| 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 | 53.8 | Low | 75.3 | Confident | 194 Ų | 194 | 116.8 Ų | 116.8 | 96% | 0.956 | 65% | 0.645 | S | S | * | * | 0 | 77.6 | 0 | -66.7 | -72.8 | 161.8 | 0 | 0 | 110.2 | V4 | M1-V4 HydrophobicContact CB-CG2 3.98Å; M1-V4 WeakPolarHBondContact O-CG2 3.41Å | |||
| 2 | P | 68.4 | Low | 76 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.7 | -24 | 179.5 | 28.8 | -33.5 | 0 | 0 | 0 | 113.8 | V4 R5 S6 | P2-V4 PolarHBondContact O-N 3.42Å; P2-R5 PolarHBondContact O-N 3.04Å; P2-S6 PolarHBondContact O-N 2.91Å; P2-S6 PolarHBondContact O-OG 3.33Å |
| 3 | S | 67.8 | Low | 76.7 | Confident | 93 Ų | 93 | 107 Ų | 107 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -34.8 | -176.2 | -44.4 | 0 | 0 | 0 | 0 | 113.4 | S6 L7 | S3-S6 PolarHBondContact O-N 3.34Å; S3-L7 WeakPolarHBondContact O-CB 3.44Å; S3-L7 PolarHBondContact O-N 3.46Å |
| 4 | V | 75.9 | Confident | 77.4 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.6 | -32.7 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | M1 P2 L8 | M1-V4 HydrophobicContact CB-CG2 3.98Å; M1-V4 WeakPolarHBondContact O-CG2 3.41Å; P2-V4 PolarHBondContact O-N 3.42Å; V4-L8 WeakPolarHBondContact O-CB 3.2Å; V4-L8 PolarHBondContact O-N 2.94Å |
| 5 | R | 75.8 | Confident | 78 | Confident | 207 Ų | 207 | 101.5 Ų | 101.5 | 78% | 0.781 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -38.7 | 176.1 | -72.3 | 179.4 | 149.3 | 157.7 | -5 | 111.6 | P2 L8 G9 | P2-R5 PolarHBondContact O-N 3.04Å; R5-L8 PolarHBondContact O-N 3.12Å; R5-G9 PolarHBondContact O-N 3.33Å |
| 6 | S | 77.7 | Confident | 78.9 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -40.3 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | P2 S3 G9 L10 | P2-S6 PolarHBondContact O-N 2.91Å; P2-S6 PolarHBondContact O-OG 3.33Å; S3-S6 PolarHBondContact O-N 3.34Å; S6-G9 PolarHBondContact O-N 3.37Å; S6-L10 PolarHBondContact O-N 2.93Å |
| 7 | L | 78.6 | Confident | 79.5 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.6 | -43 | 175.4 | -169.4 | 71.8 | 0 | 0 | 0 | 112.1 | S3 G9 L10 L11 | S3-L7 WeakPolarHBondContact O-CB 3.44Å; S3-L7 PolarHBondContact O-N 3.46Å; L7-G9 VanDerWaalsContact C-N 3.34Å; L7-G9 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 3.41Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.47Å; L7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | L | 80.6 | Confident | 80.1 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 176.6 | -171.5 | 64.5 | 0 | 0 | 0 | 112 | V4 R5 L11 A12 | V4-L8 WeakPolarHBondContact O-CB 3.2Å; V4-L8 PolarHBondContact O-N 2.94Å; R5-L8 PolarHBondContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.12Å |
| 9 | G | 80.9 | Confident | 80.7 | Confident | 42 Ų | 42 | 94.4 Ų | 94.4 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R5 S6 L7 A12 A13 | R5-G9 PolarHBondContact O-N 3.33Å; S6-G9 PolarHBondContact O-N 3.37Å; L7-G9 VanDerWaalsContact C-N 3.34Å; L7-G9 PolarHBondContact O-N 3.25Å; G9-A12 PolarHBondContact O-N 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.44Å; G9-A13 PolarHBondContact O-N 2.9Å |
| 10 | L | 84.7 | Confident | 81.4 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 68% | 0.681 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 177.7 | -150.2 | 86.2 | 0 | 0 | 0 | 112.1 | S6 L7 A13 A14 | S6-L10 PolarHBondContact O-N 2.93Å; L7-L10 PolarHBondContact O-N 3.41Å; L10-A13 PolarHBondContact O-N 3.11Å; L10-A14 PolarHBondContact O-N 2.95Å |
| 11 | L | 84.7 | Confident | 82 | Confident | 111 Ų | 111 | 95.8 Ų | 95.8 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -41 | 176.3 | -71.5 | 170.6 | 0 | 0 | 0 | 112 | L7 L8 A14 A15 | L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 3.47Å; L7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.24Å; L11-A14 PolarHBondContact O-N 3.34Å; L11-A15 PolarHBondContact O-N 3.22Å |
| 12 | A | 83.2 | Confident | 83.9 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.9 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L8 G9 A14 A15 V16 | L8-A12 WeakPolarHBondContact O-CB 3.44Å; L8-A12 PolarHBondContact O-N 3.12Å; G9-A12 PolarHBondContact O-N 3.32Å; A12-A14 PolarHBondContact O-N 3.01Å; A12-A15 PolarHBondContact O-N 3.26Å; A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.28Å; A12-V16 PolarHBondContact O-N 3.3Å |
| 13 | A | 84.7 | Confident | 85.1 | Confident | 51 Ų | 51 | 93.9 Ų | 93.9 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G9 L10 V16 C17 | G9-A13 WeakPolarHBondContact O-CB 3.44Å; G9-A13 PolarHBondContact O-N 2.9Å; L10-A13 PolarHBondContact O-N 3.11Å; A13-V16 PolarHBondContact O-N 3.27Å; A13-C17 PolarHBondContact O-N 3.05Å; A13-C17 PolarHBondContact O-SG 3.14Å |
| 14 | A | 86.5 | Confident | 86.3 | Confident | 64 Ų | 64 | 91.5 Ų | 91.5 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L10 L11 A12 C17 G18 | L10-A14 PolarHBondContact O-N 2.95Å; L11-A14 PolarHBondContact O-N 3.34Å; A12-A14 PolarHBondContact O-N 3.01Å; A14-C17 PolarHBondContact O-N 3.26Å; A14-G18 PolarHBondContact O-N 3.12Å |
| 15 | A | 87.5 | Confident | 87.1 | Confident | 67 Ų | 67 | 93.6 Ų | 93.6 | 55% | 0.554 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 A12 G18 A19 | L11-A15 PolarHBondContact O-N 3.22Å; A12-A15 PolarHBondContact O-N 3.26Å; A15-G18 PolarHBondContact O-N 3.43Å; A15-A19 PolarHBondContact O-N 3.23Å |
| 16 | V | 91.6 | Very high | 87.8 | Confident | 79 Ų | 79 | 86.2 Ų | 86.2 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.6 | 173 | 0 | 0 | 0 | 0 | 110.8 | A12 A13 G18 A19 F20 | A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.28Å; A12-V16 PolarHBondContact O-N 3.3Å; A13-V16 PolarHBondContact O-N 3.27Å; V16-G18 VanDerWaalsContact C-N 3.33Å; V16-G18 PolarHBondContact O-N 3.47Å; V16-A19 PolarHBondContact O-N 2.86Å; V16-F20 HydrophobicContact CG1-CD2 3.71Å; V16-F20 HydrophobicContact CG1-CE2 3.52Å; V16-F20 VanDerWaalsContact O-CD2 3.22Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.36Å; V16-F20 VanDerWaalsContact O-N 3.1Å |
| 17 | C | 89.1 | Confident | 88.3 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.8 | -41.5 | 177.2 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | A13 A14 F20 A21 | A13-C17 PolarHBondContact O-N 3.05Å; A13-C17 PolarHBondContact O-SG 3.14Å; A14-C17 PolarHBondContact O-N 3.26Å; C17-F20 PolarHBondContact O-N 3.16Å; C17-A21 PolarHBondContact O-N 3.29Å; C17-A21 VanDerWaalsContact O-N 3.08Å |
| 18 | G | 91.2 | Very high | 88.9 | Confident | 44 Ų | 44 | 88 Ų | 88 | 45% | 0.454 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A14 A15 V16 A21 F22 | A14-G18 PolarHBondContact O-N 3.12Å; A15-G18 PolarHBondContact O-N 3.43Å; V16-G18 VanDerWaalsContact C-N 3.33Å; V16-G18 PolarHBondContact O-N 3.47Å; G18-A21 PolarHBondContact O-N 3Å; G18-F22 WeakPolarHBondContact O-CB 3.33Å; G18-F22 PolarHBondContact O-N 3.05Å |
| 19 | A | 91.4 | Very high | 89 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A15 V16 F22 L23 | A15-A19 PolarHBondContact O-N 3.23Å; V16-A19 PolarHBondContact O-N 2.86Å; A19-F22 PolarHBondContact O-N 3.12Å; A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 3.09Å |
| 20 | F | 94.2 | Very high | 89.1 | Confident | 151 Ų | 151 | 86.5 Ų | 86.5 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 176.4 | -81.9 | -71.3 | 0 | 0 | 0 | 112.7 | V16 C17 L23 G24 | V16-F20 HydrophobicContact CG1-CD2 3.71Å; V16-F20 HydrophobicContact CG1-CE2 3.52Å; V16-F20 VanDerWaalsContact O-CD2 3.22Å; V16-F20 WeakPolarHBondContact O-CD2 3.24Å; V16-F20 PolarHBondContact O-N 3.36Å; V16-F20 VanDerWaalsContact O-N 3.1Å; C17-F20 PolarHBondContact O-N 3.16Å; F20-L23 PolarHBondContact O-N 2.95Å; F20-G24 PolarHBondContact O-N 3.13Å |
| 21 | A | 93.4 | Very high | 88.9 | Confident | 68 Ų | 68 | 90 Ų | 90 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C17 G18 G24 Y25 | C17-A21 PolarHBondContact O-N 3.29Å; C17-A21 VanDerWaalsContact O-N 3.08Å; G18-A21 PolarHBondContact O-N 3Å; A21-G24 PolarHBondContact O-N 3.13Å; A21-Y25 WeakPolarHBondContact O-CB 3.35Å; A21-Y25 PolarHBondContact O-N 2.9Å |
| 22 | F | 94.2 | Very high | 88.4 | Confident | 140 Ų | 140 | 91.6 Ų | 91.6 | 61% | 0.614 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | 176.5 | -174.7 | -102 | 0 | 0 | 0 | 112 | G18 A19 G24 Y25 C26 | G18-F22 WeakPolarHBondContact O-CB 3.33Å; G18-F22 PolarHBondContact O-N 3.05Å; A19-F22 PolarHBondContact O-N 3.12Å; F22-G24 PolarHBondContact O-N 3.38Å; F22-Y25 WeakPolarHBondContact O-CB 3.28Å; F22-Y25 PolarHBondContact O-N 3.41Å; F22-C26 VanDerWaalsContact CE1-SG 3.56Å; F22-C26 PolarHBondContact O-N 3.41Å; F22-C26 PolarHBondContact O-SG 3.35Å |
| 23 | L | 93.7 | Very high | 87.8 | Confident | 111 Ų | 111 | 99 Ų | 99 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 178.7 | -147.7 | 77.8 | 0 | 0 | 0 | 111.5 | A19 F20 Y25 C26 V27 | A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 2.95Å; L23-Y25 VanDerWaalsContact C-N 3.32Å; L23-Y25 PolarHBondContact O-N 2.97Å; L23-C26 PolarHBondContact O-N 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 3.29Å |
| 24 | G | 92.9 | Very high | 87 | Confident | 43 Ų | 43 | 105.4 Ų | 105.4 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.6 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F20 A21 F22 V27 Y28 | F20-G24 PolarHBondContact O-N 3.13Å; A21-G24 PolarHBondContact O-N 3.13Å; F22-G24 PolarHBondContact O-N 3.38Å; G24-V27 PolarHBondContact O-N 3.26Å; G24-Y28 WeakPolarHBondContact O-CB 3.4Å; G24-Y28 PolarHBondContact O-N 2.96Å |
| 25 | Y | 92.4 | Very high | 85.9 | Confident | 135 Ų | 135 | 105 Ų | 105 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -41.2 | 175.4 | -174.4 | -110.6 | 0 | 0 | 0 | 112.6 | A21 F22 L23 Y28 L29 | A21-Y25 WeakPolarHBondContact O-CB 3.35Å; A21-Y25 PolarHBondContact O-N 2.9Å; F22-Y25 WeakPolarHBondContact O-CB 3.28Å; F22-Y25 PolarHBondContact O-N 3.41Å; L23-Y25 VanDerWaalsContact C-N 3.32Å; L23-Y25 PolarHBondContact O-N 2.97Å; Y25-Y28 PolarHBondContact O-N 3.46Å; Y25-L29 HydrophobicContact CD1-CD1 3.88Å; Y25-L29 HydrophobicContact CD1-CG 4.47Å; Y25-L29 HydrophobicContact CE1-CD1 3.28Å; Y25-L29 HydrophobicContact CE1-CG 4.08Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 PolarHBondContact O-N 2.69Å |
