
| 43 | G | 66.1 | Low | 65.6 | Low | 40 Ų | 40 | 88.4 Ų | 88.4 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L39 T47 | L39-G43 PolarHBondContact O-N 3.45Å; G43-T47 PolarHBondContact O-N 3.15Å; G43-T47 VanDerWaalsContact O-N 3.16Å; G43-T47 PolarHBondContact O-OG1 3.43Å |
| 44 | H | 59.1 | Low | 64.9 | Low | 119 Ų | 119 | 92.5 Ų | 92.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.2 | -40.7 | 174.5 | -85.4 | -35.3 | 0 | 0 | 0 | 113.3 | S40 L41 E42 K46 T47 L48 | S40-H44 PolarHBondContact O-N 2.86Å; L41-H44 CarbonylContact O-C 3.44Å; L41-H44 PolarHBondContact O-N 3.31Å; E42-H44 VanDerWaalsContact C-N 3.35Å; E42-H44 PolarHBondContact O-N 3.22Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.92Å; H44-T47 PolarHBondContact O-N 3.13Å; H44-L48 VanDerWaalsContact O-CB 3.3Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.34Å; H44-L48 PolarHBondContact O-N 3.43Å |
| 45 | L | 56.2 | Low | 64.2 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 38% | 0.382 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 177.5 | -103.8 | 83.1 | 0 | 0 | 0 | 110.7 | L41 E42 L48 L49 | L41-L45 HydrophobicContact CB-CD1 4.46Å; L41-L45 HydrophobicContact CD2-CD1 4.17Å; L41-L45 HydrophobicContact CG-CD1 3.99Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 VanDerWaalsContact O-CD1 3.22Å; L41-L45 WeakPolarHBondContact O-CD1 3.27Å; L41-L45 PolarHBondContact O-N 3.12Å; E42-L45 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.48Å |
| 46 | K | 63.3 | Low | 63.2 | Low | 162 Ų | 162 | 92.6 Ų | 92.6 | 70% | 0.704 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 177.7 | -167.6 | 166.9 | -175.4 | 170.2 | 0 | 111.1 | E42 H44 L49 D50 | E42-K46 VanDerWaalsContact O-CB 3.3Å; E42-K46 WeakPolarHBondContact O-CB 3Å; E42-K46 PolarHBondContact O-N 2.81Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.92Å; K46-L49 PolarHBondContact O-N 2.93Å; K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.3Å; K46-D50 PolarHBondContact O-N 3.39Å |
| 47 | T | 66 | Low | 62.3 | Low | 86 Ų | 86 | 92.8 Ų | 92.8 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.9 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | G43 H44 S51 | G43-T47 PolarHBondContact O-N 3.15Å; G43-T47 VanDerWaalsContact O-N 3.16Å; G43-T47 PolarHBondContact O-OG1 3.43Å; H44-T47 PolarHBondContact O-N 3.13Å; T47-S51 WeakPolarHBondContact O-CB 3.38Å; T47-S51 PolarHBondContact O-N 2.88Å; T47-S51 PolarHBondContact O-OG 3.46Å |
| 48 | L | 58.3 | Low | 61.3 | Low | 116 Ų | 116 | 91.5 Ų | 91.5 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 177.4 | -74.5 | 170 | 0 | 0 | 0 | 111.5 | H44 L45 S51 F52 | H44-L48 VanDerWaalsContact O-CB 3.3Å; H44-L48 WeakPolarHBondContact O-CB 3.31Å; H44-L48 WeakPolarHBondContact O-CG 3.34Å; H44-L48 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.45Å; L48-S51 CarbonylContact O-C 3.54Å; L48-S51 WeakPolarHBondContact O-CB 3.44Å; L48-S51 PolarHBondContact O-N 3.44Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3.43Å |
| 49 | L | 63 | Low | 60.7 | Low | 127 Ų | 127 | 92.6 Ų | 92.6 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 178.8 | -172 | 66.6 | 0 | 0 | 0 | 111.3 | L45 K46 F52 S53 | L45-L49 WeakPolarHBondContact O-CB 3.46Å; L45-L49 PolarHBondContact O-N 3.48Å; K46-L49 PolarHBondContact O-N 2.93Å; L49-F52 PolarHBondContact O-N 2.88Å; L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.26Å |
| 50 | D | 67.2 | Low | 59.9 | Low | 115 Ų | 115 | 95 Ų | 95 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 174.2 | -161.4 | 39.1 | 0 | 0 | 0 | 111 | K46 F52 S53 Q54 | K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.3Å; K46-D50 PolarHBondContact O-N 3.39Å; D50-F52 VanDerWaalsContact C-N 3.25Å; D50-F52 PolarHBondContact O-N 2.96Å; D50-S53 WeakPolarHBondContact O-CB 3.17Å; D50-S53 PolarHBondContact O-N 2.87Å; D50-Q54 WeakPolarHBondContact O-CB 3.4Å; D50-Q54 PolarHBondContact O-N 3.17Å |
| 51 | S | 63.7 | Low | 59.1 | Low | 61 Ų | 61 | 97 Ų | 97 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 171.4 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | T47 L48 S55 | T47-S51 WeakPolarHBondContact O-CB 3.38Å; T47-S51 PolarHBondContact O-N 2.88Å; T47-S51 PolarHBondContact O-OG 3.46Å; L48-S51 CarbonylContact O-C 3.54Å; L48-S51 WeakPolarHBondContact O-CB 3.44Å; L48-S51 PolarHBondContact O-N 3.44Å; S51-S55 VanDerWaalsContact O-CB 3.3Å; S51-S55 WeakPolarHBondContact O-CB 3.4Å; S51-S55 PolarHBondContact O-N 3.43Å; S51-S55 PolarHBondContact O-OG 3.17Å |
| 52 | F | 58.9 | Low | 58.4 | Low | 97 Ų | 97 | 98.1 Ų | 98.1 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.7 | -37.4 | 178.7 | -148.5 | -87.9 | 0 | 0 | 0 | 112.7 | L48 L49 D50 Q54 S55 N56 V73 | L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 3.43Å; L49-F52 PolarHBondContact O-N 2.88Å; D50-F52 VanDerWaalsContact C-N 3.25Å; D50-F52 PolarHBondContact O-N 2.96Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-S55 WeakPolarHBondContact CA-OG 3.36Å; F52-S55 PolarHBondContact O-N 3.34Å; F52-S55 PolarHBondContact O-OG 2.95Å; F52-S55 VanDerWaalsContact O-OG 3.12Å; F52-N56 VanDerWaalsContact O-CB 3.24Å; F52-N56 WeakPolarHBondContact O-CB 3.24Å; F52-N56 PolarHBondContact O-N 3.15Å; F52-V73 HydrophobicContact CD2-CG1 4.2Å; F52-V73 HydrophobicContact CE2-CB 4.06Å; F52-V73 HydrophobicContact CE2-CG1 3.69Å; F52-V73 HydrophobicContact CE2-CG2 4.25Å |
