| 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 | 61.1 | Low | 75.6 | Confident | 207 Ų | 207 | 107.6 Ų | 107.6 | 100% | 1.02 | 61% | 0.611 | S | S | * | * | 0 | -45.9 | 0 | -58.1 | -125.9 | -70.4 | 0 | 0 | 112.5 | S3 I4 L5 | M1-S3 PolarHBondContact O-N 3.15Å; M1-I4 PolarHBondContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 3.26Å | |||
| 2 | A | 64.6 | Low | 76.1 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 60% | 0.595 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.3 | -37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L5 L6 | A2-L5 PolarHBondContact O-N 2.91Å; A2-L6 WeakPolarHBondContact O-CD1 3.04Å; A2-L6 PolarHBondContact O-N 2.99Å |
| 3 | S | 72.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | M1 L6 L7 | M1-S3 PolarHBondContact O-N 3.15Å; S3-L6 PolarHBondContact O-N 3.48Å; S3-L7 WeakPolarHBondContact O-CG 3.44Å; S3-L7 PolarHBondContact O-N 3.47Å; S3-L7 VanDerWaalsContact O-N 3.14Å |
| 4 | I | 78.1 | Confident | 76.2 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -41.3 | 177.9 | -64.8 | 170.1 | 0 | 0 | 0 | 110.4 | M1 L6 L7 F8 | M1-I4 PolarHBondContact O-N 3.13Å; I4-L6 VanDerWaalsContact C-N 3.34Å; I4-L6 PolarHBondContact O-N 3.02Å; I4-L7 PolarHBondContact O-N 3.03Å; I4-F8 HydrophobicContact CG2-CD2 3.79Å; I4-F8 HydrophobicContact CG2-CE2 3.42Å; I4-F8 VanDerWaalsContact CG2-CE2 3.42Å; I4-F8 WeakPolarHBondContact O-CD2 3.07Å; I4-F8 PolarHBondContact O-N 3.3Å |
| 5 | L | 74.9 | Confident | 76.3 | Confident | 112 Ų | 112 | 96.1 Ų | 96.1 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 176.7 | -164 | 74.2 | 0 | 0 | 0 | 111.8 | M1 A2 L7 F8 L9 | M1-L5 PolarHBondContact O-N 3.26Å; A2-L5 PolarHBondContact O-N 2.91Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.4Å; L5-F8 PolarHBondContact O-N 3.1Å; L5-L9 HydrophobicContact CG-CD1 4.35Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 3.38Å |
| 6 | L | 77.3 | Confident | 76.2 | Confident | 122 Ų | 122 | 95.4 Ų | 95.4 | 64% | 0.639 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -40.4 | 175.5 | -109.6 | 101.2 | 0 | 0 | 0 | 112.5 | A2 S3 I4 L9 A10 | A2-L6 WeakPolarHBondContact O-CD1 3.04Å; A2-L6 PolarHBondContact O-N 2.99Å; S3-L6 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.34Å; I4-L6 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.44Å |
| 7 | L | 79.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 96.5 Ų | 96.5 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.4 | -41.1 | 178.5 | -69.1 | 172.5 | 0 | 0 | 0 | 111.8 | S3 I4 L5 A10 A11 | S3-L7 WeakPolarHBondContact O-CG 3.44Å; S3-L7 PolarHBondContact O-N 3.47Å; S3-L7 VanDerWaalsContact O-N 3.14Å; I4-L7 PolarHBondContact O-N 3.03Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.4Å; L7-A10 PolarHBondContact O-N 3.03Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.17Å |
| 8 | F | 79.7 | Confident | 75.6 | Confident | 145 Ų | 145 | 96.1 Ų | 96.1 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -38.7 | 175.9 | -75.8 | -63 | 0 | 0 | 0 | 112.7 | I4 L5 A11 S12 | I4-F8 HydrophobicContact CG2-CD2 3.79Å; I4-F8 HydrophobicContact CG2-CE2 3.42Å; I4-F8 VanDerWaalsContact CG2-CE2 3.42Å; I4-F8 WeakPolarHBondContact O-CD2 3.07Å; I4-F8 PolarHBondContact O-N 3.3Å; L5-F8 PolarHBondContact O-N 3.1Å; F8-A11 PolarHBondContact O-N 3.34Å; F8-S12 WeakPolarHBondContact O-CB 3.46Å; F8-S12 PolarHBondContact O-N 3.15Å; F8-S12 PolarHBondContact O-OG 2.83Å |
| 9 | L | 80.1 | Confident | 75 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 176.4 | -69.2 | 171.8 | 0 | 0 | 0 | 112.3 | L5 L6 S12 C13 | L5-L9 HydrophobicContact CG-CD1 4.35Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.48Å; L9-S12 PolarHBondContact O-OG 2.95Å; L9-S12 VanDerWaalsContact O-OG 3.08Å; L9-C13 WeakPolarHBondContact O-CB 3.46Å; L9-C13 PolarHBondContact O-N 3.28Å |
| 10 | A | 81.3 | Confident | 74.4 | Confident | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L6 L7 C13 C14 | L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.44Å; L7-A10 PolarHBondContact O-N 3.03Å; A10-C13 PolarHBondContact O-N 3.37Å; A10-C14 WeakPolarHBondContact O-CB 3.2Å; A10-C14 PolarHBondContact O-N 3.48Å; A10-C14 PolarHBondContact O-SG 2.95Å |
| 11 | A | 82.6 | Confident | 73.4 | Confident | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 F8 C14 A15 | L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.17Å; F8-A11 PolarHBondContact O-N 3.34Å; A11-C14 PolarHBondContact O-N 3.45Å; A11-A15 WeakPolarHBondContact O-CB 3.3Å; A11-A15 PolarHBondContact O-N 3.2Å |
| 12 | S | 80.8 | Confident | 72.8 | Confident | 60 Ų | 60 | 87.1 Ų | 87.1 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 176.6 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | F8 L9 A15 C16 | F8-S12 WeakPolarHBondContact O-CB 3.46Å; F8-S12 PolarHBondContact O-N 3.15Å; F8-S12 PolarHBondContact O-OG 2.83Å; L9-S12 PolarHBondContact O-OG 2.95Å; L9-S12 VanDerWaalsContact O-OG 3.08Å; S12-A15 PolarHBondContact O-N 3.27Å; S12-C16 PolarHBondContact O-N 2.61Å; S12-C16 PolarHBondContact O-SG 3.35Å |
| 13 | C | 77.4 | Confident | 72.2 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 48% | 0.48 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.1 | -170 | 0 | 0 | 0 | 0 | 111.6 | L9 A10 A15 C16 L17 | L9-C13 WeakPolarHBondContact O-CB 3.46Å; L9-C13 PolarHBondContact O-N 3.28Å; A10-C13 PolarHBondContact O-N 3.37Å; C13-A15 PolarHBondContact O-N 3.12Å; C13-C16 PolarHBondContact O-N 2.93Å; C13-L17 WeakPolarHBondContact O-CG 3.22Å; C13-L17 PolarHBondContact O-N 2.98Å |
| 14 | C | 76.2 | Confident | 70.8 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 51% | 0.507 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | A10 A11 C16 L17 C18 | A10-C14 WeakPolarHBondContact O-CB 3.2Å; A10-C14 PolarHBondContact O-N 3.48Å; A10-C14 PolarHBondContact O-SG 2.95Å; A11-C14 PolarHBondContact O-N 3.45Å; C14-C16 PolarHBondContact O-N 3.39Å; C14-L17 PolarHBondContact O-N 3.46Å; C14-C18 PolarHBondContact O-N 3.14Å; C14-C18 PolarHBondContact O-SG 3.38Å |
