| 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 | 41.6 | Very low | 42.5 | Very low | 215 Ų | 215 | 101.5 Ų | 101.5 | 100% | 1.059 | 53% | 0.531 | S | S | * | . | 0 | -37.5 | 0 | -72.8 | -166.8 | -171.3 | 0 | 0 | 111.8 | V3 L4 G5 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.35Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-G5 PolarHBondContact O-N 3.38Å | |||
| 2 | D | 40.5 | Very low | 42.6 | Very low | 132 Ų | 132 | 97.3 Ų | 97.3 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -32.1 | 178.3 | -56.7 | -43 | 0 | 0 | 0 | 114.8 | L4 G5 M6 | D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 2.98Å; D2-G5 WeakPolarHBondContact O-CA 3.47Å; D2-G5 PolarHBondContact O-N 3.26Å; D2-G5 VanDerWaalsContact O-N 3.16Å; D2-M6 PolarHBondContact O-N 2.74Å |
| 3 | V | 39 | Very low | 43.1 | Very low | 93 Ų | 93 | 97.8 Ų | 97.8 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -36.9 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | M1 G5 M6 V7 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.35Å; V3-G5 VanDerWaalsContact C-N 3.28Å; V3-G5 PolarHBondContact O-N 2.95Å; V3-M6 PolarHBondContact O-N 3.25Å; V3-V7 VanDerWaalsContact O-CG2 3.29Å; V3-V7 WeakPolarHBondContact O-CG2 3.26Å; V3-V7 PolarHBondContact O-N 2.93Å |
| 4 | L | 37.5 | Very low | 43.6 | Very low | 127 Ų | 127 | 94.9 Ų | 94.9 | 67% | 0.665 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | -30.5 | 174.9 | -143.4 | 85.7 | 0 | 0 | 0 | 111.2 | M1 D2 K8 | M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-L4 VanDerWaalsContact O-N 3.16Å; D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 2.98Å; L4-K8 WeakPolarHBondContact O-CG 3.27Å; L4-K8 PolarHBondContact O-N 3.01Å |
| 5 | G | 39.3 | Very low | 44.1 | Very low | 32 Ų | 32 | 95.1 Ų | 95.1 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 D2 V3 R9 | M1-G5 PolarHBondContact O-N 3.38Å; D2-G5 WeakPolarHBondContact O-CA 3.47Å; D2-G5 PolarHBondContact O-N 3.26Å; D2-G5 VanDerWaalsContact O-N 3.16Å; V3-G5 VanDerWaalsContact C-N 3.28Å; V3-G5 PolarHBondContact O-N 2.95Å; G5-R9 WeakPolarHBondContact O-CG 3.38Å; G5-R9 PolarHBondContact O-N 3.19Å |
| 6 | M | 43.6 | Very low | 44.8 | Very low | 36 Ų | 36 | 90.5 Ų | 90.5 | 18% | 0.177 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.4 | -45.6 | 173.7 | -85 | -171.4 | 83.7 | 0 | 0 | 112.2 | D2 V3 K8 R9 L10 M910 A914 | D2-M6 PolarHBondContact O-N 2.74Å; V3-M6 PolarHBondContact O-N 3.25Å; M6-K8 PolarHBondContact O-N 3.48Å; M6-R9 WeakPolarHBondContact O-CA 3.44Å; M6-R9 WeakPolarHBondContact O-CB 3.39Å; M6-R9 PolarHBondContact O-N 3.45Å; M6-L10 HydrophobicContact CB-CD1 4.31Å; M6-L10 HydrophobicContact CE-CD1 4.4Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 WeakPolarHBondContact O-CD1 3.22Å; M6-L10 