| 53 | S | 59 | Low | 57.3 | Low | 62 Ų | 62 | 98 Ų | 98 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.8 | -49.6 | 168.7 | 155.9 | 0 | 0 | 0 | 0 | 109.8 | L49 D50 N56 I57 | L49-S53 WeakPolarHBondContact O-CB 3.29Å; L49-S53 PolarHBondContact O-N 3.26Å; D50-S53 WeakPolarHBondContact O-CB 3.17Å; D50-S53 PolarHBondContact O-N 2.87Å; S53-N56 PolarHBondContact O-N 2.87Å; S53-I57 VanDerWaalsContact O-CG1 3.3Å; S53-I57 WeakPolarHBondContact O-CG1 3.44Å; S53-I57 PolarHBondContact O-N 3.11Å; S53-I57 VanDerWaalsContact O-N 3.15Å |
| 54 | Q | 59.8 | Low | 56.5 | Low | 134 Ų | 134 | 101.2 Ų | 101.2 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.3 | -44 | 178.2 | -166.6 | 175 | 48.3 | 0 | 0 | 111.7 | D50 F52 N56 I57 V58 | D50-Q54 WeakPolarHBondContact O-CB 3.4Å; D50-Q54 PolarHBondContact O-N 3.17Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 3.05Å; Q54-I57 PolarHBondContact O-N 3.4Å; Q54-V58 VanDerWaalsContact O-CG2 3.25Å; Q54-V58 WeakPolarHBondContact O-CG2 3.5Å; Q54-V58 PolarHBondContact O-N 3.37Å |
| 55 | S | 58.2 | Low | 55.9 | Low | 49 Ų | 49 | 102.7 Ų | 102.7 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.8 | -38.4 | 179.1 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | S51 F52 I57 V58 S59 | S51-S55 VanDerWaalsContact O-CB 3.3Å; S51-S55 WeakPolarHBondContact O-CB 3.4Å; S51-S55 PolarHBondContact O-N 3.43Å; S51-S55 PolarHBondContact O-OG 3.17Å; F52-S55 WeakPolarHBondContact CA-OG 3.36Å; F52-S55 PolarHBondContact O-N 3.34Å; F52-S55 PolarHBondContact O-OG 2.95Å; F52-S55 VanDerWaalsContact O-OG 3.12Å; S55-I57 PolarHBondContact O-N 3.12Å; S55-V58 CarbonylContact O-C 3.6Å; S55-V58 PolarHBondContact O-N 2.95Å; S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.34Å; S55-S59 PolarHBondContact O-N 3.43Å; S55-S59 PolarHBondContact O-OG 2.96Å |
| 56 | N | 51.8 | Low | 55.4 | Low | 84 Ų | 84 | 107.5 Ų | 107.5 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.9 | -33.4 | 179.2 | -161.8 | 33.3 | 0 | 0 | 0 | 112.1 | F52 S53 Q54 Q60 | F52-N56 VanDerWaalsContact O-CB 3.24Å; F52-N56 WeakPolarHBondContact O-CB 3.24Å; F52-N56 PolarHBondContact O-N 3.15Å; S53-N56 PolarHBondContact O-N 2.87Å; Q54-N56 PolarHBondContact O-N 3.05Å; N56-Q60 WeakPolarHBondContact O-CB 3.41Å; N56-Q60 WeakPolarHBondContact O-CG 3.44Å; N56-Q60 PolarHBondContact O-N 3.34Å |
| 57 | I | 56.1 | Low | 54.7 | Low | 107 Ų | 107 | 106.8 Ų | 106.8 | 55% | 0.549 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.7 | -43.2 | 171.3 | -65.3 | 166.1 | 0 | 0 | 0 | 110.3 | S53 Q54 S55 T61 | S53-I57 VanDerWaalsContact O-CG1 3.3Å; S53-I57 WeakPolarHBondContact O-CG1 3.44Å; S53-I57 PolarHBondContact O-N 3.11Å; S53-I57 VanDerWaalsContact O-N 3.15Å; Q54-I57 PolarHBondContact O-N 3.4Å; S55-I57 PolarHBondContact O-N 3.12Å; I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3.22Å; I57-T61 PolarHBondContact O-OG1 3.39Å |
| 58 | V | 53.6 | Low | 53.8 | Low | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.6 | -40.6 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | Q54 S55 T61 S62 | Q54-V58 VanDerWaalsContact O-CG2 3.25Å; Q54-V58 WeakPolarHBondContact O-CG2 3.5Å; Q54-V58 PolarHBondContact O-N 3.37Å; S55-V58 CarbonylContact O-C 3.6Å; S55-V58 PolarHBondContact O-N 2.95Å; V58-T61 CarbonylContact O-C 3.56Å; V58-T61 PolarHBondContact O-N 2.92Å; V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3Å |
| 59 | S | 50.1 | Low | 53.5 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73 | -32.1 | 178.8 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | S55 T61 S62 | S55-S59 VanDerWaalsContact O-CB 3.29Å; S55-S59 WeakPolarHBondContact O-CB 3.34Å; S55-S59 PolarHBondContact O-N 3.43Å; S55-S59 PolarHBondContact O-OG 2.96Å; S59-T61 VanDerWaalsContact C-N 3.27Å; S59-S62 CarbonylContact O-C 3.51Å; S59-S62 VanDerWaalsContact O-O 3.13Å |
| 60 | Q | 50.1 | Low | 53.1 | Low | 157 Ų | 157 | 102.6 Ų | 102.6 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.4 | -29.6 | 169.8 | -79.9 | -175.6 | 22.4 | 0 | 0 | 112.2 | N56 | N56-Q60 WeakPolarHBondContact O-CB 3.41Å; N56-Q60 WeakPolarHBondContact O-CG 3.44Å; N56-Q60 PolarHBondContact O-N 3.34Å |
| 61 | T | 52.1 | Low | 52.3 | Low | 114 Ų | 114 | 102.1 Ų | 102.1 | 70% | 0.699 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83.9 | -25.2 | 177.9 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | I57 V58 S59 | I57-T61 WeakPolarHBondContact O-CB 3.32Å; I57-T61 PolarHBondContact O-N 3.22Å; I57-T61 PolarHBondContact O-OG1 3.39Å; V58-T61 CarbonylContact O-C 3.56Å; V58-T61 PolarHBondContact O-N 2.92Å; S59-T61 VanDerWaalsContact C-N 3.27Å |
| 62 | S | 48 | Very low | 51.7 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -118.1 | 88.3 | 176.9 | -71 | 0 | 0 | 0 | 0 | 111.1 | V58 S59 | V58-S62 WeakPolarHBondContact O-CB 3.45Å; V58-S62 PolarHBondContact O-N 3Å; S59-S62 CarbonylContact O-C 3.51Å; S59-S62 VanDerWaalsContact O-O 3.13Å |
