| 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 | 48.5 | Very low | 55.3 | Low | 226 Ų | 226 | 109.8 Ų | 109.8 | 100% | 1.113 | 64% | 0.637 | S | S | * | * | 0 | -24.7 | 0 | -76.4 | 155.7 | 75.3 | 0 | 0 | 114.4 | |||||
| 2 | G | 50.6 | Low | 56.1 | Low | 64 Ų | 64 | 103.6 Ų | 103.6 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.6 | -26.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 3 | T | 49.8 | Very low | 56.5 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.8 | -42.1 | -170.6 | 43.7 | 0 | 0 | 0 | 0 | 114.5 | S5 F6 V7 | T3-S5 PolarHBondContact O-N 3.46Å; T3-F6 PolarHBondContact O-N 3.08Å; T3-V7 PolarHBondContact O-N 3.31Å |
| 4 | F | 47.8 | Very low | 56.4 | Low | 177 Ų | 177 | 104 Ų | 104 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.7 | -36.3 | -178.8 | -78 | -84.1 | 0 | 0 | 0 | 113.2 | F6 G8 | F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.45Å; F4-G8 PolarHBondContact O-N 3.22Å; F4-G8 VanDerWaalsContact O-N 3.11Å |
| 5 | S | 53.6 | Low | 56.8 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.8 | -33.6 | 176.8 | -164.9 | 0 | 0 | 0 | 0 | 112.4 | T3 S9 | T3-S5 PolarHBondContact O-N 3.46Å; S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.08Å |
| 6 | F | 52.6 | Low | 56.7 | Low | 145 Ų | 145 | 104.1 Ų | 104.1 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.1 | -43.4 | 179.3 | -167.3 | -111.4 | 0 | 0 | 0 | 111.6 | T3 F4 S9 I10 | T3-F6 PolarHBondContact O-N 3.08Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.45Å; F6-S9 PolarHBondContact O-N 3.47Å; F6-I10 HydrophobicContact CD1-CD1 3.7Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE2-CD1 4.47Å; F6-I10 HydrophobicContact CG-CD1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.81Å; F6-I10 WeakPolarHBondContact O-CG1 3.42Å; F6-I10 PolarHBondContact O-N 3.11Å |
| 7 | V | 57.9 | Low | 56.5 | Low | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.1 | -43.7 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | T3 S9 I10 L11 | T3-V7 PolarHBondContact O-N 3.31Å; V7-S9 PolarHBondContact O-N 2.97Å; V7-I10 PolarHBondContact O-N 2.94Å; V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 PolarHBondContact O-N 3.3Å |
| 8 | G | 64.3 | Low | 56.4 | Low | 47 Ų | 47 | 101.4 Ų | 101.4 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F4 L11 G12 | F4-G8 PolarHBondContact O-N 3.22Å; F4-G8 VanDerWaalsContact O-N 3.11Å; G8-L11 PolarHBondContact O-N 2.98Å; G8-G12 PolarHBondContact O-N 2.97Å |
| 9 | S | 56.8 | Low | 56.1 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 57% | 0.573 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67 | -36.5 | 176.7 | -164.7 | 0 | 0 | 0 | 0 | 112.7 | S5 F6 V7 L13 | S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.08Å; F6-S9 PolarHBondContact O-N 3.47Å; V7-S9 PolarHBondContact O-N 2.97Å; S9-L13 WeakPolarHBondContact O-CB 3.4Å; S9-L13 PolarHBondContact O-N 2.93Å |
| 10 | I | 65.2 | Low | 55.8 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 39% | 0.39 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -42.2 | 176.1 | -71.9 | 172.8 | 0 | 0 | 0 | 111 | F6 V7 L13 N14 | F6-I10 HydrophobicContact CD1-CD1 3.7Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE2-CD1 4.47Å; F6-I10 HydrophobicContact CG-CD1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.81Å; F6-I10 WeakPolarHBondContact O-CG1 3.42Å; F6-I10 PolarHBondContact O-N 3.11Å; V7-I10 PolarHBondContact O-N 2.94Å; I10-L13 PolarHBondContact O-N 3.46Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.5Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 2.81Å |
| 11 | L | 61.3 | Low | 55.4 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -46.3 | 173.4 | -101.9 | 88.5 | 0 | 0 | 0 | 111.2 | V7 G8 L13 N14 V15 | V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 PolarHBondContact O-N 3.3Å; G8-L11 PolarHBondContact O-N 2.98Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.39Å; L11-N14 PolarHBondContact O-N 3.44Å; L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 2.91Å |
| 12 | G | 64.4 | Low | 55.2 | Low | 35 Ų | 35 | 93.1 Ų | 93.1 | 36% | 0.361 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | G8 V15 L16 | G8-G12 PolarHBondContact O-N 2.97Å; G12-V15 PolarHBondContact O-N 3.44Å; G12-L16 WeakPolarHBondContact O-CB 3.46Å; G12-L16 PolarHBondContact O-N 3.09Å |
| 13 | L | 61.3 | Low | 55 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 177 | -158 | 80.8 | 0 | 0 | 0 | 112.2 | S9 I10 L11 L16 L17 | S9-L13 WeakPolarHBondContact O-CB 3.4Å; S9-L13 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.46Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.32Å |
| 14 | N | 55.6 | Low | 54.9 | Low | 94 Ų | 94 | 90.4 Ų | 90.4 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 177.2 | -81.6 | -86.2 | 0 | 0 | 0 | 112.5 | I10 L11 L17 A18 | I10-N14 WeakPolarHBondContact CG2-ND2 3.5Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 2.81Å; L11-N14 PolarHBondContact O-N 3.44Å; N14-L17 PolarHBondContact O-N 3.22Å; N14-A18 WeakPolarHBondContact O-CB 3.37Å; N14-A18 PolarHBondContact O-N 3.48Å |
| 15 | V | 61.7 | Low | 55 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L11 G12 L17 A18 C19 | L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 2.91Å; G12-V15 PolarHBondContact O-N 3.44Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.07Å; V15-A18 PolarHBondContact O-N 2.89Å; V15-C19 PolarHBondContact O-N 3.22Å; V15-C19 PolarHBondContact O-SG 3.4Å |
| 16 | L | 56.2 | Low | 55 | Low | 120 Ų | 120 | 87.3 Ų | 87.3 | 63% | 0.628 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 172.3 | -92.6 | 152.7 | 0 | 0 | 0 | 112 | G12 L13 C19 T20 | G12-L16 WeakPolarHBondContact O-CB 3.46Å; G12-L16 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-C19 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-N 3.03Å |
| 17 | L | 53.5 | Low | 55.1 | Low | 103 Ų | 103 | 85.5 Ų | 85.5 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 176.6 | -139.9 | 79.9 | 0 | 0 | 0 | 111.8 | L13 N14 V15 C19 T20 L21 | L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.32Å; N14-L17 PolarHBondContact O-N 3.22Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.07Å; L17-C19 PolarHBondContact O-N 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.32Å |
| 18 | A | 54.3 | Low | 55 | Low | 56 Ų | 56 | 84.2 Ų | 84.2 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N14 V15 T20 L21 A22 | N14-A18 WeakPolarHBondContact O-CB 3.37Å; N14-A18 PolarHBondContact O-N 3.48Å; V15-A18 PolarHBondContact O-N 2.89Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.18Å; A18-L21 PolarHBondContact O-N 2.89Å; A18-A22 PolarHBondContact O-N 3.38Å |
| 19 | C | 50.2 | Low | 54.7 | Low | 82 Ų | 82 | 86.3 Ų | 86.3 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -36.2 | 173.3 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | V15 L16 L17 S23 | V15-C19 PolarHBondContact O-N 3.22Å; V15-C19 PolarHBondContact O-SG 3.4Å; L16-C19 PolarHBondContact O-N 2.92Å; L17-C19 PolarHBondContact O-N 3.3Å; C19-S23 PolarHBondContact O-N 3.01Å |
| 20 | T | 50.3 | Low | 54.6 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.3 | -35.7 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | L16 L17 A18 S23 | L16-T20 PolarHBondContact O-N 3.03Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 3.46Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.18Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.41Å |
| 21 | L | 47.9 | Very low | 54.5 | Low | 131 Ų | 131 | 84 Ų | 84 | 69% | 0.686 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.6 | -35.8 | 176.9 | -72.2 | 166 | 0 | 0 | 0 | 112.7 | L17 A18 S23 S24 | L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 2.89Å; L21-S23 PolarHBondContact O-N 2.71Å; L21-S24 PolarHBondContact O-OG 3.34Å |
| 22 | A | 44.3 | Very low | 54.8 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A18 | A18-A22 PolarHBondContact O-N 3.38Š|
| 23 | S | 46.1 | Very low | 55.1 | Low | 54 Ų | 54 | 80.4 Ų | 80.4 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14 | -175.9 | 74.4 | 0 | 0 | 0 | 0 | 114.5 | C19 T20 L21 D25 F27 | C19-S23 PolarHBondContact O-N 3.01Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.41Å; L21-S23 PolarHBondContact O-N 2.71Å; S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 2.76Å; S23-F27 WeakPolarHBondContact O-CD2 3.33Å |
| 24 | S | 47.1 | Very low | 56.1 | Low | 55 Ų | 55 | 75 Ų | 75 | 39% | 0.385 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 173 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | L21 V26 F27 | L21-S24 PolarHBondContact O-OG 3.34Å; S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.35Å; S24-F27 PolarHBondContact O-N 3.11Å |
| 25 | D | 50.2 | Low | 57.5 | Low | 108 Ų | 108 | 73.3 Ų | 73.3 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -77.3 | -21.4 | -167.1 | -51.5 | -5.3 | 0 | 0 | 0 | 111.6 | S23 F27 D28 | S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 2.76Å; D25-F27 VanDerWaalsContact C-N 3.33Å; D25-F27 PolarHBondContact O-N 3.25Å; D25-D28 PolarHBondContact O-N 2.93Å |
| 26 | V | 54.8 | Low | 58.7 | Low | 97 Ų | 97 | 71.7 Ų | 71.7 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | S24 S29 | S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.35Å; V26-S29 PolarHBondContact O-OG 3.01Å |
| 27 | F | 53.3 | Low | 60.3 | Low | 108 Ų | 108 | 66 Ų | 66 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.7 | -31.1 | 178.1 | -69.5 | -77.3 | 0 | 0 | 0 | 112.8 | S23 S24 D25 S29 V30 L31 | S23-F27 WeakPolarHBondContact O-CD2 3.33Å; S24-F27 PolarHBondContact O-N 3.11Å; D25-F27 VanDerWaalsContact C-N 3.33Å; D25-F27 PolarHBondContact O-N 3.25Å; F27-S29 PolarHBondContact O-N 3.22Å; F27-V30 PolarHBondContact O-N 2.99Å; F27-L31 HydrophobicContact CB-CD1 4.05Å; F27-L31 WeakPolarHBondContact O-CB 3.31Å; F27-L31 PolarHBondContact O-N 3.18Å |
| 28 | D | 56.5 | Low | 62.1 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -27.3 | 177.7 | -84.8 | 16.9 | 0 | 0 | 0 | 113 | D25 V30 G32 | D25-D28 PolarHBondContact O-N 2.93Å; D28-V30 VanDerWaalsContact C-N 3.29Å; D28-V30 PolarHBondContact O-N 3.4Å; D28-G32 CarbonylContact O-C 3.56Å; D28-G32 VanDerWaalsContact O-C 3.25Å; D28-G32 WeakPolarHBondContact O-CA 3.42Å; D28-G32 PolarHBondContact O-N 3.07Å |
| 29 | S | 57.3 | Low | 63.8 | Low | 91 Ų | 91 | 68.5 Ų | 68.5 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.6 | -26.2 | 174.7 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | V26 F27 | V26-S29 PolarHBondContact O-OG 3.01Å; F27-S29 PolarHBondContact O-N 3.22Å |
| 30 | V | 56.3 | Low | 65.7 | Low | 82 Ų | 82 | 66.4 Ų | 66.4 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -102.6 | -42.4 | -176.5 | -179 | 0 | 0 | 0 | 0 | 111.6 | F27 D28 G32 F71 | F27-V30 PolarHBondContact O-N 2.99Å; D28-V30 VanDerWaalsContact C-N 3.29Å; D28-V30 PolarHBondContact O-N 3.4Å; V30-G32 VanDerWaalsContact C-N 3.31Å; V30-F71 HydrophobicContact CG1-CD2 3.95Å; V30-F71 HydrophobicContact CG1-CE2 3.45Å; V30-F71 VanDerWaalsContact CG1-CE2 3.45Å; V30-F71 HydrophobicContact CG1-CZ 3.78Å |
| 31 | L | 62.8 | Low | 67.6 | Low | 29 Ų | 29 | 62.3 Ų | 62.3 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -82.3 | -9.8 | 179.1 | -63.6 | -179.7 | 0 | 0 | 0 | 113.1 | F27 S67 I68 F71 | F27-L31 HydrophobicContact CB-CD1 4.05Å; F27-L31 WeakPolarHBondContact O-CB 3.31Å; F27-L31 PolarHBondContact O-N 3.18Å; L31-S67 WeakPolarHBondContact O-CB 3.44Å; L31-S67 PolarHBondContact O-OG 3.1Å; L31-I68 HydrophobicContact CD1-CD1 4.49Å; L31-I68 HydrophobicContact CD1-CG1 3.79Å; L31-I68 HydrophobicContact CD2-CG1 4.09Å; L31-F71 HydrophobicContact CD2-CB 3.81Å; L31-F71 HydrophobicContact CD2-CD1 4.29Å; L31-F71 HydrophobicContact CD2-CG 4.04Å |
| 32 | G | 66.6 | Low | 69.6 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | trans | 78.2 | 150.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D28 V30 T34 | D28-G32 CarbonylContact O-C 3.56Å; D28-G32 VanDerWaalsContact O-C 3.25Å; D28-G32 WeakPolarHBondContact O-CA 3.42Å; D28-G32 PolarHBondContact O-N 3.07Å; V30-G32 VanDerWaalsContact C-N 3.31Å; G32-T34 PolarHBondContact O-N 3.04Å | ||
| 33 | S | 72.1 | Confident | 71.6 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | trans | -65.6 | 118.1 | -177.3 | -173 | 0 | 0 | 0 | 0 | 111.9 | A35 | S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 WeakPolarHBondContact OG-CB 3.37Å; S33-A35 PolarHBondContact OG-N 3.49Å | ||
| 34 | T | 81.1 | Confident | 73.5 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | trans | -83.4 | -2.2 | 171.8 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | G32 S36 C37 H38 R64 | G32-T34 PolarHBondContact O-N 3.04Å; T34-S36 PolarHBondContact O-N 3.38Å; T34-S36 VanDerWaalsContact O-N 3.12Å; T34-C37 PolarHBondContact O-N 3.45Å; T34-H38 PolarHBondContact O-CD2 3.06Å; T34-H38 VanDerWaalsContact O-CD2 3.29Å; T34-H38 PolarHBondContact O-N 3.09Å; T34-H38 PolarHBondContact OG1-CD2 3.48Å; T34-H38 PolarHBondContact OG1-CE1 2.67Å; T34-H38 PolarHBondContact OG1-NE2 3.3Å; T34-R64 HydrophobicContact CG2-CB 4.45Å | ||
| 35 | A | 84.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.7 | -33.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S33 K39 | S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 WeakPolarHBondContact OG-CB 3.37Å; S33-A35 PolarHBondContact OG-N 3.49Å; A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.34Å |
| 36 | S | 88 | Confident | 76.4 | Confident | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 174.8 | -162.5 | 0 | 0 | 0 | 0 | 112 | T34 K39 S40 F112 | T34-S36 PolarHBondContact O-N 3.38Å; T34-S36 VanDerWaalsContact O-N 3.12Å; S36-K39 PolarHBondContact O-N 3.34Å; S36-S40 PolarHBondContact O-N 3.37Å; S36-F112 WeakPolarHBondContact OG-CE1 3.46Å; S36-F112 WeakPolarHBondContact OG-CZ 3.49Å |
| 37 | C | 90.3 | Very high | 77.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | T34 K39 S40 C41 C63 G105 F112 | T34-C37 PolarHBondContact O-N 3.45Å; C37-K39 VanDerWaalsContact C-N 3.31Å; C37-K39 PolarHBondContact O-N 2.87Å; C37-S40 CarbonylContact O-C 3.25Å; C37-S40 WeakPolarHBondContact O-CA 3.2Å; C37-S40 VanDerWaalsContact O-CB 3.32Å; C37-S40 WeakPolarHBondContact O-CB 3.44Å; C37-S40 PolarHBondContact O-N 3.23Å; C37-S40 VanDerWaalsContact O-N 3.09Å; C37-C41 PolarHBondContact O-N 3.04Å; C37-C41 PolarHBondContact O-SG 3.02Å; C37-C63 VanDerWaalsContact C-SG 3.51Å; C37-C63 HydrophobicContact CB-CB 3.67Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.23Å; C37-G105 PolarHBondContact SG-O 3.26Å; C37-G105 VanDerWaalsContact SG-O 3.4Å; C37-F112 HydrophobicContact CB-CD2 4.48Å |
| 38 | H | 90.3 | Very high | 77.8 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.2 | -73.5 | -155.6 | 0 | 0 | 0 | 111.8 | T34 C41 G42 Q60 | T34-H38 PolarHBondContact O-CD2 3.06Å; T34-H38 VanDerWaalsContact O-CD2 3.29Å; T34-H38 PolarHBondContact O-N 3.09Å; T34-H38 PolarHBondContact OG1-CD2 3.48Å; T34-H38 PolarHBondContact OG1-CE1 2.67Å; T34-H38 PolarHBondContact OG1-NE2 3.3Å; H38-C41 PolarHBondContact O-N 3.26Å; H38-G42 PolarHBondContact O-N 3.32Å; H38-Q60 HydrophobicContact CB-CG 4.3Å; H38-Q60 PolarHBondContact NE2-O 3.43Å |
| 39 | K | 90.1 | Very high | 78.4 | Confident | 155 Ų | 155 | 63.8 Ų | 63.8 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 172.8 | -172.5 | 178.9 | -179.4 | -178.4 | 0 | 111.6 | A35 S36 C37 G42 M43 | A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.34Å; S36-K39 PolarHBondContact O-N 3.34Å; C37-K39 VanDerWaalsContact C-N 3.31Å; C37-K39 PolarHBondContact O-N 2.87Å; K39-G42 PolarHBondContact O-N 3.04Å; K39-M43 WeakPolarHBondContact O-CG 3.34Å; K39-M43 PolarHBondContact O-N 3.35Å; K39-M43 VanDerWaalsContact O-N 3.11Å |
| 40 | S | 89.9 | Confident | 79 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 173.1 | -163.2 | 0 | 0 | 0 | 0 | 111.4 | S36 C37 G42 M43 T44 N108 | S36-S40 PolarHBondContact O-N 3.37Å; C37-S40 CarbonylContact O-C 3.25Å; C37-S40 WeakPolarHBondContact O-CA 3.2Å; C37-S40 VanDerWaalsContact O-CB 3.32Å; C37-S40 WeakPolarHBondContact O-CB 3.44Å; C37-S40 PolarHBondContact O-N 3.23Å; C37-S40 VanDerWaalsContact O-N 3.09Å; S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 2.88Å; S40-M43 WeakPolarHBondContact O-CB 3.38Å; S40-M43 PolarHBondContact O-N 2.89Å; S40-T44 PolarHBondContact O-N 3.44Å; S40-T44 PolarHBondContact O-OG1 3.15Å; S40-T44 VanDerWaalsContact O-OG1 3.14Å; S40-N108 PolarHBondContact OG-ND2 3.45Å |