| 26 | C | 90 | Very high | 85 | Confident | 52 Ų | 52 | 106 Ų | 106 | 35% | 0.351 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.5 | -70.2 | 0 | 0 | 0 | 0 | 112 | F22 L23 L29 D30 | F22-C26 VanDerWaalsContact CE1-SG 3.56Å; F22-C26 PolarHBondContact O-N 3.41Å; F22-C26 PolarHBondContact O-SG 3.35Å; L23-C26 PolarHBondContact O-N 3.25Å; C26-L29 PolarHBondContact O-N 3.31Å; C26-D30 WeakPolarHBondContact O-CB 3.49Å; C26-D30 PolarHBondContact O-N 2.94Å |
| 27 | V | 90 | Very high | 83.6 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 58% | 0.582 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -41.4 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L23 G24 D30 R31 | L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 3.29Å; G24-V27 PolarHBondContact O-N 3.26Å; V27-D30 PolarHBondContact O-N 3.26Å; V27-R31 VanDerWaalsContact O-CB 3.29Å; V27-R31 WeakPolarHBondContact O-CB 3.43Å; V27-R31 PolarHBondContact O-N 3.41Å |
| 28 | Y | 89.3 | Confident | 82.6 | Confident | 139 Ų | 139 | 103.6 Ų | 103.6 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 175.8 | 172.1 | -104.5 | 0 | 0 | 0 | 112 | G24 Y25 R31 K32 | G24-Y28 WeakPolarHBondContact O-CB 3.4Å; G24-Y28 PolarHBondContact O-N 2.96Å; Y25-Y28 PolarHBondContact O-N 3.46Å; Y28-R31 PolarHBondContact O-N 3.27Å; Y28-K32 WeakPolarHBondContact O-CB 3.37Å; Y28-K32 PolarHBondContact O-N 3Å |
| 29 | L | 82.5 | Confident | 81.4 | Confident | 64 Ų | 64 | 108.1 Ų | 108.1 | 34% | 0.335 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 178.5 | -77.3 | -178.6 | 0 | 0 | 0 | 113 | Y25 C26 R31 K32 R33 | Y25-L29 HydrophobicContact CD1-CD1 3.88Å; Y25-L29 HydrophobicContact CD1-CG 4.47Å; Y25-L29 HydrophobicContact CE1-CD1 3.28Å; Y25-L29 HydrophobicContact CE1-CG 4.08Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 PolarHBondContact O-N 2.69Å; C26-L29 PolarHBondContact O-N 3.31Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-K32 PolarHBondContact O-N 3.48Å; L29-R33 WeakPolarHBondContact O-CB 3.37Å; L29-R33 WeakPolarHBondContact O-CG 3.26Å; L29-R33 PolarHBondContact O-N 3.34Å |
| 30 | D | 84.7 | Confident | 80.3 | Confident | 68 Ų | 68 | 111.6 Ų | 111.6 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.2 | -167.4 | 33.2 | 0 | 0 | 0 | 110.7 | C26 V27 K32 R33 R34 | C26-D30 WeakPolarHBondContact O-CB 3.49Å; C26-D30 PolarHBondContact O-N 2.94Å; V27-D30 PolarHBondContact O-N 3.26Å; D30-K32 PolarHBondContact O-N 3.48Å; D30-R33 PolarHBondContact O-N 2.92Å; D30-R34 VanDerWaalsContact CG-NE 3.32Å; D30-R34 WeakPolarHBondContact O-CB 3.24Å; D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.02Å; D30-R34 IonicContact OD1-CZ 3.84Å; D30-R34 IonicContact OD1-NE 2.95Å; D30-R34 PolarHBondContact OD1-NE 3.32Å; D30-R34 IonicContact OD1-NH2 3.7Å; D30-R34 IonicContact OD2-CZ 3.2Å; D30-R34 IonicContact OD2-NE 3.78Å; D30-R34 PolarHBondContact OD2-NE 3.11Å; D30-R34 IonicContact OD2-NH2 2.86Å; D30-R34 PolarHBondContact OD2-NH2 3.38Å |
| 31 | R | 78.9 | Confident | 79.1 | Confident | 205 Ų | 205 | 112.6 Ų | 112.6 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 174.4 | -163.4 | 174.9 | 176.6 | 171.2 | -1.2 | 112.1 | V27 Y28 L29 G35 | V27-R31 VanDerWaalsContact O-CB 3.29Å; V27-R31 WeakPolarHBondContact O-CB 3.43Å; V27-R31 PolarHBondContact O-N 3.41Å; Y28-R31 PolarHBondContact O-N 3.27Å; L29-R31 VanDerWaalsContact C-N 3.33Å; R31-G35 PolarHBondContact O-N 3.16Å |
| 32 | K | 75.4 | Confident | 78.1 | Confident | 143 Ų | 143 | 117.4 Ų | 117.4 | 62% | 0.622 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.3 | -36.5 | 174.5 | -171.5 | 170.8 | -178.5 | 175.9 | 0 | 112.2 | Y28 L29 D30 | Y28-K32 WeakPolarHBondContact O-CB 3.37Å; Y28-K32 PolarHBondContact O-N 3Å; L29-K32 PolarHBondContact O-N 3.48Å; D30-K32 PolarHBondContact O-N 3.48Å |
| 33 | R | 69.7 | Low | 77.1 | Confident | 210 Ų | 210 | 114.2 Ų | 114.2 | 79% | 0.792 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72 | -41.9 | 176 | -79.7 | -176.2 | 170.4 | -163.1 | -1.7 | 113.4 | L29 D30 G35 | L29-R33 WeakPolarHBondContact O-CB 3.37Å; L29-R33 WeakPolarHBondContact O-CG 3.26Å; L29-R33 PolarHBondContact O-N 3.34Å; D30-R33 PolarHBondContact O-N 2.92Å; R33-G35 PolarHBondContact O-N 3.04Å |
| 34 | R | 68.3 | Low | 76.2 | Confident | 186 Ų | 186 | 116.1 Ų | 116.1 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.1 | -12.2 | -178.9 | -67.1 | -177.6 | -167.5 | -149.3 | 5.7 | 113.9 | D30 | D30-R34 VanDerWaalsContact CG-NE 3.32Å; D30-R34 WeakPolarHBondContact O-CB 3.24Å; D30-R34 WeakPolarHBondContact O-CG 3.38Å; D30-R34 PolarHBondContact O-N 3.02Å; D30-R34 IonicContact OD1-CZ 3.84Å; D30-R34 IonicContact OD1-NE 2.95Å; D30-R34 PolarHBondContact OD1-NE 3.32Å; D30-R34 IonicContact OD1-NH2 3.7Å; D30-R34 IonicContact OD2-CZ 3.2Å; D30-R34 IonicContact OD2-NE 3.78Å; D30-R34 PolarHBondContact OD2-NE 3.11Å; D30-R34 IonicContact OD2-NH2 2.86Å; D30-R34 PolarHBondContact OD2-NH2 3.38Å |
| 35 | G | 63.9 | Low | 75.3 | Confident | 56 Ų | 56 | 118.7 Ų | 118.7 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -6.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R31 R33 P37 | R31-G35 PolarHBondContact O-N 3.16Å; R33-G35 PolarHBondContact O-N 3.04Å; G35-P37 WeakPolarHBondContact O-CD 3.3Å; G35-P37 VanDerWaalsContact O-N 3.11Å |
| 36 | D | 68.9 | Low | 74.4 | Confident | 89 Ų | 89 | 119.7 Ų | 119.7 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | trans | -65.5 | 111 | -173.9 | -166.7 | -22 | 0 | 0 | 0 | 111.7 | A38 F39 | D36-A38 PolarHBondContact O-N 3.41Å; D36-A38 WeakPolarHBondContact OD1-CB 3.44Å; D36-A38 PolarHBondContact OD1-N 2.9Å; D36-F39 PolarHBondContact O-N 3.1Å | ||
| 37 | P | 62 | Low | 73.4 | Confident | 81 Ų | 81 | 126.2 Ų | 126.2 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.2 | -19.7 | 179.8 | 28.6 | -34.1 | 0 | 0 | 0 | 112.3 | G35 R41 | G35-P37 WeakPolarHBondContact O-CD 3.3Å; G35-P37 VanDerWaalsContact O-N 3.11Å; P37-R41 WeakPolarHBondContact O-CG 3.28Å; P37-R41 PolarHBondContact O-N 2.8Å |
| 38 | A | 67.9 | Low | 72.3 | Confident | 34 Ų | 34 | 131.4 Ų | 131.4 | 28% | 0.281 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | D36 R41 R42 | D36-A38 PolarHBondContact O-N 3.41Å; D36-A38 WeakPolarHBondContact OD1-CB 3.44Å; D36-A38 PolarHBondContact OD1-N 2.9Å; A38-R41 PolarHBondContact O-N 3.19Å; A38-R42 WeakPolarHBondContact O-CB 3.43Å; A38-R42 WeakPolarHBondContact O-CG 3.47Å; A38-R42 PolarHBondContact O-N 3.29Å |
| 39 | F | 65.4 | Low | 71.1 | Confident | 139 Ų | 139 | 128.5 Ų | 128.5 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -44.4 | 178 | -176.9 | -104.6 | 0 | 0 | 0 | 111.9 | D36 R42 L43 | D36-F39 PolarHBondContact O-N 3.1Å; F39-R42 PolarHBondContact O-N 3.15Å; F39-L43 HydrophobicContact CD1-CD1 3.86Å; F39-L43 HydrophobicContact CE1-CD1 3.38Å; F39-L43 HydrophobicContact CE1-CG 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.79Å; F39-L43 HydrophobicContact CZ-CG 4.45Å; F39-L43 PolarHBondContact O-N 3.16Å |
| 40 | K | 68.6 | Low | 69.9 | Low | 134 Ų | 134 | 132.8 Ų | 132.8 | 58% | 0.583 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -36.8 | 176.3 | -69.4 | -177.7 | -179.2 | 177.1 | 0 | 112 | R44 | K40-R44 WeakPolarHBondContact O-CB 3.46Å; K40-R44 PolarHBondContact O-N 2.98Å; K40-R44 VanDerWaalsContact O-N 3.07Å |
| 41 | R | 70 | Confident | 68.4 | Low | 172 Ų | 172 | 133.9 Ų | 133.9 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.1 | -48.1 | 174 | -75 | 177.4 | -176.9 | -176.5 | 1.2 | 111.2 | P37 A38 L43 R44 D45 | P37-R41 WeakPolarHBondContact O-CG 3.28Å; P37-R41 PolarHBondContact O-N 2.8Å; A38-R41 PolarHBondContact O-N 3.19Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 3.19Å; R41-R44 CarbonylContact O-C 3.54Å; R41-R44 WeakPolarHBondContact O-CA 3.29Å; R41-R44 WeakPolarHBondContact O-CB 3.19Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-D45 VanDerWaalsContact O-CG 3.32Å; R41-D45 PolarHBondContact O-N 3.06Å |
| 42 | R | 71.6 | Confident | 67 | Low | 169 Ų | 169 | 133.2 Ų | 133.2 | 64% | 0.638 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.5 | -36.5 | 175.9 | -70.6 | 173.2 | -167.1 | -75.4 | 2.9 | 113.1 | A38 F39 K46 | A38-R42 WeakPolarHBondContact O-CB 3.43Å; A38-R42 WeakPolarHBondContact O-CG 3.47Å; A38-R42 PolarHBondContact O-N 3.29Å; F39-R42 PolarHBondContact O-N 3.15Å; R42-K46 WeakPolarHBondContact O-CB 3.24Å; R42-K46 VanDerWaalsContact O-CG 3.31Å; R42-K46 WeakPolarHBondContact O-CG 3.27Å; R42-K46 PolarHBondContact O-N 2.97Å |
| 43 | L | 72 | Confident | 65.6 | Low | 73 Ų | 73 | 133.8 Ų | 133.8 | 38% | 0.382 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.6 | -28.8 | 173 | -81.6 | 167.9 | 0 | 0 | 0 | 113.8 | F39 R41 R47 | F39-L43 HydrophobicContact CD1-CD1 3.86Å; F39-L43 HydrophobicContact CE1-CD1 3.38Å; F39-L43 HydrophobicContact CE1-CG 4.4Å; F39-L43 HydrophobicContact CZ-CD1 3.79Å; F39-L43 HydrophobicContact CZ-CG 4.45Å; F39-L43 PolarHBondContact O-N 3.16Å; R41-L43 VanDerWaalsContact C-N 3.29Å; R41-L43 PolarHBondContact O-N 3.19Å; L43-R47 PolarHBondContact O-N 3.31Å; L43-R47 PolarHBondContact O-NE 3.32Å |
| 44 | R | 75.8 | Confident | 64.4 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79.1 | -38.8 | 177.1 | -145.7 | 178.9 | -71.8 | -168.8 | -4.5 | 110.4 | K40 R41 R47 R48 | K40-R44 WeakPolarHBondContact O-CB 3.46Å; K40-R44 PolarHBondContact O-N 2.98Å; K40-R44 VanDerWaalsContact O-N 3.07Å; R41-R44 CarbonylContact O-C 3.54Å; R41-R44 WeakPolarHBondContact O-CA 3.29Å; R41-R44 WeakPolarHBondContact O-CB 3.19Å; R41-R44 PolarHBondContact O-N 3.19Å; R44-R47 PolarHBondContact O-N 3.25Å; R44-R48 WeakPolarHBondContact O-CG 3.38Å; R44-R48 PolarHBondContact O-N 3.45Å |
| 45 | D | 74.8 | Confident | 63.4 | Low | 96 Ų | 96 | 126.7 Ų | 126.7 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68 | -42.7 | 175.1 | -66.2 | -19.7 | 0 | 0 | 0 | 110.8 | R41 R47 R48 A49 | R41-D45 VanDerWaalsContact O-CG 3.32Å; R41-D45 PolarHBondContact O-N 3.06Å; D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 2.92Å; D45-R48 CarbonylContact O-C 3.57Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.08Å; D45-A49 WeakPolarHBondContact O-CA 3.48Å; D45-A49 WeakPolarHBondContact O-CB 3.5Å; D45-A49 PolarHBondContact O-N 3.39Å |