| 63 | N | 43.6 | Very low | 51.2 | Low | 131 Ų | 131 | 104.9 Ų | 104.9 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | trans | 86.6 | 106 | 150.1 | -60.4 | -12.6 | 0 | 0 | 0 | 118.7 | ||||
| 64 | S | 48.7 | Very low | 50.9 | Low | 107 Ų | 107 | 109.4 Ų | 109.4 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | S | Bend | -29.6 | 130.4 | 126.8 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | |||
| 65 | N | 46.2 | Very low | 50.5 | Low | 149 Ų | 149 | 106 Ų | 106 | 80% | 0.797 | 61% | 0.611 | S | S | * | * | trans | 84.1 | 79.3 | -177 | -54.9 | -16.7 | 0 | 0 | 0 | 114.7 | ||||
| 66 | E | 44.9 | Very low | 50.3 | Low | 174 Ų | 174 | 109.5 Ų | 109.5 | 81% | 0.813 | 63% | 0.626 | S | S | * | * | trans | -176.8 | 91 | 132 | -101.5 | 173.6 | -165.1 | 0 | 0 | 109.8 | G68 | E66-G68 PolarHBondContact O-N 2.92Š| ||
| 67 | T | 48.6 | Very low | 50.3 | Low | 147 Ų | 147 | 110.7 Ų | 110.7 | 90% | 0.902 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 26.4 | 176.3 | -46.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 68 | G | 47.9 | Very low | 50.3 | Low | 49 Ų | 49 | 110 Ų | 110 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -29.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | E66 | E66-G68 PolarHBondContact O-N 2.92Š|
| 69 | N | 52.4 | Low | 50.3 | Low | 114 Ų | 114 | 115 Ų | 115 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -124.1 | 4 | -152.7 | -47.4 | 7.4 | 0 | 0 | 0 | 114.3 | T71 | N69-T71 PolarHBondContact O-N 3.4Š|
| 70 | S | 53.6 | Low | 50.6 | Low | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.2 | -11.6 | -172.4 | 57.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 71 | T | 50.2 | Low | 50.9 | Low | 105 Ų | 105 | 109.3 Ų | 109.3 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -80.9 | -36.2 | 178.5 | 30.9 | 0 | 0 | 0 | 0 | 113.3 | N69 V73 K74 A75 | N69-T71 PolarHBondContact O-N 3.4Å; T71-V73 PolarHBondContact O-N 3.44Å; T71-K74 PolarHBondContact O-N 2.7Å; T71-A75 PolarHBondContact O-N 2.82Å |
| 72 | E | 51.9 | Low | 51.3 | Low | 148 Ų | 148 | 109.1 Ų | 109.1 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | -177.9 | -76.8 | -170 | 147.6 | 0 | 0 | 112.6 | A75 L76 | E72-A75 WeakPolarHBondContact O-CB 3.32Å; E72-A75 PolarHBondContact O-N 3.46Å; E72-L76 PolarHBondContact O-N 3.37Å |
| 73 | V | 49.3 | Very low | 51.8 | Low | 67 Ų | 67 | 108.7 Ų | 108.7 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.1 | -32.4 | -176.5 | -163.9 | 0 | 0 | 0 | 0 | 112.2 | F52 T71 A75 L76 L77 | F52-V73 HydrophobicContact CD2-CG1 4.2Å; F52-V73 HydrophobicContact CE2-CB 4.06Å; F52-V73 HydrophobicContact CE2-CG1 3.69Å; F52-V73 HydrophobicContact CE2-CG2 4.25Å; T71-V73 PolarHBondContact O-N 3.44Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.29Å; V73-L76 PolarHBondContact O-N 2.86Å; V73-L77 PolarHBondContact O-N 3.5Å |
| 74 | K | 51.5 | Low | 52.7 | Low | 157 Ų | 157 | 105.7 Ų | 105.7 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.6 | -36 | 172.9 | -72.9 | -176.9 | 179.1 | 177.8 | 0 | 111.5 | T71 V78 | T71-K74 PolarHBondContact O-N 2.7Å; K74-V78 WeakPolarHBondContact O-CG2 3.36Å; K74-V78 PolarHBondContact O-N 2.85Å |
| 75 | A | 52.5 | Low | 53.5 | Low | 62 Ų | 62 | 107 Ų | 107 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T71 E72 V73 L77 V78 Y79 | T71-A75 PolarHBondContact O-N 2.82Å; E72-A75 WeakPolarHBondContact O-CB 3.32Å; E72-A75 PolarHBondContact O-N 3.46Å; V73-A75 VanDerWaalsContact C-N 3.28Å; V73-A75 PolarHBondContact O-N 3.29Å; A75-L77 PolarHBondContact O-N 3.46Å; A75-V78 PolarHBondContact O-N 3.32Å; A75-Y79 PolarHBondContact O-N 2.88Å |
| 76 | L | 52.6 | Low | 54.6 | Low | 123 Ų | 123 | 102.3 Ų | 102.3 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -41.1 | 177.3 | -103.7 | 161.6 | 0 | 0 | 0 | 113 | E72 V73 Y79 A80 | E72-L76 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 2.86Å; L76-Y79 PolarHBondContact O-N 3.18Å; L76-A80 PolarHBondContact O-N 3.45Å |
| 77 | L | 52.3 | Low | 55.7 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -38.8 | 178.5 | -163.1 | 133.8 | 0 | 0 | 0 | 111.8 | V73 A75 Y79 A80 V81 | V73-L77 PolarHBondContact O-N 3.5Å; A75-L77 PolarHBondContact O-N 3.46Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 2.67Å; L77-A80 PolarHBondContact O-N 2.86Å; L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.47Å |
| 78 | V | 55.6 | Low | 56.7 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -38.7 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | K74 A75 A80 V81 F82 | K74-V78 WeakPolarHBondContact O-CG2 3.36Å; K74-V78 PolarHBondContact O-N 2.85Å; A75-V78 PolarHBondContact O-N 3.32Å; V78-A80 PolarHBondContact O-N 3.02Å; V78-V81 PolarHBondContact O-N 3.36Å; V78-F82 PolarHBondContact O-N 2.98Å; V78-F82 VanDerWaalsContact O-N 3.13Å |