PolarHBondContact O-N 2.78Å; M6-M910 HydrophobicContact CE-CB 3.45Å; M6-M910 VanDerWaalsContact CE-CB 3.45Å; M6-M910 HydrophobicContact SD-CB 3.43Å; M6-M910 WeakPolarHBondContact SD-CB 3.17Å; M6-M910 HydrophobicContact SD-CE 3.51Å; M6-M910 VanDerWaalsContact SD-CE 3.51Å; M6-M910 HydrophobicContact SD-CG 4.12Å; M6-M910 HydrophobicContact SD-SD 3.69Å; M6-M910 VanDerWaalsContact SD-SD 3.69Å; M6-A914 HydrophobicContact CE-CB 4.45Å |
| 7 | V | 44.4 | Very low | 45.4 | Very low | 83 Ų | 83 | 90.9 Ų | 90.9 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.6 | -36.2 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | V3 A11 | V3-V7 VanDerWaalsContact O-CG2 3.29Å; V3-V7 WeakPolarHBondContact O-CG2 3.26Å; V3-V7 PolarHBondContact O-N 2.93Å; V7-A11 VanDerWaalsContact O-CB 3.26Å; V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.1Å |
| 8 | K | 43.5 | Very low | 46 | Very low | 154 Ų | 154 | 89.2 Ų | 89.2 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.2 | -34.7 | 171.6 | -78.7 | -175.7 | 175.6 | -167.8 | 0 | 113.7 | L4 M6 C12 | L4-K8 WeakPolarHBondContact O-CG 3.27Å; L4-K8 PolarHBondContact O-N 3.01Å; M6-K8 PolarHBondContact O-N 3.48Å; K8-C12 VanDerWaalsContact O-CB 3.24Å; K8-C12 WeakPolarHBondContact O-CB 3.48Å; K8-C12 PolarHBondContact O-N 3.23Å |
| 9 | R | 43.4 | Very low | 46.4 | Very low | 176 Ų | 176 | 87.4 Ų | 87.4 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73.9 | -36.8 | 176.8 | -71.9 | 179.7 | -166.1 | -161.6 | 4 | 112.3 | G5 M6 C12 L13 | G5-R9 WeakPolarHBondContact O-CG 3.38Å; G5-R9 PolarHBondContact O-N 3.19Å; M6-R9 WeakPolarHBondContact O-CA 3.44Å; M6-R9 WeakPolarHBondContact O-CB 3.39Å; M6-R9 PolarHBondContact O-N 3.45Å; R9-C12 PolarHBondContact O-N 3.36Å; R9-L13 PolarHBondContact O-N 3.32Å |
| 10 | L | 47.1 | Very low | 46.6 | Very low | 22 Ų | 22 | 86.5 Ų | 86.5 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -72.2 | -47.8 | 177.7 | -85.2 | 141.9 | 0 | 0 | 0 | 111.5 | M6 C12 L13 F14 A914 E918 | M6-L10 HydrophobicContact CB-CD1 4.31Å; M6-L10 HydrophobicContact CE-CD1 4.4Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 WeakPolarHBondContact O-CD1 3.22Å; M6-L10 PolarHBondContact O-N 2.78Å; L10-C12 PolarHBondContact O-N 3.33Å; L10-L13 CarbonylContact O-C 3.57Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 PolarHBondContact O-N 3.32Å; L10-F14 VanDerWaalsContact O-CB 3.3Å; L10-F14 WeakPolarHBondContact O-CB 2.95Å; L10-F14 PolarHBondContact O-N 3.22Å; L10-A914 HydrophobicContact CD1-CB 3.18Å; L10-A914 HydrophobicContact CD2-CB 3.74Å; L10-A914 HydrophobicContact CG-CB 4.1Å; L10-E918 VanDerWaalsContact C-OE1 3.27Å; L10-E918 WeakPolarHBondContact CA-OE1 3.28Å; L10-E918 HydrophobicContact CB-CG 4.41Å; L10-E918 WeakPolarHBondContact CB-OE1 3.48Å; L10-E918 HydrophobicContact CD2-CG 3.86Å; L10-E918 WeakPolarHBondContact CD2-OE1 3.39Å; L10-E918 WeakPolarHBondContact CD2-OE2 3.44Å |