| 46 | K | 71.8 | Confident | 62.4 | Low | 156 Ų | 156 | 132.5 Ų | 132.5 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.4 | -38.6 | 171.5 | -78.7 | -176.3 | 175.6 | -167 | 0 | 112.9 | R42 E50 | R42-K46 WeakPolarHBondContact O-CB 3.24Å; R42-K46 VanDerWaalsContact O-CG 3.31Å; R42-K46 WeakPolarHBondContact O-CG 3.27Å; R42-K46 PolarHBondContact O-N 2.97Å; K46-E50 PolarHBondContact O-N 3Å |
| 47 | R | 69.8 | Low | 61.4 | Low | 190 Ų | 190 | 138.9 Ų | 138.9 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.2 | -21.3 | 176.1 | -86.1 | -174.6 | -78.5 | -172.9 | -8.1 | 114.5 | L43 R44 D45 | L43-R47 PolarHBondContact O-N 3.31Å; L43-R47 PolarHBondContact O-NE 3.32Å; R44-R47 PolarHBondContact O-N 3.25Å; D45-R47 VanDerWaalsContact C-N 3.27Å; D45-R47 PolarHBondContact O-N 2.92Å |
| 48 | R | 66.9 | Low | 60.6 | Low | 204 Ų | 204 | 137.8 Ų | 137.8 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -94.3 | -23.2 | 175.2 | -74.7 | -173.9 | 178.3 | -121.6 | 0.4 | 112.8 | R44 D45 | R44-R48 WeakPolarHBondContact O-CG 3.38Å; R44-R48 PolarHBondContact O-N 3.45Å; D45-R48 CarbonylContact O-C 3.57Å; D45-R48 PolarHBondContact O-N 3.33Å; D45-R48 VanDerWaalsContact O-N 3.08Å |
| 49 | A | 63.4 | Low | 59.6 | Low | 78 Ų | 78 | 142.6 Ų | 142.6 | 65% | 0.645 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -91.7 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D45 P51 | D45-A49 WeakPolarHBondContact O-CA 3.48Å; D45-A49 WeakPolarHBondContact O-CB 3.5Å; D45-A49 PolarHBondContact O-N 3.39Å; A49-P51 WeakPolarHBondContact O-CD 3.46Å |
| 50 | E | 58.8 | Low | 58.7 | Low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -74.9 | 105.5 | 149.1 | -81.6 | -159.5 | 137.7 | 0 | 0 | 106.6 | K46 Q52 | K46-E50 PolarHBondContact O-N 3Å; E50-Q52 PolarHBondContact O-N 3.21Å |
| 51 | P | 52.5 | Low | 57.6 | Low | 91 Ų | 91 | 142.9 Ų | 142.9 | 59% | 0.591 | 68% | 0.681 | S | S | * | * | trans | -61.8 | 129.9 | 161.9 | 4.3 | 13.9 | 0 | 0 | 0 | 104.5 | A49 K53 | A49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-K53 HydrophobicContact CB-CG 4.18Å; P51-K53 HydrophobicContact CG-CG 4.36Å; P51-K53 PolarHBondContact O-N 3.01Å | ||
| 52 | Q | 50.5 | Low | 56.9 | Low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | -58.8 | 78.8 | 147.3 | -69 | 178.6 | -10.7 | 0 | 0 | 105.8 | E50 P54 | E50-Q52 PolarHBondContact O-N 3.21Å; Q52-P54 WeakPolarHBondContact O-CD 3.39Å | ||
| 53 | K | 45.6 | Very low | 56.3 | Low | 154 Ų | 154 | 134.2 Ų | 134.2 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | trans | -60 | 120.3 | 157.7 | -77 | -173.1 | 176.8 | -176.9 | 0 | 102.7 | P51 E55 | P51-K53 HydrophobicContact CB-CG 4.18Å; P51-K53 HydrophobicContact CG-CG 4.36Å; P51-K53 PolarHBondContact O-N 3.01Å; K53-E55 PolarHBondContact O-N 3.33Å | ||
| 54 | P | 43.3 | Very low | 55.5 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | trans | -61 | 98.4 | 161.4 | 21.3 | -16.4 | 0 | 0 | 0 | 103.6 | Q52 E56 | Q52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-E56 PolarHBondContact O-N 3.35Å | ||
| 55 | E | 47.3 | Very low | 54.7 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | trans | -60.4 | 109.7 | 173.8 | -72.2 | -162.4 | 152.8 | 0 | 0 | 105.6 | K53 R57 Q60 | K53-E55 PolarHBondContact O-N 3.33Å; E55-R57 PolarHBondContact O-N 3.38Å; E55-Q60 PolarHBondContact OE1-NE2 3.08Å | ||
| 56 | E | 43.5 | Very low | 54 | Low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | trans | -48.4 | 126.8 | 171.2 | -69.7 | 170.2 | 156.4 | 0 | 0 | 108.4 | P54 G58 | P54-E56 PolarHBondContact O-N 3.35Å; E56-G58 PolarHBondContact O-N 3Å | ||
| 57 | R | 46.9 | Very low | 54.1 | Low | 223 Ų | 223 | 128.7 Ų | 128.7 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 38.7 | -157.2 | -154.3 | -175.2 | -64.4 | -138 | 0.5 | 113.6 | E55 | E55-R57 PolarHBondContact O-N 3.38Š|
| 58 | G | 46.1 | Very low | 54.6 | Low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159 | -18.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | E56 | E56-G58 PolarHBondContact O-N 3Š|
| 59 | T | 47.1 | Very low | 55.3 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 83% | 0.828 | 64% | 0.638 | S | S | * | * | trans | -158 | 27.7 | -169.6 | -16.5 | 0 | 0 | 0 | 0 | 116.1 | L61 | T59-L61 PolarHBondContact O-N 3.34Š| ||
| 60 | Q | 45.8 | Very low | 56.3 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -74.9 | 89.4 | 154.8 | -72.3 | -147.3 | 52 | 0 | 0 | 107.7 | E55 W62 | E55-Q60 PolarHBondContact OE1-NE2 3.08Å; Q60-W62 PolarHBondContact O-N 2.93Å |
| 61 | L | 46.6 | Very low | 57.6 | Low | 149 Ų | 149 | 119.8 Ų | 119.8 | 78% | 0.78 | 61% | 0.605 | S | S | * | * | trans | -20.6 | 102 | 163.4 | -177 | 67.8 | 0 | 0 | 0 | 109.2 | T59 D63 | T59-L61 PolarHBondContact O-N 3.34Å; L61-D63 PolarHBondContact O-N 3.24Å | ||
| 62 | W | 55.9 | Low | 59.4 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | trans | -56.4 | 98.2 | 171 | 176 | 63.2 | 0 | 0 | 0 | 105.1 | Q60 P64 Q71 | Q60-W62 PolarHBondContact O-N 2.93Å; W62-P64 WeakPolarHBondContact O-CD 3.39Å; W62-Q71 HydrophobicContact CH2-CG 4.14Å; W62-Q71 HydrophobicContact CZ2-CB 4.08Å; W62-Q71 HydrophobicContact CZ2-CG 4.03Å | ||
| 63 | D | 58.6 | Low | 61.3 | Low | 48 Ų | 48 | 116 Ų | 116 | 26% | 0.257 | 58% | 0.582 | S | S | . | * | trans | -86.6 | 100.5 | -175.8 | -175.4 | -4.7 | 0 | 0 | 0 | 106.1 | L61 A65 K66 N67 | L61-D63 PolarHBondContact O-N 3.24Å; D63-A65 PolarHBondContact O-N 2.89Å; D63-A65 WeakPolarHBondContact OD1-CB 3.38Å; D63-A65 PolarHBondContact OD1-N 3.03Å; D63-K66 HydrophobicContact CB-CB 4.3Å; D63-K66 HydrophobicContact CB-CD 4.16Å; D63-K66 HydrophobicContact CB-CG 4.29Å; D63-K66 PolarHBondContact O-N 3.46Å; D63-K66 WeakPolarHBondContact OD2-CD 3.29Å; D63-K66 VanDerWaalsContact OD2-CE 3.22Å; D63-K66 WeakPolarHBondContact OD2-CE 3.45Å; D63-K66 WeakPolarHBondContact OD2-CG 3.35Å; D63-K66 IonicContact OD2-NZ 3.05Å; D63-N67 PolarHBondContact O-N 3.18Å | ||
| 64 | P | 55 | Low | 63.5 | Low | 62 Ų | 62 | 110.6 Ų | 110.6 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.5 | -21.4 | -177.7 | 24.3 | -34.2 | 0 | 0 | 0 | 111.6 | W62 K68 | W62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-K68 WeakPolarHBondContact O-CG 3.47Å; P64-K68 PolarHBondContact O-N 3.04Å |
| 65 | A | 58.1 | Low | 65.8 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D63 | D63-A65 PolarHBondContact O-N 2.89Å; D63-A65 WeakPolarHBondContact OD1-CB 3.38Å; D63-A65 PolarHBondContact OD1-N 3.03Å |
| 66 | K | 61.4 | Low | 68.1 | Low | 169 Ų | 169 | 107.4 Ų | 107.4 | 74% | 0.735 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -27.6 | -179.9 | -71.3 | 176.4 | -173.3 | 169.2 | 0 | 112.9 | D63 | D63-K66 HydrophobicContact CB-CB 4.3Å; D63-K66 HydrophobicContact CB-CD 4.16Å; D63-K66 HydrophobicContact CB-CG 4.29Å; D63-K66 PolarHBondContact O-N 3.46Å; D63-K66 WeakPolarHBondContact OD2-CD 3.29Å; D63-K66 VanDerWaalsContact OD2-CE 3.22Å; D63-K66 WeakPolarHBondContact OD2-CE 3.45Å; D63-K66 WeakPolarHBondContact OD2-CG 3.35Å; D63-K66 IonicContact OD2-NZ 3.05Å |
| 67 | N | 72.3 | Confident | 70.5 | Confident | 63 Ų | 63 | 100.5 Ų | 100.5 | 34% | 0.337 | 50% | 0.503 | S | S | . | . | trans | -115.6 | 32.1 | -170.5 | -72.1 | -37 | 0 | 0 | 0 | 113.6 | D63 K69 L70 Q71 | D63-N67 PolarHBondContact O-N 3.18Å; N67-K69 PolarHBondContact O-N 3.25Å; N67-K69 VanDerWaalsContact O-N 3.08Å; N67-L70 HydrophobicContact CB-CB 4.25Å; N67-L70 HydrophobicContact CB-CD1 4.2Å; N67-L70 PolarHBondContact O-N 3.13Å; N67-Q71 PolarHBondContact O-N 3.17Å | ||
| 68 | K | 80 | Confident | 72.7 | Confident | 137 Ų | 137 | 90.9 Ų | 90.9 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -47.9 | -41.6 | 179.6 | -72.1 | -173.2 | 177.5 | -177.1 | 0 | 113.6 | P64 Q71 E72 | P64-K68 WeakPolarHBondContact O-CG 3.47Å; P64-K68 PolarHBondContact O-N 3.04Å; K68-Q71 PolarHBondContact O-N 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.41Å; K68-E72 PolarHBondContact O-N 2.73Å |
| 69 | K | 82.7 | Confident | 75 | Confident | 168 Ų | 168 | 96.4 Ų | 96.4 | 73% | 0.73 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 177.6 | -68.1 | -175.8 | 178.9 | -178.7 | 0 | 113.1 | N67 Q71 E72 L73 | N67-K69 PolarHBondContact O-N 3.25Å; N67-K69 VanDerWaalsContact O-N 3.08Å; K69-Q71 VanDerWaalsContact C-N 3.33Å; K69-E72 PolarHBondContact O-N 2.83Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.13Å |
| 70 | L | 85.2 | Confident | 77.3 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70 | -35.2 | 177.1 | -65.4 | 176.1 | 0 | 0 | 0 | 110.9 | N67 L73 F74 | N67-L70 HydrophobicContact CB-CB 4.25Å; N67-L70 HydrophobicContact CB-CD1 4.2Å; N67-L70 PolarHBondContact O-N 3.13Å; L70-L73 HydrophobicContact CD2-CD1 4.35Å; L70-L73 PolarHBondContact O-N 2.96Å; L70-F74 WeakPolarHBondContact O-CB 3.35Å; L70-F74 PolarHBondContact O-N 3.49Å |
| 71 | Q | 85.1 | Confident | 79.6 | Confident | 64 Ų | 64 | 86.7 Ų | 86.7 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 173.7 | -174.2 | 178.7 | -8.1 | 0 | 0 | 111.9 | W62 N67 K68 K69 F74 L75 | W62-Q71 HydrophobicContact CH2-CG 4.14Å; W62-Q71 HydrophobicContact CZ2-CB 4.08Å; W62-Q71 HydrophobicContact CZ2-CG 4.03Å; N67-Q71 PolarHBondContact O-N 3.17Å; K68-Q71 PolarHBondContact O-N 3.41Å; K69-Q71 VanDerWaalsContact C-N 3.33Å; Q71-F74 WeakPolarHBondContact O-CB 3.48Å; Q71-F74 PolarHBondContact O-N 2.92Å; Q71-L75 HydrophobicContact CG-CD1 4.39Å; Q71-L75 WeakPolarHBondContact O-CG 3.31Å; Q71-L75 PolarHBondContact O-N 3.41Å |
| 72 | E | 89.6 | Confident | 81.8 | Confident | 126 Ų | 126 | 85.2 Ų | 85.2 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 172.8 | -77.4 | 170.2 | -170.6 | 0 | 0 | 111.4 | K68 K69 L75 Q76 | K68-E72 WeakPolarHBondContact O-CG 3.41Å; K68-E72 PolarHBondContact O-N 2.73Å; K69-E72 PolarHBondContact O-N 2.83Å; E72-L75 PolarHBondContact O-N 3.05Å; E72-Q76 WeakPolarHBondContact O-CB 3.48Å; E72-Q76 PolarHBondContact O-N 3.45Å |