| 15 | A | 78.6 | Confident | 69 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A11 S12 C13 C18 L19 | A11-A15 WeakPolarHBondContact O-CB 3.3Å; A11-A15 PolarHBondContact O-N 3.2Å; S12-A15 PolarHBondContact O-N 3.27Å; C13-A15 PolarHBondContact O-N 3.12Å; A15-C18 PolarHBondContact O-N 2.84Å; A15-L19 WeakPolarHBondContact O-CB 3.17Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.36Å; A15-L19 PolarHBondContact O-N 3.33Å |
| 16 | C | 73.9 | Confident | 67.3 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 176.2 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | S12 C13 C14 L19 A20 | S12-C16 PolarHBondContact O-N 2.61Å; S12-C16 PolarHBondContact O-SG 3.35Å; C13-C16 PolarHBondContact O-N 2.93Å; C14-C16 PolarHBondContact O-N 3.39Å; C16-L19 PolarHBondContact O-N 2.97Å; C16-A20 WeakPolarHBondContact O-CB 3.3Å; C16-A20 PolarHBondContact O-N 2.77Å |
| 17 | L | 70.6 | Confident | 65.6 | Low | 113 Ų | 113 | 90.4 Ų | 90.4 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -42 | 176.3 | -69.9 | 168.5 | 0 | 0 | 0 | 111.3 | C13 C14 L19 A20 D21 | C13-L17 WeakPolarHBondContact O-CG 3.22Å; C13-L17 PolarHBondContact O-N 2.98Å; C14-L17 PolarHBondContact O-N 3.46Å; L17-L19 PolarHBondContact O-N 3.46Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.04Å |
| 18 | C | 70.9 | Confident | 63.6 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.6 | -35.1 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 113 | C14 A15 G22 | C14-C18 PolarHBondContact O-N 3.14Å; C14-C18 PolarHBondContact O-SG 3.38Å; A15-C18 PolarHBondContact O-N 2.84Å; C18-G22 PolarHBondContact O-N 3.27Å |
| 19 | L | 65 | Low | 61.6 | Low | 122 Ų | 122 | 94.1 Ų | 94.1 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.2 | -40.4 | 175.8 | -71.1 | 169.9 | 0 | 0 | 0 | 111.6 | A15 C16 L17 D21 G22 D23 | A15-L19 WeakPolarHBondContact O-CB 3.17Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.36Å; A15-L19 PolarHBondContact O-N 3.33Å; C16-L19 PolarHBondContact O-N 2.97Å; L17-L19 PolarHBondContact O-N 3.46Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 2.99Å; L19-G22 PolarHBondContact O-N 3.41Å; L19-D23 PolarHBondContact O-N 2.79Å |
| 20 | A | 62.3 | Low | 59.5 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -33.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | C16 L17 | C16-A20 WeakPolarHBondContact O-CB 3.3Å; C16-A20 PolarHBondContact O-N 2.77Å; L17-A20 PolarHBondContact O-N 2.84Å |
| 21 | D | 53.4 | Low | 57.3 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -77.8 | -36.1 | 175.5 | -153.6 | -83.7 | 0 | 0 | 0 | 111.6 | L17 L19 D23 T24 S25 | L17-D21 WeakPolarHBondContact O-CB 3.35Å; L17-D21 PolarHBondContact O-N 3.04Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-D21 PolarHBondContact O-N 2.99Å; D21-D23 VanDerWaalsContact C-N 3.33Å; D21-D23 PolarHBondContact O-N 3.48Å; D21-T24 PolarHBondContact O-N 3.29Å; D21-T24 PolarHBondContact O-OG1 2.95Å; D21-S25 PolarHBondContact O-N 3.11Å |
| 22 | G | 49.3 | Very low | 55.2 | Low | 21 Ų | 21 | 102.5 Ų | 102.5 | 22% | 0.216 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -60.9 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C18 L19 T24 L26 | C18-G22 PolarHBondContact O-N 3.27Å; L19-G22 PolarHBondContact O-N 3.41Å; G22-T24 VanDerWaalsContact C-N 3.27Å; G22-T24 PolarHBondContact O-N 3.07Å; G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.49Å; G22-L26 PolarHBondContact O-N 3.03Å |
| 23 | D | 50.9 | Low | 53.5 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 66% | 0.663 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -21.6 | 175.6 | -72 | -31.4 | 0 | 0 | 0 | 112.7 | L19 D21 | L19-D23 PolarHBondContact O-N 2.79Å; D21-D23 VanDerWaalsContact C-N 3.33Å; D21-D23 PolarHBondContact O-N 3.48Å |
| 24 | T | 42.9 | Very low | 51.9 | Low | 100 Ų | 100 | 110.1 Ų | 110.1 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -95.4 | -25 | 175.9 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | D21 G22 | D21-T24 PolarHBondContact O-N 3.29Å; D21-T24 PolarHBondContact O-OG1 2.95Å; G22-T24 VanDerWaalsContact C-N 3.27Å; G22-T24 PolarHBondContact O-N 3.07Å |
| 25 | S | 40.7 | Very low | 50.5 | Low | 64 Ų | 64 | 113.5 Ų | 113.5 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -90.3 | -32.4 | 178.1 | -85.2 | 0 | 0 | 0 | 0 | 113.5 | D21 F28 E29 | D21-S25 PolarHBondContact O-N 3.11Å; S25-F28 PolarHBondContact O-N 3.46Å; S25-E29 PolarHBondContact O-N 3.08Å |
| 26 | L | 40.4 | Very low | 49.1 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 60% | 0.597 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.7 | -18.1 | -177.5 | -77.5 | 166.3 | 0 | 0 | 0 | 114.8 | G22 F28 T30 | G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.49Å; G22-L26 PolarHBondContact O-N 3.03Å; L26-F28 VanDerWaalsContact C-N 3.35Å; L26-T30 PolarHBondContact O-OG1 3.38Å |
| 27 | E | 41 | Very low | 48.2 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -79.4 | -19 | 171.9 | -66.9 | -145.7 | 122.4 | 0 | 0 | 112.8 | ||
| 28 | F | 36.9 | Very low | 47.2 | Very low | 184 Ų | 184 | 119.1 Ų | 119.1 | 81% | 0.807 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.1 | -31.4 | 177.7 | -165.5 | -103.9 | 0 | 0 | 0 | 112.8 | S25 L26 | S25-F28 PolarHBondContact O-N 3.46Å; L26-F28 VanDerWaalsContact C-N 3.35Å |
| 29 | E | 37.8 | Very low | 47 | Very low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -94.7 | -4 | -172 | -156.3 | 161.4 | 114.5 | 0 | 0 | 114.9 | S25 | S25-E29 PolarHBondContact O-N 3.08Å |