| 11 | A | 47.5 | Very low | 46.8 | Very low | 47 Ų | 47 | 87.8 Ų | 87.8 | 39% | 0.388 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.2 | -39.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | V7 F14 D15 | V7-A11 VanDerWaalsContact O-CB 3.26Å; V7-A11 WeakPolarHBondContact O-CB 3.42Å; V7-A11 PolarHBondContact O-N 3.1Å; A11-F14 PolarHBondContact O-N 3.02Å; A11-D15 WeakPolarHBondContact O-CB 3.49Å; A11-D15 PolarHBondContact O-N 3.12Å |
| 12 | C | 43.9 | Very low | 47.2 | Very low | 50 Ų | 50 | 82.8 Ų | 82.8 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 175.9 | -158.4 | 0 | 0 | 0 | 0 | 112.2 | K8 R9 L10 F14 V16 | K8-C12 VanDerWaalsContact O-CB 3.24Å; K8-C12 WeakPolarHBondContact O-CB 3.48Å; K8-C12 PolarHBondContact O-N 3.23Å; R9-C12 PolarHBondContact O-N 3.36Å; L10-C12 PolarHBondContact O-N 3.33Å; C12-F14 VanDerWaalsContact C-N 3.34Å; C12-V16 WeakPolarHBondContact O-CB 3.49Å; C12-V16 WeakPolarHBondContact O-CG2 3.39Å; C12-V16 PolarHBondContact O-N 3.25Å |
| 13 | L | 49.8 | Very low | 47.6 | Very low | 104 Ų | 104 | 77.8 Ų | 77.8 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173.4 | -87.9 | 157.3 | 0 | 0 | 0 | 112.3 | R9 L10 V16 L17 | R9-L13 PolarHBondContact O-N 3.32Å; L10-L13 CarbonylContact O-C 3.57Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 PolarHBondContact O-N 3.32Å; L13-V16 PolarHBondContact O-N 3.07Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 PolarHBondContact O-N 2.9Å |
| 14 | F | 49.7 | Very low | 48.1 | Very low | 57 Ų | 57 | 78.5 Ų | 78.5 | 25% | 0.25 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.1 | -46.3 | 178.4 | -155.6 | -87.8 | 0 | 0 | 0 | 111.8 | L10 A11 C12 V16 L17 V18 Q922 | L10-F14 VanDerWaalsContact O-CB 3.3Å; L10-F14 WeakPolarHBondContact O-CB 2.95Å; L10-F14 PolarHBondContact O-N 3.22Å; A11-F14 PolarHBondContact O-N 3.02Å; C12-F14 VanDerWaalsContact C-N 3.34Å; F14-V16 VanDerWaalsContact C-N 3.3Å; F14-V16 PolarHBondContact O-N 3.06Å; F14-L17 PolarHBondContact O-N 3.38Å; F14-V18 HydrophobicContact CD1-CG2 3.83Å; F14-V18 HydrophobicContact CE1-CG2 3.52Å; F14-V18 HydrophobicContact CZ-CG2 4.28Å; F14-V18 WeakPolarHBondContact O-CB 3.32Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 3Å; F14-Q922 HydrophobicContact CE1-CG 4.24Å; F14-Q922 HydrophobicContact CE2-CG 3.27Å; F14-Q922 HydrophobicContact CZ-CG 3.1Å |
| 15 | D | 51.5 | Low | 48.6 | Very low | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 173.3 | -68.9 | -27.2 | 0 | 0 | 0 | 110.5 | A11 L19 | A11-D15 WeakPolarHBondContact O-CB 3.49Å; A11-D15 PolarHBondContact O-N 3.12Å; D15-L19 WeakPolarHBondContact O-CB 3.29Å; D15-L19 WeakPolarHBondContact O-CD1 3.37Å; D15-L19 WeakPolarHBondContact O-CG 3.41Å; D15-L19 PolarHBondContact O-N 2.66Å |