| 73 | L | 90.8 | Very high | 83.7 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.6 | -72.9 | 172.5 | 0 | 0 | 0 | 111.8 | K69 L70 Q76 E77 | K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.13Å; L70-L73 HydrophobicContact CD2-CD1 4.35Å; L70-L73 PolarHBondContact O-N 2.96Å; L73-Q76 PolarHBondContact O-N 3.35Å; L73-E77 WeakPolarHBondContact O-CB 3.33Å; L73-E77 VanDerWaalsContact O-CG 3.3Å; L73-E77 WeakPolarHBondContact O-CG 3.44Å; L73-E77 PolarHBondContact O-N 3.32Å |
| 74 | F | 91.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 84 Ų | 84 | 17% | 0.171 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -55.5 | -54.4 | 175.3 | 170.2 | -102 | 0 | 0 | 0 | 111.4 | L70 Q71 Q76 E77 V78 A100 V103 C104 L110 | L70-F74 WeakPolarHBondContact O-CB 3.35Å; L70-F74 PolarHBondContact O-N 3.49Å; Q71-F74 WeakPolarHBondContact O-CB 3.48Å; Q71-F74 PolarHBondContact O-N 2.92Å; F74-Q76 VanDerWaalsContact C-N 3.28Å; F74-Q76 PolarHBondContact O-N 3.37Å; F74-E77 PolarHBondContact O-N 2.87Å; F74-V78 HydrophobicContact CD2-CG2 4.26Å; F74-V78 HydrophobicContact CE1-CG2 4.21Å; F74-V78 HydrophobicContact CE2-CG2 3.73Å; F74-V78 HydrophobicContact CZ-CG2 3.71Å; F74-V78 WeakPolarHBondContact O-CG2 3.47Å; F74-V78 PolarHBondContact O-N 3.16Å; F74-A100 HydrophobicContact CD2-CB 3.96Å; F74-A100 HydrophobicContact CE2-CB 4.02Å; F74-V103 HydrophobicContact CB-CG2 3.92Å; F74-V103 HydrophobicContact CD2-CG2 4.23Å; F74-C104 HydrophobicContact CD2-CB 4.34Å; F74-C104 HydrophobicContact CE2-CB 4.34Å; F74-L110 HydrophobicContact CE2-CD1 4.26Å; F74-L110 HydrophobicContact CE2-CD2 3.49Å; F74-L110 VanDerWaalsContact CE2-CD2 3.49Å; F74-L110 HydrophobicContact CZ-CD1 3.91Å; F74-L110 HydrophobicContact CZ-CD2 4.01Å |
| 75 | L | 92.3 | Very high | 87.2 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 38% | 0.382 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | -179.7 | -69.9 | 172.7 | 0 | 0 | 0 | 111.9 | Q71 E72 R79 | Q71-L75 HydrophobicContact CG-CD1 4.39Å; Q71-L75 WeakPolarHBondContact O-CG 3.31Å; Q71-L75 PolarHBondContact O-N 3.41Å; E72-L75 PolarHBondContact O-N 3.05Å; L75-R79 WeakPolarHBondContact O-CB 3.24Å; L75-R79 VanDerWaalsContact O-CG 3.25Å; L75-R79 WeakPolarHBondContact O-CG 3.49Å; L75-R79 PolarHBondContact O-N 3.47Å |
| 76 | Q | 94.9 | Very high | 88.8 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 176.5 | -179.7 | 179.3 | -29.9 | 0 | 0 | 111.4 | E72 L73 F74 R79 M80 | E72-Q76 WeakPolarHBondContact O-CB 3.48Å; E72-Q76 PolarHBondContact O-N 3.45Å; L73-Q76 PolarHBondContact O-N 3.35Å; F74-Q76 VanDerWaalsContact C-N 3.28Å; F74-Q76 PolarHBondContact O-N 3.37Å; Q76-R79 PolarHBondContact O-N 3.43Å; Q76-M80 WeakPolarHBondContact O-CB 3.3Å; Q76-M80 VanDerWaalsContact O-CG 3.29Å; Q76-M80 WeakPolarHBondContact O-CG 3.43Å; Q76-M80 PolarHBondContact O-N 3.07Å |
| 77 | E | 93.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 83.2 Ų | 83.2 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.9 | -70.5 | -64.9 | 141.5 | 0 | 0 | 111.1 | L73 F74 R79 M80 G81 H96 N99 A100 | L73-E77 WeakPolarHBondContact O-CB 3.33Å; L73-E77 VanDerWaalsContact O-CG 3.3Å; L73-E77 WeakPolarHBondContact O-CG 3.44Å; L73-E77 PolarHBondContact O-N 3.32Å; F74-E77 PolarHBondContact O-N 2.87Å; E77-R79 PolarHBondContact O-N 3.34Å; E77-M80 PolarHBondContact O-N 3.09Å; E77-G81 PolarHBondContact O-N 3.49Å; E77-H96 WeakPolarHBondContact O-CB 3.45Å; E77-H96 IonicContact OE1-ND1 3.85Å; E77-H96 WeakPolarHBondContact OE2-CA 3.22Å; E77-H96 IonicContact OE2-CE1 3.82Å; E77-H96 IonicContact OE2-CG 3.5Å; E77-H96 IonicContact OE2-ND1 2.73Å; E77-H96 PolarHBondContact OE2-ND1 3.45Å; E77-N99 HydrophobicContact CG-CB 4.04Å; E77-N99 WeakPolarHBondContact OE2-CB 3.32Å; E77-N99 PolarHBondContact OE2-ND2 3.24Å; E77-A100 HydrophobicContact CB-CB 3.96Å |
| 78 | V | 93.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 82.1 Ų | 82.1 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | F74 M80 G81 E82 A100 F114 | F74-V78 HydrophobicContact CD2-CG2 4.26Å; F74-V78 HydrophobicContact CE1-CG2 4.21Å; F74-V78 HydrophobicContact CE2-CG2 3.73Å; F74-V78 HydrophobicContact CZ-CG2 3.71Å; F74-V78 WeakPolarHBondContact O-CG2 3.47Å; F74-V78 PolarHBondContact O-N 3.16Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.15Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.06Å; V78-G81 VanDerWaalsContact O-N 3.13Å; V78-E82 PolarHBondContact O-N 3.44Å; V78-A100 HydrophobicContact CG2-CB 3.76Å; V78-F114 HydrophobicContact CG2-CZ 4.44Å |
| 79 | R | 95 | Very high | 91.7 | Very high | 174 Ų | 174 | 80.5 Ų | 80.5 | 66% | 0.657 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 178.2 | -75.4 | 173.9 | -177.7 | 175.1 | 2.1 | 112.6 | L75 Q76 E77 G81 E82 L83 | L75-R79 WeakPolarHBondContact O-CB 3.24Å; L75-R79 VanDerWaalsContact O-CG 3.25Å; L75-R79 WeakPolarHBondContact O-CG 3.49Å; L75-R79 PolarHBondContact O-N 3.47Å; Q76-R79 PolarHBondContact O-N 3.43Å; E77-R79 PolarHBondContact O-N 3.34Å; R79-G81 VanDerWaalsContact C-N 3.33Å; R79-E82 PolarHBondContact O-N 3.48Å; R79-L83 WeakPolarHBondContact O-CB 3.22Å; R79-L83 PolarHBondContact O-N 3.25Å |
| 80 | M | 95.2 | Very high | 92.2 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 31% | 0.305 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 176 | -71.6 | -56.5 | -59 | 0 | 0 | 110.9 | Q76 E77 V78 L83 W84 H96 | Q76-M80 WeakPolarHBondContact O-CB 3.3Å; Q76-M80 VanDerWaalsContact O-CG 3.29Å; Q76-M80 WeakPolarHBondContact O-CG 3.43Å; Q76-M80 PolarHBondContact O-N 3.07Å; E77-M80 PolarHBondContact O-N 3.09Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.15Å; M80-L83 HydrophobicContact CE-CD2 4.36Å; M80-L83 PolarHBondContact O-N 3.31Å; M80-L83 HydrophobicContact SD-CD2 4.36Å; M80-W84 PolarHBondContact O-N 3.44Å; M80-H96 HydrophobicContact CB-CB 4.32Å |
| 81 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.4 | -56 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | E77 V78 R79 L83 W84 L85 | E77-G81 PolarHBondContact O-N 3.49Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.06Å; V78-G81 VanDerWaalsContact O-N 3.13Å; R79-G81 VanDerWaalsContact C-N 3.33Å; G81-L83 VanDerWaalsContact C-N 3.34Å; G81-L83 PolarHBondContact O-N 3.35Å; G81-W84 PolarHBondContact O-N 2.88Å; G81-L85 VanDerWaalsContact O-CG 3.28Å; G81-L85 WeakPolarHBondContact O-CG 3.28Å; G81-L85 PolarHBondContact O-N 3.18Å |
| 82 | E | 92.3 | Very high | 92.7 | Very high | 118 Ų | 118 | 83 Ų | 83 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 177.7 | -71 | 178.1 | 172.5 | 0 | 0 | 112.6 | V78 R79 W84 L85 S86 | V78-E82 PolarHBondContact O-N 3.44Å; R79-E82 PolarHBondContact O-N 3.48Å; E82-W84 PolarHBondContact O-N 3.21Å; E82-L85 PolarHBondContact O-N 2.85Å; E82-S86 PolarHBondContact O-N 3.29Å |
| 83 | L | 95.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 77 Ų | 77 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 177.6 | -180 | 65 | 0 | 0 | 0 | 111.2 | R79 M80 G81 L85 S86 R87 | R79-L83 WeakPolarHBondContact O-CB 3.22Å; R79-L83 PolarHBondContact O-N 3.25Å; M80-L83 HydrophobicContact CE-CD2 4.36Å; M80-L83 PolarHBondContact O-N 3.31Å; M80-L83 HydrophobicContact SD-CD2 4.36Å; G81-L83 VanDerWaalsContact C-N 3.34Å; G81-L83 PolarHBondContact O-N 3.35Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-S86 PolarHBondContact O-N 3.29Å; L83-S86 PolarHBondContact O-OG 3.35Å; L83-R87 WeakPolarHBondContact O-CG 3.25Å; L83-R87 PolarHBondContact O-N 2.97Å |
| 84 | W | 95 | Very high | 92.9 | Very high | 65 Ų | 65 | 73.5 Ų | 73.5 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 178 | -72.4 | 116.3 | 0 | 0 | 0 | 112.4 | M80 G81 E82 R87 G88 E89 M92 H96 | M80-W84 PolarHBondContact O-N 3.44Å; G81-W84 PolarHBondContact O-N 2.88Å; E82-W84 PolarHBondContact O-N 3.21Å; W84-R87 PolarHBondContact O-N 3.39Å; W84-G88 PolarHBondContact O-N 2.86Å; W84-E89 HydrophobicContact CB-CB 4.37Å; W84-E89 HydrophobicContact CE3-CB 3.77Å; W84-E89 HydrophobicContact CE3-CG 4.02Å; W84-E89 HydrophobicContact CZ3-CG 4.31Å; W84-E89 PolarHBondContact O-N 3.48Å; W84-M92 HydrophobicContact CB-CB 4.07Å; W84-M92 HydrophobicContact CD2-CB 3.83Å; W84-M92 HydrophobicContact CE3-CB 4.29Å; W84-M92 HydrophobicContact CG-CB 3.73Å; W84-H96 AromaticContact CD1-CD2 3.32Å; W84-H96 AromaticContact CD1-NE2 3.65Å; W84-H96 AromaticContact NE1-CD2 3.52Å; W84-H96 AromaticContact NE1-NE2 3.29Å; W84-H96 PolarHBondContact NE1-NE2 3Å |
| 85 | L | 92.8 | Very high | 93 | Very high | 32 Ų | 32 | 75 Ų | 75 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.3 | -67.5 | 176.8 | 0 | 0 | 0 | 111.9 | G81 E82 L83 R87 G88 H90 L97 L118 V122 | G81-L85 VanDerWaalsContact O-CG 3.28Å; G81-L85 WeakPolarHBondContact O-CG 3.28Å; G81-L85 PolarHBondContact O-N 3.18Å; E82-L85 PolarHBondContact O-N 2.85Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L85-R87 PolarHBondContact O-N 3.36Å; L85-G88 PolarHBondContact O-N 3.07Å; L85-H90 HydrophobicContact CD2-CB 4.48Å; L85-L97 HydrophobicContact CD1-CD1 3.88Å; L85-L118 HydrophobicContact CD1-CD2 3.63Å; L85-V122 HydrophobicContact CD1-CG1 4.15Å; L85-V122 HydrophobicContact CD2-CB 4.46Å; L85-V122 HydrophobicContact CD2-CG1 3.56Å; L85-V122 HydrophobicContact CD2-CG2 4.02Å |
| 86 | S | 91.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 72.9 Ų | 72.9 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.5 | -24.3 | 177.4 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | E82 L83 | E82-S86 PolarHBondContact O-N 3.29Å; L83-S86 PolarHBondContact O-N 3.29Å; L83-S86 PolarHBondContact O-OG 3.35Å |
| 87 | R | 92.9 | Very high | 92.9 | Very high | 154 Ų | 154 | 67.9 Ų | 67.9 | 58% | 0.581 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.2 | 175.4 | -66.9 | 174.5 | -179.5 | -166.4 | -1.3 | 113.6 | L83 W84 L85 E89 | L83-R87 WeakPolarHBondContact O-CG 3.25Å; L83-R87 PolarHBondContact O-N 2.97Å; W84-R87 PolarHBondContact O-N 3.39Å; L85-R87 PolarHBondContact O-N 3.36Å; R87-E89 VanDerWaalsContact C-N 3.29Å |
| 88 | G | 90.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 66.7 Ų | 66.7 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 2.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W84 L85 H90 | W84-G88 PolarHBondContact O-N 2.86Å; L85-G88 PolarHBondContact O-N 3.07Å; G88-H90 VanDerWaalsContact C-N 3.32Å; G88-H90 PolarHBondContact O-N 2.68Å; G88-H90 PolarHBondContact O-ND1 3.45Å |