| 41 | C | 90.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.5 | -42 | 174.8 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | C37 H38 M43 T44 Y45 C59 Q60 | C37-C41 PolarHBondContact O-N 3.04Å; C37-C41 PolarHBondContact O-SG 3.02Å; H38-C41 PolarHBondContact O-N 3.26Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 3.49Å; C41-T44 PolarHBondContact O-N 3.22Å; C41-Y45 PolarHBondContact O-N 3.26Å; C41-C59 HydrophobicContact CB-CB 3.72Å; C41-C59 WeakPolarHBondContact CB-SG 3.16Å; C41-C59 WeakPolarHBondContact SG-CB 3.47Å; C41-C59 CovalentContact SG-SG 2.04Å; C41-C59 PolarHBondContact SG-SG 3.35Å; C41-Q60 HydrophobicContact CB-CG 4.24Å |
| 42 | G | 89.3 | Confident | 79.9 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -27.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H38 K39 S40 | H38-G42 PolarHBondContact O-N 3.32Å; K39-G42 PolarHBondContact O-N 3.04Å; S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 2.88Å |
| 43 | M | 86.8 | Confident | 80.6 | Confident | 148 Ų | 148 | 76 Ų | 76 | 73% | 0.729 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -79.8 | -36.6 | 172.1 | -66.4 | -63.9 | -59.8 | 0 | 0 | 112 | K39 S40 C41 | K39-M43 WeakPolarHBondContact O-CG 3.34Å; K39-M43 PolarHBondContact O-N 3.35Å; K39-M43 VanDerWaalsContact O-N 3.11Å; S40-M43 WeakPolarHBondContact O-CB 3.38Å; S40-M43 PolarHBondContact O-N 2.89Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 3.49Å |
| 44 | T | 85.6 | Confident | 81.2 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 40% | 0.399 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.2 | -48.8 | 178.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | S40 C41 S46 | S40-T44 PolarHBondContact O-N 3.44Å; S40-T44 PolarHBondContact O-OG1 3.15Å; S40-T44 VanDerWaalsContact O-OG1 3.14Å; C41-T44 PolarHBondContact O-N 3.22Å; T44-S46 PolarHBondContact O-N 2.91Å |
| 45 | Y | 82.5 | Confident | 81.5 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 50 | -177.6 | -68 | -82.2 | 0 | 0 | 0 | 111.6 | C41 L47 Y50 E55 L56 C59 Y100 A101 | C41-Y45 PolarHBondContact O-N 3.26Å; Y45-L47 PolarHBondContact O-N 3.31Å; Y45-Y50 AromaticContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 HydrophobicContact CD1-CG 4.04Å; Y45-Y50 HydrophobicContact CE1-CD2 4Å; Y45-Y50 AromaticContact CE1-CE2 3.87Å; Y45-Y50 HydrophobicContact CE1-CE2 3.87Å; Y45-E55 HydrophobicContact CD1-CB 3.76Å; Y45-E55 HydrophobicContact CE1-CB 3.8Å; Y45-E55 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E55 WeakPolarHBondContact CE1-OE2 3.47Å; Y45-L56 VanDerWaalsContact O-CD1 3.3Å; Y45-L56 WeakPolarHBondContact O-CD1 3.08Å; Y45-C59 HydrophobicContact CD2-CB 4.08Å; Y45-C59 HydrophobicContact CE2-CB 4.12Å; Y45-Y100 WeakPolarHBondContact OH-CD1 3.49Å; Y45-A101 HydrophobicContact CE1-CB 4.18Å; Y45-A101 HydrophobicContact CE2-CB 3.92Å; Y45-A101 VanDerWaalsContact OH-CA 3.31Å; Y45-A101 WeakPolarHBondContact OH-CA 3.49Å; Y45-A101 WeakPolarHBondContact OH-CB 3.47Å |
| 46 | S | 77.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | trans | -63.1 | 134.3 | 176.4 | 72 | 0 | 0 | 0 | 0 | 110.9 | T44 H48 T49 Y50 | T44-S46 PolarHBondContact O-N 2.91Å; S46-H48 PolarHBondContact O-N 3.48Å; S46-T49 PolarHBondContact O-N 3.4Å; S46-T49 PolarHBondContact OG-OG1 3.28Å; S46-Y50 PolarHBondContact O-N 3.37Å | ||
| 47 | L | 69.1 | Low | 81.9 | Confident | 118 Ų | 118 | 80.8 Ų | 80.8 | 62% | 0.618 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -22 | 178.6 | -80.5 | 159.5 | 0 | 0 | 0 | 115.2 | Y45 Y50 E53 | Y45-L47 PolarHBondContact O-N 3.31Å; L47-Y50 CarbonylContact C-O 3.55Å; L47-Y50 WeakPolarHBondContact CA-O 3.3Å; L47-E53 HydrophobicContact CD2-CG 3.67Å |
| 48 | H | 66.8 | Low | 82 | Confident | 184 Ų | 184 | 80.8 Ų | 80.8 | 85% | 0.852 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.9 | 176.7 | -173.6 | -68.7 | 0 | 0 | 0 | 112.7 | S46 | S46-H48 PolarHBondContact O-N 3.48Š|
| 49 | T | 69.5 | Low | 82.2 | Confident | 103 Ų | 103 | 78.1 Ų | 78.1 | 63% | 0.632 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -33.1 | -177 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | S46 | S46-T49 PolarHBondContact O-N 3.4Å; S46-T49 PolarHBondContact OG-OG1 3.28Å |
| 50 | Y | 70.3 | Confident | 82.2 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | trans | -115.5 | 117.8 | 174.1 | -103.4 | -73.7 | 0 | 0 | 0 | 111 | Y45 S46 L47 R52 E55 | Y45-Y50 AromaticContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 HydrophobicContact CD1-CG 4.04Å; Y45-Y50 HydrophobicContact CE1-CD2 4Å; Y45-Y50 AromaticContact CE1-CE2 3.87Å; Y45-Y50 HydrophobicContact CE1-CE2 3.87Å; S46-Y50 PolarHBondContact O-N 3.37Å; L47-Y50 CarbonylContact C-O 3.55Å; L47-Y50 WeakPolarHBondContact CA-O 3.3Å; Y50-R52 PolarHBondContact O-N 2.89Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.38Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.43Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.31Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.06Å | ||
| 51 | P | 64.9 | Low | 82.3 | Confident | 123 Ų | 123 | 78.3 Ų | 78.3 | 80% | 0.799 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -79.5 | -1.2 | 179.5 | 33.1 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 52 | R | 72.9 | Confident | 82.5 | Confident | 113 Ų | 113 | 78.3 Ų | 78.3 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | trans | -109.2 | 121.9 | 178.2 | -68.3 | -173.8 | -179.9 | 173 | -1.7 | 110.8 | Y50 E54 D97 | Y50-R52 PolarHBondContact O-N 2.89Å; R52-E54 VanDerWaalsContact C-N 3.27Å; R52-D97 IonicContact NH1-OD2 3.68Å | ||
| 53 | E | 81.1 | Confident | 82.6 | Confident | 138 Ų | 138 | 76.8 Ų | 76.8 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.4 | -20.8 | 174.2 | -68.9 | 177.7 | -179.2 | 0 | 0 | 112.8 | L47 E55 L56 Y57 | L47-E53 HydrophobicContact CD2-CG 3.67Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E53-E55 PolarHBondContact O-N 3.45Å; E53-L56 PolarHBondContact O-N 3.4Å; E53-Y57 PolarHBondContact O-N 2.91Å |
| 54 | E | 86.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 75 Ų | 75 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.3 | -42.3 | -178.5 | -63.5 | 168.6 | 168.9 | 0 | 0 | 112.1 | R52 Y57 A58 | R52-E54 VanDerWaalsContact C-N 3.27Å; E54-Y57 PolarHBondContact O-N 2.04Å; E54-A58 WeakPolarHBondContact O-CB 3.43Å; E54-A58 PolarHBondContact O-N 3.45Å |
| 55 | E | 87.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | -178.8 | -62.5 | 173.4 | -132 | 0 | 0 | 112.3 | Y45 Y50 E53 Y57 A58 C59 D97 A101 | Y45-E55 HydrophobicContact CD1-CB 3.76Å; Y45-E55 HydrophobicContact CE1-CB 3.8Å; Y45-E55 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E55 WeakPolarHBondContact CE1-OE2 3.47Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.38Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.43Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.31Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.06Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E53-E55 PolarHBondContact O-N 3.45Å; E55-Y57 VanDerWaalsContact C-N 3.3Å; E55-Y57 PolarHBondContact O-N 3.44Å; E55-A58 PolarHBondContact O-N 3.3Å; E55-C59 PolarHBondContact O-N 3.4Å; E55-D97 HydrophobicContact CG-CB 4.35Å; E55-A101 HydrophobicContact CB-CB 4.05Å; E55-A101 VanDerWaalsContact O-CB 3.27Å; E55-A101 WeakPolarHBondContact O-CB 3.27Å |
| 56 | L | 89.8 | Confident | 83.7 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 173.6 | 177 | 141.7 | 0 | 0 | 0 | 110.9 | Y45 E53 C59 Q60 | Y45-L56 VanDerWaalsContact O-CD1 3.3Å; Y45-L56 WeakPolarHBondContact O-CD1 3.08Å; E53-L56 PolarHBondContact O-N 3.4Å; L56-C59 PolarHBondContact O-N 2.95Å; L56-Q60 WeakPolarHBondContact O-CG 3.15Å; L56-Q60 PolarHBondContact O-N 2.69Å; L56-Q60 VanDerWaalsContact O-N 3.11Å |
| 57 | Y | 89.8 | Confident | 84.3 | Confident | 143 Ų | 143 | 71.6 Ų | 71.6 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 175.3 | -172.6 | -100.1 | 0 | 0 | 0 | 112 | E53 E54 E55 C59 Q60 R61 | E53-Y57 PolarHBondContact O-N 2.91Å; E54-Y57 PolarHBondContact O-N 2.04Å; E55-Y57 VanDerWaalsContact C-N 3.3Å; E55-Y57 PolarHBondContact O-N 3.44Å; Y57-C59 PolarHBondContact O-N 2.88Å; Y57-Q60 PolarHBondContact O-N 3.48Å; Y57-R61 WeakPolarHBondContact O-CB 3.44Å; Y57-R61 PolarHBondContact O-N 2.9Å |
| 58 | A | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E54 E55 R61 G62 Y93 E98 A101 | E54-A58 WeakPolarHBondContact O-CB 3.43Å; E54-A58 PolarHBondContact O-N 3.45Å; E55-A58 PolarHBondContact O-N 3.3Å; A58-R61 PolarHBondContact O-N 3.32Å; A58-G62 PolarHBondContact O-N 3.44Å; A58-Y93 HydrophobicContact CB-CE1 3.99Å; A58-Y93 HydrophobicContact CB-CE2 4.26Å; A58-E98 HydrophobicContact CB-CB 4.26Å; A58-A101 HydrophobicContact CB-CB 4.15Å |
| 59 | C | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | C41 Y45 E55 L56 Y57 R61 G62 C63 A101 G105 | C41-C59 HydrophobicContact CB-CB 3.72Å; C41-C59 WeakPolarHBondContact CB-SG 3.16Å; C41-C59 WeakPolarHBondContact SG-CB 3.47Å; C41-C59 CovalentContact SG-SG 2.04Å; C41-C59 PolarHBondContact SG-SG 3.35Å; Y45-C59 HydrophobicContact CD2-CB 4.08Å; Y45-C59 HydrophobicContact CE2-CB 4.12Å; E55-C59 PolarHBondContact O-N 3.4Å; L56-C59 PolarHBondContact O-N 2.95Å; Y57-C59 PolarHBondContact O-N 2.88Å; C59-R61 VanDerWaalsContact C-N 3.3Å; C59-R61 PolarHBondContact O-N 3.14Å; C59-G62 PolarHBondContact O-N 3.12Å; C59-G62 VanDerWaalsContact O-N 3.15Å; C59-C63 PolarHBondContact O-N 3.43Å; C59-C63 PolarHBondContact O-SG 3.02Å; C59-C63 VanDerWaalsContact O-SG 3.4Å; C59-A101 VanDerWaalsContact CA-O 3.28Å; C59-A101 WeakPolarHBondContact CA-O 3.38Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.3Å; C59-G105 WeakPolarHBondContact O-CA 2.95Å |
| 60 | Q | 91.8 | Very high | 87.1 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.7 | -69.4 | 178.4 | 3.2 | 0 | 0 | 112 | H38 C41 L56 Y57 G62 C63 R64 | H38-Q60 HydrophobicContact CB-CG 4.3Å; H38-Q60 PolarHBondContact NE2-O 3.43Å; C41-Q60 HydrophobicContact CB-CG 4.24Å; L56-Q60 WeakPolarHBondContact O-CG 3.15Å; L56-Q60 PolarHBondContact O-N 2.69Å; L56-Q60 VanDerWaalsContact O-N 3.11Å; Y57-Q60 PolarHBondContact O-N 3.48Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 2.93Å; Q60-C63 WeakPolarHBondContact O-CB 3.16Å; Q60-C63 PolarHBondContact O-N 2.89Å; Q60-R64 PolarHBondContact O-N 2.98Å |
| 61 | R | 91.8 | Very high | 87.8 | Confident | 141 Ų | 141 | 60.2 Ų | 60.2 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 174.7 | -162.5 | 177.7 | -170.9 | 163.2 | 0.2 | 111.9 | Y57 A58 C59 R64 L65 Y93 | Y57-R61 WeakPolarHBondContact O-CB 3.44Å; Y57-R61 PolarHBondContact O-N 2.9Å; A58-R61 PolarHBondContact O-N 3.32Å; C59-R61 VanDerWaalsContact C-N 3.3Å; C59-R61 PolarHBondContact O-N 3.14Å; R61-R64 PolarHBondContact O-N 3.34Å; R61-L65 VanDerWaalsContact O-CB 3.3Å; R61-L65 WeakPolarHBondContact O-CB 3.21Å; R61-L65 PolarHBondContact O-N 2.93Å; R61-Y93 VanDerWaalsContact CD-OH 3.31Å; R61-Y93 WeakPolarHBondContact CD-OH 3.5Å |
| 62 | G | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A58 C59 Q60 R64 L65 F66 | A58-G62 PolarHBondContact O-N 3.44Å; C59-G62 PolarHBondContact O-N 3.12Å; C59-G62 VanDerWaalsContact O-N 3.15Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 2.93Å; G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.71Å; G62-L65 PolarHBondContact O-N 3.13Å; G62-F66 PolarHBondContact O-N 2.89Å |
| 63 | C | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 173.8 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | C37 C59 Q60 | C37-C63 VanDerWaalsContact C-SG 3.51Å; C37-C63 HydrophobicContact CB-CB 3.67Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.23Å; C59-C63 PolarHBondContact O-N 3.43Å; C59-C63 PolarHBondContact O-SG 3.02Å; C59-C63 VanDerWaalsContact O-SG 3.4Å; Q60-C63 WeakPolarHBondContact O-CB 3.16Å; Q60-C63 PolarHBondContact O-N 2.89Å |
| 64 | R | 92.1 | Very high | 88.3 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 178.7 | -175.4 | 176.3 | 179.5 | 169.9 | 3.2 | 112.7 | T34 Q60 R61 G62 S67 I68 | T34-R64 HydrophobicContact CG2-CB 4.45Å; Q60-R64 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 3.34Å; G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.71Å; R64-S67 PolarHBondContact O-N 3.39Å; R64-I68 HydrophobicContact CG-CD1 4.19Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 3.25Å |
| 65 | L | 92.4 | Very high | 87.5 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.5 | -178.2 | 60.6 | 0 | 0 | 0 | 111.5 | R61 G62 S67 I68 C69 T88 | R61-L65 VanDerWaalsContact O-CB 3.3Å; R61-L65 WeakPolarHBondContact O-CB 3.21Å; R61-L65 PolarHBondContact O-N 2.93Å; G62-L65 PolarHBondContact O-N 3.13Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.13Å; L65-I68 WeakPolarHBondContact O-CB 3.42Å; L65-I68 PolarHBondContact O-N 3.25Å; L65-I68 VanDerWaalsContact O-N 3.08Å; L65-C69 PolarHBondContact O-N 2.99Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.4Å; L65-T88 HydrophobicContact CD1-CG2 4.04Å; L65-T88 HydrophobicContact CD2-CG2 3.93Å |
| 66 | F | 92.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.6 | -47.7 | 176.2 | -177.6 | -81.9 | 0 | 0 | 0 | 111.8 | G62 I68 C69 H70 T81 R82 C85 Q109 L110 A113 | G62-F66 PolarHBondContact O-N 2.89Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.91Å; F66-C69 PolarHBondContact O-N 3.49Å; F66-H70 WeakPolarHBondContact O-CB 3.4Å; F66-H70 PolarHBondContact O-N 2.86Å; F66-T81 HydrophobicContact CD2-CG2 4.23Å; F66-T81 HydrophobicContact CE1-CG2 4.25Å; F66-T81 HydrophobicContact CE2-CG2 3.89Å; F66-T81 HydrophobicContact CZ-CG2 3.9Å; F66-R82 HydrophobicContact CE2-CB 4.05Å; F66-C85 VanDerWaalsContact CA-SG 3.58Å; F66-C85 HydrophobicContact CB-CB 4.45Å; F66-C85 HydrophobicContact CD2-CB 4.29Å; F66-C85 PolarHBondContact N-SG 3.11Å; F66-C85 VanDerWaalsContact N-SG 3.38Å; F66-Q109 HydrophobicContact CB-CB 3.99Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.9Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.21Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; F66-L110 HydrophobicContact CE2-CD1 3.99Å; F66-L110 HydrophobicContact CZ-CD1 3.86Å; F66-A113 HydrophobicContact CE1-CB 3.72Å; F66-A113 HydrophobicContact CZ-CB 4.3Å |
| 67 | S | 89.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 176.7 | -75.6 | 0 | 0 | 0 | 0 | 113.3 | L31 R64 L65 F71 | L31-S67 WeakPolarHBondContact O-CB 3.44Å; L31-S67 PolarHBondContact O-OG 3.1Å; R64-S67 PolarHBondContact O-N 3.39Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.13Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 3.09Å; S67-F71 VanDerWaalsContact O-N 3.08Å |
| 68 | I | 88.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -47.5 | 175.5 | -65.3 | 164.9 | 0 | 0 | 0 | 110.4 | L31 R64 L65 F66 H70 F71 V72 | L31-I68 HydrophobicContact CD1-CD1 4.49Å; L31-I68 HydrophobicContact CD1-CG1 3.79Å; L31-I68 HydrophobicContact CD2-CG1 4.09Å; R64-I68 HydrophobicContact CG-CD1 4.19Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 3.25Å; L65-I68 WeakPolarHBondContact O-CB 3.42Å; L65-I68 PolarHBondContact O-N 3.25Å; L65-I68 VanDerWaalsContact O-N 3.08Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.91Å; I68-H70 VanDerWaalsContact C-N 3.29Å; I68-H70 PolarHBondContact O-N 2.79Å; I68-F71 PolarHBondContact O-N 3.41Å; I68-V72 HydrophobicContact CG2-CG2 4.16Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.38Å |
| 69 | C | 89.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | L65 F66 R73 T81 | L65-C69 PolarHBondContact O-N 2.99Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.4Å; F66-C69 PolarHBondContact O-N 3.49Å; C69-R73 PolarHBondContact O-N 2.82Å; C69-T81 HydrophobicContact CB-CG2 3.84Å |
| 70 | H | 86.9 | Confident | 86.4 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 28% | 0.282 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 175.9 | -172.8 | -71.7 | 0 | 0 | 0 | 111.6 | F66 I68 D74 L78 T81 | F66-H70 WeakPolarHBondContact O-CB 3.4Å; F66-H70 PolarHBondContact O-N 2.86Å; I68-H70 VanDerWaalsContact C-N 3.29Å; I68-H70 PolarHBondContact O-N 2.79Å; H70-D74 PolarHBondContact O-N 3.03Å; H70-L78 VanDerWaalsContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact NE2-CD2 3.3Å; H70-T81 HydrophobicContact CB-CG2 3.86Å |
| 71 | F | 84.2 | Confident | 86.3 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | -177.2 | 177.9 | -97.5 | 0 | 0 | 0 | 113.4 | V30 L31 S67 I68 | V30-F71 HydrophobicContact CG1-CD2 3.95Å; V30-F71 HydrophobicContact CG1-CE2 3.45Å; V30-F71 VanDerWaalsContact CG1-CE2 3.45Å; V30-F71 HydrophobicContact CG1-CZ 3.78Å; L31-F71 HydrophobicContact CD2-CB 3.81Å; L31-F71 HydrophobicContact CD2-CD1 4.29Å; L31-F71 HydrophobicContact CD2-CG 4.04Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 3.09Å; S67-F71 VanDerWaalsContact O-N 3.08Å; I68-F71 PolarHBondContact O-N 3.41Å |