| 16 | V | 54.6 | Low | 49 | Very low | 22 Ų | 22 | 81.5 Ų | 81.5 | 13% | 0.133 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | C12 L13 F14 Q20 L130 | C12-V16 WeakPolarHBondContact O-CB 3.49Å; C12-V16 WeakPolarHBondContact O-CG2 3.39Å; C12-V16 PolarHBondContact O-N 3.25Å; L13-V16 PolarHBondContact O-N 3.07Å; F14-V16 VanDerWaalsContact C-N 3.3Å; F14-V16 PolarHBondContact O-N 3.06Å; V16-Q20 WeakPolarHBondContact O-CB 3.3Å; V16-Q20 PolarHBondContact O-N 3.44Å; V16-L130 HydrophobicContact CB-CD2 4.18Å; V16-L130 HydrophobicContact CG1-CD2 3.95Å; V16-L130 HydrophobicContact CG2-CD2 3.45Å; V16-L130 VanDerWaalsContact CG2-CD2 3.45Å |
| 17 | L | 54.7 | Low | 48.8 | Very low | 97 Ų | 97 | 83.1 Ų | 83.1 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.1 | -42.5 | -179.3 | -109.5 | 143.5 | 0 | 0 | 0 | 112.3 | L13 F14 Q20 L21 | L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 PolarHBondContact O-N 2.9Å; F14-L17 PolarHBondContact O-N 3.38Å; L17-Q20 PolarHBondContact O-N 2.87Å; L17-L21 WeakPolarHBondContact O-CB 3.15Å; L17-L21 PolarHBondContact O-N 3.06Å |
| 18 | V | 55.7 | Low | 48.5 | Very low | 61 Ų | 61 | 84.3 Ų | 84.3 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 175 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F14 L21 L22 | F14-V18 HydrophobicContact CD1-CG2 3.83Å; F14-V18 HydrophobicContact CE1-CG2 3.52Å; F14-V18 HydrophobicContact CZ-CG2 4.28Å; F14-V18 WeakPolarHBondContact O-CB 3.32Å; F14-V18 WeakPolarHBondContact O-CG2 3.34Å; F14-V18 PolarHBondContact O-N 3Å; V18-L21 PolarHBondContact O-N 3.27Å; V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 WeakPolarHBondContact O-CB 3.49Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.05Å |
| 19 | L | 53.8 | Low | 48.5 | Very low | 54 Ų | 54 | 84.9 Ų | 84.9 | 28% | 0.283 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 172.9 | -84.2 | 157.4 | 0 | 0 | 0 | 112.5 | D15 L22 C23 V104 | D15-L19 WeakPolarHBondContact O-CB 3.29Å; D15-L19 WeakPolarHBondContact O-CD1 3.37Å; D15-L19 WeakPolarHBondContact O-CG 3.41Å; D15-L19 PolarHBondContact O-N 2.66Å; L19-L22 PolarHBondContact O-N 2.76Å; L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.07Å; L19-C23 PolarHBondContact O-SG 3.26Å; L19-C23 VanDerWaalsContact O-SG 3.33Å; L19-V104 HydrophobicContact CD1-CG1 4.28Å; L19-V104 HydrophobicContact CD1-CG2 4.49Å; L19-V104 HydrophobicContact CD2-CG1 3.53Å |