| 79 | Y | 54.2 | Low | 57.9 | Low | 185 Ų | 185 | 95.2 Ų | 95.2 | 73% | 0.725 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -34.5 | 177.7 | -160.7 | -97 | 0 | 0 | 0 | 112.8 | A75 L76 L77 P83 | A75-Y79 PolarHBondContact O-N 2.88Å; L76-Y79 PolarHBondContact O-N 3.18Å; L77-Y79 VanDerWaalsContact C-N 3.29Å; L77-Y79 PolarHBondContact O-N 2.67Å; Y79-P83 WeakPolarHBondContact O-CD 3.27Å |
| 80 | A | 56.4 | Low | 58.9 | Low | 30 Ų | 30 | 93.5 Ų | 93.5 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -73.1 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L41 L76 L77 V78 P83 | L41-A80 HydrophobicContact CD2-CB 4.27Å; L76-A80 PolarHBondContact O-N 3.45Å; L77-A80 PolarHBondContact O-N 2.86Å; V78-A80 PolarHBondContact O-N 3.02Å; A80-P83 WeakPolarHBondContact O-CD 3.34Å; A80-P83 WeakPolarHBondContact O-CG 3.35Å |
| 81 | V | 56.8 | Low | 59.6 | Low | 79 Ų | 79 | 91.6 Ų | 91.6 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.5 | -24.5 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | L77 V78 L84 W85 | L77-V81 WeakPolarHBondContact O-CG2 3.49Å; L77-V81 PolarHBondContact O-N 3.47Å; V78-V81 PolarHBondContact O-N 3.36Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.32Å; V81-L84 VanDerWaalsContact O-N 3.15Å; V81-W85 PolarHBondContact O-N 3.34Å |
| 82 | F | 59.6 | Low | 60.6 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | -177.9 | -143.1 | -94.9 | 0 | 0 | 0 | 115.9 | V78 L84 W85 T86 | V78-F82 PolarHBondContact O-N 2.98Å; V78-F82 VanDerWaalsContact O-N 3.13Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.96Å; F82-W85 VanDerWaalsContact C-CD1 3.48Å; F82-W85 VanDerWaalsContact CA-CD1 3.43Å; F82-W85 AromaticContact CD1-NE1 3.73Å; F82-W85 HydrophobicContact CD2-CZ2 4.4Å; F82-W85 AromaticContact CD2-NE1 3.43Å; F82-W85 AromaticContact CE1-CZ2 3.96Å; F82-W85 HydrophobicContact CE1-CZ2 3.96Å; F82-W85 AromaticContact CE1-NE1 4Å; F82-W85 AromaticContact CE2-CZ2 3.78Å; F82-W85 HydrophobicContact CE2-CZ2 3.78Å; F82-W85 AromaticContact CE2-NE1 3.71Å; F82-W85 AromaticContact CG-NE1 3.46Å; F82-W85 AromaticContact CZ-CZ2 3.55Å; F82-W85 HydrophobicContact CZ-CZ2 3.55Å; F82-W85 PolarHBondContact O-NE1 3.43Å; F82-T86 HydrophobicContact CD1-CG2 4.23Å; F82-T86 HydrophobicContact CE1-CG2 4.22Å; F82-T86 WeakPolarHBondContact O-CG2 3.37Å; F82-T86 PolarHBondContact O-N 3.25Å; F82-T86 PolarHBondContact O-OG1 3.17Å |
| 83 | P | 59.6 | Low | 61.6 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 41% | 0.409 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -25.5 | 175.7 | 22.8 | -31.6 | 0 | 0 | 0 | 112.9 | Y79 A80 T86 T87 | Y79-P83 WeakPolarHBondContact O-CD 3.27Å; A80-P83 WeakPolarHBondContact O-CD 3.34Å; A80-P83 WeakPolarHBondContact O-CG 3.35Å; P83-T86 WeakPolarHBondContact CA-OG1 3.26Å; P83-T86 PolarHBondContact O-OG1 3.46Å; P83-T86 VanDerWaalsContact O-OG1 3.12Å; P83-T87 WeakPolarHBondContact O-CB 3.32Å; P83-T87 WeakPolarHBondContact O-CG2 3.22Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 VanDerWaalsContact O-N 3.11Å; P83-T87 PolarHBondContact O-OG1 3.02Å |
| 84 | L | 62.3 | Low | 62.6 | Low | 67 Ų | 67 | 90.5 Ų | 90.5 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -49.1 | -178.3 | -103.7 | 148.5 | 0 | 0 | 0 | 112.2 | L41 V81 F82 T87 M88 | L41-L84 HydrophobicContact CD2-CD1 4.13Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.32Å; V81-L84 VanDerWaalsContact O-N 3.15Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.96Å; L84-T87 PolarHBondContact O-OG1 2.9Å; L84-T87 VanDerWaalsContact O-OG1 3.05Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 2.87Å; L84-M88 VanDerWaalsContact O-N 3.17Å |
| 85 | W | 65.3 | Low | 63.4 | Low | 134 Ų | 134 | 86 Ų | 86 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | -180 | 76.2 | -74.2 | 0 | 0 | 0 | 112.3 | V81 F82 T87 M88 V89 | V81-W85 PolarHBondContact O-N 3.34Å; F82-W85 VanDerWaalsContact C-CD1 3.48Å; F82-W85 VanDerWaalsContact CA-CD1 3.43Å; F82-W85 AromaticContact CD1-NE1 3.73Å; F82-W85 HydrophobicContact CD2-CZ2 4.4Å; F82-W85 AromaticContact CD2-NE1 3.43Å; F82-W85 AromaticContact CE1-CZ2 3.96Å; F82-W85 HydrophobicContact CE1-CZ2 3.96Å; F82-W85 AromaticContact CE1-NE1 4Å; F82-W85 AromaticContact CE2-CZ2 3.78Å; F82-W85 HydrophobicContact CE2-CZ2 3.78Å; F82-W85 AromaticContact CE2-NE1 3.71Å; F82-W85 AromaticContact CG-NE1 3.46Å; F82-W85 AromaticContact CZ-CZ2 3.55Å; F82-W85 HydrophobicContact CZ-CZ2 3.55Å; F82-W85 PolarHBondContact O-NE1 3.43Å; W85-T87 VanDerWaalsContact C-N 3.31Å; W85-T87 PolarHBondContact O-N 3.47Å; W85-M88 WeakPolarHBondContact O-CB 3.28Å; W85-M88 PolarHBondContact O-N 3.35Å; W85-V89 HydrophobicContact CE3-CG2 4.3Å; W85-V89 WeakPolarHBondContact O-CG2 3.3Å; W85-V89 PolarHBondContact O-N 3.21Å |
| 86 | T | 68.5 | Low | 64.1 | Low | 51 Ų | 51 | 86.2 Ų | 86.2 | 31% | 0.313 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | F82 P83 V89 V90 | F82-T86 HydrophobicContact CD1-CG2 4.23Å; F82-T86 HydrophobicContact CE1-CG2 4.22Å; F82-T86 WeakPolarHBondContact O-CG2 3.37Å; F82-T86 PolarHBondContact O-N 3.25Å; F82-T86 PolarHBondContact O-OG1 3.17Å; P83-T86 WeakPolarHBondContact CA-OG1 3.26Å; P83-T86 PolarHBondContact O-OG1 3.46Å; P83-T86 VanDerWaalsContact O-OG1 3.12Å; T86-V89 PolarHBondContact O-N 2.84Å; T86-V90 VanDerWaalsContact O-CG2 3.26Å; T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.22Å |