| 72 | V | 85 | Confident | 86.4 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 65% | 0.648 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.4 | -31.5 | -178.3 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | I68 | I68-V72 HydrophobicContact CG2-CG2 4.16Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.38Å |
| 73 | R | 75.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -91.8 | -23.1 | -175.2 | -73.2 | -170.8 | 55.8 | 123.5 | 11.3 | 115.3 | C69 S75 E84 | C69-R73 PolarHBondContact O-N 2.82Å; R73-S75 WeakPolarHBondContact CB-OG 3.41Å; R73-S75 PolarHBondContact O-N 2.83Å; R73-S75 VanDerWaalsContact O-N 3.15Å; R73-E84 WeakPolarHBondContact CD-OE2 3.28Å; R73-E84 IonicContact CZ-OE2 2.69Å; R73-E84 IonicContact NE-OE2 3.55Å; R73-E84 IonicContact NH1-OE2 3.33Å; R73-E84 PolarHBondContact NH1-OE2 3.19Å |
| 74 | D | 69.7 | Low | 86.4 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 80% | 0.802 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 38 | -174.3 | -152.1 | 30.8 | 0 | 0 | 0 | 112 | H70 | H70-D74 PolarHBondContact O-N 3.03Š|
| 75 | S | 67.9 | Low | 86.5 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | trans | -107.6 | 121.7 | -172.4 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | R73 D77 | R73-S75 WeakPolarHBondContact CB-OG 3.41Å; R73-S75 PolarHBondContact O-N 2.83Å; R73-S75 VanDerWaalsContact O-N 3.15Å; S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.11Å | ||
| 76 | D | 71.4 | Confident | 86.6 | Confident | 130 Ų | 130 | 63.6 Ų | 63.6 | 70% | 0.695 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -57.8 | -23.6 | 176.2 | -60.2 | -56.1 | 0 | 0 | 0 | 113.2 | L78 Q117 | D76-L78 PolarHBondContact O-N 3.29Å; D76-Q117 PolarHBondContact OD1-NE2 3.43Å |
| 77 | D | 87 | Confident | 86.7 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | trans | -73.4 | 80.3 | 178.7 | -78.6 | -40.5 | 0 | 0 | 0 | 112.8 | S75 N79 Q80 T81 | S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.11Å; D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.11Å; D77-Q80 HydrophobicContact CB-CB 3.96Å; D77-Q80 WeakPolarHBondContact O-CB 3.05Å; D77-Q80 PolarHBondContact O-N 3.4Å; D77-T81 PolarHBondContact O-N 3.36Å; D77-T81 PolarHBondContact O-OG1 2.93Å | ||
| 78 | L | 88.6 | Confident | 87 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.5 | -33 | 174.6 | -60.9 | -177.7 | 0 | 0 | 0 | 113.6 | H70 D76 T81 R82 L110 A113 E114 | H70-L78 VanDerWaalsContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact NE2-CD2 3.3Å; D76-L78 PolarHBondContact O-N 3.29Å; L78-T81 PolarHBondContact O-N 2.97Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 PolarHBondContact O-N 3.19Å; L78-L110 HydrophobicContact CB-CD1 3.7Å; L78-A113 HydrophobicContact CD1-CB 4.28Å; L78-A113 HydrophobicContact CD2-CB 3.97Å; L78-E114 HydrophobicContact CD1-CB 3.75Å; L78-E114 HydrophobicContact CD1-CG 4.41Å |
| 79 | N | 91.6 | Very high | 87.3 | Confident | 114 Ų | 114 | 65.4 Ų | 65.4 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 175.6 | -77 | -49.9 | 0 | 0 | 0 | 112.9 | D77 R82 T83 | D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.11Å; N79-R82 WeakPolarHBondContact O-CB 3.09Å; N79-T83 PolarHBondContact O-N 3.08Å |
| 80 | Q | 91.3 | Very high | 87.5 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.2 | -48.5 | 175.2 | -173.4 | 170.4 | 36.6 | 0 | 0 | 110 | D77 R82 T83 E84 | D77-Q80 HydrophobicContact CB-CB 3.96Å; D77-Q80 WeakPolarHBondContact O-CB 3.05Å; D77-Q80 PolarHBondContact O-N 3.4Å; Q80-R82 PolarHBondContact O-N 3.32Å; Q80-T83 PolarHBondContact O-N 3.43Å; Q80-T83 PolarHBondContact O-OG1 3.4Å; Q80-E84 PolarHBondContact O-N 3.24Å |
| 81 | T | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -51.6 | -41.7 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | F66 C69 H70 D77 L78 E84 C85 | F66-T81 HydrophobicContact CD2-CG2 4.23Å; F66-T81 HydrophobicContact CE1-CG2 4.25Å; F66-T81 HydrophobicContact CE2-CG2 3.89Å; F66-T81 HydrophobicContact CZ-CG2 3.9Å; C69-T81 HydrophobicContact CB-CG2 3.84Å; H70-T81 HydrophobicContact CB-CG2 3.86Å; D77-T81 PolarHBondContact O-N 3.36Å; D77-T81 PolarHBondContact O-OG1 2.93Å; L78-T81 PolarHBondContact O-N 2.97Å; T81-E84 PolarHBondContact O-N 2.87Å; T81-C85 WeakPolarHBondContact O-CB 3.04Å; T81-C85 PolarHBondContact O-N 3.3Å |
| 82 | R | 92.8 | Very high | 88.3 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 26% | 0.26 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.6 | -52.4 | 173.1 | 179.5 | -166.7 | 165.2 | 154.9 | 8.3 | 112.2 | F66 L78 N79 Q80 E84 C85 E86 H107 L110 | F66-R82 HydrophobicContact CE2-CB 4.05Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 PolarHBondContact O-N 3.19Å; N79-R82 WeakPolarHBondContact O-CB 3.09Å; Q80-R82 PolarHBondContact O-N 3.32Å; R82-E84 PolarHBondContact O-N 3.08Å; R82-C85 WeakPolarHBondContact O-CB 3.34Å; R82-C85 PolarHBondContact O-N 3.02Å; R82-E86 IonicContact CZ-OE1 2.98Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.44Å; R82-E86 IonicContact NH2-OE1 2.76Å; R82-E86 PolarHBondContact NH2-OE1 3.25Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.4Å; R82-H107 PolarHBondContact NH1-CD2 3.05Å; R82-H107 PolarHBondContact NH1-NE2 3.12Å; R82-H107 PolarHBondContact NH2-CD2 3.41Å; R82-L110 HydrophobicContact CB-CD1 4.39Å |
| 83 | T | 93.3 | Very high | 88.6 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -31 | -177.6 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | N79 Q80 S87 | N79-T83 PolarHBondContact O-N 3.08Å; Q80-T83 PolarHBondContact O-N 3.43Å; Q80-T83 PolarHBondContact O-OG1 3.4Å; T83-S87 WeakPolarHBondContact O-CB 3.08Å; T83-S87 PolarHBondContact O-N 3.27Å |
| 84 | E | 93.4 | Very high | 89.4 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.9 | -46.2 | 174.9 | -166.4 | 162.5 | 142.9 | 0 | 0 | 111.6 | R73 Q80 T81 R82 E86 S87 T88 | R73-E84 WeakPolarHBondContact CD-OE2 3.28Å; R73-E84 IonicContact CZ-OE2 2.69Å; R73-E84 IonicContact NE-OE2 3.55Å; R73-E84 IonicContact NH1-OE2 3.33Å; R73-E84 PolarHBondContact NH1-OE2 3.19Å; Q80-E84 PolarHBondContact O-N 3.24Å; T81-E84 PolarHBondContact O-N 2.87Å; R82-E84 PolarHBondContact O-N 3.08Å; E84-E86 PolarHBondContact O-N 2.04Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.12Å; E84-S87 PolarHBondContact O-OG 3.39Å; E84-T88 PolarHBondContact O-N 3.25Å; E84-T88 PolarHBondContact O-OG1 3.03Å; E84-T88 VanDerWaalsContact O-OG1 3.14Å |
| 85 | C | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 171.6 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | F66 T81 R82 S87 T88 C89 C106 | F66-C85 VanDerWaalsContact CA-SG 3.58Å; F66-C85 HydrophobicContact CB-CB 4.45Å; F66-C85 HydrophobicContact CD2-CB 4.29Å; F66-C85 PolarHBondContact N-SG 3.11Å; F66-C85 VanDerWaalsContact N-SG 3.38Å; T81-C85 WeakPolarHBondContact O-CB 3.04Å; T81-C85 PolarHBondContact O-N 3.3Å; R82-C85 WeakPolarHBondContact O-CB 3.34Å; R82-C85 PolarHBondContact O-N 3.02Å; C85-S87 VanDerWaalsContact C-N 3.35Å; C85-S87 PolarHBondContact O-N 3.23Å; C85-T88 PolarHBondContact O-N 2.94Å; C85-C89 PolarHBondContact O-N 3.03Å; C85-C89 PolarHBondContact O-SG 3.05Å; C85-C106 HydrophobicContact CB-CB 3.79Å; C85-C106 WeakPolarHBondContact CB-SG 3.44Å; C85-C106 WeakPolarHBondContact SG-CB 3.35Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.2Å |
| 86 | E | 94.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 72.6 Ų | 72.6 | 17% | 0.173 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.6 | -72.4 | -177.6 | -165 | 0 | 0 | 111.5 | R82 E84 C89 R90 N103 C106 | R82-E86 IonicContact CZ-OE1 2.98Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.44Å; R82-E86 IonicContact NH2-OE1 2.76Å; R82-E86 PolarHBondContact NH2-OE1 3.25Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.4Å; E84-E86 PolarHBondContact O-N 2.04Å; E86-C89 WeakPolarHBondContact O-CB 3.46Å; E86-C89 PolarHBondContact O-N 3.28Å; E86-R90 WeakPolarHBondContact O-CG 3.1Å; E86-R90 PolarHBondContact O-N 3.48Å; E86-N103 WeakPolarHBondContact CA-OD1 3.45Å; E86-N103 HydrophobicContact CG-CB 4.36Å; E86-N103 PolarHBondContact O-OD1 3.23Å; E86-C106 HydrophobicContact CG-CB 4.4Å |
| 87 | S | 94.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 69.7 Ų | 69.7 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.8 | 75.7 | 0 | 0 | 0 | 0 | 112.5 | T83 E84 C85 R90 E91 | T83-S87 WeakPolarHBondContact O-CB 3.08Å; T83-S87 PolarHBondContact O-N 3.27Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.12Å; E84-S87 PolarHBondContact O-OG 3.39Å; C85-S87 VanDerWaalsContact C-N 3.35Å; C85-S87 PolarHBondContact O-N 3.23Å; S87-R90 WeakPolarHBondContact O-CB 3.41Å; S87-R90 PolarHBondContact O-N 3.38Å; S87-R90 VanDerWaalsContact O-N 3.07Å; S87-E91 PolarHBondContact O-N 2.92Å |
| 88 | T | 94.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 66 Ų | 66 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -35.3 | 176 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | L65 E84 C85 R90 E91 A92 | L65-T88 HydrophobicContact CD1-CG2 4.04Å; L65-T88 HydrophobicContact CD2-CG2 3.93Å; E84-T88 PolarHBondContact O-N 3.25Å; E84-T88 PolarHBondContact O-OG1 3.03Å; E84-T88 VanDerWaalsContact O-OG1 3.14Å; C85-T88 PolarHBondContact O-N 2.94Å; T88-R90 VanDerWaalsContact C-N 3.27Å; T88-R90 PolarHBondContact O-N 3.4Å; T88-E91 PolarHBondContact O-N 2.04Å; T88-A92 WeakPolarHBondContact O-CB 3.31Å; T88-A92 PolarHBondContact O-N 3.38Å |
| 89 | C | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 168.5 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | C85 E86 E91 Y93 C102 N103 | C85-C89 PolarHBondContact O-N 3.03Å; C85-C89 PolarHBondContact O-SG 3.05Å; E86-C89 WeakPolarHBondContact O-CB 3.46Å; E86-C89 PolarHBondContact O-N 3.28Å; C89-E91 VanDerWaalsContact C-N 3.35Å; C89-Y93 PolarHBondContact O-N 2.97Å; C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.4Å; C89-C102 WeakPolarHBondContact SG-CB 3.21Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.94Å; C89-N103 WeakPolarHBondContact CB-OD1 2.95Å |
| 90 | R | 94.5 | Very high | 92.8 | Very high | 161 Ų | 161 | 68.8 Ų | 68.8 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.9 | -27.2 | 175.7 | -49.3 | -152.3 | -177.3 | 179.8 | -0.9 | 114.2 | E86 S87 T88 Q99 | E86-R90 WeakPolarHBondContact O-CG 3.1Å; E86-R90 PolarHBondContact O-N 3.48Å; S87-R90 WeakPolarHBondContact O-CB 3.41Å; S87-R90 PolarHBondContact O-N 3.38Å; S87-R90 VanDerWaalsContact O-N 3.07Å; T88-R90 VanDerWaalsContact C-N 3.27Å; T88-R90 PolarHBondContact O-N 3.4Å; R90-Q99 VanDerWaalsContact CA-NE2 3.34Å; R90-Q99 VanDerWaalsContact CB-NE2 3.29Å; R90-Q99 VanDerWaalsContact CG-NE2 3.31Å |
| 91 | E | 93.9 | Very high | 92.9 | Very high | 169 Ų | 169 | 64.9 Ų | 64.9 | 79% | 0.79 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -82.2 | -37.6 | 176.1 | -171.4 | 176.8 | 175.1 | 0 | 0 | 111.6 | S87 T88 C89 | S87-E91 PolarHBondContact O-N 2.92Å; T88-E91 PolarHBondContact O-N 2.04Å; C89-E91 VanDerWaalsContact C-N 3.35Å |
| 92 | A | 93.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 65 Ų | 65 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.3 | -29.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T88 | T88-A92 WeakPolarHBondContact O-CB 3.31Å; T88-A92 PolarHBondContact O-N 3.38Å |
| 93 | Y | 92.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 63 Ų | 63 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | trans | -121.8 | 122.7 | -173.1 | -70.8 | -78.7 | 0 | 0 | 0 | 112.3 | A58 R61 C89 E98 C102 | A58-Y93 HydrophobicContact CB-CE1 3.99Å; A58-Y93 HydrophobicContact CB-CE2 4.26Å; R61-Y93 VanDerWaalsContact CD-OH 3.31Å; R61-Y93 WeakPolarHBondContact CD-OH 3.5Å; C89-Y93 PolarHBondContact O-N 2.97Å; Y93-E98 HydrophobicContact CD1-CB 3.44Å; Y93-E98 VanDerWaalsContact CD1-CB 3.44Å; Y93-E98 HydrophobicContact CD1-CG 4.25Å; Y93-E98 HydrophobicContact CE1-CB 3.94Å; Y93-E98 HydrophobicContact CG-CB 4.02Å; Y93-C102 HydrophobicContact CD2-CB 3.91Å; Y93-C102 HydrophobicContact CE2-CB 3.9Å | ||
| 94 | T | 91.3 | Very high | 93.2 | Very high | 140 Ų | 140 | 61 Ų | 61 | 86% | 0.859 | 32% | 0.315 | S | S | * | . | trans | -90.3 | -20.5 | 176.6 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 95 | Q | 92.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -84.2 | 136 | 173.4 | -61.6 | -169.5 | 73.1 | 0 | 0 | 110.6 | D97 E98 Q99 | Q95-D97 VanDerWaalsContact C-N 3.31Å; Q95-D97 PolarHBondContact O-N 3.29Å; Q95-E98 HydrophobicContact CB-CB 4.34Å; Q95-E98 HydrophobicContact CB-CG 4.05Å; Q95-E98 WeakPolarHBondContact CB-OE2 3.47Å; Q95-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q95-E98 VanDerWaalsContact NE2-CD 3.33Å; Q95-E98 PolarHBondContact NE2-OE2 3.41Å; Q95-Q99 WeakPolarHBondContact O-CB 3.46Å; Q95-Q99 PolarHBondContact O-N 3.29Å |
| 96 | P | 90 | Very high | 93.2 | Very high | 86 Ų | 86 | 58 Ų | 58 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.4 | -32.7 | -177.6 | 27.8 | -34.9 | 0 | 0 | 0 | 112.7 | Y100 | P96-Y100 VanDerWaalsContact O-CB 3.3Å; P96-Y100 WeakPolarHBondContact O-CB 3.47Å; P96-Y100 PolarHBondContact O-N 3.15Å |
| 97 | D | 89.4 | Confident | 93.1 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.5 | -48.4 | -177 | -49.5 | -40.8 | 0 | 0 | 0 | 110.7 | R52 E55 Q95 Y100 A101 | R52-D97 IonicContact NH1-OD2 3.68Å; E55-D97 HydrophobicContact CG-CB 4.35Å; Q95-D97 VanDerWaalsContact C-N 3.31Å; Q95-D97 PolarHBondContact O-N 3.29Å; D97-Y100 PolarHBondContact O-N 3.03Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.94Å |
| 98 | E | 90.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174 | -57.5 | -179.7 | 118.1 | 0 | 0 | 111.9 | A58 Y93 Q95 A101 C102 | A58-E98 HydrophobicContact CB-CB 4.26Å; Y93-E98 HydrophobicContact CD1-CB 3.44Å; Y93-E98 VanDerWaalsContact CD1-CB 3.44Å; Y93-E98 HydrophobicContact CD1-CG 4.25Å; Y93-E98 HydrophobicContact CE1-CB 3.94Å; Y93-E98 HydrophobicContact CG-CB 4.02Å; Q95-E98 HydrophobicContact CB-CB 4.34Å; Q95-E98 HydrophobicContact CB-CG 4.05Å; Q95-E98 WeakPolarHBondContact CB-OE2 3.47Å; Q95-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q95-E98 VanDerWaalsContact NE2-CD 3.33Å; Q95-E98 PolarHBondContact NE2-OE2 3.41Å; E98-A101 PolarHBondContact O-N 3.24Å; E98-C102 WeakPolarHBondContact O-CB 3.37Å; E98-C102 PolarHBondContact O-N 3.43Å |
| 99 | Q | 93.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.8 | -175.5 | -173.2 | 25.1 | 0 | 0 | 111.3 | R90 Q95 C102 N103 | R90-Q99 VanDerWaalsContact CA-NE2 3.34Å; R90-Q99 VanDerWaalsContact CB-NE2 3.29Å; R90-Q99 VanDerWaalsContact CG-NE2 3.31Å; Q95-Q99 WeakPolarHBondContact O-CB 3.46Å; Q95-Q99 PolarHBondContact O-N 3.29Å; Q99-C102 PolarHBondContact O-N 3.49Å; Q99-N103 PolarHBondContact O-N 2.89Å; Q99-N103 PolarHBondContact O-ND2 3.01Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å |
| 100 | Y | 92.8 | Very high | 92.3 | Very high | 141 Ų | 141 | 57.2 Ų | 57.2 | 55% | 0.553 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 174.9 | 179.5 | -99.2 | 0 | 0 | 0 | 111.6 | Y45 P96 D97 C102 N103 M104 | Y45-Y100 WeakPolarHBondContact OH-CD1 3.49Å; P96-Y100 VanDerWaalsContact O-CB 3.3Å; P96-Y100 WeakPolarHBondContact O-CB 3.47Å; P96-Y100 PolarHBondContact O-N 3.15Å; D97-Y100 PolarHBondContact O-N 3.03Å; Y100-C102 PolarHBondContact O-N 3.2Å; Y100-N103 PolarHBondContact O-N 3.04Å; Y100-M104 HydrophobicContact CD1-CG 4.17Å; Y100-M104 HydrophobicContact CE1-CG 3.67Å; Y100-M104 HydrophobicContact CE1-SD 4.47Å; Y100-M104 HydrophobicContact CE2-CG 4.33Å; Y100-M104 WeakPolarHBondContact O-CG 3.32Å; Y100-M104 PolarHBondContact O-N 2.98Å |
| 101 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y45 E55 A58 C59 D97 E98 M104 G105 | Y45-A101 HydrophobicContact CE1-CB 4.18Å; Y45-A101 HydrophobicContact CE2-CB 3.92Å; Y45-A101 VanDerWaalsContact OH-CA 3.31Å; Y45-A101 WeakPolarHBondContact OH-CA 3.49Å; Y45-A101 WeakPolarHBondContact OH-CB 3.47Å; E55-A101 HydrophobicContact CB-CB 4.05Å; E55-A101 VanDerWaalsContact O-CB 3.27Å; E55-A101 WeakPolarHBondContact O-CB 3.27Å; A58-A101 HydrophobicContact CB-CB 4.15Å; C59-A101 VanDerWaalsContact CA-O 3.28Å; C59-A101 WeakPolarHBondContact CA-O 3.38Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.3Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.94Å; E98-A101 PolarHBondContact O-N 3.24Å; A101-M104 WeakPolarHBondContact O-CB 3.06Å; A101-M104 PolarHBondContact O-N 3.49Å; A101-G105 PolarHBondContact O-N 2.69Å |