| 30 | T | 35.7 | Very low | 47.2 | Very low | 84 Ų | 84 | 117.5 Ų | 117.5 | 52% | 0.515 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -95 | -7.3 | 178 | 45.3 | 0 | 0 | 0 | 0 | 114.7 | L26 | L26-T30 PolarHBondContact O-OG1 3.38Š|
| 31 | R | 36.3 | Very low | 47.6 | Very low | 218 Ų | 218 | 121.3 Ų | 121.3 | 82% | 0.823 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 4.7 | 174.1 | -73.8 | -170.7 | -174.5 | 167.3 | 5.1 | 114.9 | L33 | R31-L33 PolarHBondContact O-N 3.33Š|
| 32 | A | 39.1 | Very low | 48.6 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 5.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | E34 | A32-E34 PolarHBondContact O-N 2.91Å; A32-E34 VanDerWaalsContact O-N 3.14Å |
| 33 | L | 44.3 | Very low | 50.1 | Low | 128 Ų | 128 | 125.3 Ų | 125.3 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -72 | 103.4 | 171.4 | -76.6 | 171.8 | 0 | 0 | 0 | 110.2 | R31 | R31-L33 PolarHBondContact O-N 3.33Š|
| 34 | E | 44.8 | Very low | 51.5 | Low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | 49.7 | 94.7 | 146.4 | -58.3 | -173.7 | 160.2 | 0 | 0 | 116.7 | A32 P36 | A32-E34 PolarHBondContact O-N 2.91Å; A32-E34 VanDerWaalsContact O-N 3.14Å; E34-P36 VanDerWaalsContact O-CD 3.22Å; E34-P36 WeakPolarHBondContact O-CD 3.31Å | ||
| 35 | F | 46 | Very low | 53.6 | Low | 146 Ų | 146 | 123.2 Ų | 123.2 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | trans | -104.1 | 90.1 | 155.9 | -76.3 | -83.5 | 0 | 0 | 0 | 109.3 | H37 | F35-H37 PolarHBondContact O-N 3.06Š| ||
| 36 | P | 49.5 | Very low | 55.9 | Low | 119 Ų | 119 | 123 Ų | 123 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | trans | -70.9 | 117.9 | 165.8 | 30.4 | -28 | 0 | 0 | 0 | 107.3 | E34 | E34-P36 VanDerWaalsContact O-CD 3.22Å; E34-P36 WeakPolarHBondContact O-CD 3.31Å | ||
| 37 | H | 53.8 | Low | 58.1 | Low | 184 Ų | 184 | 123.9 Ų | 123.9 | 85% | 0.852 | 61% | 0.609 | S | S | * | * | trans | 66.6 | 63.9 | 163.2 | -130.4 | -69.8 | 0 | 0 | 0 | 116.6 | F35 S39 | F35-H37 PolarHBondContact O-N 3.06Å; H37-S39 PolarHBondContact O-N 3.42Å | ||
| 38 | K | 49.3 | Very low | 60.3 | Low | 64 Ų | 64 | 118.6 Ų | 118.6 | 28% | 0.278 | 59% | 0.594 | S | S | . | * | trans | -53.8 | 119.6 | 161.3 | -102.7 | 166.9 | 177.5 | 157.7 | 0 | 110.1 | E42 K43 I46 | K38-E42 WeakPolarHBondContact CA-OE2 3.49Å; K38-E42 HydrophobicContact CB-CB 4.29Å; K38-E42 HydrophobicContact CD-CB 4.45Å; K38-E42 HydrophobicContact CG-CB 3.79Å; K38-E42 WeakPolarHBondContact CG-OE2 3.34Å; K38-K43 HydrophobicContact CB-CG 4.15Å; K38-I46 HydrophobicContact CD-CD1 3.77Å | ||
| 39 | S | 67.1 | Low | 62.9 | Low | 53 Ų | 53 | 114.9 Ų | 114.9 | 37% | 0.371 | 58% | 0.582 | S | S | . | * | trans | -57.1 | 153.6 | 168.8 | 64 | 0 | 0 | 0 | 0 | 109.1 | H37 E41 E42 K43 | H37-S39 PolarHBondContact O-N 3.42Å; S39-E41 PolarHBondContact O-N 3.18Å; S39-E41 VanDerWaalsContact O-N 3.15Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.01Å; S39-K43 PolarHBondContact O-N 3.29Å | ||
| 40 | Q | 69.9 | Low | 65.2 | Low | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -53.2 | -37.5 | 179.7 | -177.5 | 60.2 | 39.4 | 0 | 0 | 111.2 | E42 K43 D44 | Q40-E42 PolarHBondContact O-N 3.39Å; Q40-K43 WeakPolarHBondContact O-CB 3.44Å; Q40-K43 PolarHBondContact O-N 2.94Å; Q40-K43 VanDerWaalsContact O-N 3.15Å; Q40-D44 PolarHBondContact NE2-OD1 3.41Å; Q40-D44 VanDerWaalsContact O-CG 3.25Å; Q40-D44 PolarHBondContact O-N 3.02Å; Q40-D44 VanDerWaalsContact O-N 3.1Å |
| 41 | E | 71.1 | Confident | 67.6 | Low | 141 Ų | 141 | 114.1 Ų | 114.1 | 66% | 0.659 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -42.9 | 177.2 | -166.6 | 172.8 | -173.5 | 0 | 0 | 112.8 | S39 K43 D44 L45 | S39-E41 PolarHBondContact O-N 3.18Å; S39-E41 VanDerWaalsContact O-N 3.15Å; E41-K43 VanDerWaalsContact C-N 3.28Å; E41-K43 PolarHBondContact O-N 2.91Å; E41-D44 PolarHBondContact O-N 3.47Å; E41-L45 HydrophobicContact CG-CD1 3.96Å; E41-L45 WeakPolarHBondContact O-CD1 3.3Å; E41-L45 PolarHBondContact O-N 3.01Å |
| 42 | E | 74.4 | Confident | 70.1 | Confident | 92 Ų | 92 | 107.6 Ų | 107.6 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.3 | -28.2 | 177.8 | -72 | 177.2 | 171.6 | 0 | 0 | 112.9 | K38 S39 Q40 I46 | K38-E42 WeakPolarHBondContact CA-OE2 3.49Å; K38-E42 HydrophobicContact CB-CB 4.29Å; K38-E42 HydrophobicContact CD-CB 4.45Å; K38-E42 HydrophobicContact CG-CB 3.79Å; K38-E42 WeakPolarHBondContact CG-OE2 3.34Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.01Å; Q40-E42 PolarHBondContact O-N 3.39Å; E42-I46 VanDerWaalsContact O-CD1 3.3Å; E42-I46 WeakPolarHBondContact O-CD1 3.37Å; E42-I46 WeakPolarHBondContact O-CG1 3.25Å; E42-I46 PolarHBondContact O-N 2.96Å |
| 43 | K | 80.3 | Confident | 72.2 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.8 | -44.7 | 174.7 | -64.5 | -179.6 | -179.2 | 176.3 | 0 | 111 | K38 S39 Q40 E41 L45 I46 E47 | K38-K43 HydrophobicContact CB-CG 4.15Å; S39-K43 PolarHBondContact O-N 3.29Å; Q40-K43 WeakPolarHBondContact O-CB 3.44Å; Q40-K43 PolarHBondContact O-N 2.94Å; Q40-K43 VanDerWaalsContact O-N 3.15Å; E41-K43 VanDerWaalsContact C-N 3.28Å; E41-K43 PolarHBondContact O-N 2.91Å; K43-L45 VanDerWaalsContact C-N 3.29Å; K43-L45 PolarHBondContact O-N 3.5Å; K43-I46 PolarHBondContact O-N 3.37Å; K43-I46 VanDerWaalsContact O-N 3.13Å; K43-E47 PolarHBondContact O-N 3.35Å |
| 44 | D | 80.5 | Confident | 74 | Confident | 78 Ų | 78 | 107 Ų | 107 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 179.1 | -58.7 | -15.8 | 0 | 0 | 0 | 110.8 | Q40 E41 E47 A48 | Q40-D44 PolarHBondContact NE2-OD1 3.41Å; Q40-D44 VanDerWaalsContact O-CG 3.25Å; Q40-D44 PolarHBondContact O-N 3.02Å; Q40-D44 VanDerWaalsContact O-N 3.1Å; E41-D44 PolarHBondContact O-N 3.47Å; D44-E47 PolarHBondContact O-N 2.94Å; D44-A48 WeakPolarHBondContact O-CB 3.5Å; D44-A48 PolarHBondContact O-N 3.36Å |