| 87 | T | 69.2 | Low | 64.6 | Low | 58 Ų | 58 | 82.4 Ų | 82.4 | 36% | 0.356 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | Q34 P83 L84 W85 V90 C91 | Q34-T87 VanDerWaalsContact NE2-CB 3.32Å; Q34-T87 PolarHBondContact NE2-OG1 3.36Å; Q34-T87 VanDerWaalsContact NE2-OG1 3.15Å; P83-T87 WeakPolarHBondContact O-CB 3.32Å; P83-T87 WeakPolarHBondContact O-CG2 3.22Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-T87 VanDerWaalsContact O-N 3.11Å; P83-T87 PolarHBondContact O-OG1 3.02Å; L84-T87 PolarHBondContact O-OG1 2.9Å; L84-T87 VanDerWaalsContact O-OG1 3.05Å; W85-T87 VanDerWaalsContact C-N 3.31Å; W85-T87 PolarHBondContact O-N 3.47Å; T87-V90 PolarHBondContact O-N 3.22Å; T87-C91 WeakPolarHBondContact O-CB 3.35Å; T87-C91 PolarHBondContact O-N 3.45Å; T87-C91 PolarHBondContact O-SG 3.5Å; T87-C91 VanDerWaalsContact O-SG 3.34Å |
| 88 | M | 68.5 | Low | 65 | Low | 98 Ų | 98 | 80.8 Ų | 80.8 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 171.7 | -78.9 | -94.1 | 75.6 | 0 | 0 | 112.3 | L84 W85 C91 L92 | L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 2.87Å; L84-M88 VanDerWaalsContact O-N 3.17Å; W85-M88 WeakPolarHBondContact O-CB 3.28Å; W85-M88 PolarHBondContact O-N 3.35Å; M88-C91 PolarHBondContact O-N 3.49Å; M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.47Å |
| 89 | V | 73.1 | Confident | 65.3 | Low | 65 Ų | 65 | 82.3 Ų | 82.3 | 39% | 0.394 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | W85 T86 C91 L92 I93 | W85-V89 HydrophobicContact CE3-CG2 4.3Å; W85-V89 WeakPolarHBondContact O-CG2 3.3Å; W85-V89 PolarHBondContact O-N 3.21Å; T86-V89 PolarHBondContact O-N 2.84Å; V89-C91 VanDerWaalsContact C-N 3.35Å; V89-C91 PolarHBondContact O-N 2.95Å; V89-L92 PolarHBondContact O-N 2.94Å; V89-I93 HydrophobicContact CG1-CD1 3.79Å; V89-I93 HydrophobicContact CG1-CG1 4.37Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 3.43Å |
| 90 | V | 73.3 | Confident | 65.5 | Low | 79 Ų | 79 | 78.8 Ų | 78.8 | 48% | 0.479 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | T86 T87 I93 I94 | T86-V90 VanDerWaalsContact O-CG2 3.26Å; T86-V90 WeakPolarHBondContact O-CG2 3.43Å; T86-V90 PolarHBondContact O-N 3.22Å; T87-V90 PolarHBondContact O-N 3.22Å; V90-I93 PolarHBondContact O-N 3.48Å; V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.48Å; V90-I94 VanDerWaalsContact O-CG1 3.29Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.98Å |
| 91 | C | 68.2 | Low | 65.2 | Low | 39 Ų | 39 | 83 Ų | 83 | 26% | 0.264 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.5 | -77.1 | 0 | 0 | 0 | 0 | 111.9 | T87 M88 V89 I94 V95 | T87-C91 WeakPolarHBondContact O-CB 3.35Å; T87-C91 PolarHBondContact O-N 3.45Å; T87-C91 PolarHBondContact O-SG 3.5Å; T87-C91 VanDerWaalsContact O-SG 3.34Å; M88-C91 PolarHBondContact O-N 3.49Å; V89-C91 VanDerWaalsContact C-N 3.35Å; V89-C91 PolarHBondContact O-N 2.95Å; C91-I94 PolarHBondContact O-N 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.48Å; C91-V95 PolarHBondContact O-N 3.2Å |
| 92 | L | 70.9 | Confident | 64.9 | Low | 110 Ų | 110 | 82.6 Ų | 82.6 | 58% | 0.576 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 176.3 | -73.9 | 171.8 | 0 | 0 | 0 | 111.9 | M88 V89 I94 V95 C96 | M88-L92 WeakPolarHBondContact O-CG 3.43Å; M88-L92 PolarHBondContact O-N 3.47Å; V89-L92 PolarHBondContact O-N 2.94Å; L92-I94 VanDerWaalsContact C-N 3.34Å; L92-I94 PolarHBondContact O-N 2.95Å; L92-V95 PolarHBondContact O-N 3.44Å; L92-C96 VanDerWaalsContact O-CB 3.22Å; L92-C96 WeakPolarHBondContact O-CB 3.26Å; L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 3.34Å |
| 93 | I | 73.8 | Confident | 64.4 | Low | 105 Ų | 105 | 81.8 Ų | 81.8 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 177.4 | -69.2 | 167.1 | 0 | 0 | 0 | 110.9 | V89 V90 C96 A97 | V89-I93 HydrophobicContact CG1-CD1 3.79Å; V89-I93 HydrophobicContact CG1-CG1 4.37Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.14Å; V89-I93 PolarHBondContact O-N 3.43Å; V90-I93 PolarHBondContact O-N 3.48Å; I93-C96 PolarHBondContact O-N 3.41Å; I93-A97 WeakPolarHBondContact O-CB 3.29Å; I93-A97 PolarHBondContact O-N 3.1Å |
| 94 | I | 70.8 | Confident | 63.7 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 179.4 | -66.8 | 165.4 | 0 | 0 | 0 | 110.7 | V90 C91 L92 A97 Q98 | V90-I94 HydrophobicContact CG1-CD1 3.84Å; V90-I94 HydrophobicContact CG1-CG1 4.48Å; V90-I94 VanDerWaalsContact O-CG1 3.29Å; V90-I94 WeakPolarHBondContact O-CG1 3.29Å; V90-I94 PolarHBondContact O-N 2.98Å; C91-I94 PolarHBondContact O-N 3.29Å; L92-I94 VanDerWaalsContact C-N 3.34Å; L92-I94 PolarHBondContact O-N 2.95Å; I94-A97 PolarHBondContact O-N 3.3Å; I94-Q98 WeakPolarHBondContact O-CG 3.4Å; I94-Q98 PolarHBondContact O-N 2.85Å |
| 95 | V | 68.1 | Low | 62.9 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | C91 L92 A97 Q98 I99 | C91-V95 WeakPolarHBondContact O-CG2 3.48Å; C91-V95 PolarHBondContact O-N 3.2Å; L92-V95 PolarHBondContact O-N 3.44Å; V95-A97 VanDerWaalsContact C-N 3.34Å; V95-A97 PolarHBondContact O-N 2.78Å; V95-Q98 PolarHBondContact O-N 2.76Å; V95-I99 HydrophobicContact CG1-CD1 3.94Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.44Å |