| 20 | Q | 51.1 | Low | 48.5 | Very low | 69 Ų | 69 | 79.6 Ų | 79.6 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 172.9 | -87.4 | -174.2 | -54 | 0 | 0 | 112.2 | V16 L17 C23 T24 F133 | V16-Q20 WeakPolarHBondContact O-CB 3.3Å; V16-Q20 PolarHBondContact O-N 3.44Å; L17-Q20 PolarHBondContact O-N 2.87Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-T24 WeakPolarHBondContact O-CB 3.49Å; Q20-T24 VanDerWaalsContact O-CG2 3.25Å; Q20-T24 WeakPolarHBondContact O-CG2 3.42Å; Q20-T24 PolarHBondContact O-N 3.04Å; Q20-T24 VanDerWaalsContact O-N 3.12Å; Q20-T24 PolarHBondContact O-OG1 3.22Å; Q20-F133 PolarHBondContact NE2-O 3.05Å |
| 21 | L | 51.2 | Low | 48.1 | Very low | 115 Ų | 115 | 82.3 Ų | 82.3 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.4 | -38.3 | 175.5 | -88.8 | 152.2 | 0 | 0 | 0 | 112.3 | L17 V18 T24 | L17-L21 WeakPolarHBondContact O-CB 3.15Å; L17-L21 PolarHBondContact O-N 3.06Å; V18-L21 PolarHBondContact O-N 3.27Å; L21-T24 PolarHBondContact O-OG1 2.9Å; L21-T24 VanDerWaalsContact O-OG1 3.12Å |
| 22 | L | 49.8 | Very low | 47.8 | Very low | 109 Ų | 109 | 88.3 Ų | 88.3 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.7 | -30.1 | 175.9 | -72.4 | 166.5 | 0 | 0 | 0 | 113.1 | V18 L19 T25 | V18-L22 HydrophobicContact CG1-CD1 3.95Å; V18-L22 WeakPolarHBondContact O-CB 3.49Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 2.76Å; L22-T25 PolarHBondContact O-OG1 2.79Å |
| 23 | C | 49.6 | Very low | 47.9 | Very low | 28 Ų | 28 | 90.7 Ų | 90.7 | 19% | 0.189 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -83.9 | -18.3 | 178.3 | -72.2 | 0 | 0 | 0 | 0 | 114.1 | L19 Q20 Y107 | L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.07Å; L19-C23 PolarHBondContact O-SG 3.26Å; L19-C23 VanDerWaalsContact O-SG 3.33Å; Q20-C23 PolarHBondContact O-N 2.77Å; C23-Y107 HydrophobicContact CB-CE1 4.26Å |
| 24 | T | 49.6 | Very low | 48.1 | Very low | 108 Ų | 108 | 90.4 Ų | 90.4 | 66% | 0.663 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -82.3 | -15.9 | -178.1 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | Q20 L21 | Q20-T24 WeakPolarHBondContact O-CB 3.49Å; Q20-T24 VanDerWaalsContact O-CG2 3.25Å; Q20-T24 WeakPolarHBondContact O-CG2 3.42Å; Q20-T24 PolarHBondContact O-N 3.04Å; Q20-T24 VanDerWaalsContact O-N 3.12Å; Q20-T24 PolarHBondContact O-OG1 3.22Å; L21-T24 PolarHBondContact O-OG1 2.9Å; L21-T24 VanDerWaalsContact O-OG1 3.12Å |
| 25 | T | 46.7 | Very low | 48.4 | Very low | 115 Ų | 115 | 92.8 Ų | 92.8 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.8 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | L22 | L22-T25 PolarHBondContact O-OG1 2.79Š|
| 26 | I | 47.4 | Very low | 49.4 | Very low | 107 Ų | 107 | 95.6 Ų | 95.6 | 55% | 0.549 | 53% | 0.532 | S | S | . | . | trans | -116.3 | 82.5 | -178.5 | -50.9 | 172.1 | 0 | 0 | 0 | 108.8 | R135 | I26-R135 PolarHBondContact O-NH2 3.38Š| ||