| 45 | L | 86.6 | Confident | 75.6 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 173.5 | -92.2 | 93.6 | 0 | 0 | 0 | 113 | E41 K43 A48 L49 | E41-L45 HydrophobicContact CG-CD1 3.96Å; E41-L45 WeakPolarHBondContact O-CD1 3.3Å; E41-L45 PolarHBondContact O-N 3.01Å; K43-L45 VanDerWaalsContact C-N 3.29Å; K43-L45 PolarHBondContact O-N 3.5Å; L45-A48 PolarHBondContact O-N 3.47Å; L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.97Å |
| 46 | I | 89 | Confident | 76.8 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 179.7 | -70.7 | 166 | 0 | 0 | 0 | 110.9 | K38 E42 K43 L49 Q50 | K38-I46 HydrophobicContact CD-CD1 3.77Å; E42-I46 VanDerWaalsContact O-CD1 3.3Å; E42-I46 WeakPolarHBondContact O-CD1 3.37Å; E42-I46 WeakPolarHBondContact O-CG1 3.25Å; E42-I46 PolarHBondContact O-N 2.96Å; K43-I46 PolarHBondContact O-N 3.37Å; K43-I46 VanDerWaalsContact O-N 3.13Å; I46-L49 PolarHBondContact O-N 3Å; I46-Q50 WeakPolarHBondContact O-CG 3.24Å; I46-Q50 PolarHBondContact O-N 3.3Å |
| 47 | E | 87.3 | Confident | 77.7 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 176 | -173.8 | 169.1 | -167.5 | 0 | 0 | 111.2 | K43 D44 L49 Q50 E51 | K43-E47 PolarHBondContact O-N 3.35Å; D44-E47 PolarHBondContact O-N 2.94Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.28Å; E47-Q50 PolarHBondContact O-N 2.95Å; E47-E51 PolarHBondContact O-N 3.49Å |
| 48 | A | 87.1 | Confident | 78 | Confident | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D44 L45 E51 V52 | D44-A48 WeakPolarHBondContact O-CB 3.5Å; D44-A48 PolarHBondContact O-N 3.36Å; L45-A48 PolarHBondContact O-N 3.47Å; A48-E51 PolarHBondContact O-N 3.3Å; A48-V52 WeakPolarHBondContact O-CG2 3.45Å; A48-V52 PolarHBondContact O-N 3.41Å; A48-V52 VanDerWaalsContact O-N 3.12Å |
| 49 | L | 90.4 | Very high | 78.6 | Confident | 107 Ų | 107 | 104.6 Ų | 104.6 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.1 | -85.8 | 160.6 | 0 | 0 | 0 | 112.1 | L45 I46 E47 V52 L53 | L45-L49 WeakPolarHBondContact O-CB 3.42Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 2.97Å; I46-L49 PolarHBondContact O-N 3Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 3.28Å; L49-V52 PolarHBondContact O-N 3.06Å; L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.08Å; L49-L53 PolarHBondContact O-N 2.81Å |
| 50 | Q | 87.6 | Confident | 78.1 | Confident | 120 Ų | 120 | 107.8 Ų | 107.8 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 177.1 | -77.4 | 175.9 | -17.9 | 0 | 0 | 111.9 | I46 E47 V52 L53 E54 | I46-Q50 WeakPolarHBondContact O-CG 3.24Å; I46-Q50 PolarHBondContact O-N 3.3Å; E47-Q50 PolarHBondContact O-N 2.95Å; Q50-V52 PolarHBondContact O-N 2.88Å; Q50-L53 PolarHBondContact O-N 3.2Å; Q50-E54 PolarHBondContact O-N 3.19Å |
| 51 | E | 86.3 | Confident | 77.6 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.2 | -169.9 | -171.4 | 168.2 | 0 | 0 | 111.7 | E47 A48 E54 K55 | E47-E51 PolarHBondContact O-N 3.49Å; A48-E51 PolarHBondContact O-N 3.3Å; E51-E54 PolarHBondContact O-N 3.21Å; E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 2.99Å; E51-K55 WeakPolarHBondContact OE1-CE 3.37Å; E51-K55 IonicContact OE1-NZ 2.61Å; E51-K55 PolarHBondContact OE1-NZ 3.26Å |
| 52 | V | 88.8 | Confident | 76.8 | Confident | 81 Ų | 81 | 106.9 Ų | 106.9 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A48 L49 Q50 K55 L56 | A48-V52 WeakPolarHBondContact O-CG2 3.45Å; A48-V52 PolarHBondContact O-N 3.41Å; A48-V52 VanDerWaalsContact O-N 3.12Å; L49-V52 PolarHBondContact O-N 3.06Å; Q50-V52 PolarHBondContact O-N 2.88Å; V52-K55 PolarHBondContact O-N 3.39Å; V52-L56 HydrophobicContact CG1-CD1 3.84Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.92Å |
| 53 | L | 83 | Confident | 76 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -43.4 | 176.7 | -75.8 | 168.3 | 0 | 0 | 0 | 112.1 | L49 Q50 L56 K57 | L49-L53 WeakPolarHBondContact O-CB 3.29Å; L49-L53 VanDerWaalsContact O-CG 3.31Å; L49-L53 WeakPolarHBondContact O-CG 3.08Å; L49-L53 PolarHBondContact O-N 2.81Å; Q50-L53 PolarHBondContact O-N 3.2Å; L53-L56 PolarHBondContact O-N 2.92Å; L53-K57 VanDerWaalsContact O-CB 3.24Å; L53-K57 WeakPolarHBondContact O-CB 3.38Å; L53-K57 PolarHBondContact O-N 3.08Å |
| 54 | E | 82 | Confident | 74.8 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -38.3 | 175.7 | -78.1 | -64.6 | 147.8 | 0 | 0 | 112 | Q50 E51 L56 K57 N58 | Q50-E54 PolarHBondContact O-N 3.19Å; E51-E54 PolarHBondContact O-N 3.21Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.49Å; E54-K57 PolarHBondContact O-N 3.26Å; E54-K57 IonicContact OE1-NZ 2.94Å; E54-K57 PolarHBondContact OE1-NZ 3.38Å; E54-K57 IonicContact OE2-NZ 3.29Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å; E54-N58 PolarHBondContact O-N 3.47Å; E54-N58 VanDerWaalsContact O-N 3.07Å |
| 55 | K | 77.6 | Confident | 73.6 | Confident | 117 Ų | 117 | 113.3 Ų | 113.3 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.5 | -35.5 | 172.7 | -74.9 | 180 | -176 | 170.4 | 0 | 112.7 | E51 V52 K59 | E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 2.99Å; E51-K55 WeakPolarHBondContact OE1-CE 3.37Å; E51-K55 IonicContact OE1-NZ 2.61Å; E51-K55 PolarHBondContact OE1-NZ 3.26Å; V52-K55 PolarHBondContact O-N 3.39Å; K55-K59 VanDerWaalsContact O-CG 3.32Å; K55-K59 WeakPolarHBondContact O-CG 3.19Å; K55-K59 PolarHBondContact O-N 2.98Å |
| 56 | L | 71.1 | Confident | 72.3 | Confident | 101 Ų | 101 | 117.8 Ų | 117.8 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.7 | -35 | 175.8 | -75.9 | 173.5 | 0 | 0 | 0 | 112.4 | V52 L53 E54 K59 Q60 | V52-L56 HydrophobicContact CG1-CD1 3.84Å; V52-L56 HydrophobicContact CG1-CG 4.27Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.92Å; L53-L56 PolarHBondContact O-N 2.92Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.49Å; L56-K59 CarbonylContact O-C 3.36Å; L56-K59 VanDerWaalsContact O-CA 3.3Å; L56-K59 WeakPolarHBondContact O-CA 3.38Å; L56-K59 WeakPolarHBondContact O-CB 3.35Å; L56-K59 PolarHBondContact O-N 2.94Å; L56-Q60 WeakPolarHBondContact O-CA 3.44Å; L56-Q60 PolarHBondContact O-N 2.93Å |