| 102 | C | 94.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 174.1 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | C89 Y93 E98 Q99 Y100 M104 G105 C106 | C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.4Å; C89-C102 WeakPolarHBondContact SG-CB 3.21Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.94Å; Y93-C102 HydrophobicContact CD2-CB 3.91Å; Y93-C102 HydrophobicContact CE2-CB 3.9Å; E98-C102 WeakPolarHBondContact O-CB 3.37Å; E98-C102 PolarHBondContact O-N 3.43Å; Q99-C102 PolarHBondContact O-N 3.49Å; Y100-C102 PolarHBondContact O-N 3.2Å; C102-M104 VanDerWaalsContact C-N 3.32Å; C102-M104 PolarHBondContact O-N 3.3Å; C102-G105 WeakPolarHBondContact O-CA 3.46Å; C102-G105 PolarHBondContact O-N 3.01Å; C102-C106 PolarHBondContact O-N 2.84Å |
| 103 | N | 94.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.9 | -66.3 | -28 | 0 | 0 | 0 | 112.2 | E86 C89 Q99 Y100 G105 C106 H107 | E86-N103 WeakPolarHBondContact CA-OD1 3.45Å; E86-N103 HydrophobicContact CG-CB 4.36Å; E86-N103 PolarHBondContact O-OD1 3.23Å; C89-N103 WeakPolarHBondContact CB-OD1 2.95Å; Q99-N103 PolarHBondContact O-N 2.89Å; Q99-N103 PolarHBondContact O-ND2 3.01Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å; Y100-N103 PolarHBondContact O-N 3.04Å; N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.24Å; N103-C106 WeakPolarHBondContact O-CB 3.48Å; N103-C106 PolarHBondContact O-N 3.45Å; N103-H107 PolarHBondContact O-N 2.77Å |
| 104 | M | 92.7 | Very high | 90.8 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 20% | 0.197 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -35.9 | 172.7 | -80.2 | -63.8 | -59.9 | 0 | 0 | 112.2 | Y100 A101 C102 H107 N108 | Y100-M104 HydrophobicContact CD1-CG 4.17Å; Y100-M104 HydrophobicContact CE1-CG 3.67Å; Y100-M104 HydrophobicContact CE1-SD 4.47Å; Y100-M104 HydrophobicContact CE2-CG 4.33Å; Y100-M104 WeakPolarHBondContact O-CG 3.32Å; Y100-M104 PolarHBondContact O-N 2.98Å; A101-M104 WeakPolarHBondContact O-CB 3.06Å; A101-M104 PolarHBondContact O-N 3.49Å; C102-M104 VanDerWaalsContact C-N 3.32Å; C102-M104 PolarHBondContact O-N 3.3Å; M104-H107 PolarHBondContact O-N 2.76Å; M104-N108 VanDerWaalsContact O-CB 3.3Å; M104-N108 WeakPolarHBondContact O-CB 3.48Å; M104-N108 PolarHBondContact O-N 2.97Å; M104-N108 PolarHBondContact O-ND2 3.23Å |
| 105 | G | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C37 C59 A101 C102 N103 H107 N108 Q109 | C37-G105 PolarHBondContact SG-O 3.26Å; C37-G105 VanDerWaalsContact SG-O 3.4Å; C59-G105 WeakPolarHBondContact O-CA 2.95Å; A101-G105 PolarHBondContact O-N 2.69Å; C102-G105 WeakPolarHBondContact O-CA 3.46Å; C102-G105 PolarHBondContact O-N 3.01Å; N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.24Å; G105-H107 VanDerWaalsContact C-N 3.29Å; G105-H107 PolarHBondContact O-N 2.78Å; G105-N108 PolarHBondContact O-N 2.84Å; G105-Q109 PolarHBondContact O-N 2.98Å |
| 106 | C | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.8 | -42.8 | 174 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | C85 E86 C102 N103 | C85-C106 HydrophobicContact CB-CB 3.79Å; C85-C106 WeakPolarHBondContact CB-SG 3.44Å; C85-C106 WeakPolarHBondContact SG-CB 3.35Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.2Å; E86-C106 HydrophobicContact CG-CB 4.4Å; C102-C106 PolarHBondContact O-N 2.84Å; N103-C106 WeakPolarHBondContact O-CB 3.48Å; N103-C106 PolarHBondContact O-N 3.45Å |
| 107 | H | 92.8 | Very high | 89.5 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 35% | 0.352 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 179.7 | -171.9 | -121.1 | 0 | 0 | 0 | 112.9 | R82 N103 M104 G105 Q109 L110 P111 | R82-H107 PolarHBondContact NH1-CD2 3.05Å; R82-H107 PolarHBondContact NH1-NE2 3.12Å; R82-H107 PolarHBondContact NH2-CD2 3.41Å; N103-H107 PolarHBondContact O-N 2.77Å; M104-H107 PolarHBondContact O-N 2.76Å; G105-H107 VanDerWaalsContact C-N 3.29Å; G105-H107 PolarHBondContact O-N 2.78Å; H107-Q109 VanDerWaalsContact C-N 3.27Å; H107-Q109 PolarHBondContact O-N 3.36Å; H107-L110 VanDerWaalsContact O-CB 3.31Å; H107-L110 WeakPolarHBondContact O-CB 3.43Å; H107-L110 PolarHBondContact O-N 3.4Å; H107-P111 WeakPolarHBondContact O-CD 3.3Å |
| 108 | N | 90.9 | Very high | 89.2 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -25.2 | -178.3 | -76.3 | -17 | 0 | 0 | 0 | 113 | S40 M104 G105 F112 | S40-N108 PolarHBondContact OG-ND2 3.45Å; M104-N108 VanDerWaalsContact O-CB 3.3Å; M104-N108 WeakPolarHBondContact O-CB 3.48Å; M104-N108 PolarHBondContact O-N 2.97Å; M104-N108 PolarHBondContact O-ND2 3.23Å; G105-N108 PolarHBondContact O-N 2.84Å; N108-F112 WeakPolarHBondContact O-CD2 3.31Å; N108-F112 VanDerWaalsContact O-CE2 3.22Å; N108-F112 WeakPolarHBondContact O-CE2 3.44Å |
| 109 | Q | 88.9 | Confident | 88.8 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.7 | -26 | 176.6 | -169.5 | 64.5 | 27.8 | 0 | 0 | 112.7 | F66 G105 H107 F112 A113 | F66-Q109 HydrophobicContact CB-CB 3.99Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.9Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.21Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; G105-Q109 PolarHBondContact O-N 2.98Å; H107-Q109 VanDerWaalsContact C-N 3.27Å; H107-Q109 PolarHBondContact O-N 3.36Å; Q109-F112 PolarHBondContact O-N 2.94Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-A113 VanDerWaalsContact O-N 3.11Å |
| 110 | L | 88.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.9 | -55.8 | -176.6 | -172.1 | 74.5 | 0 | 0 | 0 | 114.6 | F66 L78 R82 H107 F112 A113 E114 | F66-L110 HydrophobicContact CE2-CD1 3.99Å; F66-L110 HydrophobicContact CZ-CD1 3.86Å; L78-L110 HydrophobicContact CB-CD1 3.7Å; R82-L110 HydrophobicContact CB-CD1 4.39Å; H107-L110 VanDerWaalsContact O-CB 3.31Å; H107-L110 WeakPolarHBondContact O-CB 3.43Å; H107-L110 PolarHBondContact O-N 3.4Å; L110-F112 PolarHBondContact O-N 3.35Å; L110-A113 WeakPolarHBondContact O-CB 3.37Å; L110-A113 PolarHBondContact O-N 3.11Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-E114 VanDerWaalsContact O-N 3.09Å |
| 111 | P | 87 | Confident | 87.5 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66 | -24.4 | -178.4 | 27 | -36.7 | 0 | 0 | 0 | 113.4 | H107 Q115 | H107-P111 WeakPolarHBondContact O-CD 3.3Å; P111-Q115 WeakPolarHBondContact O-CB 3.41Å; P111-Q115 PolarHBondContact O-N 2.97Å; P111-Q115 VanDerWaalsContact O-N 3.14Å |
| 112 | F | 83.9 | Confident | 86.8 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.1 | -24.5 | 174.7 | -58.2 | -60.2 | 0 | 0 | 0 | 112.5 | S36 C37 N108 Q109 L110 R116 | S36-F112 WeakPolarHBondContact OG-CE1 3.46Å; S36-F112 WeakPolarHBondContact OG-CZ 3.49Å; C37-F112 HydrophobicContact CB-CD2 4.48Å; N108-F112 WeakPolarHBondContact O-CD2 3.31Å; N108-F112 VanDerWaalsContact O-CE2 3.22Å; N108-F112 WeakPolarHBondContact O-CE2 3.44Å; Q109-F112 PolarHBondContact O-N 2.94Å; L110-F112 PolarHBondContact O-N 3.35Å; F112-R116 WeakPolarHBondContact O-CB 3.11Å; F112-R116 PolarHBondContact O-N 3.28Å |
| 113 | A | 84.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75 | -45.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F66 L78 Q109 L110 Q115 R116 Q117 | F66-A113 HydrophobicContact CE1-CB 3.72Å; F66-A113 HydrophobicContact CZ-CB 4.3Å; L78-A113 HydrophobicContact CD1-CB 4.28Å; L78-A113 HydrophobicContact CD2-CB 3.97Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-A113 VanDerWaalsContact O-N 3.11Å; L110-A113 WeakPolarHBondContact O-CB 3.37Å; L110-A113 PolarHBondContact O-N 3.11Å; A113-Q115 PolarHBondContact O-N 3.43Å; A113-R116 WeakPolarHBondContact O-CA 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.03Å; A113-R116 PolarHBondContact O-N 3.01Å; A113-Q117 PolarHBondContact O-N 2.77Å |
| 114 | E | 86.8 | Confident | 84.4 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.3 | -52 | 175.4 | -171.5 | 175.2 | -163.1 | 0 | 0 | 111.4 | L78 L110 R116 Q117 D118 | L78-E114 HydrophobicContact CD1-CB 3.75Å; L78-E114 HydrophobicContact CD1-CG 4.41Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-E114 VanDerWaalsContact O-N 3.09Å; E114-R116 PolarHBondContact O-N 3.4Å; E114-R116 VanDerWaalsContact O-N 3.15Å; E114-Q117 WeakPolarHBondContact O-CB 3.22Å; E114-Q117 PolarHBondContact O-N 3.47Å; E114-D118 PolarHBondContact O-N 2.83Å |
| 115 | Q | 85.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 50% | 0.495 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.6 | -30.9 | 175.8 | -173.6 | -179.1 | 12.9 | 0 | 0 | 113.3 | P111 A113 Q119 | P111-Q115 WeakPolarHBondContact O-CB 3.41Å; P111-Q115 PolarHBondContact O-N 2.97Å; P111-Q115 VanDerWaalsContact O-N 3.14Å; A113-Q115 PolarHBondContact O-N 3.43Å; Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.46Å; Q115-Q119 PolarHBondContact O-N 2.03Å; Q115-Q119 VanDerWaalsContact O-N 3.15Å |
| 116 | R | 79.6 | Confident | 81.1 | Confident | 134 Ų | 134 | 83.9 Ų | 83.9 | 51% | 0.506 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.4 | -39 | 177.4 | -169.6 | -167.9 | -166 | 89.8 | 0.4 | 111.3 | F112 A113 E114 Q119 L120 | F112-R116 WeakPolarHBondContact O-CB 3.11Å; F112-R116 PolarHBondContact O-N 3.28Å; A113-R116 WeakPolarHBondContact O-CA 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.03Å; A113-R116 PolarHBondContact O-N 3.01Å; E114-R116 PolarHBondContact O-N 3.4Å; E114-R116 VanDerWaalsContact O-N 3.15Å; R116-Q119 PolarHBondContact O-N 3.09Å; R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 PolarHBondContact O-N 2.94Å |
| 117 | Q | 81.3 | Confident | 79.4 | Confident | 42 Ų | 42 | 90.4 Ų | 90.4 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 176.6 | -161.8 | 168.2 | 3.5 | 0 | 0 | 109.8 | D76 A113 E114 Q119 L120 E121 | D76-Q117 PolarHBondContact OD1-NE2 3.43Å; A113-Q117 PolarHBondContact O-N 2.77Å; E114-Q117 WeakPolarHBondContact O-CB 3.22Å; E114-Q117 PolarHBondContact O-N 3.47Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.14Å; Q117-L120 WeakPolarHBondContact O-CB 3.44Å; Q117-L120 PolarHBondContact O-N 3.48Å; Q117-E121 PolarHBondContact O-N 3.08Å |
| 118 | D | 83.6 | Confident | 77.7 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.2 | -44.7 | 171.6 | -78.7 | -18.2 | 0 | 0 | 0 | 112.7 | E114 L120 E121 A122 | E114-D118 PolarHBondContact O-N 2.83Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-E121 PolarHBondContact O-N 3.28Å; D118-A122 VanDerWaalsContact O-CB 3.26Å; D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 3.37Å |
| 119 | Q | 82.9 | Confident | 76.3 | Confident | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -35.8 | 177.6 | -78.8 | 178.9 | 6.3 | 0 | 0 | 112.5 | Q115 R116 Q117 A122 M123 | Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.46Å; Q115-Q119 PolarHBondContact O-N 2.03Å; Q115-Q119 VanDerWaalsContact O-N 3.15Å; R116-Q119 PolarHBondContact O-N 3.09Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.14Å; Q119-A122 PolarHBondContact O-N 2.84Å; Q119-M123 VanDerWaalsContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CB 3.06Å; Q119-M123 PolarHBondContact O-N 3.3Å |
| 120 | L | 78.9 | Confident | 74.9 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.2 | -40.8 | 177.4 | -148.5 | 71 | 0 | 0 | 0 | 110.9 | R116 Q117 D118 A122 M123 M124 | R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 PolarHBondContact O-N 2.94Å; Q117-L120 WeakPolarHBondContact O-CB 3.44Å; Q117-L120 PolarHBondContact O-N 3.48Å; D118-L120 VanDerWaalsContact C-N 3.34Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.23Å; L120-M123 PolarHBondContact O-N 2.67Å; L120-M124 PolarHBondContact O-N 2.83Å |
| 121 | E | 79 | Confident | 73.6 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 42% | 0.416 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -28.8 | 172.7 | -74.4 | -167.4 | -156 | 0 | 0 | 113.8 | Q117 D118 M124 | Q117-E121 PolarHBondContact O-N 3.08Å; D118-E121 PolarHBondContact O-N 3.28Å; E121-M124 HydrophobicContact CB-CE 4.48Å; E121-M124 VanDerWaalsContact O-CG 3.3Å; E121-M124 WeakPolarHBondContact O-CG 3.17Å |
| 122 | A | 79.6 | Confident | 72.6 | Confident | 87 Ų | 87 | 110 Ų | 110 | 72% | 0.719 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.2 | -29.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D118 Q119 L120 | D118-A122 VanDerWaalsContact O-CB 3.26Å; D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 3.37Å; Q119-A122 PolarHBondContact O-N 2.84Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.23Å |
| 123 | M | 71.9 | Confident | 71.8 | Confident | 162 Ų | 162 | 111.9 Ų | 111.9 | 80% | 0.798 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -89.4 | -21.7 | -179.7 | -166.2 | 167.8 | -171.2 | 0 | 0 | 113.4 | Q119 L120 | Q119-M123 VanDerWaalsContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CB 3.06Å; Q119-M123 PolarHBondContact O-N 3.3Å; L120-M123 PolarHBondContact O-N 2.67Å |
| 124 | M | 67.1 | Low | 71 | Confident | 100 Ų | 100 | 115.4 Ų | 115.4 | 49% | 0.493 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -62.1 | 127 | 172.9 | 68.9 | 170.5 | -176.1 | 0 | 0 | 109.8 | L120 E121 R126 | L120-M124 PolarHBondContact O-N 2.83Å; E121-M124 HydrophobicContact CB-CE 4.48Å; E121-M124 VanDerWaalsContact O-CG 3.3Å; E121-M124 WeakPolarHBondContact O-CG 3.17Å; M124-R126 PolarHBondContact O-N 3.18Å |
| 125 | P | 59.2 | Low | 70.2 | Confident | 117 Ų | 117 | 114.6 Ų | 114.6 | 76% | 0.76 | 58% | 0.579 | S | S | * | * | trans | -68.7 | 102.8 | 177.5 | 27.5 | -32.7 | 0 | 0 | 0 | 108.2 | I127 | P125-I127 VanDerWaalsContact C-N 3.31Å; P125-I127 PolarHBondContact O-N 3.34Å | ||
| 126 | R | 57.3 | Low | 69.7 | Low | 184 Ų | 184 | 114 Ų | 114 | 69% | 0.694 | 58% | 0.583 | S | S | * | * | trans | -59.4 | 99.3 | 167.8 | -70.9 | -175.7 | -179 | 175.7 | -0.3 | 107.7 | M124 H128 | M124-R126 PolarHBondContact O-N 3.18Å; R126-H128 PolarHBondContact O-N 3.37Å | ||
| 127 | I | 58.7 | Low | 69.4 | Low | 138 Ų | 138 | 115.8 Ų | 115.8 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | trans | -59.1 | 99.9 | 179.4 | -17.5 | 173.7 | 0 | 0 | 0 | 106.8 | P125 L129 Y131 | P125-I127 VanDerWaalsContact C-N 3.31Å; P125-I127 PolarHBondContact O-N 3.34Å; I127-L129 PolarHBondContact O-N 2.89Å; I127-Y131 HydrophobicContact CG2-CD1 4.29Å; I127-Y131 HydrophobicContact CG2-CG 4.03Å | ||
| 128 | H | 57.3 | Low | 69.2 | Low | 141 Ų | 141 | 115.5 Ų | 115.5 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | trans | -59.6 | 142.7 | 178.8 | -98.6 | -91.6 | 0 | 0 | 0 | 108.6 | R126 L130 Y131 | R126-H128 PolarHBondContact O-N 3.37Å; H128-L130 PolarHBondContact O-N 3.36Å; H128-Y131 WeakPolarHBondContact O-CB 3.47Å; H128-Y131 PolarHBondContact O-N 3.41Å | ||
| 129 | L | 59.6 | Low | 68.9 | Low | 162 Ų | 162 | 118 Ų | 118 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -12.3 | 175.7 | -162.2 | 70.6 | 0 | 0 | 0 | 113.8 | I127 P132 | I127-L129 PolarHBondContact O-N 2.89Å; L129-P132 WeakPolarHBondContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.48Å |
| 130 | L | 59.8 | Low | 68.5 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -10.3 | 177.7 | -52.8 | 172.7 | 0 | 0 | 0 | 114 | H128 L133 T134 | H128-L130 PolarHBondContact O-N 3.36Å; L130-L133 HydrophobicContact CD2-CD1 3.76Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 3.01Å; L130-T134 PolarHBondContact O-N 2.93Å |
| 131 | Y | 63.2 | Low | 68.3 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -54.4 | -45.9 | 175.9 | -171.1 | -104.9 | 0 | 0 | 0 | 113.7 | I127 H128 L133 T134 L135 | I127-Y131 HydrophobicContact CG2-CD1 4.29Å; I127-Y131 HydrophobicContact CG2-CG 4.03Å; H128-Y131 WeakPolarHBondContact O-CB 3.47Å; H128-Y131 PolarHBondContact O-N 3.41Å; Y131-L133 PolarHBondContact O-N 3.11Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.29Å; Y131-T134 PolarHBondContact O-N 2.91Å; Y131-T134 VanDerWaalsContact O-N 3.1Å; Y131-T134 PolarHBondContact O-OG1 3.11Å; Y131-L135 HydrophobicContact CD1-CD1 4.28Å; Y131-L135 HydrophobicContact CE1-CD1 3.94Å; Y131-L135 PolarHBondContact O-N 3.41Å |
| 132 | P | 65.7 | Low | 68.1 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.7 | -32.7 | 170.6 | 21.9 | -34.2 | 0 | 0 | 0 | 113.3 | L129 L135 V136 | L129-P132 WeakPolarHBondContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.48Å; P132-L135 PolarHBondContact O-N 3.13Å; P132-V136 WeakPolarHBondContact O-CG2 3.5Å; P132-V136 PolarHBondContact O-N 3.48Å |