| 89 | E | 91.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -86 | 70.3 | -178.7 | -71.9 | -63.6 | 164.2 | 0 | 0 | 111.1 | W84 R87 R91 M92 G93 | W84-E89 HydrophobicContact CB-CB 4.37Å; W84-E89 HydrophobicContact CE3-CB 3.77Å; W84-E89 HydrophobicContact CE3-CG 4.02Å; W84-E89 HydrophobicContact CZ3-CG 4.31Å; W84-E89 PolarHBondContact O-N 3.48Å; R87-E89 VanDerWaalsContact C-N 3.29Å; E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 2.89Å; E89-M92 PolarHBondContact O-N 2.93Å; E89-G93 PolarHBondContact O-N 2.82Å | ||
| 90 | H | 92.1 | Very high | 92.4 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -34.1 | -171.6 | -52.4 | 120.5 | 0 | 0 | 0 | 114.2 | L85 G88 M92 G93 V94 V122 M125 | L85-H90 HydrophobicContact CD2-CB 4.48Å; G88-H90 VanDerWaalsContact C-N 3.32Å; G88-H90 PolarHBondContact O-N 2.68Å; G88-H90 PolarHBondContact O-ND1 3.45Å; H90-M92 PolarHBondContact O-N 3.38Å; H90-G93 PolarHBondContact O-N 3.39Å; H90-V94 WeakPolarHBondContact O-CB 3.34Å; H90-V94 WeakPolarHBondContact O-CG2 3.35Å; H90-V94 PolarHBondContact O-N 2.97Å; H90-V122 HydrophobicContact CB-CG2 4.45Å; H90-M125 HydrophobicContact CB-CE 3.47Å; H90-M125 VanDerWaalsContact CB-CE 3.47Å |
| 91 | R | 89.8 | Confident | 92 | Very high | 205 Ų | 205 | 56.9 Ų | 56.9 | 77% | 0.774 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 179.8 | -77 | -174.6 | 170.1 | -149.4 | -1.9 | 112.3 | E89 Q95 | E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 2.89Å; R91-Q95 PolarHBondContact O-N 3.35Å; R91-Q95 VanDerWaalsContact O-N 3.12Å |
| 92 | M | 91.4 | Very high | 91.5 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 39% | 0.389 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.9 | -40.7 | 178.6 | -67.4 | -54.1 | -61.2 | 0 | 0 | 110.9 | W84 E89 H90 V94 Q95 H96 | W84-M92 HydrophobicContact CB-CB 4.07Å; W84-M92 HydrophobicContact CD2-CB 3.83Å; W84-M92 HydrophobicContact CE3-CB 4.29Å; W84-M92 HydrophobicContact CG-CB 3.73Å; E89-M92 PolarHBondContact O-N 2.93Å; H90-M92 PolarHBondContact O-N 3.38Å; M92-V94 VanDerWaalsContact C-N 3.34Å; M92-V94 PolarHBondContact O-N 3.27Å; M92-Q95 WeakPolarHBondContact O-CB 3.39Å; M92-Q95 PolarHBondContact O-N 2.86Å; M92-Q95 VanDerWaalsContact O-N 3.13Å; M92-H96 PolarHBondContact O-CD2 3.38Å; M92-H96 VanDerWaalsContact O-CD2 3.26Å; M92-H96 PolarHBondContact O-N 3.05Å; M92-H96 VanDerWaalsContact O-N 3.12Å |
| 93 | G | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.3 | -50.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E89 H90 Q95 H96 L97 | E89-G93 PolarHBondContact O-N 2.82Å; H90-G93 PolarHBondContact O-N 3.39Å; G93-Q95 VanDerWaalsContact C-N 3.32Å; G93-Q95 PolarHBondContact O-N 2.91Å; G93-H96 PolarHBondContact O-N 3.28Å; G93-L97 WeakPolarHBondContact O-CG 3.48Å; G93-L97 PolarHBondContact O-N 3.19Å |
| 94 | V | 92.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 112.5 | H90 M92 S98 V122 M125 L126 K129 | H90-V94 WeakPolarHBondContact O-CB 3.34Å; H90-V94 WeakPolarHBondContact O-CG2 3.35Å; H90-V94 PolarHBondContact O-N 2.97Å; M92-V94 VanDerWaalsContact C-N 3.34Å; M92-V94 PolarHBondContact O-N 3.27Å; V94-S98 WeakPolarHBondContact O-CB 3.45Å; V94-S98 PolarHBondContact O-N 2.85Å; V94-V122 HydrophobicContact CG2-CG1 3.74Å; V94-M125 HydrophobicContact CG1-CB 4.44Å; V94-M125 HydrophobicContact CG2-CB 4Å; V94-M125 HydrophobicContact CG2-CE 4.39Å; V94-L126 HydrophobicContact CG1-CB 4.11Å; V94-L126 HydrophobicContact CG1-CD1 3.91Å; V94-K129 HydrophobicContact CG1-CD 3.9Å |
| 95 | Q | 92.3 | Very high | 89.5 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.7 | -177.6 | 65.4 | 56.1 | 0 | 0 | 111.6 | R91 M92 G93 S98 N99 | R91-Q95 PolarHBondContact O-N 3.35Å; R91-Q95 VanDerWaalsContact O-N 3.12Å; M92-Q95 WeakPolarHBondContact O-CB 3.39Å; M92-Q95 PolarHBondContact O-N 2.86Å; M92-Q95 VanDerWaalsContact O-N 3.13Å; G93-Q95 VanDerWaalsContact C-N 3.32Å; G93-Q95 PolarHBondContact O-N 2.91Å; Q95-S98 WeakPolarHBondContact O-CB 3.4Å; Q95-S98 PolarHBondContact O-N 3.08Å; Q95-N99 PolarHBondContact NE2-OD1 3.5Å; Q95-N99 VanDerWaalsContact NE2-OD1 3.13Å; Q95-N99 PolarHBondContact O-N 3.44Å; Q95-N99 PolarHBondContact O-ND2 2.68Å; Q95-N99 PolarHBondContact O-OD1 2.78Å |
| 96 | H | 94 | Very high | 88.9 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | -179.2 | -75 | -69.9 | 0 | 0 | 0 | 111.8 | E77 M80 W84 M92 G93 S98 N99 A100 | E77-H96 WeakPolarHBondContact O-CB 3.45Å; E77-H96 IonicContact OE1-ND1 3.85Å; E77-H96 WeakPolarHBondContact OE2-CA 3.22Å; E77-H96 IonicContact OE2-CE1 3.82Å; E77-H96 IonicContact OE2-CG 3.5Å; E77-H96 IonicContact OE2-ND1 2.73Å; E77-H96 PolarHBondContact OE2-ND1 3.45Å; M80-H96 HydrophobicContact CB-CB 4.32Å; W84-H96 AromaticContact CD1-CD2 3.32Å; W84-H96 AromaticContact CD1-NE2 3.65Å; W84-H96 AromaticContact NE1-CD2 3.52Å; W84-H96 AromaticContact NE1-NE2 3.29Å; W84-H96 PolarHBondContact NE1-NE2 3Å; M92-H96 PolarHBondContact O-CD2 3.38Å; M92-H96 VanDerWaalsContact O-CD2 3.26Å; M92-H96 PolarHBondContact O-N 3.05Å; M92-H96 VanDerWaalsContact O-N 3.12Å; G93-H96 PolarHBondContact O-N 3.28Å; H96-S98 VanDerWaalsContact C-N 3.28Å; H96-S98 PolarHBondContact O-N 3.26Å; H96-N99 WeakPolarHBondContact O-CB 3.42Å; H96-N99 PolarHBondContact O-N 3.01Å; H96-A100 PolarHBondContact O-N 2.99Å |
| 97 | L | 92 | Very high | 88.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 174.2 | -65.2 | 174.9 | 0 | 0 | 0 | 112.5 | L85 G93 A100 L101 F114 L118 L126 | L85-L97 HydrophobicContact CD1-CD1 3.88Å; G93-L97 WeakPolarHBondContact O-CG 3.48Å; G93-L97 PolarHBondContact O-N 3.19Å; L97-A100 WeakPolarHBondContact O-CB 3.31Å; L97-A100 PolarHBondContact O-N 3.42Å; L97-L101 PolarHBondContact O-N 3.49Å; L97-L101 VanDerWaalsContact O-N 3.08Å; L97-F114 HydrophobicContact CB-CE2 4.24Å; L97-F114 HydrophobicContact CD2-CE1 4.16Å; L97-F114 HydrophobicContact CD2-CE2 4.16Å; L97-F114 HydrophobicContact CD2-CZ 3.7Å; L97-L118 HydrophobicContact CD1-CD1 3.72Å; L97-L118 HydrophobicContact CD1-CD2 4.05Å; L97-L126 HydrophobicContact CB-CD1 4Å; L97-L126 HydrophobicContact CB-CD2 4.48Å |
| 98 | S | 90.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 173.4 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | V94 Q95 H96 A100 L101 L102 I130 | V94-S98 WeakPolarHBondContact O-CB 3.45Å; V94-S98 PolarHBondContact O-N 2.85Å; Q95-S98 WeakPolarHBondContact O-CB 3.4Å; Q95-S98 PolarHBondContact O-N 3.08Å; H96-S98 VanDerWaalsContact C-N 3.28Å; H96-S98 PolarHBondContact O-N 3.26Å; S98-A100 VanDerWaalsContact C-N 3.3Å; S98-A100 PolarHBondContact O-N 3.5Å; S98-L101 PolarHBondContact O-N 3.02Å; S98-L102 WeakPolarHBondContact O-CG 3.33Å; S98-L102 PolarHBondContact O-N 3.39Å; S98-I130 VanDerWaalsContact OG-CD1 3.27Å; S98-I130 WeakPolarHBondContact OG-CD1 3.42Å; S98-I130 VanDerWaalsContact OG-CG1 3.29Å; S98-I130 WeakPolarHBondContact OG-CG1 3.42Å |
| 99 | N | 89.6 | Confident | 87.4 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.8 | -61.6 | -20.5 | 0 | 0 | 0 | 111.5 | E77 Q95 H96 L101 L102 V103 | E77-N99 HydrophobicContact CG-CB 4.04Å; E77-N99 WeakPolarHBondContact OE2-CB 3.32Å; E77-N99 PolarHBondContact OE2-ND2 3.24Å; Q95-N99 PolarHBondContact NE2-OD1 3.5Å; Q95-N99 VanDerWaalsContact NE2-OD1 3.13Å; Q95-N99 PolarHBondContact O-N 3.44Å; Q95-N99 PolarHBondContact O-ND2 2.68Å; Q95-N99 PolarHBondContact O-OD1 2.78Å; H96-N99 WeakPolarHBondContact O-CB 3.42Å; H96-N99 PolarHBondContact O-N 3.01Å; N99-L101 VanDerWaalsContact C-N 3.32Å; N99-L101 PolarHBondContact O-N 3.5Å; N99-L102 WeakPolarHBondContact O-CB 3.29Å; N99-L102 PolarHBondContact O-N 3.3Å; N99-L102 VanDerWaalsContact O-N 3.15Å; N99-V103 PolarHBondContact O-N 2.93Å |
| 100 | A | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F74 E77 V78 H96 L97 S98 L102 V103 C104 | F74-A100 HydrophobicContact CD2-CB 3.96Å; F74-A100 HydrophobicContact CE2-CB 4.02Å; E77-A100 HydrophobicContact CB-CB 3.96Å; V78-A100 HydrophobicContact CG2-CB 3.76Å; H96-A100 PolarHBondContact O-N 2.99Å; L97-A100 WeakPolarHBondContact O-CB 3.31Å; L97-A100 PolarHBondContact O-N 3.42Å; S98-A100 VanDerWaalsContact C-N 3.3Å; S98-A100 PolarHBondContact O-N 3.5Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.67Å; A100-V103 VanDerWaalsContact O-CG2 3.24Å; A100-V103 WeakPolarHBondContact O-CG2 3.47Å; A100-V103 PolarHBondContact O-N 2.89Å; A100-C104 PolarHBondContact O-N 2.93Å |
| 101 | L | 87.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -32.7 | 174.6 | -81.6 | 162.5 | 0 | 0 | 0 | 112.8 | L97 S98 N99 V103 C104 P107 L110 L111 F114 L126 I130 I133 | L97-L101 PolarHBondContact O-N 3.49Å; L97-L101 VanDerWaalsContact O-N 3.08Å; S98-L101 PolarHBondContact O-N 3.02Å; N99-L101 VanDerWaalsContact C-N 3.32Å; N99-L101 PolarHBondContact O-N 3.5Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 3.31Å; L101-C104 PolarHBondContact O-SG 3.4Å; L101-P107 HydrophobicContact CD2-CB 3.89Å; L101-P107 WeakPolarHBondContact CD2-O 3.43Å; L101-L110 HydrophobicContact CD2-CB 4.21Å; L101-L110 HydrophobicContact CD2-CD2 3.81Å; L101-L110 HydrophobicContact CD2-CG 4.2Å; L101-L110 HydrophobicContact CG-CD2 4.13Å; L101-L111 HydrophobicContact CD1-CD1 4.12Å; L101-F114 HydrophobicContact CD1-CD2 4.32Å; L101-F114 HydrophobicContact CD1-CE2 4.22Å; L101-F114 HydrophobicContact CG-CE2 4.14Å; L101-L126 HydrophobicContact CD1-CD1 4.25Å; L101-L126 HydrophobicContact CD1-CD2 3.93Å; L101-L126 HydrophobicContact CD1-CG 4.21Å; L101-I130 HydrophobicContact CB-CD1 4.07Å; L101-I130 HydrophobicContact CD1-CD1 3.5Å; L101-I130 VanDerWaalsContact CD1-CD1 3.5Å; L101-I130 HydrophobicContact CG-CD1 4.43Å; L101-I133 HydrophobicContact CB-CD1 4.38Å |
| 102 | L | 84.4 | Confident | 86.8 | Confident | 120 Ų | 120 | 43.7 Ų | 43.7 | 63% | 0.628 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -71 | -27.2 | 177.7 | -66.9 | 173.7 | 0 | 0 | 0 | 113.5 | S98 N99 A100 | S98-L102 WeakPolarHBondContact O-CG 3.33Å; S98-L102 PolarHBondContact O-N 3.39Å; N99-L102 WeakPolarHBondContact O-CB 3.29Å; N99-L102 PolarHBondContact O-N 3.3Å; N99-L102 VanDerWaalsContact O-N 3.15Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 2.67Å |