| 57 | K | 68.1 | Low | 70.8 | Confident | 111 Ų | 111 | 121 Ų | 121 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.1 | -41.5 | 174.3 | 178.2 | 179.2 | 156.5 | -158.5 | 0 | 111.8 | L53 E54 K59 Q60 | L53-K57 VanDerWaalsContact O-CB 3.24Å; L53-K57 WeakPolarHBondContact O-CB 3.38Å; L53-K57 PolarHBondContact O-N 3.08Å; E54-K57 PolarHBondContact O-N 3.26Å; E54-K57 IonicContact OE1-NZ 2.94Å; E54-K57 PolarHBondContact OE1-NZ 3.38Å; E54-K57 IonicContact OE2-NZ 3.29Å; E54-K57 PolarHBondContact OE2-NZ 3.03Å; K57-K59 PolarHBondContact O-N 3.47Å; K57-Q60 WeakPolarHBondContact O-CB 3.29Å; K57-Q60 PolarHBondContact O-N 3.35Å |
| 58 | N | 61.6 | Low | 69.1 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -16 | 171.1 | -74.9 | -25.5 | 0 | 0 | 0 | 113.4 | E54 | E54-N58 PolarHBondContact O-N 3.47Å; E54-N58 VanDerWaalsContact O-N 3.07Å |
| 59 | K | 61.8 | Low | 68.2 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 10.1 | 171.8 | -67.7 | 173.1 | -178.3 | -75 | 0 | 112.3 | K55 L56 K57 M61 | K55-K59 VanDerWaalsContact O-CG 3.32Å; K55-K59 WeakPolarHBondContact O-CG 3.19Å; K55-K59 PolarHBondContact O-N 2.98Å; L56-K59 CarbonylContact O-C 3.36Å; L56-K59 VanDerWaalsContact O-CA 3.3Å; L56-K59 WeakPolarHBondContact O-CA 3.38Å; L56-K59 WeakPolarHBondContact O-CB 3.35Å; L56-K59 PolarHBondContact O-N 2.94Å; K57-K59 PolarHBondContact O-N 3.47Å; K59-M61 PolarHBondContact O-N 3.17Å |
| 60 | Q | 55.6 | Low | 67.5 | Low | 120 Ų | 120 | 127 Ų | 127 | 56% | 0.561 | 64% | 0.638 | S | S | * | * | trans | -63.4 | 98.6 | -169.5 | -169.7 | 160.8 | 22.3 | 0 | 0 | 109.2 | L56 K57 | L56-Q60 WeakPolarHBondContact O-CA 3.44Å; L56-Q60 PolarHBondContact O-N 2.93Å; K57-Q60 WeakPolarHBondContact O-CB 3.29Å; K57-Q60 PolarHBondContact O-N 3.35Å | ||
| 61 | M | 58.8 | Low | 67.3 | Low | 161 Ų | 161 | 124.1 Ų | 124.1 | 79% | 0.793 | 63% | 0.626 | S | S | * | * | trans | -54.7 | 140.2 | 162.1 | -100.4 | -177.9 | -89.4 | 0 | 0 | 107.7 | K59 L63 | K59-M61 PolarHBondContact O-N 3.17Å; M61-L63 PolarHBondContact O-N 3.22Å | ||
| 62 | P | 54.6 | Low | 67.5 | Low | 87 Ų | 87 | 122.2 Ų | 122.2 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | trans | -55.3 | 119.5 | -179.4 | 21.2 | -30 | 0 | 0 | 0 | 109 | S64 | P62-S64 PolarHBondContact O-N 2.02Å; P62-S64 VanDerWaalsContact O-N 3.08Å | ||
| 63 | L | 57.6 | Low | 67.6 | Low | 148 Ų | 148 | 123.4 Ų | 123.4 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -72 | 0.5 | -170.4 | -147.1 | 135.2 | 0 | 0 | 0 | 112.9 | M61 E65 | M61-L63 PolarHBondContact O-N 3.22Å; L63-E65 PolarHBondContact O-N 1.99Å |
| 64 | S | 55.6 | Low | 68.2 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -96.2 | 92.4 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | P62 | P62-S64 PolarHBondContact O-N 2.02Å; P62-S64 VanDerWaalsContact O-N 3.08Å |
| 65 | E | 55.5 | Low | 68.8 | Low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -4.8 | 122.3 | 159.9 | -59.3 | -178.6 | 138.5 | 0 | 0 | 116.3 | L63 | L63-E65 PolarHBondContact O-N 1.99Š|
| 66 | K | 60.1 | Low | 69.5 | Low | 195 Ų | 195 | 117.5 Ų | 117.5 | 85% | 0.848 | 62% | 0.624 | S | S | * | * | trans | 76.1 | 96.6 | 165.5 | -51.3 | 172.9 | -173 | 174 | 0 | 116 | ||||
| 67 | K | 55.7 | Low | 70.5 | Confident | 130 Ų | 130 | 114.3 Ų | 114.3 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | trans | -131.5 | 73 | 151.9 | -81.8 | -178.5 | 166.8 | -155.3 | 0 | 112.2 | G69 W70 | K67-G69 PolarHBondContact O-N 2.85Å; K67-G69 VanDerWaalsContact O-N 3.11Å; K67-W70 HydrophobicContact CB-CB 3.66Å; K67-W70 HydrophobicContact CD-CB 3.58Å; K67-W70 HydrophobicContact CD-CG 3.68Å; K67-W70 HydrophobicContact CG-CB 4.24Å; K67-W70 PolarHBondContact O-N 2.76Å | ||
| 68 | L | 53.1 | Low | 71.9 | Confident | 189 Ų | 189 | 113.4 Ų | 113.4 | 99% | 0.99 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 112.5 | 138.2 | -107.4 | 91.1 | 0 | 0 | 0 | 105.7 | ||
| 69 | G | 66.8 | Low | 73.5 | Confident | 66 Ų | 66 | 111.7 Ų | 111.7 | 68% | 0.68 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.8 | 29.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K67 L71 | K67-G69 PolarHBondContact O-N 2.85Å; K67-G69 VanDerWaalsContact O-N 3.11Å; G69-L71 PolarHBondContact O-N 2.9Å |
| 70 | W | 75.7 | Confident | 75.2 | Confident | 160 Ų | 160 | 104.1 Ų | 104.1 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | trans | -64.3 | 118.1 | 161.4 | -170.6 | 102.9 | 0 | 0 | 0 | 108 | K67 | K67-W70 HydrophobicContact CB-CB 3.66Å; K67-W70 HydrophobicContact CD-CB 3.58Å; K67-W70 HydrophobicContact CD-CG 3.68Å; K67-W70 HydrophobicContact CG-CB 4.24Å; K67-W70 PolarHBondContact O-N 2.76Å | ||
| 71 | L | 84.4 | Confident | 77.1 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 31% | 0.309 | 54% | 0.541 | S | S | . | . | trans | -119.1 | 147.3 | 173.2 | -67.4 | 172.6 | 0 | 0 | 0 | 108.8 | G69 T90 | G69-L71 PolarHBondContact O-N 2.9Å; L71-T90 WeakPolarHBondContact CD1-OG1 3.38Å | ||
| 72 | P | 90.1 | Very high | 78.9 | Confident | 67 Ų | 67 | 93.6 Ų | 93.6 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 160.8 | 170.5 | 28.4 | -35.5 | 0 | 0 | 0 | 110.4 | L91 C92 G93 | P72-L91 WeakPolarHBondContact CD-O 3.38Å; P72-C92 HydrophobicContact CG-CB 4.26Å; P72-C92 CarbonylContact O-C 3.47Å; P72-C92 WeakPolarHBondContact O-CA 3.41Å; P72-C92 WeakPolarHBondContact O-CB 3.49Å; P72-G93 PolarHBondContact O-N 3.47Å |
| 73 | S | 91.8 | Very high | 80.8 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | B | Isolated β-bridge | trans | -81.7 | 144.1 | 172.3 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | G93 | S73-G93 WeakPolarHBondContact CA-O 3.33Å |