| 96 | C | 66.6 | Low | 62 | Low | 67 Ų | 67 | 83.4 Ų | 83.4 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.7 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | L92 I93 Q98 I99 V100 | L92-C96 VanDerWaalsContact O-CB 3.22Å; L92-C96 WeakPolarHBondContact O-CB 3.26Å; L92-C96 PolarHBondContact O-N 3.42Å; L92-C96 PolarHBondContact O-SG 3.34Å; I93-C96 PolarHBondContact O-N 3.41Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.29Å; C96-I99 PolarHBondContact O-N 3.22Å; C96-V100 WeakPolarHBondContact O-CB 3.34Å; C96-V100 VanDerWaalsContact O-CG2 3.28Å; C96-V100 WeakPolarHBondContact O-CG2 3.3Å; C96-V100 PolarHBondContact O-N 3.3Å |
| 97 | A | 64.2 | Low | 60.6 | Low | 44 Ų | 44 | 86.3 Ų | 86.3 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I93 I94 V95 N101 | I93-A97 WeakPolarHBondContact O-CB 3.29Å; I93-A97 PolarHBondContact O-N 3.1Å; I94-A97 PolarHBondContact O-N 3.3Å; V95-A97 VanDerWaalsContact C-N 3.34Å; V95-A97 PolarHBondContact O-N 2.78Å; A97-N101 CarbonylContact O-C 3.35Å; A97-N101 VanDerWaalsContact O-CA 3.31Å; A97-N101 WeakPolarHBondContact O-CA 3.31Å; A97-N101 VanDerWaalsContact O-CB 3.29Å; A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 PolarHBondContact O-N 3.15Å |
| 98 | Q | 60.6 | Low | 59.1 | Low | 75 Ų | 75 | 94.9 Ų | 94.9 | 35% | 0.35 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.7 | -30.9 | 174 | -70.9 | 178 | 10 | 0 | 0 | 112.9 | I94 V95 C96 N101 P102 | I94-Q98 WeakPolarHBondContact O-CG 3.4Å; I94-Q98 PolarHBondContact O-N 2.85Å; V95-Q98 PolarHBondContact O-N 2.76Å; C96-Q98 VanDerWaalsContact C-N 3.31Å; C96-Q98 PolarHBondContact O-N 3.29Å; Q98-N101 CarbonylContact O-C 3.6Å; Q98-P102 VanDerWaalsContact O-CA 3.3Å; Q98-P102 WeakPolarHBondContact O-CA 3.28Å |
| 99 | I | 62.6 | Low | 57.8 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 65% | 0.646 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.4 | -42.7 | 174.8 | -65.3 | 164 | 0 | 0 | 0 | 110.9 | V95 C96 | V95-I99 HydrophobicContact CG1-CD1 3.94Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.44Å; C96-I99 PolarHBondContact O-N 3.22Å |
| 100 | V | 58.2 | Low | 56.5 | Low | 110 Ų | 110 | 99 Ų | 99 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.8 | -39.7 | -177.5 | 175 | 0 | 0 | 0 | 0 | 111.5 | C96 P102 | C96-V100 WeakPolarHBondContact O-CB 3.34Å; C96-V100 VanDerWaalsContact O-CG2 3.28Å; C96-V100 WeakPolarHBondContact O-CG2 3.3Å; C96-V100 PolarHBondContact O-N 3.3Å; V100-P102 VanDerWaalsContact O-CD 3.27Å; V100-P102 WeakPolarHBondContact O-CD 3.27Å |
| 101 | N | 48.5 | Very low | 55.1 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -114.4 | 75.1 | 171.6 | -59.2 | -49.9 | 0 | 0 | 0 | 108.3 | A97 Q98 | A97-N101 CarbonylContact O-C 3.35Å; A97-N101 VanDerWaalsContact O-CA 3.31Å; A97-N101 WeakPolarHBondContact O-CA 3.31Å; A97-N101 VanDerWaalsContact O-CB 3.29Å; A97-N101 WeakPolarHBondContact O-CB 3.15Å; A97-N101 PolarHBondContact O-N 3.15Å; Q98-N101 CarbonylContact O-C 3.6Å |
| 102 | P | 51 | Low | 53.7 | Low | 72 Ų | 72 | 107.1 Ų | 107.1 | 47% | 0.468 | 60% | 0.598 | S | S | . | * | trans | -54.1 | 135.1 | 163.6 | 25.6 | -31.9 | 0 | 0 | 0 | 106.3 | Q98 V100 S104 | Q98-P102 VanDerWaalsContact O-CA 3.3Å; Q98-P102 WeakPolarHBondContact O-CA 3.28Å; V100-P102 VanDerWaalsContact O-CD 3.27Å; V100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-S104 PolarHBondContact O-N 2.71Å | ||
| 103 | P | 48.6 | Very low | 52.1 | Low | 94 Ų | 94 | 108 Ų | 108 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | trans | -47.7 | 120.9 | 175.7 | 19.4 | -30.9 | 0 | 0 | 0 | 106.7 | T105 | P103-T105 PolarHBondContact O-N 2.92Š| ||
| 104 | S | 46.3 | Very low | 50.3 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 84% | 0.839 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -72.9 | 53.1 | -176.6 | 60.2 | 0 | 0 | 0 | 0 | 109.8 | P102 | P102-S104 PolarHBondContact O-N 2.71Š|
| 105 | T | 45.6 | Very low | 48.8 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -105.4 | 79.7 | 162.5 | 28.7 | 0 | 0 | 0 | 0 | 106.7 | P103 | P103-T105 PolarHBondContact O-N 2.92Š|
| 106 | G | 44.6 | Very low | 47.6 | Very low | 54 Ų | 54 | 117.9 Ų | 117.9 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 103.6 | -2.7 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | S109 | G106-S109 PolarHBondContact O-OG 3.29Š|
| 107 | I | 39.3 | Very low | 46.2 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 57% | 0.574 | 68% | 0.677 | S | S | * | * | trans | -97.9 | -8.2 | 178.6 | -46.3 | 177.6 | 0 | 0 | 0 | 113 | S109 F110 | I107-S109 PolarHBondContact O-N 2.96Å; I107-F110 HydrophobicContact CG2-CB 4.31Å; I107-F110 PolarHBondContact O-N 2.98Å | ||
| 108 | R | 38.1 | Very low | 45 | Very low | 237 Ų | 237 | 124.1 Ų | 124.1 | 89% | 0.894 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -10.7 | 173.3 | -150.3 | 179.4 | -172.8 | -164.8 | 2.2 | 113.3 | ||