| 133 | L | 66.1 | Low | 67.9 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.8 | -30.7 | 175.4 | -60.9 | 176.4 | 0 | 0 | 0 | 112.4 | L130 Y131 R137 | L130-L133 HydrophobicContact CD2-CD1 3.76Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 3.01Å; Y131-L133 PolarHBondContact O-N 3.11Å; L133-R137 VanDerWaalsContact O-CB 3.29Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.09Å |
| 134 | T | 68.1 | Low | 68.1 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -35.2 | 172.4 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | L130 Y131 G138 | L130-T134 PolarHBondContact O-N 2.93Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.29Å; Y131-T134 PolarHBondContact O-N 2.91Å; Y131-T134 VanDerWaalsContact O-N 3.1Å; Y131-T134 PolarHBondContact O-OG1 3.11Å; T134-G138 PolarHBondContact O-N 3.06Å; T134-G138 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 69.4 | Low | 68.3 | Low | 93 Ų | 93 | 113.9 Ų | 113.9 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.5 | -47.7 | 172.4 | -69.8 | 170.1 | 0 | 0 | 0 | 111.7 | Y131 P132 R137 G138 F139 | Y131-L135 HydrophobicContact CD1-CD1 4.28Å; Y131-L135 HydrophobicContact CE1-CD1 3.94Å; Y131-L135 PolarHBondContact O-N 3.41Å; P132-L135 PolarHBondContact O-N 3.13Å; L135-R137 PolarHBondContact O-N 3.37Å; L135-G138 PolarHBondContact O-N 3Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 2.94Å; L135-F139 VanDerWaalsContact O-N 3.11Å |
| 136 | V | 74.6 | Confident | 68.5 | Low | 93 Ų | 93 | 114.3 Ų | 114.3 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -36.5 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | P132 W140 | P132-V136 WeakPolarHBondContact O-CG2 3.5Å; P132-V136 PolarHBondContact O-N 3.48Å; V136-W140 WeakPolarHBondContact O-CB 3.39Å; V136-W140 PolarHBondContact O-N 3.11Å |
| 137 | R | 74.9 | Confident | 68.6 | Low | 172 Ų | 172 | 107.1 Ų | 107.1 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 175.5 | -170.2 | 175.6 | -170.4 | 127.2 | 4.4 | 112.4 | L133 L135 F139 W140 D141 | L133-R137 VanDerWaalsContact O-CB 3.29Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.09Å; L135-R137 PolarHBondContact O-N 3.37Å; R137-F139 PolarHBondContact O-N 3.05Å; R137-W140 PolarHBondContact O-N 3.24Å; R137-W140 VanDerWaalsContact O-N 3.16Å; R137-D141 PolarHBondContact O-N 3.18Å |
| 138 | G | 76.4 | Confident | 68.7 | Low | 36 Ų | 36 | 106 Ų | 106 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T134 L135 W140 D141 D142 | T134-G138 PolarHBondContact O-N 3.06Å; T134-G138 VanDerWaalsContact O-N 3.15Å; L135-G138 PolarHBondContact O-N 3Å; G138-W140 VanDerWaalsContact C-N 3.31Å; G138-W140 PolarHBondContact O-N 3.5Å; G138-D141 PolarHBondContact O-N 2.86Å; G138-D142 PolarHBondContact O-N 2.97Å; G138-D142 VanDerWaalsContact O-N 3.1Å |
| 139 | F | 76.9 | Confident | 68.7 | Low | 153 Ų | 153 | 103 Ų | 103 | 67% | 0.671 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.1 | -37.4 | 174.5 | -87.3 | -77.3 | 0 | 0 | 0 | 113.2 | L135 R137 V143 | L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 2.94Å; L135-F139 VanDerWaalsContact O-N 3.11Å; R137-F139 PolarHBondContact O-N 3.05Å; F139-V143 WeakPolarHBondContact O-CB 3.37Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.27Å; F139-V143 PolarHBondContact O-N 3.4Å; F139-V143 VanDerWaalsContact O-N 3.1Å |
| 140 | W | 74.8 | Confident | 68.5 | Low | 166 Ų | 166 | 102.1 Ų | 102.1 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.2 | -41.2 | 178.7 | -171.2 | -90.5 | 0 | 0 | 0 | 112.5 | V136 R137 G138 V143 M144 | V136-W140 WeakPolarHBondContact O-CB 3.39Å; V136-W140 PolarHBondContact O-N 3.11Å; R137-W140 PolarHBondContact O-N 3.24Å; R137-W140 VanDerWaalsContact O-N 3.16Å; G138-W140 VanDerWaalsContact C-N 3.31Å; G138-W140 PolarHBondContact O-N 3.5Å; W140-V143 PolarHBondContact O-N 3.18Å; W140-M144 HydrophobicContact CZ2-CE 4.06Å; W140-M144 VanDerWaalsContact O-CB 3.24Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 PolarHBondContact O-N 2.86Å |
| 141 | D | 74.1 | Confident | 68.1 | Low | 87 Ų | 87 | 103.3 Ų | 103.3 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 178.7 | -68.7 | -24.5 | 0 | 0 | 0 | 110.8 | R137 G138 M144 S145 | R137-D141 PolarHBondContact O-N 3.18Å; G138-D141 PolarHBondContact O-N 2.86Å; D141-M144 PolarHBondContact O-N 3.22Å; D141-S145 WeakPolarHBondContact O-CB 3.26Å; D141-S145 PolarHBondContact O-N 2.99Å |
| 142 | D | 75.3 | Confident | 67.6 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 60% | 0.599 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -48.7 | 172.9 | -83.8 | -12.6 | 0 | 0 | 0 | 112.3 | G138 M144 S145 Q146 | G138-D142 PolarHBondContact O-N 2.97Å; G138-D142 VanDerWaalsContact O-N 3.1Å; D142-M144 VanDerWaalsContact C-N 3.34Å; D142-M144 PolarHBondContact O-N 2.79Å; D142-S145 PolarHBondContact O-N 3.39Å; D142-S145 PolarHBondContact O-OG 3.03Å; D142-Q146 PolarHBondContact O-N 2.99Å; D142-Q146 VanDerWaalsContact O-N 3.08Å |
| 143 | V | 76.1 | Confident | 67 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | F139 W140 Q146 A147 | F139-V143 WeakPolarHBondContact O-CB 3.37Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.27Å; F139-V143 PolarHBondContact O-N 3.4Å; F139-V143 VanDerWaalsContact O-N 3.1Å; W140-V143 PolarHBondContact O-N 3.18Å; V143-Q146 PolarHBondContact O-N 3.48Å; V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 2.93Å |
| 144 | M | 76.5 | Confident | 66.8 | Low | 77 Ų | 77 | 99.1 Ų | 99.1 | 38% | 0.379 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.7 | -171.6 | 64.3 | 68.9 | 0 | 0 | 111.2 | W140 D141 D142 Q146 A147 H148 | W140-M144 HydrophobicContact CZ2-CE 4.06Å; W140-M144 VanDerWaalsContact O-CB 3.24Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 PolarHBondContact O-N 2.86Å; D141-M144 PolarHBondContact O-N 3.22Å; D142-M144 VanDerWaalsContact C-N 3.34Å; D142-M144 PolarHBondContact O-N 2.79Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 3.36Å; M144-A147 PolarHBondContact O-N 3.47Å; M144-A147 VanDerWaalsContact O-N 3.17Å; M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 3.3Å |
| 145 | S | 69.8 | Low | 66.4 | Low | 70 Ų | 70 | 104.9 Ų | 104.9 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 176.6 | 82.9 | 0 | 0 | 0 | 0 | 112.1 | D141 D142 | D141-S145 WeakPolarHBondContact O-CB 3.26Å; D141-S145 PolarHBondContact O-N 2.99Å; D142-S145 PolarHBondContact O-N 3.39Å; D142-S145 PolarHBondContact O-OG 3.03Å |
| 146 | Q | 63.3 | Low | 66.4 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | 172.6 | -98.6 | -177.5 | 5.6 | 0 | 0 | 112 | D142 V143 M144 H148 S149 F150 | D142-Q146 PolarHBondContact O-N 2.99Å; D142-Q146 VanDerWaalsContact O-N 3.08Å; V143-Q146 PolarHBondContact O-N 3.48Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 3.36Å; Q146-H148 VanDerWaalsContact C-N 3.31Å; Q146-H148 PolarHBondContact O-N 3.15Å; Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 PolarHBondContact O-OG 3.15Å; Q146-F150 HydrophobicContact CB-CE2 4.48Å; Q146-F150 WeakPolarHBondContact O-CD2 3.39Å; Q146-F150 PolarHBondContact O-N 3.14Å |
| 147 | A | 60.4 | Low | 66.2 | Low | 33 Ų | 33 | 104.1 Ų | 104.1 | 27% | 0.273 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V143 M144 S149 F150 I151 | V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 2.93Å; M144-A147 PolarHBondContact O-N 3.47Å; M144-A147 VanDerWaalsContact O-N 3.17Å; A147-S149 PolarHBondContact O-N 3.06Å; A147-F150 PolarHBondContact O-N 3.46Å; A147-F150 VanDerWaalsContact O-N 3.14Å; A147-I151 WeakPolarHBondContact O-CD1 3.28Å; A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å |
| 148 | H | 59.3 | Low | 66.2 | Low | 115 Ų | 115 | 103.1 Ų | 103.1 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -32.8 | 174.8 | -78.1 | -67 | 0 | 0 | 0 | 113.4 | M144 Q146 T152 | M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 3.3Å; Q146-H148 VanDerWaalsContact C-N 3.31Å; Q146-H148 PolarHBondContact O-N 3.15Å; H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.04Å |
| 149 | S | 59.1 | Low | 65.8 | Low | 76 Ų | 76 | 105.8 Ų | 105.8 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 176.2 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | Q146 A147 | Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 PolarHBondContact O-OG 3.15Å; A147-S149 PolarHBondContact O-N 3.06Å |
| 150 | F | 54.9 | Low | 65.1 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.7 | -35.8 | 178 | -67.3 | -69.3 | 0 | 0 | 0 | 112.9 | Q146 A147 T152 S153 | Q146-F150 HydrophobicContact CB-CE2 4.48Å; Q146-F150 WeakPolarHBondContact O-CD2 3.39Å; Q146-F150 PolarHBondContact O-N 3.14Å; A147-F150 PolarHBondContact O-N 3.46Å; A147-F150 VanDerWaalsContact O-N 3.14Å; F150-T152 PolarHBondContact O-N 3.23Å; F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.78Å; F150-S153 PolarHBondContact O-OG 2.93Å |
| 151 | I | 52 | Low | 64.8 | Low | 125 Ų | 125 | 99.8 Ų | 99.8 | 64% | 0.641 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -19.2 | -178.2 | -67.9 | 164.5 | 0 | 0 | 0 | 112.3 | A147 | A147-I151 WeakPolarHBondContact O-CD1 3.28Å; A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å |
| 152 | T | 52.7 | Low | 64.3 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 24.4 | 179.6 | -33.8 | 0 | 0 | 0 | 0 | 112.8 | H148 F150 S154 | H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.04Å; F150-T152 PolarHBondContact O-N 3.23Å; T152-S154 PolarHBondContact O-N 3.4Å |
| 153 | S | 53.2 | Low | 64.1 | Low | 85 Ų | 85 | 103.7 Ų | 103.7 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | trans | -76.4 | 90.3 | -178.8 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | F150 W155 | F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.78Å; F150-S153 PolarHBondContact O-OG 2.93Å; S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.34Å | ||
| 154 | S | 60.4 | Low | 63.8 | Low | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | trans | -72.9 | 83.3 | 168.5 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | T152 | T152-S154 PolarHBondContact O-N 3.4Š| ||
| 155 | W | 61.2 | Low | 63.1 | Low | 207 Ų | 207 | 104.8 Ų | 104.8 | 78% | 0.784 | 56% | 0.555 | S | S | * | * | trans | -57.9 | 133.2 | 168.2 | 61.5 | -27.1 | 0 | 0 | 0 | 111.9 | S153 S171 | S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.34Å; W155-S171 PolarHBondContact NE1-OG 2.81Å | ||
| 156 | T | 69.1 | Low | 63.2 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.7 | 139 | 170.4 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | F169 Q170 | T156-F169 WeakPolarHBondContact CA-O 3.35Å; T156-Q170 HydrophobicContact CG2-CB 3.96Å; T156-Q170 HydrophobicContact CG2-CG 3.9Å |
| 157 | F | 70.8 | Confident | 63.5 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141 | 174.1 | 89.5 | -77.6 | 0 | 0 | 0 | 111.9 | L159 F169 | F157-L159 HydrophobicContact CD2-CD2 4.17Å; F157-L159 HydrophobicContact CD2-CG 3.89Å; F157-L159 HydrophobicContact CE2-CD1 3.59Å; F157-L159 HydrophobicContact CE2-CD2 3.88Å; F157-L159 HydrophobicContact CE2-CG 3.41Å; F157-L159 VanDerWaalsContact CE2-CG 3.41Å; F157-L159 HydrophobicContact CZ-CD1 4.14Å; F157-L159 HydrophobicContact CZ-CG 4.33Å; F157-F169 HydrophobicContact CD1-CB 3.54Å; F157-F169 HydrophobicContact CD1-CD2 4.13Å; F157-F169 HydrophobicContact CD1-CG 4.15Å; F157-F169 HydrophobicContact CE1-CB 3.32Å; F157-F169 HydrophobicContact CE1-CD1 4.38Å; F157-F169 AromaticContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CD2 3.46Å; F157-F169 VanDerWaalsContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CE2 4.35Å; F157-F169 AromaticContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE1-CG 3.48Å; F157-F169 VanDerWaalsContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE2-CD2 4.19Å; F157-F169 HydrophobicContact CZ-CB 4.26Å; F157-F169 AromaticContact CZ-CD2 3.49Å; F157-F169 HydrophobicContact CZ-CD2 3.49Å; F157-F169 VanDerWaalsContact CZ-CD2 3.49Å; F157-F169 AromaticContact CZ-CE2 3.98Å; F157-F169 HydrophobicContact CZ-CE2 3.98Å; F157-F169 AromaticContact CZ-CG 3.96Å; F157-F169 HydrophobicContact CZ-CG 3.96Å; F157-F169 PolarHBondContact N-O 3.27Å; F157-F169 VanDerWaalsContact N-O 3.09Å; F157-F169 PolarHBondContact O-N 3.46Å; F157-F169 VanDerWaalsContact O-N 3.08Å |
| 158 | Y | 73.1 | Confident | 64 | Low | 152 Ų | 152 | 105.7 Ų | 105.7 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 115.2 | -177 | -58.3 | -89.4 | 0 | 0 | 0 | 108.1 | V166 I168 | Y158-V166 HydrophobicContact CD1-CG1 4.17Å; Y158-I168 HydrophobicContact CD1-CD1 4.39Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.32Å; Y158-I168 HydrophobicContact CE1-CD1 4.01Å; Y158-I168 HydrophobicContact CE1-CG1 3.95Å; Y158-I168 HydrophobicContact CE1-CG2 4Å |
| 159 | L | 68.9 | Low | 64.3 | Low | 91 Ų | 91 | 105.1 Ų | 105.1 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.4 | 165.3 | -71.3 | -179.6 | 0 | 0 | 0 | 108.9 | F157 V166 V167 F169 | F157-L159 HydrophobicContact CD2-CD2 4.17Å; F157-L159 HydrophobicContact CD2-CG 3.89Å; F157-L159 HydrophobicContact CE2-CD1 3.59Å; F157-L159 HydrophobicContact CE2-CD2 3.88Å; F157-L159 HydrophobicContact CE2-CG 3.41Å; F157-L159 VanDerWaalsContact CE2-CG 3.41Å; F157-L159 HydrophobicContact CZ-CD1 4.14Å; F157-L159 HydrophobicContact CZ-CG 4.33Å; L159-V166 CarbonylContact O-C 3.57Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; L159-V167 PolarHBondContact N-O 2.85Å; L159-V167 PolarHBondContact O-N 3.45Å; L159-F169 HydrophobicContact CD1-CE2 4.27Å |
| 160 | Q | 63.1 | Low | 64.7 | Low | 143 Ų | 143 | 108.2 Ų | 108.2 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92 | 112.5 | 162.3 | -168.7 | 165.3 | 28.1 | 0 | 0 | 107.2 | V166 | Q160-V166 HydrophobicContact CB-CG2 4.25Å; Q160-V166 HydrophobicContact CG-CG2 4.09Å |
| 161 | A | 66.8 | Low | 65.2 | Low | 51 Ų | 51 | 103.5 Ų | 103.5 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | trans | -79.4 | 160.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D163 G164 K165 | A161-D163 PolarHBondContact O-N 2.9Å; A161-G164 PolarHBondContact O-N 2.82Å; A161-K165 PolarHBondContact N-O 2.83Å; A161-K165 VanDerWaalsContact N-O 3.12Å | ||
| 162 | D | 65.3 | Low | 65.4 | Low | 182 Ų | 182 | 105.1 Ų | 105.1 | 97% | 0.973 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -10 | -176.6 | -62.2 | -42.2 | 0 | 0 | 0 | 114.1 | G164 | D162-G164 VanDerWaalsContact C-N 3.29Š|
| 163 | D | 69.6 | Low | 65.4 | Low | 98 Ų | 98 | 104.8 Ų | 104.8 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6.9 | 173.3 | 80.8 | -28.2 | 0 | 0 | 0 | 113.8 | A161 K165 | A161-D163 PolarHBondContact O-N 2.9Å; D163-K165 PolarHBondContact O-N 3.46Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 PolarHBondContact OD1-N 2.88Å; D163-K165 IonicContact OD2-NZ 3.89Å; D163-K165 PolarHBondContact OD2-NZ 3.23Å |
| 164 | G | 69.7 | Low | 64.8 | Low | 53 Ų | 53 | 108.4 Ų | 108.4 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 77.9 | 1.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A161 D162 | A161-G164 PolarHBondContact O-N 2.82Å; D162-G164 VanDerWaalsContact C-N 3.29Å |
| 165 | K | 62.4 | Low | 64.3 | Low | 136 Ų | 136 | 110.8 Ų | 110.8 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 134.2 | 175.2 | -58.9 | -166.6 | -167.9 | 95.6 | 0 | 110.6 | A161 D163 | A161-K165 PolarHBondContact N-O 2.83Å; A161-K165 VanDerWaalsContact N-O 3.12Å; D163-K165 PolarHBondContact O-N 3.46Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 PolarHBondContact OD1-N 2.88Å; D163-K165 IonicContact OD2-NZ 3.89Å; D163-K165 PolarHBondContact OD2-NZ 3.23Å |
| 166 | V | 72.4 | Confident | 63.2 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.4 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | Y158 L159 Q160 I168 | Y158-V166 HydrophobicContact CD1-CG1 4.17Å; L159-V166 CarbonylContact O-C 3.57Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; Q160-V166 HydrophobicContact CB-CG2 4.25Å; Q160-V166 HydrophobicContact CG-CG2 4.09Å; V166-I168 HydrophobicContact CG1-CG1 4.44Å |
| 167 | V | 68.2 | Low | 62 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.6 | 171.3 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L159 F169 | L159-V167 PolarHBondContact N-O 2.85Å; L159-V167 PolarHBondContact O-N 3.45Å; V167-F169 HydrophobicContact CB-CE2 4.05Å; V167-F169 HydrophobicContact CG1-CD2 4.06Å; V167-F169 HydrophobicContact CG1-CE1 4.41Å; V167-F169 HydrophobicContact CG1-CE2 3.47Å; V167-F169 VanDerWaalsContact CG1-CE2 3.47Å; V167-F169 HydrophobicContact CG1-CZ 3.68Å |