| 74 | C | 95.5 | Very high | 82.6 | Confident | 14 Ų | 14 | 99 Ų | 99 | 10% | 0.095 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 166.5 | 166.7 | -88.3 | 0 | 0 | 0 | 0 | 111.5 | E78 C92 G93 P95 | C74-E78 HydrophobicContact CB-CB 4.2Å; C74-C92 HydrophobicContact CB-CB 3.84Å; C74-C92 WeakPolarHBondContact CB-SG 3.26Å; C74-C92 WeakPolarHBondContact SG-CB 3.41Å; C74-C92 CovalentContact SG-SG 1.99Å; C74-C92 PolarHBondContact SG-SG 2.7Å; C74-G93 PolarHBondContact N-O 3.44Å; C74-P95 WeakPolarHBondContact O-CD 3.13Å |
| 75 | D | 93.8 | Very high | 84.3 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 164.2 | 165.1 | -64.8 | -35.8 | 0 | 0 | 0 | 111.9 | G77 E78 | D75-G77 PolarHBondContact O-N 3.46Å; D75-E78 HydrophobicContact CB-CG 3.87Å; D75-E78 PolarHBondContact N-OE2 3.48Å; D75-E78 WeakPolarHBondContact O-CB 3.33Å; D75-E78 PolarHBondContact O-N 3.28Å |
| 76 | A | 92.9 | Very high | 86.1 | Confident | 73 Ų | 73 | 93.8 Ų | 93.8 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 131.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E78 T98 | A76-E78 VanDerWaalsContact C-N 3.29Å; A76-E78 PolarHBondContact O-N 3.14Å; A76-T98 HydrophobicContact CB-CG2 4.4Å |
| 77 | G | 92.5 | Very high | 87.8 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -4.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D75 K106 C107 | D75-G77 PolarHBondContact O-N 3.46Å; G77-K106 WeakPolarHBondContact O-CD 3.48Å; G77-C107 WeakPolarHBondContact CA-O 3.47Å; G77-C107 PolarHBondContact N-O 3.23Å |
| 78 | E | 95.6 | Very high | 89.6 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -76.4 | 162.1 | 174.6 | -70.4 | -165 | 139.1 | 0 | 0 | 113 | C74 D75 A76 C80 K106 C107 | C74-E78 HydrophobicContact CB-CB 4.2Å; D75-E78 HydrophobicContact CB-CG 3.87Å; D75-E78 PolarHBondContact N-OE2 3.48Å; D75-E78 WeakPolarHBondContact O-CB 3.33Å; D75-E78 PolarHBondContact O-N 3.28Å; A76-E78 VanDerWaalsContact C-N 3.29Å; A76-E78 PolarHBondContact O-N 3.14Å; E78-C80 PolarHBondContact O-N 3.33Å; E78-K106 CarbonylContact O-C 3.57Å; E78-K106 WeakPolarHBondContact O-CA 3.47Å; E78-C107 PolarHBondContact O-N 3.45Å |
| 79 | Q | 96.3 | Very high | 91.6 | Very high | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 113.4 | -179.9 | -174.3 | 173.1 | 15.4 | 0 | 0 | 111.1 | A81 L91 L105 | Q79-A81 WeakPolarHBondContact CG-O 3.41Å; Q79-A81 PolarHBondContact NE2-O 3.06Å; Q79-L91 HydrophobicContact CG-CD1 4.47Å; Q79-L105 CarbonylContact C-O 3.48Å; Q79-L105 VanDerWaalsContact CA-O 3.26Å; Q79-L105 WeakPolarHBondContact CA-O 3.02Å; Q79-L105 WeakPolarHBondContact CG-O 3.43Å |
| 80 | C | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -100.3 | -16.4 | -174.9 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | E78 L91 C92 C100 L105 K106 C107 | E78-C80 PolarHBondContact O-N 3.33Å; C80-L91 PolarHBondContact O-N 2.9Å; C80-C92 VanDerWaalsContact CA-SG 3.53Å; C80-C100 HydrophobicContact CB-CB 3.78Å; C80-C100 WeakPolarHBondContact CB-SG 3.11Å; C80-C100 WeakPolarHBondContact SG-CA 3.44Å; C80-C100 WeakPolarHBondContact SG-CB 3.38Å; C80-C100 CovalentContact SG-SG 2.02Å; C80-C100 PolarHBondContact SG-SG 2.94Å; C80-L105 PolarHBondContact N-O 2.9Å; C80-K106 PolarHBondContact SG-O 3.34Å; C80-C107 VanDerWaalsContact CB-SG 3.58Å | ||
| 81 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q79 V88 G89 F102 L105 | Q79-A81 WeakPolarHBondContact CG-O 3.41Å; Q79-A81 PolarHBondContact NE2-O 3.06Å; A81-V88 HydrophobicContact CB-CG1 3.97Å; A81-G89 CarbonylContact C-O 3.09Å; A81-G89 WeakPolarHBondContact CA-O 3.11Å; A81-G89 WeakPolarHBondContact CB-O 2.99Å; A81-F102 HydrophobicContact CB-CD1 3.84Å; A81-F102 HydrophobicContact CB-CE1 3.91Å; A81-L105 HydrophobicContact CB-CD2 3.94Å; A81-L105 WeakPolarHBondContact O-CB 3.07Å |
| 82 | V | 95.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 78.1 Ų | 78.1 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.6 | 173.6 | -71.4 | 0 | 0 | 0 | 0 | 109.7 | V88 G89 L91 | V82-V88 WeakPolarHBondContact O-CA 2.97Å; V82-G89 PolarHBondContact N-O 2.85Å; V82-G89 PolarHBondContact O-N 3.39Å; V82-L91 HydrophobicContact CG1-CD1 3.82Å; V82-L91 HydrophobicContact CG1-CD2 4.38Å; V82-L91 HydrophobicContact CG1-CG 4.26Å; V82-L91 HydrophobicContact CG2-CD2 4.11Å; V82-L91 HydrophobicContact CG2-CG 4.48Å |
| 83 | R | 95.8 | Very high | 94.3 | Very high | 161 Ų | 161 | 76.7 Ų | 76.7 | 61% | 0.608 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.7 | 178 | -169.3 | 173 | -178.9 | 168.8 | 2.2 | 109.9 | G85 V88 L105 | R83-G85 WeakPolarHBondContact CG-O 3.04Å; R83-G85 PolarHBondContact NE-O 3.39Å; R83-V88 HydrophobicContact CG-CG2 4.31Å; R83-L105 HydrophobicContact CB-CD1 4.33Å |
| 84 | K | 94.6 | Very high | 94.5 | Very high | 188 Ų | 188 | 73.1 Ų | 73.1 | 82% | 0.817 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 96.7 | 172 | -165.8 | 171 | -177.3 | 175.3 | 0 | 108.4 | A86 R87 | K84-A86 PolarHBondContact O-N 3.33Å; K84-R87 PolarHBondContact N-O 3.41Å; K84-R87 PolarHBondContact O-N 3.41Å |
| 85 | G | 92.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 74.7 Ų | 74.7 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -124.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R83 R87 | R83-G85 WeakPolarHBondContact CG-O 3.04Å; R83-G85 PolarHBondContact NE-O 3.39Å; G85-R87 VanDerWaalsContact C-N 3.34Å |
| 86 | A | 93.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 81.7 Ų | 81.7 | 83% | 0.826 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K84 | K84-A86 PolarHBondContact O-N 3.33Š|