| 27 | G | 40.4 | Very low | 51 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | trans | -154.2 | 51.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 28 | S | 38.6 | Very low | 52.7 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 76% | 0.755 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -87.3 | 146.6 | 161.1 | 31.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 29 | D | 41.8 | Very low | 54.4 | Low | 166 Ų | 166 | 94.4 Ų | 94.4 | 89% | 0.888 | 51% | 0.513 | S | S | * | . | trans | -36.7 | 125.5 | -168.9 | -71.7 | -53.1 | 0 | 0 | 0 | 116.5 | ||||
| 30 | V | 45.3 | Very low | 56.3 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 39% | 0.394 | 50% | 0.5 | S | S | . | . | trans | -82.5 | 123.4 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | R34 | V30-R34 HydrophobicContact CG1-CB 3.89Š| ||
| 31 | P | 38.5 | Very low | 58.4 | Low | 80 Ų | 80 | 88.6 Ų | 88.6 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | trans | -62.6 | 142.8 | -178.7 | 20.4 | -29.9 | 0 | 0 | 0 | 113 | S33 R34 | P31-S33 PolarHBondContact O-N 3.46Å; P31-R34 PolarHBondContact O-N 3.29Å | ||
| 32 | M | 39.6 | Very low | 60.4 | Low | 172 Ų | 172 | 83.1 Ų | 83.1 | 85% | 0.847 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -53.3 | -23.9 | -173.9 | -140.4 | 169.9 | 82.6 | 0 | 0 | 114.4 | R34 H35 | M32-R34 VanDerWaalsContact C-N 3.28Å; M32-R34 PolarHBondContact O-N 3.26Å; M32-H35 PolarHBondContact O-N 3.36Å |
| 33 | S | 46.4 | Very low | 62.4 | Low | 100 Ų | 100 | 78 Ų | 78 | 70% | 0.699 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.6 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | P31 H35 | P31-S33 PolarHBondContact O-N 3.46Å; S33-H35 VanDerWaalsContact C-N 3.32Å; S33-H35 PolarHBondContact O-N 2.82Å |
| 34 | R | 53.4 | Low | 64.3 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -81.2 | -3.8 | 178.9 | -98.8 | -178.6 | 170.8 | 179.7 | -5.6 | 114.8 | V30 P31 M32 R36 | V30-R34 HydrophobicContact CG1-CB 3.89Å; P31-R34 PolarHBondContact O-N 3.29Å; M32-R34 VanDerWaalsContact C-N 3.28Å; M32-R34 PolarHBondContact O-N 3.26Å; R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.18Å |
| 35 | H | 57.3 | Low | 66.3 | Low | 106 Ų | 106 | 71.7 Ų | 71.7 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -73.8 | -16.3 | -177.8 | -77.8 | 51.8 | 0 | 0 | 0 | 113.8 | M32 S33 | M32-H35 PolarHBondContact O-N 3.36Å; S33-H35 VanDerWaalsContact C-N 3.32Å; S33-H35 PolarHBondContact O-N 2.82Å |
| 36 | R | 72.7 | Confident | 68.2 | Low | 158 Ų | 158 | 70.7 Ų | 70.7 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -100 | 7.9 | -177.9 | -66.8 | -169.6 | -177.5 | -166.8 | -1.4 | 115.1 | R34 D82 I83 R84 | R34-R36 VanDerWaalsContact C-N 3.28Å; R34-R36 PolarHBondContact O-N 3.18Å; R36-D82 WeakPolarHBondContact CB-O 3.37Å; R36-D82 WeakPolarHBondContact CG-O 3.19Å; R36-I83 WeakPolarHBondContact O-CA 3.43Å; R36-R84 PolarHBondContact O-N 2.97Å |