| 168 | I | 72.9 | Confident | 60.4 | Low | 100 Ų | 100 | 117.3 Ų | 117.3 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.9 | 179 | -49.5 | 177.4 | 0 | 0 | 0 | 107.6 | Y158 V166 | Y158-I168 HydrophobicContact CD1-CD1 4.39Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.32Å; Y158-I168 HydrophobicContact CE1-CD1 4.01Å; Y158-I168 HydrophobicContact CE1-CG1 3.95Å; Y158-I168 HydrophobicContact CE1-CG2 4Å; V166-I168 HydrophobicContact CG1-CG1 4.44Å |
| 169 | F | 64.4 | Low | 58.6 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 45% | 0.447 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.7 | 170.3 | -64.8 | -90.7 | 0 | 0 | 0 | 108.7 | T156 F157 L159 V167 | T156-F169 WeakPolarHBondContact CA-O 3.35Å; F157-F169 HydrophobicContact CD1-CB 3.54Å; F157-F169 HydrophobicContact CD1-CD2 4.13Å; F157-F169 HydrophobicContact CD1-CG 4.15Å; F157-F169 HydrophobicContact CE1-CB 3.32Å; F157-F169 HydrophobicContact CE1-CD1 4.38Å; F157-F169 AromaticContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CD2 3.46Å; F157-F169 VanDerWaalsContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CE2 4.35Å; F157-F169 AromaticContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE1-CG 3.48Å; F157-F169 VanDerWaalsContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE2-CD2 4.19Å; F157-F169 HydrophobicContact CZ-CB 4.26Å; F157-F169 AromaticContact CZ-CD2 3.49Å; F157-F169 HydrophobicContact CZ-CD2 3.49Å; F157-F169 VanDerWaalsContact CZ-CD2 3.49Å; F157-F169 AromaticContact CZ-CE2 3.98Å; F157-F169 HydrophobicContact CZ-CE2 3.98Å; F157-F169 AromaticContact CZ-CG 3.96Å; F157-F169 HydrophobicContact CZ-CG 3.96Å; F157-F169 PolarHBondContact N-O 3.27Å; F157-F169 VanDerWaalsContact N-O 3.09Å; F157-F169 PolarHBondContact O-N 3.46Å; F157-F169 VanDerWaalsContact O-N 3.08Å; L159-F169 HydrophobicContact CD1-CE2 4.27Å; V167-F169 HydrophobicContact CB-CE2 4.05Å; V167-F169 HydrophobicContact CG1-CD2 4.06Å; V167-F169 HydrophobicContact CG1-CE1 4.41Å; V167-F169 HydrophobicContact CG1-CE2 3.47Å; V167-F169 VanDerWaalsContact CG1-CE2 3.47Å; V167-F169 HydrophobicContact CG1-CZ 3.68Å |
| 170 | Q | 66.9 | Low | 57 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.4 | 178.6 | 176.6 | 175.3 | 2.5 | 0 | 0 | 108.6 | T156 | T156-Q170 HydrophobicContact CG2-CB 3.96Å; T156-Q170 HydrophobicContact CG2-CG 3.9Å |
| 171 | S | 66.8 | Low | 56 | Low | 46 Ų | 46 | 119.6 Ų | 119.6 | 32% | 0.322 | 62% | 0.619 | S | S | . | * | trans | -90 | 127.9 | 169.8 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | W155 | W155-S171 PolarHBondContact NE1-OG 2.81Š| ||
| 172 | E | 54.6 | Low | 54.3 | Low | 160 Ų | 160 | 126.6 Ų | 126.6 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -79.9 | 133.6 | 169 | -64.4 | -176.8 | 156.1 | 0 | 0 | 110.6 | Q174 | E172-Q174 PolarHBondContact O-N 3.31Å; E172-Q174 VanDerWaalsContact O-N 3.11Å | ||
| 173 | P | 53.1 | Low | 53.3 | Low | 71 Ų | 71 | 125 Ų | 125 | 46% | 0.461 | 63% | 0.634 | S | S | . | * | trans | -74.1 | 102.4 | 176.3 | 29.7 | -33 | 0 | 0 | 0 | 110.4 | I175 | P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 3.38Å | ||
| 174 | Q | 41.3 | Very low | 51.3 | Low | 161 Ų | 161 | 125.3 Ų | 125.3 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | trans | -76.1 | 73.3 | 170.7 | -69.2 | -164.1 | 15.3 | 0 | 0 | 111.5 | E172 R176 | E172-Q174 PolarHBondContact O-N 3.31Å; E172-Q174 VanDerWaalsContact O-N 3.11Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.32Å | ||
| 175 | I | 50.3 | Low | 49.4 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 59% | 0.585 | 64% | 0.644 | S | S | * | * | trans | -68.7 | 89.7 | 166.7 | 17.1 | 170.1 | 0 | 0 | 0 | 109.6 | P173 I177 | P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 3.38Å; I175-I177 HydrophobicContact CB-CG1 4.15Å; I175-I177 PolarHBondContact O-N 2.84Å | ||
| 176 | R | 38.5 | Very low | 47.7 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | trans | -73.9 | 78.6 | 160.3 | -69.2 | -167.9 | -173.5 | -157.6 | 2 | 108.9 | Q174 F178 | Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.32Å; R176-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | I | 42 | Very low | 45.4 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 64% | 0.641 | 65% | 0.654 | S | S | * | * | trans | -65.5 | 110.6 | 166.9 | -53.1 | 176.5 | 0 | 0 | 0 | 106.2 | I175 S179 | I175-I177 HydrophobicContact CB-CG1 4.15Å; I175-I177 PolarHBondContact O-N 2.84Å; I177-S179 PolarHBondContact O-N 2.9Å | ||
| 178 | F | 37.8 | Very low | 43.5 | Very low | 191 Ų | 191 | 136 Ų | 136 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | trans | -75.2 | 71.8 | 166.1 | -68.9 | -81.1 | 0 | 0 | 0 | 108.3 | R176 | R176-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact O-N 3.14Å | ||
| 179 | S | 34.9 | Very low | 41.3 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | trans | -63.3 | 137.2 | 170.9 | 48.3 | 0 | 0 | 0 | 0 | 109.2 | I177 | I177-S179 PolarHBondContact O-N 2.9Š| ||
| 180 | Q | 35.1 | Very low | 39.4 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -59.6 | 142.3 | -173.6 | -66.5 | 161.1 | -43.9 | 0 | 0 | 112 | E182 | Q180-E182 PolarHBondContact O-N 3.33Š| ||
| 181 | I | 43.8 | Very low | 37.9 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | 40.4 | 81.2 | 135.6 | -48.6 | 167.7 | 0 | 0 | 0 | 114 | ||||
| 182 | E | 29.4 | Very low | 36 | Very low | 197 Ų | 197 | 147 Ų | 147 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | trans | -104.7 | 98.2 | 166.2 | -151.4 | 160.9 | -146.3 | 0 | 0 | 110.1 | Q180 | Q180-E182 PolarHBondContact O-N 3.33Š| ||
| 183 | L | 44.5 | Very low | 34.6 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | -67.8 | 134.7 | 161.7 | 172.6 | 75.1 | 0 | 0 | 0 | 108.6 | ||||
| 184 | D | 28.7 | Very low | 33.3 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 56% | 0.556 | 74% | 0.739 | S | S | * | * | 152.7 | 144.8 | 121.8 | -160.2 | 16.8 | 0 | 0 | 0 | 114.5 | |||||
| 185 | K | 29.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | 56.2 | 153.1 | 155.9 | -86.6 | 157.7 | -151.7 | 148.4 | 0 | 121.2 | ||||
| 186 | D | 26.6 | Very low | 31.9 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | cis | -160.2 | 176.3 | -16.2 | -146.6 | 13.7 | 0 | 0 | 0 | 106.3 | ||||
| 187 | S | 25.5 | Very low | 31.4 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 54% | 0.538 | 76% | 0.756 | S | S | . | * | cis | -156 | 162 | 1.2 | 92.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 188 | K | 26.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 37.1 | 116.5 | 145.6 | -58.3 | 169.1 | -177.6 | 171.1 | 0 | 119.9 | ||||
| 189 | E | 27.3 | Very low | 30.2 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | -163.6 | 148.5 | 100.8 | -105 | 178.6 | -169.1 | 0 | 0 | 111.5 | |||||
| 190 | E | 25.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -133.1 | 166.9 | 177.8 | -121.7 | -149.9 | 126.2 | 0 | 0 | 106.6 | ||||
| 191 | P | 35.8 | Very low | 29.8 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | cis | -145.8 | -173.4 | 18.7 | 32.8 | -7.5 | 0 | 0 | 0 | 117 | ||||
| 192 | Q | 25.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | trans | 74.7 | 120.1 | 160.3 | -50.7 | -168.2 | 8.2 | 0 | 0 | 117.3 | ||||
| 193 | K | 25.1 | Very low | 29.1 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 155.9 | 44.4 | -115 | 142.6 | -178.5 | 153.2 | 0 | 111.9 | ||||
| 194 | S | 26.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 55.7 | 107 | 156.2 | 54.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 195 | L | 27 | Very low | 28.4 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | -58.7 | 155.9 | 139.4 | -129.1 | 92.1 | 0 | 0 | 0 | 109.3 | ||||
| 196 | P | 34.6 | Very low | 28.4 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | -141.8 | 138.5 | 54.8 | 33.3 | -12 | 0 | 0 | 0 | 118.3 | |||||
| 197 | R | 26.9 | Very low | 28.6 | Very low | 223 Ų | 223 | 153.8 Ų | 153.8 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | 30.7 | 105 | 129.9 | -170.6 | -166.9 | -138.4 | 169.7 | 6.3 | 118.8 | |||||
| 198 | L | 28.6 | Very low | 28.9 | Very low | 150 Ų | 150 | 159.2 Ų | 159.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -175.2 | 144.3 | 116.5 | -145.3 | 65.4 | 0 | 0 | 0 | 114.3 | |||||
| 199 | S | 27.4 | Very low | 29 | Very low | 87 Ų | 87 | 155.1 Ų | 155.1 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | 47.6 | 115.2 | 149 | 58.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 200 | N | 28.6 | Very low | 29.2 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 57.6 | 119.3 | 134 | -57.2 | 1 | 0 | 0 | 0 | 122.2 | ||||
| 201 | P | 31.7 | Very low | 29.9 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -80.8 | 119.4 | 144.1 | 32.6 | -27.1 | 0 | 0 | 0 | 109.1 | ||||
| 202 | I | 31 | Very low | 29.7 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 53.9 | 83.1 | 81.7 | -53.8 | 177.2 | 0 | 0 | 0 | 111.8 | |||||
| 203 | Y | 27.6 | Very low | 30 | Very low | 224 Ų | 224 | 154.1 Ų | 154.1 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | -71.6 | 137.1 | 159.6 | -81.6 | -100.4 | 0 | 0 | 0 | 109.4 | E205 | Y203-E205 PolarHBondContact O-N 2.9Š| ||
| 204 | K | 30 | Very low | 30.3 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -83.7 | 107.6 | 168.6 | -90.4 | -173.4 | 174.3 | 178.9 | 0 | 110.1 | ||||
| 205 | E | 28.2 | Very low | 30.3 | Very low | 144 Ų | 144 | 156.1 Ų | 156.1 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | trans | -53.7 | 131.9 | 165.2 | -172.4 | 73.5 | -160 | 0 | 0 | 111.3 | Y203 H207 | Y203-E205 PolarHBondContact O-N 2.9Å; E205-H207 IonicContact OE1-ND1 3.74Å | ||
| 206 | Y | 30.4 | Very low | 30.5 | Very low | 226 Ų | 226 | 159.8 Ų | 159.8 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | trans | -128 | 95.5 | 151.2 | -105.7 | -79.9 | 0 | 0 | 0 | 109.1 | ||||
| 207 | H | 30.5 | Very low | 30.2 | Very low | 126 Ų | 126 | 163.1 Ų | 163.1 | 58% | 0.583 | 76% | 0.757 | S | S | * | * | trans | -36.1 | 155.4 | 154.5 | -96.5 | -27.6 | 0 | 0 | 0 | 112.9 | E205 | E205-H207 IonicContact OE1-ND1 3.74Š| ||
| 208 | R | 32 | Very low | 30.6 | Very low | 191 Ų | 191 | 160.2 Ų | 160.2 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -166.3 | 139 | 27.7 | -139.5 | -161.2 | 172.7 | 98.3 | -0.2 | 113.6 | ||||
| 209 | T | 27.9 | Very low | 30.7 | Very low | 97 Ų | 97 | 158.6 Ų | 158.6 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | trans | 61.2 | 150.6 | 135.4 | 49 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 210 | L | 33 | Very low | 30.8 | Very low | 158 Ų | 158 | 158 Ų | 158 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 75.6 | 117 | 168 | -57.8 | 122.8 | 0 | 0 | 0 | 113.1 | ||||
| 211 | I | 39.6 | Very low | 31 | Very low | 172 Ų | 172 | 159.4 Ų | 159.4 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | cis | -123.7 | 139.2 | 34.8 | -71.4 | 161.2 | 0 | 0 | 0 | 113.3 | ||||
| 212 | Q | 30.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 165 Ų | 165 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -89.7 | 138.2 | 168.4 | 160 | -162 | -45.3 | 0 | 0 | 109 | ||||
| 213 | E | 32.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 163.4 Ų | 163.4 | 54% | 0.542 | 78% | 0.776 | S | S | . | * | 176 | 121.7 | 125.7 | -145 | 64.8 | -137.3 | 0 | 0 | 111 | |||||
| 214 | R | 32 | Very low | 31.5 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | 52.1 | 151 | 139.6 | -79.7 | -170.5 | 159.2 | 94.7 | -3.2 | 123.4 | ||||
| 215 | D | 26.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 160.8 Ų | 160.8 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | cis | -160.6 | 173.2 | -9.6 | -142.5 | -41 | 0 | 0 | 0 | 108.9 | ||||
| 216 | R | 31.8 | Very low | 32.6 | Very low | 232 Ų | 232 | 159.6 Ų | 159.6 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | 79.1 | 108.5 | 169.8 | -75.1 | -168 | 149.4 | 101.8 | 2.2 | 120.8 | ||||
| 217 | E | 28.5 | Very low | 33.2 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | -46.5 | 141.6 | 145.7 | -49.9 | 162.1 | 137.4 | 0 | 0 | 112.9 | ||||
| 218 | L | 33.8 | Very low | 34.3 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | -172.9 | 136.4 | 108.5 | -168.6 | 62.4 | 0 | 0 | 0 | 111.6 | |||||
| 219 | S | 32 | Very low | 35.5 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | -35.6 | 144.3 | 178.1 | -43.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 220 | G | 29.6 | Very low | 36.9 | Very low | 74 Ų | 74 | 151.6 Ų | 151.6 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 170.3 | 104.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 221 | E | 32.8 | Very low | 37.9 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | 0.6 | 121.8 | 159.8 | -120.1 | 80.7 | 163.1 | 0 | 0 | 119.3 | ||||
| 222 | R | 32.3 | Very low | 38.7 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | -166.2 | 137.6 | 125.5 | -108.4 | 171.3 | -167 | 98 | -2.4 | 113 | |||||
| 223 | S | 32 | Very low | 39.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | trans | -64.1 | 127.1 | 177.3 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 224 | Y | 36.4 | Very low | 40.9 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -95.7 | 106.5 | 164.6 | -89.3 | -94 | 0 | 0 | 0 | 109.2 | ||||
| 225 | D | 38.2 | Very low | 42 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | -125.6 | 81.3 | 155.7 | -173.8 | 35.2 | 0 | 0 | 0 | 107 | G227 | D225-G227 PolarHBondContact O-N 3.35Š| ||
| 226 | D | 42.9 | Very low | 43.4 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -94.9 | 80 | 175.1 | -165.8 | 50.7 | 0 | 0 | 0 | 109.2 | Y228 N229 | D226-Y228 PolarHBondContact O-N 2.86Å; D226-Y228 VanDerWaalsContact O-N 3.08Å; D226-N229 PolarHBondContact OD1-ND2 3.48Å; D226-N229 PolarHBondContact OD2-ND2 2.97Å | ||
| 227 | G | 43.4 | Very low | 44.7 | Very low | 30 Ų | 30 | 132.7 Ų | 132.7 | 31% | 0.309 | 69% | 0.688 | S | S | . | * | trans | -66.9 | 102.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D225 N229 | D225-G227 PolarHBondContact O-N 3.35Å; G227-N229 PolarHBondContact O-N 3.11Å; G227-N229 VanDerWaalsContact O-N 3.11Å | ||
| 228 | Y | 53.5 | Low | 46 | Very low | 224 Ų | 224 | 129.7 Ų | 129.7 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | trans | 41.8 | 57.9 | 151.6 | 43.1 | -93.9 | 0 | 0 | 0 | 115.9 | D226 L230 | D226-Y228 PolarHBondContact O-N 2.86Å; D226-Y228 VanDerWaalsContact O-N 3.08Å; Y228-L230 PolarHBondContact O-N 3.2Å | ||
| 229 | N | 56.2 | Low | 47.1 | Very low | 82 Ų | 82 | 133 Ų | 133 | 44% | 0.439 | 69% | 0.686 | S | S | . | * | trans | -61.4 | 93.9 | 172.1 | -74.1 | -61.5 | 0 | 0 | 0 | 112.2 | D226 G227 F231 S232 | D226-N229 PolarHBondContact OD1-ND2 3.48Å; D226-N229 PolarHBondContact OD2-ND2 2.97Å; G227-N229 PolarHBondContact O-N 3.11Å; G227-N229 VanDerWaalsContact O-N 3.11Å; N229-F231 PolarHBondContact O-N 3.36Å; N229-S232 VanDerWaalsContact O-CB 3.25Å; N229-S232 WeakPolarHBondContact O-CB 3.4Å; N229-S232 PolarHBondContact O-N 2.69Å | ||
| 230 | L | 57.5 | Low | 48.3 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | -34.8 | 174.7 | -175.1 | 71.7 | 0 | 0 | 0 | 112.8 | Y228 S232 C233 | Y228-L230 PolarHBondContact O-N 3.2Å; L230-S232 VanDerWaalsContact C-N 3.25Å; L230-S232 PolarHBondContact O-N 3.32Å; L230-C233 PolarHBondContact O-N 3.3Å |
| 231 | F | 53.7 | Low | 50.3 | Low | 89 Ų | 89 | 132.3 Ų | 132.3 | 39% | 0.39 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.6 | -22.7 | 179 | -60.6 | -73.3 | 0 | 0 | 0 | 114.4 | N229 C233 L234 S235 L249 | N229-F231 PolarHBondContact O-N 3.36Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.93Å; F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.15Å; F231-S235 PolarHBondContact O-N 2.83Å; F231-S235 PolarHBondContact O-OG 3.17Å; F231-L249 HydrophobicContact CE1-CD1 4.07Å; F231-L249 HydrophobicContact CZ-CD1 4.48Å |
| 232 | S | 56.6 | Low | 52 | Low | 80 Ų | 80 | 125.3 Ų | 125.3 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.6 | -24.7 | -178.6 | -160.9 | 0 | 0 | 0 | 0 | 113.1 | N229 L230 S235 | N229-S232 VanDerWaalsContact O-CB 3.25Å; N229-S232 WeakPolarHBondContact O-CB 3.4Å; N229-S232 PolarHBondContact O-N 2.69Å; L230-S232 VanDerWaalsContact C-N 3.25Å; L230-S232 PolarHBondContact O-N 3.32Å; S232-S235 PolarHBondContact O-OG 3.4Å |
| 233 | C | 57 | Low | 53.8 | Low | 101 Ų | 101 | 124.7 Ų | 124.7 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79 | -32.9 | 172.3 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | L230 F231 R236 | L230-C233 PolarHBondContact O-N 3.3Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.93Å; C233-R236 WeakPolarHBondContact O-CB 3.48Å |