| 87 | R | 94.5 | Very high | 94.2 | Very high | 210 Ų | 210 | 82.2 Ų | 82.2 | 79% | 0.792 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146 | -176.7 | -59.8 | -174.7 | -173.2 | -157.2 | 1.9 | 111.1 | K84 G85 | K84-R87 PolarHBondContact N-O 3.41Å; K84-R87 PolarHBondContact O-N 3.41Å; G85-R87 VanDerWaalsContact C-N 3.34Å |
| 88 | V | 94.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 82 Ų | 82 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.6 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | A81 V82 R83 F102 | A81-V88 HydrophobicContact CB-CG1 3.97Å; V82-V88 WeakPolarHBondContact O-CA 2.97Å; R83-V88 HydrophobicContact CG-CG2 4.31Å; V88-F102 HydrophobicContact CG1-CD1 3.42Å; V88-F102 VanDerWaalsContact CG1-CD1 3.42Å; V88-F102 HydrophobicContact CG1-CE1 3.78Å; V88-F102 HydrophobicContact CG1-CG 4.29Å |
| 89 | G | 93.6 | Very high | 94.2 | Very high | 35 Ų | 35 | 82.6 Ų | 82.6 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A81 V82 | A81-G89 CarbonylContact C-O 3.09Å; A81-G89 WeakPolarHBondContact CA-O 3.11Å; A81-G89 WeakPolarHBondContact CB-O 2.99Å; V82-G89 PolarHBondContact N-O 2.85Å; V82-G89 PolarHBondContact O-N 3.39Å |
| 90 | T | 93.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 79.1 Ų | 79.1 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 137.1 | 175 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | L71 F102 | L71-T90 WeakPolarHBondContact CD1-OG1 3.38Å; T90-F102 HydrophobicContact CG2-CE1 3.89Å; T90-F102 HydrophobicContact CG2-CZ 4.17Å |
| 91 | L | 93 | Very high | 94.2 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 42% | 0.419 | 46% | 0.464 | S | S | . | . | trans | -98.6 | -37.4 | -179.3 | -63.6 | -179.7 | 0 | 0 | 0 | 112.1 | P72 Q79 C80 V82 | P72-L91 WeakPolarHBondContact CD-O 3.38Å; Q79-L91 HydrophobicContact CG-CD1 4.47Å; C80-L91 PolarHBondContact O-N 2.9Å; V82-L91 HydrophobicContact CG1-CD1 3.82Å; V82-L91 HydrophobicContact CG1-CD2 4.38Å; V82-L91 HydrophobicContact CG1-CG 4.26Å; V82-L91 HydrophobicContact CG2-CD2 4.11Å; V82-L91 HydrophobicContact CG2-CG 4.48Å | ||
| 92 | C | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 86.4 Ų | 86.4 | 6% | 0.061 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -151.8 | 164.8 | -172.9 | 62 | 0 | 0 | 0 | 0 | 110.5 | P72 C74 C80 | P72-C92 HydrophobicContact CG-CB 4.26Å; P72-C92 CarbonylContact O-C 3.47Å; P72-C92 WeakPolarHBondContact O-CA 3.41Å; P72-C92 WeakPolarHBondContact O-CB 3.49Å; C74-C92 HydrophobicContact CB-CB 3.84Å; C74-C92 WeakPolarHBondContact CB-SG 3.26Å; C74-C92 WeakPolarHBondContact SG-CB 3.41Å; C74-C92 CovalentContact SG-SG 1.99Å; C74-C92 PolarHBondContact SG-SG 2.7Å; C80-C92 VanDerWaalsContact CA-SG 3.53Å |
| 93 | G | 93.3 | Very high | 94 | Very high | 36 Ų | 36 | 93.6 Ų | 93.6 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 129.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P72 S73 C74 | P72-G93 PolarHBondContact O-N 3.47Å; S73-G93 WeakPolarHBondContact CA-O 3.33Å; C74-G93 PolarHBondContact N-O 3.44Å |
| 94 | C | 95.4 | Very high | 94 | Very high | 33 Ų | 33 | 89.9 Ų | 89.9 | 22% | 0.223 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 148.2 | 174.8 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | T98 C100 C107 | C94-T98 WeakPolarHBondContact CB-OG1 3.45Å; C94-C100 PolarHBondContact SG-N 3.49Å; C94-C100 VanDerWaalsContact SG-N 3.45Å; C94-C107 WeakPolarHBondContact CA-SG 3.37Å; C94-C107 HydrophobicContact CB-CB 3.78Å; C94-C107 WeakPolarHBondContact CB-SG 3.32Å; C94-C107 WeakPolarHBondContact SG-CA 3.33Å; C94-C107 WeakPolarHBondContact SG-CB 3.23Å; C94-C107 CovalentContact SG-SG 2.03Å; C94-C107 PolarHBondContact SG-SG 3.41Å |
| 95 | P | 94.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 82.4 Ų | 82.4 | 31% | 0.305 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 159.2 | 178.1 | 29.1 | -33.2 | 0 | 0 | 0 | 110.6 | C74 G97 T98 | C74-P95 WeakPolarHBondContact O-CD 3.13Å; P95-G97 PolarHBondContact O-N 3.1Å; P95-T98 VanDerWaalsContact CD-OG1 3.23Å; P95-T98 WeakPolarHBondContact CD-OG1 3.46Å; P95-T98 WeakPolarHBondContact CG-OG1 3.33Å; P95-T98 PolarHBondContact O-N 3.29Å; P95-T98 VanDerWaalsContact O-N 3.08Å; P95-T98 PolarHBondContact O-OG1 2.89Å |
| 96 | R | 91.9 | Very high | 94.3 | Very high | 257 Ų | 257 | 84.1 Ų | 84.1 | 97% | 0.97 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 133.5 | -179.6 | -68.3 | -174.9 | 174.5 | -177.2 | -1.4 | 110.7 | ||
| 97 | G | 91.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 79.5 Ų | 79.5 | 86% | 0.856 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | -7.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P95 | P95-G97 PolarHBondContact O-N 3.1Š|
| 98 | T | 93.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 75.3 Ų | 75.3 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | trans | -122.6 | 154.5 | 171.3 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | A76 C94 P95 L108 | A76-T98 HydrophobicContact CB-CG2 4.4Å; C94-T98 WeakPolarHBondContact CB-OG1 3.45Å; P95-T98 VanDerWaalsContact CD-OG1 3.23Å; P95-T98 WeakPolarHBondContact CD-OG1 3.46Å; P95-T98 WeakPolarHBondContact CG-OG1 3.33Å; P95-T98 PolarHBondContact O-N 3.29Å; P95-T98 VanDerWaalsContact O-N 3.08Å; P95-T98 PolarHBondContact O-OG1 2.89Å; T98-L108 CarbonylContact C-O 3.47Å; T98-L108 VanDerWaalsContact CA-O 3.27Å; T98-L108 WeakPolarHBondContact CA-O 3.49Å; T98-L108 WeakPolarHBondContact CB-O 3.27Å | ||
| 99 | T | 94.6 | Very high | 94.4 | Very high | 104 Ų | 104 | 75.9 Ų | 75.9 | 64% | 0.638 | 42% | 0.416 | S | S | * | . | trans | -127 | 151.3 | 177.4 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | N101 C107 L108 | T99-N101 PolarHBondContact O-N 3.43Å; T99-N101 VanDerWaalsContact O-N 3.16Å; T99-C107 WeakPolarHBondContact O-CA 3.46Å; T99-L108 PolarHBondContact N-O 3.4Å; T99-L108 PolarHBondContact O-N 3.5Å | ||