| 37 | R | 86.6 | Confident | 69.9 | Low | 128 Ų | 128 | 73.2 Ų | 73.2 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.1 | -178.6 | -59.5 | -169.7 | -171.1 | -176.2 | 2.1 | 111.5 | R84 D86 | R37-R84 CarbonylContact C-O 3.48Å; R37-R84 WeakPolarHBondContact CA-O 3.25Å; R37-D86 WeakPolarHBondContact CD-OD2 3.39Å |
| 38 | I | 91 | Very high | 71.4 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.8 | 177.5 | -64.4 | -67.8 | 0 | 0 | 0 | 109.1 | V40 I83 R84 F85 D86 D113 V114 Y406 L410 P420 | I38-V40 HydrophobicContact CG2-CG2 4.17Å; I38-I83 HydrophobicContact CB-CG2 4.37Å; I38-I83 HydrophobicContact CG1-CG2 3.51Å; I38-R84 PolarHBondContact N-O 3.28Å; I38-F85 HydrophobicContact CB-CD1 4.13Å; I38-F85 HydrophobicContact CB-CE1 4.41Å; I38-F85 HydrophobicContact CG2-CD1 4.13Å; I38-F85 HydrophobicContact CG2-CE1 4.28Å; I38-D86 PolarHBondContact O-N 2.93Å; I38-D113 HydrophobicContact CG2-CB 4.1Å; I38-V114 HydrophobicContact CG2-CG1 4.2Å; I38-Y406 HydrophobicContact CG2-CE1 4.26Å; I38-L410 HydrophobicContact CG1-CD2 4.07Å; I38-P420 HydrophobicContact CD1-CB 3.86Å; I38-P420 HydrophobicContact CD1-CG 4.41Å |
| 39 | Q | 92.6 | Very high | 72.9 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.4 | -178.4 | -51.2 | -60.6 | -56.9 | 0 | 0 | 109.6 | D86 H88 Q111 D113 V114 | Q39-D86 PolarHBondContact NE2-OD2 3.44Å; Q39-H88 PolarHBondContact OE1-NE2 2.88Å; Q39-Q111 VanDerWaalsContact CB-C 3.41Å; Q39-Q111 WeakPolarHBondContact CB-O 3.23Å; Q39-D113 WeakPolarHBondContact CB-OD2 3.31Å; Q39-D113 WeakPolarHBondContact CG-OD2 3.28Å; Q39-D113 PolarHBondContact N-OD2 3.4Å; Q39-D113 PolarHBondContact O-N 2.91Å; Q39-V114 PolarHBondContact O-N 3.49Å |
| 40 | V | 93.8 | Very high | 74.2 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.7 | -175.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | I38 V42 F85 D86 L87 H88 V114 F116 | I38-V40 HydrophobicContact CG2-CG2 4.17Å; V40-V42 HydrophobicContact CG1-CG2 4.24Å; V40-F85 HydrophobicContact CG2-CB 4.33Å; V40-F85 HydrophobicContact CG2-CD1 3.78Å; V40-D86 PolarHBondContact N-O 3.18Å; V40-L87 HydrophobicContact CB-CD2 3.84Å; V40-L87 HydrophobicContact CG1-CD2 3.79Å; V40-L87 HydrophobicContact CG2-CD2 4.45Å; V40-H88 PolarHBondContact O-N 3.42Å; V40-V114 HydrophobicContact CB-CG1 4.13Å; V40-V114 HydrophobicContact CG1-CG1 4.1Å; V40-V114 HydrophobicContact CG2-CG1 3.73Å; V40-F116 HydrophobicContact CG1-CD2 3.57Å; V40-F116 HydrophobicContact CG1-CE2 4.04Å |