| 234 | L | 53.2 | Low | 55.9 | Low | 106 Ų | 106 | 122.8 Ų | 122.8 | 56% | 0.555 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.6 | -30.3 | 179.5 | -73.5 | 164.6 | 0 | 0 | 0 | 112.5 | F231 R236 L245 | F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.15Å; L234-R236 PolarHBondContact O-N 2.79Å; L234-L245 HydrophobicContact CB-CD1 4.17Å |
| 235 | S | 53.7 | Low | 57.6 | Low | 46 Ų | 46 | 114.6 Ų | 114.6 | 32% | 0.322 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | 6.2 | 175.7 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | F231 S232 N237 | F231-S235 PolarHBondContact O-N 2.83Å; F231-S235 PolarHBondContact O-OG 3.17Å; S232-S235 PolarHBondContact O-OG 3.4Å; S235-N237 PolarHBondContact O-N 3.46Å |
| 236 | R | 56.1 | Low | 59.3 | Low | 213 Ų | 213 | 109.7 Ų | 109.7 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -3.5 | -175.4 | -160.1 | 162.1 | 179.1 | 149.3 | -3.1 | 114.1 | C233 L234 | C233-R236 WeakPolarHBondContact O-CB 3.48Å; L234-R236 PolarHBondContact O-N 2.79Å |
| 237 | N | 60.3 | Low | 61 | Low | 122 Ų | 122 | 107.3 Ų | 107.3 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -84.1 | 116.2 | 167.5 | -69.7 | -42.1 | 0 | 0 | 0 | 109.8 | S235 W239 L240 | S235-N237 PolarHBondContact O-N 3.46Å; N237-W239 PolarHBondContact O-N 3.06Å; N237-L240 PolarHBondContact O-N 3.31Å |
| 238 | P | 54 | Low | 62.9 | Low | 125 Ų | 125 | 109.4 Ų | 109.4 | 81% | 0.812 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 16 | -166.5 | 27.8 | -35.3 | 0 | 0 | 0 | 116.2 | ||
| 239 | W | 57.3 | Low | 64.3 | Low | 233 Ų | 233 | 102.4 Ų | 102.4 | 88% | 0.883 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -5.2 | -175.5 | -79.4 | 82.3 | 0 | 0 | 0 | 115 | N237 | N237-W239 PolarHBondContact O-N 3.06Š|
| 240 | L | 58 | Low | 65.6 | Low | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -122.8 | 112.7 | 169 | -99.7 | 89.8 | 0 | 0 | 0 | 111.1 | N237 G242 I244 | N237-L240 PolarHBondContact O-N 3.31Å; L240-G242 PolarHBondContact O-N 2.9Å; L240-I244 HydrophobicContact CD2-CG2 4.01Å |
| 241 | P | 71.9 | Confident | 66.6 | Low | 77 Ų | 77 | 102 Ų | 102 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | trans | -63 | 135.7 | 169.6 | 25.6 | -32.9 | 0 | 0 | 0 | 110.1 | W243 I244 | P241-W243 PolarHBondContact O-N 2.86Å; P241-I244 HydrophobicContact CG-CD1 3.69Å; P241-I244 HydrophobicContact CG-CG1 3.99Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 3.33Å | ||
| 242 | G | 68.2 | Low | 68.2 | Low | 31 Ų | 31 | 100.6 Ų | 100.6 | 32% | 0.32 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.5 | -26.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L240 I244 L245 T246 | L240-G242 PolarHBondContact O-N 2.9Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 2.85Å; G242-L245 WeakPolarHBondContact O-CB 3.37Å; G242-L245 PolarHBondContact O-N 2.73Å; G242-T246 PolarHBondContact O-N 2.94Å; G242-T246 PolarHBondContact O-OG1 3.49Å |
| 243 | W | 70.3 | Confident | 69.8 | Low | 216 Ų | 216 | 100 Ų | 100 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -31.4 | 172.4 | -62.8 | 88.6 | 0 | 0 | 0 | 113.6 | P241 T246 T247 | P241-W243 PolarHBondContact O-N 2.86Å; W243-T246 WeakPolarHBondContact CA-OG1 3.44Å; W243-T246 PolarHBondContact O-OG1 2.85Å; W243-T247 WeakPolarHBondContact O-CB 3.46Å; W243-T247 VanDerWaalsContact O-CG2 3.23Å; W243-T247 WeakPolarHBondContact O-CG2 3.29Å; W243-T247 PolarHBondContact O-N 3.41Å; W243-T247 PolarHBondContact O-OG1 3.1Å |
| 244 | I | 75.8 | Confident | 70.9 | Confident | 80 Ų | 80 | 98.2 Ų | 98.2 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.9 | -37.2 | 174.4 | -65.2 | 178.9 | 0 | 0 | 0 | 110.3 | L240 P241 G242 T247 T248 | L240-I244 HydrophobicContact CD2-CG2 4.01Å; P241-I244 HydrophobicContact CG-CD1 3.69Å; P241-I244 HydrophobicContact CG-CG1 3.99Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 3.33Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 2.85Å; I244-T247 WeakPolarHBondContact CA-OG1 3.2Å; I244-T247 PolarHBondContact O-OG1 2.9Å; I244-T248 HydrophobicContact CG2-CG2 4.23Å; I244-T248 WeakPolarHBondContact O-CB 3.26Å; I244-T248 VanDerWaalsContact O-CG2 3.26Å; I244-T248 WeakPolarHBondContact O-CG2 3.34Å; I244-T248 PolarHBondContact O-N 3.24Å; I244-T248 PolarHBondContact O-OG1 3.45Å |
| 245 | L | 71 | Confident | 72.6 | Confident | 49 Ų | 49 | 96.6 Ų | 96.6 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 178.6 | -144.8 | 172.4 | 0 | 0 | 0 | 110.9 | L234 G242 T248 L249 | L234-L245 HydrophobicContact CB-CD1 4.17Å; G242-L245 WeakPolarHBondContact O-CB 3.37Å; G242-L245 PolarHBondContact O-N 2.73Å; L245-T248 PolarHBondContact O-OG1 3.1Å; L245-T248 VanDerWaalsContact O-OG1 3.12Å; L245-L249 VanDerWaalsContact O-CB 3.32Å; L245-L249 WeakPolarHBondContact O-CB 3.5Å; L245-L249 PolarHBondContact O-N 3.37Å |
| 246 | T | 75.9 | Confident | 73.9 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | G242 W243 L249 I250 | G242-T246 PolarHBondContact O-N 2.94Å; G242-T246 PolarHBondContact O-OG1 3.49Å; W243-T246 WeakPolarHBondContact CA-OG1 3.44Å; W243-T246 PolarHBondContact O-OG1 2.85Å; T246-L249 PolarHBondContact O-N 2.9Å; T246-I250 WeakPolarHBondContact O-CB 3.28Å; T246-I250 WeakPolarHBondContact O-CD1 3.47Å; T246-I250 VanDerWaalsContact O-CG1 3.22Å; T246-I250 WeakPolarHBondContact O-CG1 3.3Å; T246-I250 PolarHBondContact O-N 3.39Å |
| 247 | T | 78.1 | Confident | 75.4 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.4 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | W243 I244 I250 L251 | W243-T247 WeakPolarHBondContact O-CB 3.46Å; W243-T247 VanDerWaalsContact O-CG2 3.23Å; W243-T247 WeakPolarHBondContact O-CG2 3.29Å; W243-T247 PolarHBondContact O-N 3.41Å; W243-T247 PolarHBondContact O-OG1 3.1Å; I244-T247 WeakPolarHBondContact CA-OG1 3.2Å; I244-T247 PolarHBondContact O-OG1 2.9Å; T247-I250 PolarHBondContact O-N 3.16Å; T247-L251 VanDerWaalsContact O-CB 3.26Å; T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 WeakPolarHBondContact O-CG 3.37Å; T247-L251 PolarHBondContact O-N 2.95Å |
| 248 | T | 83.2 | Confident | 76.7 | Confident | 73 Ų | 73 | 97.2 Ų | 97.2 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 175.5 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | I244 L245 S252 | I244-T248 HydrophobicContact CG2-CG2 4.23Å; I244-T248 WeakPolarHBondContact O-CB 3.26Å; I244-T248 VanDerWaalsContact O-CG2 3.26Å; I244-T248 WeakPolarHBondContact O-CG2 3.34Å; I244-T248 PolarHBondContact O-N 3.24Å; I244-T248 PolarHBondContact O-OG1 3.45Å; L245-T248 PolarHBondContact O-OG1 3.1Å; L245-T248 VanDerWaalsContact O-OG1 3.12Å; T248-S252 WeakPolarHBondContact O-CB 3.29Å; T248-S252 PolarHBondContact O-N 2.97Å |
| 249 | L | 81.5 | Confident | 78.2 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 172.6 | -171.5 | 158.9 | 0 | 0 | 0 | 111.5 | F231 L245 T246 L251 S252 V253 | F231-L249 HydrophobicContact CE1-CD1 4.07Å; F231-L249 HydrophobicContact CZ-CD1 4.48Å; L245-L249 VanDerWaalsContact O-CB 3.32Å; L245-L249 WeakPolarHBondContact O-CB 3.5Å; L245-L249 PolarHBondContact O-N 3.37Å; T246-L249 PolarHBondContact O-N 2.9Å; L249-L251 PolarHBondContact O-N 3.15Å; L249-S252 PolarHBondContact O-N 2.9Å; L249-S252 PolarHBondContact O-OG 3.12Å; L249-V253 HydrophobicContact CD2-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.89Å |
| 250 | I | 83.7 | Confident | 79.3 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.5 | -68.6 | 163.4 | 0 | 0 | 0 | 111.1 | T246 T247 V253 S254 | T246-I250 WeakPolarHBondContact O-CB 3.28Å; T246-I250 WeakPolarHBondContact O-CD1 3.47Å; T246-I250 VanDerWaalsContact O-CG1 3.22Å; T246-I250 WeakPolarHBondContact O-CG1 3.3Å; T246-I250 PolarHBondContact O-N 3.39Å; T247-I250 PolarHBondContact O-N 3.16Å; I250-V253 PolarHBondContact O-N 3.22Å; I250-S254 WeakPolarHBondContact O-CB 3.45Å; I250-S254 PolarHBondContact O-N 3.41Å; I250-S254 PolarHBondContact O-OG 2.91Å |
| 251 | L | 80.1 | Confident | 80.1 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 56% | 0.56 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 175.4 | -76.2 | 168.3 | 0 | 0 | 0 | 111.6 | T247 L249 S254 V255 | T247-L251 VanDerWaalsContact O-CB 3.26Å; T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 WeakPolarHBondContact O-CG 3.37Å; T247-L251 PolarHBondContact O-N 2.95Å; L249-L251 PolarHBondContact O-N 3.15Å; L251-S254 PolarHBondContact O-N 2.94Å; L251-V255 WeakPolarHBondContact O-CB 3.32Å; L251-V255 VanDerWaalsContact O-CG2 3.28Å; L251-V255 WeakPolarHBondContact O-CG2 3.42Å; L251-V255 PolarHBondContact O-N 3.1Å |
| 252 | S | 86.7 | Confident | 80.3 | Confident | 60 Ų | 60 | 84.7 Ų | 84.7 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | T248 L249 V255 L256 | T248-S252 WeakPolarHBondContact O-CB 3.29Å; T248-S252 PolarHBondContact O-N 2.97Å; L249-S252 PolarHBondContact O-N 2.9Å; L249-S252 PolarHBondContact O-OG 3.12Å; S252-V255 PolarHBondContact O-N 2.69Å; S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.3Å; S252-L256 WeakPolarHBondContact O-CG 3.22Å; S252-L256 PolarHBondContact O-N 3.4Å |
| 253 | V | 90 | Very high | 80.6 | Confident | 69 Ų | 69 | 86.9 Ų | 86.9 | 42% | 0.418 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L249 I250 L256 I257 | L249-V253 HydrophobicContact CD2-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.89Å; I250-V253 PolarHBondContact O-N 3.22Å; V253-L256 PolarHBondContact O-N 3.05Å; V253-I257 HydrophobicContact CG1-CD1 3.84Å; V253-I257 HydrophobicContact CG1-CG1 4.49Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 2.67Å |
| 254 | S | 79.8 | Confident | 80.7 | Confident | 62 Ų | 62 | 82.1 Ų | 82.1 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | I250 L251 W258 | I250-S254 WeakPolarHBondContact O-CB 3.45Å; I250-S254 PolarHBondContact O-N 3.41Å; I250-S254 PolarHBondContact O-OG 2.91Å; L251-S254 PolarHBondContact O-N 2.94Å; S254-W258 WeakPolarHBondContact O-CB 3.39Å; S254-W258 PolarHBondContact O-N 3Å |
| 255 | V | 88.3 | Confident | 80.5 | Confident | 73 Ų | 73 | 82.4 Ų | 82.4 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 173.8 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L251 S252 W258 I259 | L251-V255 WeakPolarHBondContact O-CB 3.32Å; L251-V255 VanDerWaalsContact O-CG2 3.28Å; L251-V255 WeakPolarHBondContact O-CG2 3.42Å; L251-V255 PolarHBondContact O-N 3.1Å; S252-V255 PolarHBondContact O-N 2.69Å; V255-W258 PolarHBondContact O-N 3.14Å; V255-I259 HydrophobicContact CG1-CD1 3.75Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CB 3.33Å; V255-I259 VanDerWaalsContact O-CG1 3.28Å; V255-I259 WeakPolarHBondContact O-CG1 3.23Å; V255-I259 PolarHBondContact O-N 3.03Å |
| 256 | L | 82.1 | Confident | 80.1 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 173.5 | -74.3 | 170.3 | 0 | 0 | 0 | 111.5 | S252 V253 I259 C260 | S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.3Å; S252-L256 WeakPolarHBondContact O-CG 3.22Å; S252-L256 PolarHBondContact O-N 3.4Å; V253-L256 PolarHBondContact O-N 3.05Å; L256-I259 PolarHBondContact O-N 3.29Å; L256-C260 WeakPolarHBondContact O-CB 3.43Å; L256-C260 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-SG 3.15Å |
| 257 | I | 87.2 | Confident | 78.7 | Confident | 99 Ų | 99 | 85.7 Ų | 85.7 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.1 | -68.6 | 165.6 | 0 | 0 | 0 | 110.6 | V253 C260 C261 | V253-I257 HydrophobicContact CG1-CD1 3.84Å; V253-I257 HydrophobicContact CG1-CG1 4.49Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 2.67Å; I257-C260 PolarHBondContact O-N 3.07Å; I257-C261 WeakPolarHBondContact O-CB 3.44Å; I257-C261 PolarHBondContact O-N 2.94Å; I257-C261 PolarHBondContact O-SG 3.48Å; I257-C261 VanDerWaalsContact O-SG 3.35Å |
| 258 | W | 88.4 | Confident | 77.2 | Confident | 187 Ų | 187 | 88.4 Ų | 88.4 | 71% | 0.708 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 177.5 | 179 | 69.5 | 0 | 0 | 0 | 112.4 | S254 V255 C261 A262 | S254-W258 WeakPolarHBondContact O-CB 3.39Å; S254-W258 PolarHBondContact O-N 3Å; V255-W258 PolarHBondContact O-N 3.14Å; W258-C261 PolarHBondContact O-N 3.41Å; W258-A262 VanDerWaalsContact O-CB 3.27Å; W258-A262 WeakPolarHBondContact O-CB 3.48Å; W258-A262 PolarHBondContact O-N 2.66Å |
| 259 | I | 86 | Confident | 75.3 | Confident | 80 Ų | 80 | 91.7 Ų | 91.7 | 41% | 0.41 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.7 | -69.1 | 168.8 | 0 | 0 | 0 | 110.3 | V255 L256 C261 A262 T263 | V255-I259 HydrophobicContact CG1-CD1 3.75Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CB 3.33Å; V255-I259 VanDerWaalsContact O-CG1 3.28Å; V255-I259 WeakPolarHBondContact O-CG1 3.23Å; V255-I259 PolarHBondContact O-N 3.03Å; L256-I259 PolarHBondContact O-N 3.29Å; I259-C261 PolarHBondContact O-N 3.33Å; I259-A262 PolarHBondContact O-N 3.41Å; I259-T263 HydrophobicContact CG2-CG2 4.26Å; I259-T263 WeakPolarHBondContact O-CG2 3.3Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.08Å; I259-T263 VanDerWaalsContact O-OG1 3.06Å |
| 260 | C | 78.5 | Confident | 73.6 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.2 | -49.5 | 175.5 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | L256 I257 A262 T263 V264 | L256-C260 WeakPolarHBondContact O-CB 3.43Å; L256-C260 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-SG 3.15Å; I257-C260 PolarHBondContact O-N 3.07Å; C260-A262 PolarHBondContact O-N 3.17Å; C260-T263 WeakPolarHBondContact CA-OG1 3.24Å; C260-T263 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-OG1 3.5Å; C260-V264 WeakPolarHBondContact O-CG2 3.18Å; C260-V264 PolarHBondContact O-N 2.96Å |
| 261 | C | 75.9 | Confident | 71.6 | Confident | 81 Ų | 81 | 101 Ų | 101 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.5 | -40 | 176.8 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | I257 W258 I259 V264 A265 | I257-C261 WeakPolarHBondContact O-CB 3.44Å; I257-C261 PolarHBondContact O-N 2.94Å; I257-C261 PolarHBondContact O-SG 3.48Å; I257-C261 VanDerWaalsContact O-SG 3.35Å; W258-C261 PolarHBondContact O-N 3.41Å; I259-C261 PolarHBondContact O-N 3.33Å; C261-V264 PolarHBondContact O-N 3.07Å; C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 3Å |
| 262 | A | 76.7 | Confident | 70 | Confident | 34 Ų | 34 | 100.9 Ų | 100.9 | 28% | 0.281 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | W258 I259 C260 V264 A265 T266 | W258-A262 VanDerWaalsContact O-CB 3.27Å; W258-A262 WeakPolarHBondContact O-CB 3.48Å; W258-A262 PolarHBondContact O-N 2.66Å; I259-A262 PolarHBondContact O-N 3.41Å; C260-A262 PolarHBondContact O-N 3.17Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.86Å; A262-A265 CarbonylContact O-C 3.58Å; A262-A265 PolarHBondContact O-N 3.33Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.48Å; A262-T266 PolarHBondContact O-N 3.19Å; A262-T266 PolarHBondContact O-OG1 3.39Å |
| 263 | T | 73.7 | Confident | 68 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 47% | 0.472 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -27.3 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | I259 C260 A267 | I259-T263 HydrophobicContact CG2-CG2 4.26Å; I259-T263 WeakPolarHBondContact O-CG2 3.3Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.08Å; I259-T263 VanDerWaalsContact O-OG1 3.06Å; C260-T263 WeakPolarHBondContact CA-OG1 3.24Å; C260-T263 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-OG1 3.5Å; T263-A267 WeakPolarHBondContact O-CA 3.37Å; T263-A267 WeakPolarHBondContact O-CB 3.33Å; T263-A267 PolarHBondContact O-N 2.95Å |
| 264 | V | 72.9 | Confident | 65.9 | Low | 116 Ų | 116 | 103.6 Ų | 103.6 | 70% | 0.703 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.7 | -40.7 | 171.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | C260 C261 A262 T266 | C260-V264 WeakPolarHBondContact O-CG2 3.18Å; C260-V264 PolarHBondContact O-N 2.96Å; C261-V264 PolarHBondContact O-N 3.07Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.86Å; V264-T266 VanDerWaalsContact C-N 3.35Å |
| 265 | A | 71.6 | Confident | 64.3 | Low | 86 Ų | 86 | 108 Ų | 108 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.2 | -18.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C261 A262 | C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 3Å; A262-A265 CarbonylContact O-C 3.58Å; A262-A265 PolarHBondContact O-N 3.33Å |
| 266 | T | 62.6 | Low | 62.2 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -116.3 | 5.9 | 175.5 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | A262 V264 V268 | A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.48Å; A262-T266 PolarHBondContact O-N 3.19Å; A262-T266 PolarHBondContact O-OG1 3.39Å; V264-T266 VanDerWaalsContact C-N 3.35Å; T266-V268 PolarHBondContact O-N 2.95Å |