| 109 | S | 42.6 | Very low | 44.2 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -11.7 | 172.2 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | G106 I107 | G106-S109 PolarHBondContact O-OG 3.29Å; I107-S109 PolarHBondContact O-N 2.96Å |
| 110 | F | 45.1 | Very low | 43.4 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -25.4 | -178.1 | -77.3 | -77.5 | 0 | 0 | 0 | 114.5 | I107 | I107-F110 HydrophobicContact CG2-CB 4.31Å; I107-F110 PolarHBondContact O-N 2.98Å |
| 111 | F | 44.1 | Very low | 42.8 | Very low | 190 Ų | 190 | 126.6 Ų | 126.6 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.7 | 1.1 | 177.4 | -89.2 | -81.3 | 0 | 0 | 0 | 115.2 | ||
| 112 | S | 38.2 | Very low | 42.7 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -111 | 57.1 | 167.5 | -171 | 0 | 0 | 0 | 0 | 110.6 | ||
| 113 | N | 38.1 | Very low | 42.5 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | trans | -148.3 | 39.4 | 157.3 | -134.9 | 3.7 | 0 | 0 | 0 | 112.4 | Q115 | N113-Q115 PolarHBondContact O-N 3.38Å; N113-Q115 VanDerWaalsContact O-N 3.15Å | ||
| 114 | N | 36.5 | Very low | 42.4 | Very low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 72% | 0.724 | S | S | * | * | trans | -78 | 66.7 | 147 | -80 | -9.9 | 0 | 0 | 0 | 107.9 | ||||
| 115 | Q | 38.7 | Very low | 42.6 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -139.3 | 124.3 | 158.9 | -150.1 | 154.5 | 11.1 | 0 | 0 | 107.6 | N113 C117 | N113-Q115 PolarHBondContact O-N 3.38Å; N113-Q115 VanDerWaalsContact O-N 3.15Å; Q115-C117 PolarHBondContact O-N 3.15Å |
| 116 | P | 42.5 | Very low | 42.7 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -65.1 | 132.6 | -152.2 | 21.8 | -31.9 | 0 | 0 | 0 | 112.3 | C118 | P116-C118 PolarHBondContact O-N 3.12Å; P116-C118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | C | 36.2 | Very low | 42.9 | Very low | 127 Ų | 127 | 148 Ų | 148 | 86% | 0.858 | 72% | 0.722 | S | S | * | * | trans | -48.2 | 114.5 | 156.8 | -84 | 0 | 0 | 0 | 0 | 109.2 | Q115 | Q115-C117 PolarHBondContact O-N 3.15Š| ||
| 118 | C | 40.8 | Very low | 43.2 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | 170.6 | 78.1 | 135.4 | -88.1 | 0 | 0 | 0 | 0 | 109.5 | P116 | P116-C118 PolarHBondContact O-N 3.12Å; P116-C118 VanDerWaalsContact O-N 3.12Å | ||
| 119 | D | 42.2 | Very low | 43.8 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 57% | 0.572 | 71% | 0.71 | S | S | * | * | trans | -137.8 | 26.9 | 160.4 | -142.6 | 17.4 | 0 | 0 | 0 | 114.8 | N121 E122 | D119-N121 VanDerWaalsContact C-N 3.25Å; D119-E122 VanDerWaalsContact OD1-CB 3.31Å; D119-E122 WeakPolarHBondContact OD1-CB 3.31Å | ||
| 120 | N | 46.7 | Very low | 43.8 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -79.3 | -9.6 | 167.3 | -81.8 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 121 | N | 46.3 | Very low | 44 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -81.7 | -28.4 | 175.6 | -76.9 | -27.4 | 0 | 0 | 0 | 112.6 | D119 R124 R125 | D119-N121 VanDerWaalsContact C-N 3.25Å; N121-R124 PolarHBondContact O-N 3.2Å; N121-R125 PolarHBondContact O-N 3.48Å |
| 122 | E | 45.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 53% | 0.533 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -67.5 | -46.2 | 177.4 | -146.2 | 88.4 | 177.9 | 0 | 0 | 111.5 | D119 R124 R125 Q126 | D119-E122 VanDerWaalsContact OD1-CB 3.31Å; D119-E122 WeakPolarHBondContact OD1-CB 3.31Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.25Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-Q126 PolarHBondContact O-N 3.03Å |
| 123 | R | 46.2 | Very low | 44.9 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.6 | -31 | 178.4 | -77.2 | -167.2 | -167.1 | -173.3 | 5 | 113.4 | R127 | R123-R127 PolarHBondContact O-N 3.08Å; R123-R127 VanDerWaalsContact O-N 3.08Å |
| 124 | R | 47.3 | Very low | 45.4 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.7 | -27.8 | 175.6 | -104.3 | -173.6 | -178.8 | -171.8 | 2.2 | 112.5 | N121 E122 K128 | N121-R124 PolarHBondContact O-N 3.2Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 3.25Å; R124-K128 PolarHBondContact O-N 3.14Å |
| 125 | R | 49.3 | Very low | 46.1 | Very low | 199 Ų | 199 | 130.8 Ų | 130.8 | 75% | 0.751 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.7 | -47 | 171.3 | -75.9 | -173.6 | 173.8 | -168.2 | -0.8 | 111 | N121 E122 R127 K128 T129 | N121-R125 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 3.05Å; E122-R125 VanDerWaalsContact O-N 3.14Å; R125-R127 PolarHBondContact O-N 3.08Å; R125-K128 PolarHBondContact O-N 3.33Å; R125-T129 PolarHBondContact O-N 3.45Å; R125-T129 VanDerWaalsContact O-N 3.08Å; R125-T129 PolarHBondContact O-OG1 3.39Å |
| 126 | Q | 49.4 | Very low | 46.6 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 58% | 0.575 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60 | -42.8 | 177.5 | -81.3 | 175.8 | -12.2 | 0 | 0 | 113.3 | E122 K128 T129 D130 | E122-Q126 PolarHBondContact O-N 3.03Å; Q126-K128 PolarHBondContact O-N 3.23Å; Q126-T129 PolarHBondContact O-N 3.39Å; Q126-T129 PolarHBondContact O-OG1 2.86Å; Q126-D130 PolarHBondContact O-N 3.19Å |