| 103 | V | 84.5 | Confident | 86.7 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97.2 | -8.8 | -178.1 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | F74 N99 A100 L101 | F74-V103 HydrophobicContact CB-CG2 3.92Å; F74-V103 HydrophobicContact CD2-CG2 4.23Å; N99-V103 PolarHBondContact O-N 2.93Å; A100-V103 VanDerWaalsContact O-CG2 3.24Å; A100-V103 WeakPolarHBondContact O-CG2 3.47Å; A100-V103 PolarHBondContact O-N 2.89Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 3.31Å |
| 104 | C | 80.2 | Confident | 86.5 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | trans | -80.8 | 145.6 | 179.9 | 79.2 | 0 | 0 | 0 | 0 | 111.4 | F74 A100 L101 Q106 P107 L110 | F74-C104 HydrophobicContact CD2-CB 4.34Å; F74-C104 HydrophobicContact CE2-CB 4.34Å; A100-C104 PolarHBondContact O-N 2.93Å; L101-C104 PolarHBondContact O-SG 3.4Å; C104-Q106 VanDerWaalsContact C-N 3.32Å; C104-P107 WeakPolarHBondContact SG-CA 3.34Å; C104-P107 VanDerWaalsContact SG-N 3.42Å; C104-L110 HydrophobicContact CB-CD2 4.22Å | ||
| 105 | G | 75.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 55% | 0.546 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.7 | -19.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 106 | Q | 79.6 | Confident | 86 | Confident | 138 Ų | 138 | 54 Ų | 54 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | trans | -138.2 | 82.3 | -176.9 | -69.6 | -178.9 | -10.4 | 0 | 0 | 110 | C104 Q108 E109 L110 | C104-Q106 VanDerWaalsContact C-N 3.32Å; Q106-Q108 VanDerWaalsContact C-N 3.27Å; Q106-Q108 PolarHBondContact O-N 3.47Å; Q106-E109 HydrophobicContact CB-CB 4.5Å; Q106-L110 PolarHBondContact O-N 3.32Å | ||
| 107 | P | 81.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 20% | 0.195 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -28.9 | -176.3 | 25.1 | -33.7 | 0 | 0 | 0 | 113.3 | L101 C104 L111 I133 | L101-P107 HydrophobicContact CD2-CB 3.89Å; L101-P107 WeakPolarHBondContact CD2-O 3.43Å; C104-P107 WeakPolarHBondContact SG-CA 3.34Å; C104-P107 VanDerWaalsContact SG-N 3.42Å; P107-L111 VanDerWaalsContact O-CB 3.24Å; P107-L111 WeakPolarHBondContact O-CB 3.38Å; P107-L111 PolarHBondContact O-N 2.98Å; P107-I133 HydrophobicContact CB-CD1 4.15Å; P107-I133 HydrophobicContact CB-CG2 3.81Å; P107-I133 HydrophobicContact CG-CG2 4.27Å |
| 108 | Q | 79.6 | Confident | 85.5 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -44.3 | -178.6 | -65.7 | -167.7 | -8.2 | 0 | 0 | 113.2 | Q106 L110 L111 K112 Q136 F137 D140 | Q106-Q108 VanDerWaalsContact C-N 3.27Å; Q106-Q108 PolarHBondContact O-N 3.47Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.95Å; Q108-L111 PolarHBondContact O-N 3.44Å; Q108-K112 WeakPolarHBondContact O-CG 3Å; Q108-K112 PolarHBondContact O-N 3.05Å; Q108-Q136 PolarHBondContact NE2-O 3.04Å; Q108-F137 HydrophobicContact CB-CD2 4.11Å; Q108-F137 HydrophobicContact CG-CD2 4.13Å; Q108-D140 VanDerWaalsContact CD-OD2 3.26Å; Q108-D140 PolarHBondContact NE2-OD2 2.96Å; Q108-D140 PolarHBondContact OE1-OD2 3.23Å; Q108-D140 VanDerWaalsContact OE1-OD2 3.07Å |
| 109 | E | 82.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 60.9 Ų | 60.9 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 179.1 | -164.9 | 60.2 | -159.8 | 0 | 0 | 110.7 | Q106 L111 K112 V113 | Q106-E109 HydrophobicContact CB-CB 4.5Å; E109-L111 VanDerWaalsContact C-N 3.32Å; E109-L111 PolarHBondContact O-N 2.95Å; E109-K112 WeakPolarHBondContact O-CB 3.33Å; E109-K112 PolarHBondContact O-N 3Å; E109-K112 IonicContact OE2-NZ 3.25Å; E109-K112 PolarHBondContact OE2-NZ 3.02Å; E109-V113 WeakPolarHBondContact O-CG2 3.42Å; E109-V113 PolarHBondContact O-N 3.29Å; E109-V113 VanDerWaalsContact O-N 3.13Å |
| 110 | L | 85.8 | Confident | 85.2 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 173.9 | -174.5 | 64.2 | 0 | 0 | 0 | 112.2 | F74 L101 C104 Q106 Q108 V113 F114 | F74-L110 HydrophobicContact CE2-CD1 4.26Å; F74-L110 HydrophobicContact CE2-CD2 3.49Å; F74-L110 VanDerWaalsContact CE2-CD2 3.49Å; F74-L110 HydrophobicContact CZ-CD1 3.91Å; F74-L110 HydrophobicContact CZ-CD2 4.01Å; L101-L110 HydrophobicContact CD2-CB 4.21Å; L101-L110 HydrophobicContact CD2-CD2 3.81Å; L101-L110 HydrophobicContact CD2-CG 4.2Å; L101-L110 HydrophobicContact CG-CD2 4.13Å; C104-L110 HydrophobicContact CB-CD2 4.22Å; Q106-L110 PolarHBondContact O-N 3.32Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.95Å; L110-V113 PolarHBondContact O-N 2.72Å; L110-F114 HydrophobicContact CD1-CD1 4.29Å; L110-F114 HydrophobicContact CD1-CE1 3.73Å; L110-F114 HydrophobicContact CD1-CE2 4.35Å; L110-F114 HydrophobicContact CD1-CZ 3.76Å; L110-F114 HydrophobicContact CD2-CE2 3.93Å; L110-F114 HydrophobicContact CD2-CZ 3.87Å; L110-F114 HydrophobicContact CG-CD2 4.25Å; L110-F114 HydrophobicContact CG-CE1 4.1Å; L110-F114 HydrophobicContact CG-CE2 3.82Å; L110-F114 HydrophobicContact CG-CZ 3.73Å; L110-F114 WeakPolarHBondContact O-CG 3.46Å; L110-F114 PolarHBondContact O-N 3.43Å |
| 111 | L | 87.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 178.3 | -162.2 | 67.9 | 0 | 0 | 0 | 111.8 | L101 P107 Q108 E109 F114 K115 F123 L126 L127 F137 | L101-L111 HydrophobicContact CD1-CD1 4.12Å; P107-L111 VanDerWaalsContact O-CB 3.24Å; P107-L111 WeakPolarHBondContact O-CB 3.38Å; P107-L111 PolarHBondContact O-N 2.98Å; Q108-L111 PolarHBondContact O-N 3.44Å; E109-L111 VanDerWaalsContact C-N 3.32Å; E109-L111 PolarHBondContact O-N 2.95Å; L111-F114 PolarHBondContact O-N 3.27Å; L111-K115 PolarHBondContact O-N 3.49Å; L111-F123 HydrophobicContact CD1-CE2 3.69Å; L111-F123 HydrophobicContact CD1-CZ 4.05Å; L111-F123 HydrophobicContact CG-CE2 3.98Å; L111-F123 HydrophobicContact CG-CZ 3.96Å; L111-L126 HydrophobicContact CD1-CD2 4.29Å; L111-L127 HydrophobicContact CD1-CD2 4.24Å; L111-L127 HydrophobicContact CD2-CD2 4.08Å; L111-F137 HydrophobicContact CB-CD2 4.46Å; L111-F137 HydrophobicContact CB-CE2 4.46Å; L111-F137 HydrophobicContact CD2-CB 3.92Å; L111-F137 HydrophobicContact CD2-CD1 3.77Å; L111-F137 HydrophobicContact CD2-CD2 3.91Å; L111-F137 HydrophobicContact CD2-CE1 4.24Å; L111-F137 HydrophobicContact CD2-CE2 4.36Å; L111-F137 HydrophobicContact CD2-CG 3.59Å |
| 112 | K | 86.4 | Confident | 85.1 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 169.9 | -67.3 | 174.9 | -169.1 | 166.9 | 0 | 111.2 | Q108 E109 F114 K115 H116 F137 | Q108-K112 WeakPolarHBondContact O-CG 3Å; Q108-K112 PolarHBondContact O-N 3.05Å; E109-K112 WeakPolarHBondContact O-CB 3.33Å; E109-K112 PolarHBondContact O-N 3Å; E109-K112 IonicContact OE2-NZ 3.25Å; E109-K112 PolarHBondContact OE2-NZ 3.02Å; K112-F114 VanDerWaalsContact C-N 3.35Å; K112-F114 PolarHBondContact O-N 3.45Å; K112-K115 WeakPolarHBondContact O-CB 3.45Å; K112-K115 PolarHBondContact O-N 2.97Å; K112-H116 PolarHBondContact O-CD2 3.22Å; K112-H116 PolarHBondContact O-N 3.19Å; K112-F137 HydrophobicContact CG-CE2 3.89Å; K112-F137 HydrophobicContact CG-CZ 4.27Å |
| 113 | V | 89.1 | Confident | 85.3 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | E109 L110 K115 H116 T117 | E109-V113 WeakPolarHBondContact O-CG2 3.42Å; E109-V113 PolarHBondContact O-N 3.29Å; E109-V113 VanDerWaalsContact O-N 3.13Å; L110-V113 PolarHBondContact O-N 2.72Å; V113-K115 VanDerWaalsContact C-N 3.29Å; V113-K115 PolarHBondContact O-N 3.28Å; V113-H116 PolarHBondContact O-N 2.92Å; V113-T117 HydrophobicContact CG1-CG2 4.12Å; V113-T117 WeakPolarHBondContact O-CG2 3.46Å; V113-T117 PolarHBondContact O-N 3.49Å; V113-T117 PolarHBondContact O-OG1 3.47Å |
| 114 | F | 88.9 | Confident | 85.5 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 4% | 0.044 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -33 | 178.2 | -73.4 | -8.8 | 0 | 0 | 0 | 113.6 | V78 L97 L101 L110 L111 K112 H116 T117 L118 F123 L126 | V78-F114 HydrophobicContact CG2-CZ 4.44Å; L97-F114 HydrophobicContact CB-CE2 4.24Å; L97-F114 HydrophobicContact CD2-CE1 4.16Å; L97-F114 HydrophobicContact CD2-CE2 4.16Å; L97-F114 HydrophobicContact CD2-CZ 3.7Å; L101-F114 HydrophobicContact CD1-CD2 4.32Å; L101-F114 HydrophobicContact CD1-CE2 4.22Å; L101-F114 HydrophobicContact CG-CE2 4.14Å; L110-F114 HydrophobicContact CD1-CD1 4.29Å; L110-F114 HydrophobicContact CD1-CE1 3.73Å; L110-F114 HydrophobicContact CD1-CE2 4.35Å; L110-F114 HydrophobicContact CD1-CZ 3.76Å; L110-F114 HydrophobicContact CD2-CE2 3.93Å; L110-F114 HydrophobicContact CD2-CZ 3.87Å; L110-F114 HydrophobicContact CG-CD2 4.25Å; L110-F114 HydrophobicContact CG-CE1 4.1Å; L110-F114 HydrophobicContact CG-CE2 3.82Å; L110-F114 HydrophobicContact CG-CZ 3.73Å; L110-F114 WeakPolarHBondContact O-CG 3.46Å; L110-F114 PolarHBondContact O-N 3.43Å; L111-F114 PolarHBondContact O-N 3.27Å; K112-F114 VanDerWaalsContact C-N 3.35Å; K112-F114 PolarHBondContact O-N 3.45Å; F114-H116 PolarHBondContact O-N 2.95Å; F114-T117 PolarHBondContact O-N 3.46Å; F114-L118 HydrophobicContact CB-CD1 3.8Å; F114-L118 HydrophobicContact CB-CG 4.3Å; F114-L118 HydrophobicContact CD1-CD1 4.49Å; F114-L118 HydrophobicContact CD2-CD1 4.46Å; F114-L118 HydrophobicContact CG-CD1 4.03Å; F114-L118 VanDerWaalsContact O-CB 3.24Å; F114-L118 WeakPolarHBondContact O-CB 3.32Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 3.18Å; F114-F123 HydrophobicContact CB-CD2 4.26Å; F114-F123 HydrophobicContact CB-CE2 4.12Å; F114-L126 HydrophobicContact CD2-CD2 3.79Å; F114-L126 HydrophobicContact CE2-CD2 4.39Å |
| 115 | K | 87.6 | Confident | 85.8 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 173.4 | -173.1 | 180 | 178 | 180 | 0 | 112.1 | L111 K112 V113 F123 | L111-K115 PolarHBondContact O-N 3.49Å; K112-K115 WeakPolarHBondContact O-CB 3.45Å; K112-K115 PolarHBondContact O-N 2.97Å; V113-K115 VanDerWaalsContact C-N 3.29Å; V113-K115 PolarHBondContact O-N 3.28Å; K115-F123 HydrophobicContact CB-CE1 4.32Å; K115-F123 HydrophobicContact CB-CE2 3.96Å; K115-F123 HydrophobicContact CB-CZ 3.84Å; K115-F123 HydrophobicContact CG-CE1 4.27Å; K115-F123 HydrophobicContact CG-CZ 4.27Å |
| 116 | H | 87 | Confident | 86.4 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 75% | 0.745 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -88.3 | -25.1 | -179.8 | -68.3 | -65.6 | 0 | 0 | 0 | 113.9 | K112 V113 F114 | K112-H116 PolarHBondContact O-CD2 3.22Å; K112-H116 PolarHBondContact O-N 3.19Å; V113-H116 PolarHBondContact O-N 2.92Å; F114-H116 PolarHBondContact O-N 2.95Å |