| 100 | C | 95.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 78 Ų | 78 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 109.7 | 176.9 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | C80 C94 F102 | C80-C100 HydrophobicContact CB-CB 3.78Å; C80-C100 WeakPolarHBondContact CB-SG 3.11Å; C80-C100 WeakPolarHBondContact SG-CA 3.44Å; C80-C100 WeakPolarHBondContact SG-CB 3.38Å; C80-C100 CovalentContact SG-SG 2.02Å; C80-C100 PolarHBondContact SG-SG 2.94Å; C94-C100 PolarHBondContact SG-N 3.49Å; C94-C100 VanDerWaalsContact SG-N 3.45Å; C100-F102 PolarHBondContact O-N 3.02Å |
| 101 | N | 96.5 | Very high | 94.5 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.1 | 174.5 | -175.7 | -50.5 | 0 | 0 | 0 | 109.4 | T99 Y103 V104 L105 K106 L108 | T99-N101 PolarHBondContact O-N 3.43Å; T99-N101 VanDerWaalsContact O-N 3.16Å; N101-Y103 VanDerWaalsContact C-N 3.27Å; N101-Y103 PolarHBondContact O-N 3.3Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.3Å; N101-Y103 WeakPolarHBondContact OD1-CB 2.98Å; N101-Y103 PolarHBondContact OD1-N 2.97Å; N101-V104 PolarHBondContact O-N 3.16Å; N101-V104 PolarHBondContact OD1-N 3.45Å; N101-V104 VanDerWaalsContact OD1-N 3.1Å; N101-L105 WeakPolarHBondContact O-CA 3.18Å; N101-L105 PolarHBondContact O-N 2.74Å; N101-K106 PolarHBondContact N-O 3.08Å; N101-K106 PolarHBondContact O-N 2.03Å; N101-L108 HydrophobicContact CB-CD1 3.97Å; N101-L108 HydrophobicContact CB-CG 4.44Å |
| 102 | F | 94.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 78.2 Ų | 78.2 | 45% | 0.447 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.4 | -176.8 | -64.4 | -63.5 | 0 | 0 | 0 | 115.6 | A81 V88 T90 C100 L105 | A81-F102 HydrophobicContact CB-CD1 3.84Å; A81-F102 HydrophobicContact CB-CE1 3.91Å; V88-F102 HydrophobicContact CG1-CD1 3.42Å; V88-F102 VanDerWaalsContact CG1-CD1 3.42Å; V88-F102 HydrophobicContact CG1-CE1 3.78Å; V88-F102 HydrophobicContact CG1-CG 4.29Å; T90-F102 HydrophobicContact CG2-CE1 3.89Å; T90-F102 HydrophobicContact CG2-CZ 4.17Å; C100-F102 PolarHBondContact O-N 3.02Å; F102-L105 WeakPolarHBondContact O-CD2 3.05Å |
| 103 | Y | 93.9 | Very high | 94.6 | Very high | 211 Ų | 211 | 82.5 Ų | 82.5 | 83% | 0.827 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -46.1 | 171.2 | -62.5 | -85.7 | 0 | 0 | 0 | 111.4 | N101 | N101-Y103 VanDerWaalsContact C-N 3.27Å; N101-Y103 PolarHBondContact O-N 3.3Å; N101-Y103 WeakPolarHBondContact OD1-CA 3.3Å; N101-Y103 WeakPolarHBondContact OD1-CB 2.98Å; N101-Y103 PolarHBondContact OD1-N 2.97Å |
| 104 | V | 95.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 85.6 Ų | 85.6 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -16.4 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | N101 K106 L108 | N101-V104 PolarHBondContact O-N 3.16Å; N101-V104 PolarHBondContact OD1-N 3.45Å; N101-V104 VanDerWaalsContact OD1-N 3.1Å; V104-K106 HydrophobicContact CG1-CB 4.28Å; V104-K106 HydrophobicContact CG1-CD 4.15Å; V104-K106 HydrophobicContact CG1-CG 4.29Å; V104-K106 PolarHBondContact O-N 2.98Å; V104-L108 HydrophobicContact CG2-CD1 4.48Å |
| 105 | L | 96.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 89.4 Ų | 89.4 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.2 | -177.4 | -56.1 | 175.6 | 0 | 0 | 0 | 114.1 | Q79 C80 A81 R83 N101 F102 | Q79-L105 CarbonylContact C-O 3.48Å; Q79-L105 VanDerWaalsContact CA-O 3.26Å; Q79-L105 WeakPolarHBondContact CA-O 3.02Å; Q79-L105 WeakPolarHBondContact CG-O 3.43Å; C80-L105 PolarHBondContact N-O 2.9Å; A81-L105 HydrophobicContact CB-CD2 3.94Å; A81-L105 WeakPolarHBondContact O-CB 3.07Å; R83-L105 HydrophobicContact CB-CD1 4.33Å; N101-L105 WeakPolarHBondContact O-CA 3.18Å; N101-L105 PolarHBondContact O-N 2.74Å; F102-L105 WeakPolarHBondContact O-CD2 3.05Å |
| 106 | K | 96.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 92.6 Ų | 92.6 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157.3 | -176.5 | -69.6 | -179 | 172.6 | -169.1 | 0 | 113 | G77 E78 C80 N101 V104 L108 | G77-K106 WeakPolarHBondContact O-CD 3.48Å; E78-K106 CarbonylContact O-C 3.57Å; E78-K106 WeakPolarHBondContact O-CA 3.47Å; C80-K106 PolarHBondContact SG-O 3.34Å; N101-K106 PolarHBondContact N-O 3.08Å; N101-K106 PolarHBondContact O-N 2.03Å; V104-K106 HydrophobicContact CG1-CB 4.28Å; V104-K106 HydrophobicContact CG1-CD 4.15Å; V104-K106 HydrophobicContact CG1-CG 4.29Å; V104-K106 PolarHBondContact O-N 2.98Å; K106-L108 PolarHBondContact O-N 2.94Å |
| 107 | C | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.014 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 114.6 | 171.1 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | G77 E78 C80 C94 T99 | G77-C107 WeakPolarHBondContact CA-O 3.47Å; G77-C107 PolarHBondContact N-O 3.23Å; E78-C107 PolarHBondContact O-N 3.45Å; C80-C107 VanDerWaalsContact CB-SG 3.58Å; C94-C107 WeakPolarHBondContact CA-SG 3.37Å; C94-C107 HydrophobicContact CB-CB 3.78Å; C94-C107 WeakPolarHBondContact CB-SG 3.32Å; C94-C107 WeakPolarHBondContact SG-CA 3.33Å; C94-C107 WeakPolarHBondContact SG-CB 3.23Å; C94-C107 CovalentContact SG-SG 2.03Å; C94-C107 PolarHBondContact SG-SG 3.41Å; T99-C107 WeakPolarHBondContact O-CA 3.46Å |
| 108 | L | 94.6 | Very high | 95.3 | Very high | 122 Ų | 122 | 78.5 Ų | 78.5 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | trans | -124.9 | 0 | 179 | -62 | 178 | 0 | 0 | 0 | 111.3 | T98 T99 N101 V104 K106 | T98-L108 CarbonylContact C-O 3.47Å; T98-L108 VanDerWaalsContact CA-O 3.27Å; T98-L108 WeakPolarHBondContact CA-O 3.49Å; T98-L108 WeakPolarHBondContact CB-O 3.27Å; T99-L108 PolarHBondContact N-O 3.4Å; T99-L108 PolarHBondContact O-N 3.5Å; N101-L108 HydrophobicContact CB-CD1 3.97Å; N101-L108 HydrophobicContact CB-CG 4.44Å; V104-L108 HydrophobicContact CG2-CD1 4.48Å; K106-L108 PolarHBondContact O-N 2.94Å |
Retrieved 108 of 108 residues in 92.2 ms
(Link to these results)