| 127 | R | 47 | Very low | 46.8 | Very low | 207 Ų | 207 | 130.6 Ų | 130.6 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67 | -20 | 175.7 | -91.5 | -166.3 | -173.3 | -167.3 | 2.9 | 114.8 | R123 R125 V131 | R123-R127 PolarHBondContact O-N 3.08Å; R123-R127 VanDerWaalsContact O-N 3.08Å; R125-R127 PolarHBondContact O-N 3.08Å; R127-V131 WeakPolarHBondContact O-CG2 3.41Å |
| 128 | K | 47.1 | Very low | 47.5 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 73% | 0.726 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.8 | -31.9 | 175.6 | -79.8 | -173.4 | 174 | -173 | 0 | 112.2 | R124 R125 Q126 | R124-K128 PolarHBondContact O-N 3.14Å; R125-K128 PolarHBondContact O-N 3.33Å; Q126-K128 PolarHBondContact O-N 3.23Å |
| 129 | T | 49.9 | Very low | 47.9 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.7 | -38.2 | 175.7 | 7.2 | 0 | 0 | 0 | 0 | 112.6 | R125 Q126 V131 S132 T133 | R125-T129 PolarHBondContact O-N 3.45Å; R125-T129 VanDerWaalsContact O-N 3.08Å; R125-T129 PolarHBondContact O-OG1 3.39Å; Q126-T129 PolarHBondContact O-N 3.39Å; Q126-T129 PolarHBondContact O-OG1 2.86Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 3.33Å; T129-S132 PolarHBondContact O-N 3.46Å; T129-T133 PolarHBondContact O-N 3.2Å; T129-T133 PolarHBondContact O-OG1 3.24Å |
| 130 | D | 43.2 | Very low | 48.1 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.6 | -29.1 | -178.4 | -74.5 | -26.1 | 0 | 0 | 0 | 113.8 | Q126 S132 G134 | Q126-D130 PolarHBondContact O-N 3.19Å; D130-S132 VanDerWaalsContact C-N 3.35Å; D130-G134 PolarHBondContact O-N 3.49Å |
| 131 | V | 49.7 | Very low | 48.1 | Very low | 102 Ų | 102 | 136 Ų | 136 | 62% | 0.618 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.8 | -30.4 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | R127 T129 | R127-V131 WeakPolarHBondContact O-CG2 3.41Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 3.33Å |
| 132 | S | 47.4 | Very low | 48 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 57% | 0.566 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.9 | -41.2 | -179.8 | -167 | 0 | 0 | 0 | 0 | 112.3 | T129 D130 G134 F135 | T129-S132 PolarHBondContact O-N 3.46Å; D130-S132 VanDerWaalsContact C-N 3.35Å; S132-G134 PolarHBondContact O-N 3.44Å; S132-F135 PolarHBondContact O-N 3.29Å |
| 133 | T | 51.7 | Low | 48.1 | Very low | 86 Ų | 86 | 145 Ų | 145 | 53% | 0.528 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -73 | -27.4 | 179 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | T129 K137 | T129-T133 PolarHBondContact O-N 3.2Å; T129-T133 PolarHBondContact O-OG1 3.24Å; T133-K137 PolarHBondContact O-N 3.41Å |
| 134 | G | 48.6 | Very low | 48.2 | Very low | 44 Ų | 44 | 142.4 Ų | 142.4 | 45% | 0.454 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -67.7 | -34.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D130 S132 | D130-G134 PolarHBondContact O-N 3.49Å; S132-G134 PolarHBondContact O-N 3.44Å |
| 135 | F | 51.4 | Low | 48.2 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.6 | -36.7 | 179.9 | -112.5 | -90.8 | 0 | 0 | 0 | 112.8 | S132 K137 K138 L139 | S132-F135 PolarHBondContact O-N 3.29Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å; F135-K138 PolarHBondContact O-N 3.44Å; F135-L139 PolarHBondContact O-N 3.49Å |
| 136 | V | 50.4 | Low | 48.2 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 62% | 0.624 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.5 | -33.9 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | K138 | V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.44Å |
| 137 | K | 47.2 | Very low | 48.1 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.1 | -27.2 | 175.5 | -84.2 | -173.7 | 177 | 179.7 | 0 | 113.5 | T133 F135 | T133-K137 PolarHBondContact O-N 3.41Å; F135-K137 VanDerWaalsContact C-N 3.33Å; F135-K137 PolarHBondContact O-N 3.24Å |
| 138 | K | 49.7 | Very low | 48.1 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 73% | 0.726 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -82.1 | -24.5 | -177.8 | -145.4 | 175.5 | -174.5 | -177.3 | 0 | 113.3 | F135 V136 | F135-K138 PolarHBondContact O-N 3.44Å; V136-K138 VanDerWaalsContact C-N 3.31Å; V136-K138 PolarHBondContact O-N 3.44Å |
| 139 | L | 49.5 | Very low | 48.2 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.2 | -17.8 | 179.8 | -123.1 | 105.9 | 0 | 0 | 0 | 114.4 | F135 S141 | F135-L139 PolarHBondContact O-N 3.49Å; L139-S141 VanDerWaalsContact C-N 3.35Å |
| 140 | K | 46.7 | Very low | 48.1 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 85% | 0.848 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 3.7 | -179.5 | -142.8 | 179.7 | -174.5 | -177.4 | 0 | 114 | ||
| 141 | S | 46 | Very low | 48.5 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 17.5 | 179.7 | -167.5 | 0 | 0 | 0 | 0 | 113.2 | L139 | L139-S141 VanDerWaalsContact C-N 3.35Š|
| 142 | Y | 43.8 | Very low | 48.4 | Very low | 276 Ų | 276 | 137.9 Ų | 137.9 | 100% | 1.082 | 70% | 0.698 | S | S | * | * | trans | -124 | 0 | 163.3 | -85.2 | -85.1 | 0 | 0 | 0 | 108 |
Retrieved 142 of 142 residues in 141.8 ms
(Link to these results)