| 117 | T | 89 | Confident | 86.7 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -99.8 | -23.1 | -175.5 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | V113 F114 | V113-T117 HydrophobicContact CG1-CG2 4.12Å; V113-T117 WeakPolarHBondContact O-CG2 3.46Å; V113-T117 PolarHBondContact O-N 3.49Å; V113-T117 PolarHBondContact O-OG1 3.47Å; F114-T117 PolarHBondContact O-N 3.46Å |
| 118 | L | 87.9 | Confident | 86.9 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -100 | 145.8 | -176.4 | -58 | 177.9 | 0 | 0 | 0 | 112 | L85 L97 F114 V122 L126 | L85-L118 HydrophobicContact CD1-CD2 3.63Å; L97-L118 HydrophobicContact CD1-CD1 3.72Å; L97-L118 HydrophobicContact CD1-CD2 4.05Å; F114-L118 HydrophobicContact CB-CD1 3.8Å; F114-L118 HydrophobicContact CB-CG 4.3Å; F114-L118 HydrophobicContact CD1-CD1 4.49Å; F114-L118 HydrophobicContact CD2-CD1 4.46Å; F114-L118 HydrophobicContact CG-CD1 4.03Å; F114-L118 VanDerWaalsContact O-CB 3.24Å; F114-L118 WeakPolarHBondContact O-CB 3.32Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 3.18Å; L118-V122 HydrophobicContact CD1-CG1 4.45Å; L118-L126 HydrophobicContact CD1-CD2 4.4Å |
| 119 | P | 87.1 | Confident | 87 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -58.6 | 144.7 | 169.2 | -22.9 | 33.2 | 0 | 0 | 0 | 111.5 | K121 V122 F123 | P119-K121 VanDerWaalsContact C-N 3.26Å; P119-K121 PolarHBondContact O-N 3.08Å; P119-K121 VanDerWaalsContact O-N 3.11Å; P119-V122 HydrophobicContact CB-CG2 4.35Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 PolarHBondContact O-N 3.43Å; P119-F123 PolarHBondContact O-N 2.97Å; P119-F123 VanDerWaalsContact O-N 3.12Å | ||
| 120 | P | 85.4 | Confident | 87 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 67% | 0.669 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.9 | -42.9 | -175.3 | -28.5 | 33.6 | 0 | 0 | 0 | 113.6 | V122 F123 E124 | P120-V122 VanDerWaalsContact C-N 3.31Å; P120-V122 PolarHBondContact O-N 3.39Å; P120-F123 PolarHBondContact O-N 3.41Å; P120-E124 PolarHBondContact O-N 3.1Å |
| 121 | K | 88.1 | Confident | 86.3 | Confident | 144 Ų | 144 | 69.8 Ų | 69.8 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.8 | -38.4 | 177.8 | -176.2 | 175.6 | -179.5 | 176.8 | 0 | 113.4 | P119 M125 | P119-K121 VanDerWaalsContact C-N 3.26Å; P119-K121 PolarHBondContact O-N 3.08Å; P119-K121 VanDerWaalsContact O-N 3.11Å; K121-M125 HydrophobicContact CG-CE 4.45Å; K121-M125 WeakPolarHBondContact O-CE 3.5Å; K121-M125 WeakPolarHBondContact O-CG 3.48Å; K121-M125 PolarHBondContact O-N 3Å |
| 122 | V | 88.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75 | -39.9 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | L85 H90 V94 L118 P119 P120 M125 L126 | L85-V122 HydrophobicContact CD1-CG1 4.15Å; L85-V122 HydrophobicContact CD2-CB 4.46Å; L85-V122 HydrophobicContact CD2-CG1 3.56Å; L85-V122 HydrophobicContact CD2-CG2 4.02Å; H90-V122 HydrophobicContact CB-CG2 4.45Å; V94-V122 HydrophobicContact CG2-CG1 3.74Å; L118-V122 HydrophobicContact CD1-CG1 4.45Å; P119-V122 HydrophobicContact CB-CG2 4.35Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 PolarHBondContact O-N 3.43Å; P120-V122 VanDerWaalsContact C-N 3.31Å; P120-V122 PolarHBondContact O-N 3.39Å; V122-M125 HydrophobicContact CB-CE 4.44Å; V122-M125 HydrophobicContact CG2-CE 4.23Å; V122-M125 PolarHBondContact O-N 3.38Å; V122-L126 PolarHBondContact O-N 3.04Å |
| 123 | F | 88.9 | Confident | 84.6 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.6 | -170.9 | -105.8 | 0 | 0 | 0 | 111.6 | L111 F114 K115 P119 P120 M125 L126 L127 | L111-F123 HydrophobicContact CD1-CE2 3.69Å; L111-F123 HydrophobicContact CD1-CZ 4.05Å; L111-F123 HydrophobicContact CG-CE2 3.98Å; L111-F123 HydrophobicContact CG-CZ 3.96Å; F114-F123 HydrophobicContact CB-CD2 4.26Å; F114-F123 HydrophobicContact CB-CE2 4.12Å; K115-F123 HydrophobicContact CB-CE1 4.32Å; K115-F123 HydrophobicContact CB-CE2 3.96Å; K115-F123 HydrophobicContact CB-CZ 3.84Å; K115-F123 HydrophobicContact CG-CE1 4.27Å; K115-F123 HydrophobicContact CG-CZ 4.27Å; P119-F123 PolarHBondContact O-N 2.97Å; P119-F123 VanDerWaalsContact O-N 3.12Å; P120-F123 PolarHBondContact O-N 3.41Å; F123-M125 VanDerWaalsContact C-N 3.31Å; F123-M125 PolarHBondContact O-N 3.47Å; F123-L126 WeakPolarHBondContact O-CA 3.18Å; F123-L126 VanDerWaalsContact O-CB 3.28Å; F123-L126 WeakPolarHBondContact O-CB 3.16Å; F123-L126 PolarHBondContact O-N 3.45Å; F123-L127 HydrophobicContact CD1-CD1 3.95Å; F123-L127 HydrophobicContact CD1-CG 4.22Å; F123-L127 HydrophobicContact CE1-CD1 3.7Å; F123-L127 HydrophobicContact CE1-CD2 4.01Å; F123-L127 HydrophobicContact CE1-CG 4.02Å; F123-L127 HydrophobicContact CZ-CD1 4.49Å; F123-L127 HydrophobicContact CZ-CD2 3.97Å; F123-L127 HydrophobicContact CZ-CG 4.42Å; F123-L127 WeakPolarHBondContact O-CG 3.41Å; F123-L127 PolarHBondContact O-N 3.41Å |
| 124 | E | 88.4 | Confident | 83.5 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.3 | -39.6 | 175.4 | -75.2 | -177.1 | 175 | 0 | 0 | 113.2 | P120 L126 L127 H128 | P120-E124 PolarHBondContact O-N 3.1Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 2.89Å; E124-L127 PolarHBondContact O-N 3.28Å; E124-H128 PolarHBondContact O-N 3.01Å; E124-H128 VanDerWaalsContact O-N 3.09Å; E124-H128 PolarHBondContact O-ND1 3.24Å |
| 125 | M | 86.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 30% | 0.3 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 174.7 | -74.6 | -172.5 | -65.2 | 0 | 0 | 112.2 | H90 V94 K121 V122 F123 K129 | H90-M125 HydrophobicContact CB-CE 3.47Å; H90-M125 VanDerWaalsContact CB-CE 3.47Å; V94-M125 HydrophobicContact CG1-CB 4.44Å; V94-M125 HydrophobicContact CG2-CB 4Å; V94-M125 HydrophobicContact CG2-CE 4.39Å; K121-M125 HydrophobicContact CG-CE 4.45Å; K121-M125 WeakPolarHBondContact O-CE 3.5Å; K121-M125 WeakPolarHBondContact O-CG 3.48Å; K121-M125 PolarHBondContact O-N 3Å; V122-M125 HydrophobicContact CB-CE 4.44Å; V122-M125 HydrophobicContact CG2-CE 4.23Å; V122-M125 PolarHBondContact O-N 3.38Å; F123-M125 VanDerWaalsContact C-N 3.31Å; F123-M125 PolarHBondContact O-N 3.47Å; M125-K129 PolarHBondContact O-N 3.05Å |
| 126 | L | 88.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.7 | -44 | 174.8 | -174.2 | 66.9 | 0 | 0 | 0 | 111 | V94 L97 L101 L111 F114 L118 V122 F123 E124 H128 K129 I130 | V94-L126 HydrophobicContact CG1-CB 4.11Å; V94-L126 HydrophobicContact CG1-CD1 3.91Å; L97-L126 HydrophobicContact CB-CD1 4Å; L97-L126 HydrophobicContact CB-CD2 4.48Å; L101-L126 HydrophobicContact CD1-CD1 4.25Å; L101-L126 HydrophobicContact CD1-CD2 3.93Å; L101-L126 HydrophobicContact CD1-CG 4.21Å; L111-L126 HydrophobicContact CD1-CD2 4.29Å; F114-L126 HydrophobicContact CD2-CD2 3.79Å; F114-L126 HydrophobicContact CE2-CD2 4.39Å; L118-L126 HydrophobicContact CD1-CD2 4.4Å; V122-L126 PolarHBondContact O-N 3.04Å; F123-L126 WeakPolarHBondContact O-CA 3.18Å; F123-L126 VanDerWaalsContact O-CB 3.28Å; F123-L126 WeakPolarHBondContact O-CB 3.16Å; F123-L126 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact C-N 3.28Å; E124-L126 PolarHBondContact O-N 2.89Å; L126-H128 PolarHBondContact O-N 3.4Å; L126-K129 PolarHBondContact O-N 3.04Å; L126-K129 VanDerWaalsContact O-N 3.12Å; L126-I130 HydrophobicContact CD1-CD1 3.92Å; L126-I130 HydrophobicContact CG-CD1 4.37Å; L126-I130 PolarHBondContact O-N 3.33Å |
| 127 | L | 86.4 | Confident | 80.5 | Confident | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 178.8 | -62.8 | 178.1 | 0 | 0 | 0 | 112 | L111 F123 E124 K129 I130 C134 | L111-L127 HydrophobicContact CD1-CD2 4.24Å; L111-L127 HydrophobicContact CD2-CD2 4.08Å; F123-L127 HydrophobicContact CD1-CD1 3.95Å; F123-L127 HydrophobicContact CD1-CG 4.22Å; F123-L127 HydrophobicContact CE1-CD1 3.7Å; F123-L127 HydrophobicContact CE1-CD2 4.01Å; F123-L127 HydrophobicContact CE1-CG 4.02Å; F123-L127 HydrophobicContact CZ-CD1 4.49Å; F123-L127 HydrophobicContact CZ-CD2 3.97Å; F123-L127 HydrophobicContact CZ-CG 4.42Å; F123-L127 WeakPolarHBondContact O-CG 3.41Å; F123-L127 PolarHBondContact O-N 3.41Å; E124-L127 PolarHBondContact O-N 3.28Å; L127-K129 PolarHBondContact O-N 3.03Å; L127-K129 VanDerWaalsContact O-N 3.14Å; L127-I130 CarbonylContact O-C 3.49Å; L127-I130 PolarHBondContact O-N 3.08Å; L127-I130 VanDerWaalsContact O-N 3.16Å; L127-C134 WeakPolarHBondContact CA-SG 3.45Å; L127-C134 HydrophobicContact CD2-CB 4.35Å; L127-C134 WeakPolarHBondContact CD2-SG 3.46Å; L127-C134 PolarHBondContact O-SG 3.38Å; L127-C134 VanDerWaalsContact O-SG 3.36Å |
| 128 | H | 85.5 | Confident | 79.5 | Confident | 162 Ų | 162 | 68.1 Ų | 68.1 | 75% | 0.75 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.2 | -28.8 | 176.8 | -83.3 | 79.2 | 0 | 0 | 0 | 113.5 | E124 L126 | E124-H128 PolarHBondContact O-N 3.01Å; E124-H128 VanDerWaalsContact O-N 3.09Å; E124-H128 PolarHBondContact O-ND1 3.24Å; L126-H128 PolarHBondContact O-N 3.4Å |
| 129 | K | 80.3 | Confident | 78.4 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -85.1 | -19.3 | -176.2 | -157.6 | 165.8 | -174.5 | 171.5 | 0 | 112.9 | V94 M125 L126 L127 P131 | V94-K129 HydrophobicContact CG1-CD 3.9Å; M125-K129 PolarHBondContact O-N 3.05Å; L126-K129 PolarHBondContact O-N 3.04Å; L126-K129 VanDerWaalsContact O-N 3.12Å; L127-K129 PolarHBondContact O-N 3.03Å; L127-K129 VanDerWaalsContact O-N 3.14Å; K129-P131 VanDerWaalsContact C-CD 3.4Å |
| 130 | I | 82.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.077 | 35% | 0.349 | C | S | . | . | trans | -130.4 | 59.2 | -175.9 | -38.2 | 174.4 | 0 | 0 | 0 | 110.6 | S98 L101 L126 L127 L132 I133 C134 | S98-I130 VanDerWaalsContact OG-CD1 3.27Å; S98-I130 WeakPolarHBondContact OG-CD1 3.42Å; S98-I130 VanDerWaalsContact OG-CG1 3.29Å; S98-I130 WeakPolarHBondContact OG-CG1 3.42Å; L101-I130 HydrophobicContact CB-CD1 4.07Å; L101-I130 HydrophobicContact CD1-CD1 3.5Å; L101-I130 VanDerWaalsContact CD1-CD1 3.5Å; L101-I130 HydrophobicContact CG-CD1 4.43Å; L126-I130 HydrophobicContact CD1-CD1 3.92Å; L126-I130 HydrophobicContact CG-CD1 4.37Å; L126-I130 PolarHBondContact O-N 3.33Å; L127-I130 CarbonylContact O-C 3.49Å; L127-I130 PolarHBondContact O-N 3.08Å; L127-I130 VanDerWaalsContact O-N 3.16Å; I130-L132 PolarHBondContact O-N 3.08Å; I130-L132 VanDerWaalsContact O-N 3.16Å; I130-I133 HydrophobicContact CG2-CB 3.68Å; I130-I133 HydrophobicContact CG2-CD1 3.53Å; I130-I133 HydrophobicContact CG2-CG1 3.49Å; I130-I133 VanDerWaalsContact CG2-CG1 3.49Å; I130-I133 PolarHBondContact O-N 3.22Å; I130-I133 VanDerWaalsContact O-N 3.15Å; I130-C134 PolarHBondContact O-N 3.43Å; I130-C134 PolarHBondContact O-SG 3.01Å | ||