| 267 | A | 46.4 | Very low | 60.9 | Low | 57 Ų | 57 | 116.2 Ų | 116.2 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -60.1 | 109.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | T263 D269 | T263-A267 WeakPolarHBondContact O-CA 3.37Å; T263-A267 WeakPolarHBondContact O-CB 3.33Å; T263-A267 PolarHBondContact O-N 2.95Å; A267-D269 PolarHBondContact O-N 3.12Å; A267-D269 VanDerWaalsContact O-N 3.08Å |
| 268 | V | 46.8 | Very low | 59.1 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | trans | -52 | 121.6 | 164.2 | -178.7 | 0 | 0 | 0 | 0 | 104.9 | T266 Q270 | T266-V268 PolarHBondContact O-N 2.95Å; V268-Q270 PolarHBondContact O-N 3.08Å | ||
| 269 | D | 41.4 | Very low | 57.9 | Low | 143 Ų | 143 | 113.5 Ų | 113.5 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | -56.6 | 93.3 | 176.9 | -88 | -47.9 | 0 | 0 | 0 | 108.1 | A267 Y271 | A267-D269 PolarHBondContact O-N 3.12Å; A267-D269 VanDerWaalsContact O-N 3.08Å; D269-Y271 HydrophobicContact CB-CD2 4.46Å; D269-Y271 PolarHBondContact O-N 2.85Å | ||
| 270 | Q | 46.1 | Very low | 56.4 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | trans | -72.6 | 71.1 | 157.7 | -68.7 | -167.9 | -55.3 | 0 | 0 | 105.6 | V268 V272 | V268-Q270 PolarHBondContact O-N 3.08Å; Q270-V272 HydrophobicContact CB-CG2 4.49Å; Q270-V272 PolarHBondContact O-N 3.09Å | ||
| 271 | Y | 41.6 | Very low | 55.2 | Low | 204 Ų | 204 | 117 Ų | 117 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | trans | -46.3 | 90.1 | 132.1 | -101.1 | -92.2 | 0 | 0 | 0 | 106 | D269 P273 | D269-Y271 HydrophobicContact CB-CD2 4.46Å; D269-Y271 PolarHBondContact O-N 2.85Å; Y271-P273 VanDerWaalsContact C-N 3.27Å; Y271-P273 WeakPolarHBondContact O-CD 3.42Å | ||
| 272 | V | 46.9 | Very low | 54 | Low | 104 Ų | 104 | 120 Ų | 120 | 63% | 0.63 | 67% | 0.666 | S | S | * | * | trans | -74.6 | 93.2 | 144.6 | -179.3 | 0 | 0 | 0 | 0 | 102.4 | Q270 A274 | Q270-V272 HydrophobicContact CB-CG2 4.49Å; Q270-V272 PolarHBondContact O-N 3.09Å; V272-A274 PolarHBondContact O-N 3.04Å | ||
| 273 | P | 44.6 | Very low | 52.9 | Low | 96 Ų | 96 | 125.8 Ų | 125.8 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | trans | -54.2 | 122.6 | 168 | 26.3 | -34.3 | 0 | 0 | 0 | 105.4 | Y271 E275 | Y271-P273 VanDerWaalsContact C-N 3.27Å; Y271-P273 WeakPolarHBondContact O-CD 3.42Å; P273-E275 WeakPolarHBondContact O-CA 3.48Å; P273-E275 PolarHBondContact O-N 3.27Å | ||
| 274 | A | 46.4 | Very low | 51.8 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -47.1 | 110.4 | -170 | 0 | 0 | 0 | 0 | 0 | 109.1 | V272 K276 | V272-A274 PolarHBondContact O-N 3.04Å; A274-K276 PolarHBondContact O-N 2.73Å | ||
| 275 | E | 45.8 | Very low | 50.8 | Low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | -66.3 | 99.6 | -162.8 | -171.1 | 177.8 | 159.6 | 0 | 0 | 107.7 | P273 L277 | P273-E275 WeakPolarHBondContact O-CA 3.48Å; P273-E275 PolarHBondContact O-N 3.27Å; E275-L277 PolarHBondContact O-N 2.93Å | ||
| 276 | K | 44.6 | Very low | 50 | Low | 184 Ų | 184 | 131.9 Ų | 131.9 | 80% | 0.8 | 69% | 0.685 | S | S | * | * | trans | -57.6 | 116.9 | 175.8 | -67.6 | -172.8 | 179.5 | -178.1 | 0 | 105.4 | A274 S278 | A274-K276 PolarHBondContact O-N 2.73Å; K276-S278 VanDerWaalsContact C-N 3.29Å; K276-S278 WeakPolarHBondContact O-CA 3.4Å; K276-S278 PolarHBondContact O-N 3.32Å | ||
| 277 | L | 54.1 | Low | 49.4 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | trans | -46.9 | 96.5 | -179.2 | -81.5 | 114.2 | 0 | 0 | 0 | 109.6 | E275 I279 | E275-L277 PolarHBondContact O-N 2.93Å; L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 3.04Å | ||
| 278 | S | 50.6 | Low | 49.4 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 48% | 0.476 | 71% | 0.706 | S | S | . | * | trans | -86.1 | 89.1 | -169.4 | 59.3 | 0 | 0 | 0 | 0 | 106.3 | K276 Y280 G281 | K276-S278 VanDerWaalsContact C-N 3.29Å; K276-S278 WeakPolarHBondContact O-CA 3.4Å; K276-S278 PolarHBondContact O-N 3.32Å; S278-Y280 PolarHBondContact O-N 3.26Å; S278-G281 PolarHBondContact O-N 2.82Å; S278-G281 WeakPolarHBondContact OG-CA 3.25Å | ||
| 279 | I | 63.1 | Low | 49.4 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -3.5 | 178.1 | -78.4 | 173.7 | 0 | 0 | 0 | 112.7 | L277 | L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 3.04Å |
| 280 | Y | 54.2 | Low | 49.5 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 33.6 | 167.4 | -122.9 | -88.7 | 0 | 0 | 0 | 115.5 | S278 D282 | S278-Y280 PolarHBondContact O-N 3.26Å; Y280-D282 PolarHBondContact O-N 3.22Å |
| 281 | G | 52.3 | Low | 49.6 | Very low | 28 Ų | 28 | 142.1 Ų | 142.1 | 29% | 0.289 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -72.5 | -19.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S278 K283 | S278-G281 PolarHBondContact O-N 2.82Å; S278-G281 WeakPolarHBondContact OG-CA 3.25Å; G281-K283 PolarHBondContact O-N 3.48Å |
| 282 | D | 51.5 | Low | 49.8 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -66.9 | -12.8 | -169.4 | -166.2 | 42.9 | 0 | 0 | 0 | 114.9 | Y280 | Y280-D282 PolarHBondContact O-N 3.22Š|
| 283 | K | 53.3 | Low | 49.8 | Very low | 155 Ų | 155 | 139 Ų | 139 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -92.8 | -26.5 | -173.8 | -170 | 170.9 | 172.1 | -177.3 | 0 | 114.7 | G281 | G281-K283 PolarHBondContact O-N 3.48Š|
| 284 | D | 51.3 | Low | 49.7 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 57% | 0.572 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -22.6 | -174.5 | -67.6 | -44.5 | 0 | 0 | 0 | 112.9 | I286 K287 E288 | D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.2Å; D284-K287 PolarHBondContact O-N 3.01Å; D284-E288 PolarHBondContact O-N 3.34Å |
| 285 | Y | 50.7 | Low | 49.8 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -59 | -35.2 | 175.2 | -162.1 | -96.4 | 0 | 0 | 0 | 113.3 | K287 | Y285-K287 PolarHBondContact O-N 3.24Å |
| 286 | I | 55.1 | Low | 50 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 64% | 0.641 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69 | -24.8 | 178.4 | -58 | 177.5 | 0 | 0 | 0 | 111.6 | D284 | D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.2Å |
| 287 | K | 49.7 | Very low | 50.5 | Low | 171 Ų | 171 | 137.9 Ų | 137.9 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -89.5 | -27.3 | -172.2 | -143.6 | 178.4 | -174.2 | -175.7 | 0 | 113.3 | D284 Y285 | D284-K287 PolarHBondContact O-N 3.01Å; Y285-K287 PolarHBondContact O-N 3.24Å |
| 288 | E | 48 | Very low | 50.2 | Low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86.8 | -8.2 | 173.7 | -60.1 | -157.5 | 163.7 | 0 | 0 | 113.2 | D284 K290 | D284-E288 PolarHBondContact O-N 3.34Å; E288-K290 PolarHBondContact O-N 3.22Å |
| 289 | Q | 46.5 | Very low | 49.9 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | trans | -72.2 | 44.6 | 172.8 | -152.9 | 173.3 | 42.9 | 0 | 0 | 113.4 | L291 | Q289-L291 PolarHBondContact O-N 3.15Š| ||
| 290 | K | 42.9 | Very low | 49.2 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 81% | 0.809 | 70% | 0.704 | S | S | * | * | trans | -71.5 | 72 | 157.7 | -83.6 | -172.8 | 174.4 | 178.8 | 0 | 109.7 | E288 T292 | E288-K290 PolarHBondContact O-N 3.22Å; K290-T292 PolarHBondContact O-N 3.06Å; K290-T292 VanDerWaalsContact O-N 3.11Å | ||
| 291 | L | 48.3 | Very low | 49 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | trans | 15.8 | 84.6 | 151.8 | -67.8 | 150 | 0 | 0 | 0 | 114.3 | Q289 P293 | Q289-L291 PolarHBondContact O-N 3.15Å; L291-P293 WeakPolarHBondContact O-CD 3.46Å | ||
| 292 | T | 45.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 121.9 | 154.3 | 40.7 | 0 | 0 | 0 | 0 | 107.1 | K290 Y294 | K290-T292 PolarHBondContact O-N 3.06Å; K290-T292 VanDerWaalsContact O-N 3.11Å; T292-Y294 PolarHBondContact O-N 3.33Å |
| 293 | P | 47.7 | Very low | 48.4 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.6 | -178.1 | 25.3 | -32.5 | 0 | 0 | 0 | 109.4 | L291 | L291-P293 WeakPolarHBondContact O-CD 3.46Š|
| 294 | Y | 43.1 | Very low | 47.8 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140.6 | 176.4 | -82.3 | -91.3 | 0 | 0 | 0 | 110.8 | T292 A296 | T292-Y294 PolarHBondContact O-N 3.33Å; Y294-A296 PolarHBondContact O-N 3.45Å |
| 295 | P | 47.4 | Very low | 47.5 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.9 | 172.3 | 26.7 | -33.7 | 0 | 0 | 0 | 109.8 | S297 | P295-S297 PolarHBondContact O-N 3.3Š|
| 296 | A | 50.1 | Low | 47.1 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 15.4 | -168 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y294 | Y294-A296 PolarHBondContact O-N 3.45Š|
| 297 | S | 54.4 | Low | 46.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -5.5 | -172.4 | 51.5 | 0 | 0 | 0 | 0 | 115.4 | P295 | P295-S297 PolarHBondContact O-N 3.3Š|
| 298 | S | 48.8 | Very low | 46.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -126.9 | 9.3 | -178.9 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | I300 | S298-I300 PolarHBondContact O-N 3.28Š|
| 299 | L | 44.4 | Very low | 46.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | trans | -89.1 | 91.2 | -174.3 | -149.5 | 164 | 0 | 0 | 0 | 111.4 | I301 | L299-I301 HydrophobicContact CD2-CD1 4.21Å; L299-I301 HydrophobicContact CD2-CG1 3.37Å; L299-I301 PolarHBondContact O-N 2.9Å | ||
| 300 | I | 48.8 | Very low | 46.8 | Very low | 149 Ų | 149 | 139 Ų | 139 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -79.3 | 99 | 173.1 | -58.4 | 176.6 | 0 | 0 | 0 | 109 | S298 I302 | S298-I300 PolarHBondContact O-N 3.28Å; I300-I302 HydrophobicContact CG2-CG1 4.24Å; I300-I302 PolarHBondContact O-N 3.03Å | ||
| 301 | I | 49.1 | Very low | 47.2 | Very low | 125 Ų | 125 | 135 Ų | 135 | 64% | 0.641 | 77% | 0.765 | S | S | * | * | trans | -79.9 | 101.9 | 174.7 | -50.4 | 174.2 | 0 | 0 | 0 | 109.2 | L299 T303 | L299-I301 HydrophobicContact CD2-CD1 4.21Å; L299-I301 HydrophobicContact CD2-CG1 3.37Å; L299-I301 PolarHBondContact O-N 2.9Å; I301-T303 HydrophobicContact CG2-CG2 3.61Å; I301-T303 PolarHBondContact O-N 2.86Å; I301-T303 VanDerWaalsContact O-N 3.1Å | ||
| 302 | I | 48.4 | Very low | 48 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -78.6 | 90.2 | 168.3 | -55.5 | 178.3 | 0 | 0 | 0 | 108.2 | I300 S304 | I300-I302 HydrophobicContact CG2-CG1 4.24Å; I300-I302 PolarHBondContact O-N 3.03Å; I302-S304 PolarHBondContact O-N 3.11Å; I302-S304 VanDerWaalsContact O-N 3.09Å | ||
| 303 | T | 42.9 | Very low | 48.9 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -77 | 90.9 | 172.9 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | I301 K305 | I301-T303 HydrophobicContact CG2-CG2 3.61Å; I301-T303 PolarHBondContact O-N 2.86Å; I301-T303 VanDerWaalsContact O-N 3.1Å; T303-K305 PolarHBondContact O-N 3.04Å; T303-K305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | S | 41.1 | Very low | 49.3 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 106.4 | 165.6 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | I302 G306 | I302-S304 PolarHBondContact O-N 3.11Å; I302-S304 VanDerWaalsContact O-N 3.09Å; S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 2.75Å | ||
| 305 | K | 45.1 | Very low | 50 | Low | 215 Ų | 215 | 129.1 Ų | 129.1 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -82.8 | 71.2 | 177.1 | -166.4 | -179.2 | -178.5 | -179.3 | 0 | 110.5 | T303 | T303-K305 PolarHBondContact O-N 3.04Å; T303-K305 VanDerWaalsContact O-N 3.13Å | ||
| 306 | G | 43.2 | Very low | 50.8 | Low | 49 Ų | 49 | 130 Ų | 130 | 51% | 0.505 | 77% | 0.772 | S | S | . | * | trans | -110.7 | 148.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | S304 | S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 2.75Å | ||
| 307 | P | 43.2 | Very low | 50.8 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 151.3 | 178.5 | 29.4 | -34.6 | 0 | 0 | 0 | 111.9 | E309 | P307-E309 PolarHBondContact O-N 2.69Å; P307-E309 VanDerWaalsContact O-N 3.07Å | ||
| 308 | E | 50 | Low | 51.2 | Low | 199 Ų | 199 | 135.2 Ų | 135.2 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -70.4 | 98 | 178.2 | -62.3 | 179.6 | 166.6 | 0 | 0 | 110.6 | ||||
| 309 | E | 48.4 | Very low | 51 | Low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -100.1 | 113.4 | 160.8 | -72.7 | -169.7 | 154.7 | 0 | 0 | 109 | P307 A311 | P307-E309 PolarHBondContact O-N 2.69Å; P307-E309 VanDerWaalsContact O-N 3.07Å; E309-A311 PolarHBondContact O-N 2.95Å | ||
| 310 | E | 49.5 | Very low | 51.8 | Low | 195 Ų | 195 | 139.1 Ų | 139.1 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124 | 177.6 | -64 | -179.1 | 136.9 | 0 | 0 | 110.4 | G312 | E310-G312 PolarHBondContact O-N 3.11Š|
| 311 | A | 51.7 | Low | 52.1 | Low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E309 | E309-A311 PolarHBondContact O-N 2.95Š|
| 312 | G | 66.7 | Low | 52.6 | Low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 154.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | E310 L314 | E310-G312 PolarHBondContact O-N 3.11Å; G312-L314 PolarHBondContact O-N 2.89Å |
| 313 | P | 62.2 | Low | 52.5 | Low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 137.2 | -172.6 | 24.9 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 314 | L | 56.3 | Low | 52.8 | Low | 163 Ų | 163 | 138.3 Ų | 138.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60 | 142.1 | 178.7 | -73.3 | 92.3 | 0 | 0 | 0 | 111.2 | G312 | G312-L314 PolarHBondContact O-N 2.89Š|
| 315 | P | 57.9 | Low | 53 | Low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.1 | 177.9 | 25.7 | -34.1 | 0 | 0 | 0 | 111.4 | K317 | P315-K317 PolarHBondContact O-N 2.95Š|
| 316 | S | 64.4 | Low | 53.4 | Low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.8 | -178.4 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | V318 | S316-V318 PolarHBondContact O-N 3.14Å; S316-V318 VanDerWaalsContact O-N 3.09Å |
| 317 | K | 49.9 | Very low | 53.9 | Low | 201 Ų | 201 | 145.5 Ų | 145.5 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -60.1 | 114.9 | 177.3 | -74.8 | -173.6 | 175.5 | -177.4 | 0 | 110.5 | P315 | P315-K317 PolarHBondContact O-N 2.95Š| ||
| 318 | V | 63.8 | Low | 54.5 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 76% | 0.758 | 84% | 0.835 | S | S | * | * | trans | -73.3 | 126.5 | 170.8 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | S316 L320 | S316-V318 PolarHBondContact O-N 3.14Å; S316-V318 VanDerWaalsContact O-N 3.09Å; V318-L320 PolarHBondContact O-N 3.42Å | ||
| 319 | N | 43.1 | Very low | 54.8 | Low | 140 Ų | 140 | 143.8 Ų | 143.8 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | trans | -76.8 | 105.5 | 176.5 | -81.7 | -69.2 | 0 | 0 | 0 | 110.4 | G321 Q322 | N319-G321 PolarHBondContact O-N 2.89Å; N319-G321 VanDerWaalsContact O-N 3.09Å; N319-Q322 PolarHBondContact O-N 3.08Å | ||
| 320 | L | 61.1 | Low | 55.2 | Low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | G | 310 helix | trans | -65.4 | -6.4 | 177.9 | -74.5 | 157.1 | 0 | 0 | 0 | 114.4 | V318 Q322 | V318-L320 PolarHBondContact O-N 3.42Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.4Å |
| 321 | G | 56.4 | Low | 55.6 | Low | 83 Ų | 83 | 137.9 Ų | 137.9 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | G | 310 helix | trans | -80.1 | 5.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N319 | N319-G321 PolarHBondContact O-N 2.89Å; N319-G321 VanDerWaalsContact O-N 3.09Å |
| 322 | Q | 58.5 | Low | 55.8 | Low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | G | 310 helix | trans | -136.1 | 23 | -176.3 | -147.8 | 169.5 | 13.8 | 0 | 0 | 114.3 | N319 L320 | N319-Q322 PolarHBondContact O-N 3.08Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.4Å |
| 323 | S | 46.2 | Very low | 55 | Low | 90 Ų | 90 | 146.7 Ų | 146.7 | 63% | 0.629 | 84% | 0.838 | S | S | * | * | trans | -94 | 111.6 | 163.9 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | I325 | S323-I325 PolarHBondContact O-N 3.42Š| ||
| 324 | N | 49.1 | Very low | 54.4 | Low | 171 Ų | 171 | 148.2 Ų | 148.2 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | trans | -82.9 | 106.5 | 170 | -130.1 | -8.1 | 0 | 0 | 0 | 108.2 | ||||
| 325 | I | 46.3 | Very low | 54.3 | Low | 237 Ų | 237 | 146.8 Ų | 146.8 | 100% | 1.215 | 84% | 0.837 | S | S | * | * | trans | -156.1 | 0 | 161.4 | -102.9 | 157.3 | 0 | 0 | 0 | 107.3 | S323 | S323-I325 PolarHBondContact O-N 3.42Š|
Retrieved 325 of 325 residues in 142.8 ms
(Link to these results)