| 131 | P | 72.5 | Confident | 76.1 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -33.7 | -171.6 | 23.9 | -34.4 | 0 | 0 | 0 | 112.9 | K129 I133 C134 Q135 | K129-P131 VanDerWaalsContact C-CD 3.4Å; P131-I133 PolarHBondContact O-N 3.3Å; P131-C134 PolarHBondContact O-N 2.99Å; P131-Q135 WeakPolarHBondContact O-CG 3.2Å; P131-Q135 PolarHBondContact O-N 2.73Å |
| 132 | L | 68.8 | Low | 74.9 | Confident | 131 Ų | 131 | 65.3 Ų | 65.3 | 69% | 0.686 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | -179.3 | -64.8 | 174.9 | 0 | 0 | 0 | 113.4 | I130 | I130-L132 PolarHBondContact O-N 3.08Å; I130-L132 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 68.8 | Low | 73.5 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.4 | -35 | 177.1 | -62.6 | -172.6 | 0 | 0 | 0 | 109.9 | L101 P107 I130 P131 Q136 F137 | L101-I133 HydrophobicContact CB-CD1 4.38Å; P107-I133 HydrophobicContact CB-CD1 4.15Å; P107-I133 HydrophobicContact CB-CG2 3.81Å; P107-I133 HydrophobicContact CG-CG2 4.27Å; I130-I133 HydrophobicContact CG2-CB 3.68Å; I130-I133 HydrophobicContact CG2-CD1 3.53Å; I130-I133 HydrophobicContact CG2-CG1 3.49Å; I130-I133 VanDerWaalsContact CG2-CG1 3.49Å; I130-I133 PolarHBondContact O-N 3.22Å; I130-I133 VanDerWaalsContact O-N 3.15Å; P131-I133 PolarHBondContact O-N 3.3Å; I133-Q136 PolarHBondContact O-N 3.07Å; I133-F137 WeakPolarHBondContact O-CB 3.42Å; I133-F137 PolarHBondContact O-N 2.85Å |
| 134 | C | 66.6 | Low | 71.9 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | L127 I130 P131 Q136 F137 E138 | L127-C134 WeakPolarHBondContact CA-SG 3.45Å; L127-C134 HydrophobicContact CD2-CB 4.35Å; L127-C134 WeakPolarHBondContact CD2-SG 3.46Å; L127-C134 PolarHBondContact O-SG 3.38Å; L127-C134 VanDerWaalsContact O-SG 3.36Å; I130-C134 PolarHBondContact O-N 3.43Å; I130-C134 PolarHBondContact O-SG 3.01Å; P131-C134 PolarHBondContact O-N 2.99Å; C134-Q136 VanDerWaalsContact C-N 3.27Å; C134-Q136 PolarHBondContact O-N 3.26Å; C134-F137 WeakPolarHBondContact O-CB 3.09Å; C134-F137 PolarHBondContact O-N 3.07Å; C134-F137 VanDerWaalsContact O-N 3.1Å; C134-E138 WeakPolarHBondContact O-CB 3.31Å; C134-E138 WeakPolarHBondContact O-CG 3.42Å; C134-E138 PolarHBondContact O-N 3.31Å |
| 135 | Q | 68.8 | Low | 70.1 | Confident | 123 Ų | 123 | 76.4 Ų | 76.4 | 58% | 0.575 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 176.7 | -74.6 | 174.7 | -1.4 | 0 | 0 | 112.6 | P131 A139 | P131-Q135 WeakPolarHBondContact O-CG 3.2Å; P131-Q135 PolarHBondContact O-N 2.73Å; Q135-A139 VanDerWaalsContact O-CB 3.26Å; Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 2.92Å |
| 136 | Q | 61.8 | Low | 68.3 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 174.1 | -71.6 | 174.1 | -13.9 | 0 | 0 | 111.5 | Q108 I133 C134 D140 | Q108-Q136 PolarHBondContact NE2-O 3.04Å; I133-Q136 PolarHBondContact O-N 3.07Å; C134-Q136 VanDerWaalsContact C-N 3.27Å; C134-Q136 PolarHBondContact O-N 3.26Å; Q136-D140 PolarHBondContact O-N 2.77Å; Q136-D140 VanDerWaalsContact O-N 3.07Å; Q136-D140 VanDerWaalsContact O-OD1 3.05Å |
| 137 | F | 69 | Low | 66.5 | Low | 19 Ų | 19 | 84.7 Ų | 84.7 | 8% | 0.083 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.4 | 179.6 | -102.8 | 0 | 0 | 0 | 113.1 | Q108 L111 K112 I133 C134 M141 | Q108-F137 HydrophobicContact CB-CD2 4.11Å; Q108-F137 HydrophobicContact CG-CD2 4.13Å; L111-F137 HydrophobicContact CB-CD2 4.46Å; L111-F137 HydrophobicContact CB-CE2 4.46Å; L111-F137 HydrophobicContact CD2-CB 3.92Å; L111-F137 HydrophobicContact CD2-CD1 3.77Å; L111-F137 HydrophobicContact CD2-CD2 3.91Å; L111-F137 HydrophobicContact CD2-CE1 4.24Å; L111-F137 HydrophobicContact CD2-CE2 4.36Å; L111-F137 HydrophobicContact CD2-CG 3.59Å; K112-F137 HydrophobicContact CG-CE2 3.89Å; K112-F137 HydrophobicContact CG-CZ 4.27Å; I133-F137 WeakPolarHBondContact O-CB 3.42Å; I133-F137 PolarHBondContact O-N 2.85Å; C134-F137 WeakPolarHBondContact O-CB 3.09Å; C134-F137 PolarHBondContact O-N 3.07Å; C134-F137 VanDerWaalsContact O-N 3.1Å; F137-M141 HydrophobicContact CE1-CG 4.27Å; F137-M141 HydrophobicContact CE2-CG 4.41Å; F137-M141 HydrophobicContact CZ-CG 4.17Å; F137-M141 HydrophobicContact CZ-SD 4.45Å; F137-M141 WeakPolarHBondContact O-CB 3.44Å; F137-M141 VanDerWaalsContact O-CG 3.28Å; F137-M141 WeakPolarHBondContact O-CG 3.22Å; F137-M141 PolarHBondContact O-N 3.29Å; F137-M141 VanDerWaalsContact O-N 3.09Å |
| 138 | E | 67.4 | Low | 64.9 | Low | 115 Ų | 115 | 90.7 Ų | 90.7 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 176.8 | -73 | 170.2 | -168.1 | 0 | 0 | 111.7 | C134 M141 N142 | C134-E138 WeakPolarHBondContact O-CB 3.31Å; C134-E138 WeakPolarHBondContact O-CG 3.42Å; C134-E138 PolarHBondContact O-N 3.31Å; E138-M141 PolarHBondContact O-N 2.89Å; E138-N142 VanDerWaalsContact O-CB 3.24Å; E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 PolarHBondContact O-N 3.41Å |
| 139 | A | 66.4 | Low | 63.2 | Low | 44 Ų | 44 | 89.9 Ų | 89.9 | 36% | 0.364 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q135 M141 N142 E143 | Q135-A139 VanDerWaalsContact O-CB 3.26Å; Q135-A139 WeakPolarHBondContact O-CB 3.47Å; Q135-A139 PolarHBondContact O-N 2.92Å; A139-M141 VanDerWaalsContact C-N 3.29Å; A139-M141 PolarHBondContact O-N 3.35Å; A139-N142 PolarHBondContact O-N 3.41Å; A139-E143 WeakPolarHBondContact O-CG 3.48Å; A139-E143 PolarHBondContact O-N 2.88Å |
| 140 | D | 61.2 | Low | 61.7 | Low | 66 Ų | 66 | 92.6 Ų | 92.6 | 35% | 0.353 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | -179.6 | -69.7 | 26.1 | 0 | 0 | 0 | 112 | Q108 Q136 Q144 | Q108-D140 VanDerWaalsContact CD-OD2 3.26Å; Q108-D140 PolarHBondContact NE2-OD2 2.96Å; Q108-D140 PolarHBondContact OE1-OD2 3.23Å; Q108-D140 VanDerWaalsContact OE1-OD2 3.07Å; Q136-D140 PolarHBondContact O-N 2.77Å; Q136-D140 VanDerWaalsContact O-N 3.07Å; Q136-D140 VanDerWaalsContact O-OD1 3.05Å; D140-Q144 WeakPolarHBondContact O-CB 3.43Å; D140-Q144 PolarHBondContact O-N 3.41Å; D140-Q144 VanDerWaalsContact O-N 3.16Å |
| 141 | M | 62.2 | Low | 60.4 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | 174.4 | -76.1 | -90.7 | 43.6 | 0 | 0 | 112.8 | F137 E138 A139 Q144 E145 | F137-M141 HydrophobicContact CE1-CG 4.27Å; F137-M141 HydrophobicContact CE2-CG 4.41Å; F137-M141 HydrophobicContact CZ-CG 4.17Å; F137-M141 HydrophobicContact CZ-SD 4.45Å; F137-M141 WeakPolarHBondContact O-CB 3.44Å; F137-M141 VanDerWaalsContact O-CG 3.28Å; F137-M141 WeakPolarHBondContact O-CG 3.22Å; F137-M141 PolarHBondContact O-N 3.29Å; F137-M141 VanDerWaalsContact O-N 3.09Å; E138-M141 PolarHBondContact O-N 2.89Å; A139-M141 VanDerWaalsContact C-N 3.29Å; A139-M141 PolarHBondContact O-N 3.35Å; M141-Q144 HydrophobicContact CE-CB 4.28Å; M141-Q144 PolarHBondContact O-N 2.89Å; M141-E145 PolarHBondContact O-N 2.95Å |
| 142 | N | 62.6 | Low | 59.1 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 177.4 | -173.6 | 69.5 | 0 | 0 | 0 | 111.8 | E138 A139 Q144 C146 | E138-N142 VanDerWaalsContact O-CB 3.24Å; E138-N142 WeakPolarHBondContact O-CB 3.37Å; E138-N142 PolarHBondContact O-N 3.41Å; A139-N142 PolarHBondContact O-N 3.41Å; N142-Q144 VanDerWaalsContact C-N 3.33Å; N142-C146 PolarHBondContact O-N 2.93Å; N142-C146 PolarHBondContact O-SG 3.31Å |
| 143 | E | 58.9 | Low | 58.6 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -34.2 | 172.1 | -72.9 | -175.2 | 132.3 | 0 | 0 | 112.2 | A139 | A139-E143 WeakPolarHBondContact O-CG 3.48Å; A139-E143 PolarHBondContact O-N 2.88Å |
| 144 | Q | 55.4 | Low | 58.1 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.8 | -33 | 178.9 | -159 | 157 | 3.7 | 0 | 0 | 112.6 | D140 M141 N142 | D140-Q144 WeakPolarHBondContact O-CB 3.43Å; D140-Q144 PolarHBondContact O-N 3.41Å; D140-Q144 VanDerWaalsContact O-N 3.16Å; M141-Q144 HydrophobicContact CE-CB 4.28Å; M141-Q144 PolarHBondContact O-N 2.89Å; N142-Q144 VanDerWaalsContact C-N 3.33Å |
| 145 | E | 51.9 | Low | 57.6 | Low | 139 Ų | 139 | 113.6 Ų | 113.6 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -29 | 174.6 | -154.8 | 174.8 | -179.7 | 0 | 0 | 112.2 | M141 L147 | M141-E145 PolarHBondContact O-N 2.95Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 2.91Å |
| 146 | C | 47.8 | Very low | 57 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -14 | 178.2 | -67 | 0 | 0 | 0 | 0 | 114.6 | N142 | N142-C146 PolarHBondContact O-N 2.93Å; N142-C146 PolarHBondContact O-SG 3.31Å |
| 147 | L | 52.2 | Low | 56.7 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -8.8 | -178.1 | -76.7 | 169.6 | 0 | 0 | 0 | 113.7 | E145 | E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L147 PolarHBondContact O-N 2.91Å |
| 148 | E | 51.6 | Low | 55.9 | Low | 168 Ų | 168 | 121.3 Ų | 121.3 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -92.5 | 2.8 | 179.2 | -66.6 | -172.8 | 142.9 | 0 | 0 | 113.2 | ||
| 149 | D | 51.1 | Low | 55 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | trans | -111.1 | 29.4 | -175.2 | -113.5 | -15.7 | 0 | 0 | 0 | 113.3 | P151 | D149-P151 VanDerWaalsContact O-CD 3.31Å; D149-P151 WeakPolarHBondContact O-CD 3.14Å | ||
| 150 | D | 48 | Very low | 54.2 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -95.8 | 105.2 | 166.8 | -143 | -40.4 | 0 | 0 | 0 | 109.2 | D152 | D150-D152 PolarHBondContact O-N 2.86Š| ||
| 151 | P | 54.8 | Low | 53.6 | Low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | trans | -80.6 | 112.9 | 179.7 | 31.5 | -31.5 | 0 | 0 | 0 | 110.6 | D149 | D149-P151 VanDerWaalsContact O-CD 3.31Å; D149-P151 WeakPolarHBondContact O-CD 3.14Å | ||
| 152 | D | 46.3 | Very low | 52.8 | Low | 236 Ų | 236 | 138 Ų | 138 | 100% | 1.262 | 73% | 0.726 | S | S | * | * | trans | -96 | 0 | 157.1 | -82 | -39.2 | 0 | 0 | 0 | 111.2 | D150 | D150-D152 PolarHBondContact O-N 2.86Š|
Retrieved 152 of 152 residues in 399.1 ms
(Link to these results)