| 41 | M | 94 | Very high | 75.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.7 | 172.4 | -179.9 | -171.4 | 175.1 | 0 | 0 | 109.7 | A43 H88 R90 A103 A106 L112 V114 V115 F116 F118 | M41-A43 HydrophobicContact CE-CB 3.88Å; M41-H88 CarbonylContact C-O 3.57Å; M41-H88 WeakPolarHBondContact CA-O 3.37Å; M41-R90 HydrophobicContact CE-CB 3.87Å; M41-R90 HydrophobicContact CE-CG 3.93Å; M41-R90 HydrophobicContact CG-CG 4.32Å; M41-A103 HydrophobicContact CE-CB 4.11Å; M41-A103 HydrophobicContact SD-CB 4.19Å; M41-A106 HydrophobicContact SD-CB 4.13Å; M41-L112 HydrophobicContact CB-CD1 3.24Å; M41-L112 HydrophobicContact CG-CD1 4.09Å; M41-L112 HydrophobicContact SD-CD1 3.73Å; M41-V114 PolarHBondContact N-O 2.98Å; M41-V115 WeakPolarHBondContact O-CA 3.4Å; M41-V115 HydrophobicContact SD-CG2 4.47Å; M41-F116 PolarHBondContact O-N 3.01Å; M41-F118 HydrophobicContact CE-CZ 4.45Å |
| 42 | V | 93.7 | Very high | 76.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109 | 172.3 | -173 | 0 | 0 | 0 | 0 | 108.7 | V40 M44 V63 I67 L87 H88 F89 R90 F116 | V40-V42 HydrophobicContact CG1-CG2 4.24Å; V42-M44 HydrophobicContact CG1-CG 4.04Å; V42-V63 HydrophobicContact CG1-CG1 4.48Å; V42-I67 HydrophobicContact CG1-CD1 3.85Å; V42-I67 HydrophobicContact CG2-CD1 3.83Å; V42-L87 HydrophobicContact CG2-CD2 4.18Å; V42-H88 PolarHBondContact N-O 3.46Å; V42-F89 HydrophobicContact CB-CD1 3.71Å; V42-F89 HydrophobicContact CB-CE1 3.67Å; V42-F89 HydrophobicContact CB-CG 4.29Å; V42-F89 HydrophobicContact CB-CZ 4.18Å; V42-F89 HydrophobicContact CG1-CD1 3.81Å; V42-F89 HydrophobicContact CG1-CE1 3.5Å; V42-F89 HydrophobicContact CG1-CZ 4.29Å; V42-F89 HydrophobicContact CG2-CE1 4.15Å; V42-F89 HydrophobicContact CG2-CZ 4.17Å; V42-F89 WeakPolarHBondContact O-CA 3.34Å; V42-R90 PolarHBondContact O-N 3.08Å; V42-F116 WeakPolarHBondContact CA-O 3.43Å; V42-F116 HydrophobicContact CG2-CB 4.39Å |
| 43 | A | 91.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 93.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | M41 T92 F116 F118 | M41-A43 HydrophobicContact CE-CB 3.88Å; A43-T92 HydrophobicContact CB-CG2 3.63Å; A43-F116 PolarHBondContact N-O 2.99Å; A43-F118 HydrophobicContact CB-CD1 3.82Å; A43-F118 HydrophobicContact CB-CD2 3.89Å; A43-F118 HydrophobicContact CB-CE1 3.55Å; A43-F118 HydrophobicContact CB-CE2 3.64Å; A43-F118 HydrophobicContact CB-CG 3.97Å; A43-F118 HydrophobicContact CB-CZ 3.44Å; A43-F118 VanDerWaalsContact CB-CZ 3.44Å; A43-F118 WeakPolarHBondContact O-CA 3.35Å |
| 44 | M | 90.3 | Very high | 79.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -143.3 | 149.1 | -171.8 | -68 | -66.2 | 172.8 | 0 | 0 | 111 | V42 L58 V63 R90 N91 A119 F399 | V42-M44 HydrophobicContact CG1-CG 4.04Å; M44-L58 HydrophobicContact SD-CB 4.17Å; M44-V63 HydrophobicContact CE-CG1 4.44Å; M44-V63 HydrophobicContact CE-CG2 4.24Å; M44-V63 HydrophobicContact SD-CG2 4.4Å; M44-R90 PolarHBondContact N-O 2.86Å; M44-R90 VanDerWaalsContact N-O 3.11Å; M44-N91 WeakPolarHBondContact O-CA 3.36Å; M44-A119 HydrophobicContact SD-CB 3.83Å; M44-F399 HydrophobicContact CE-CE1 3.81Å; M44-F399 HydrophobicContact CE-CE2 3.94Å; M44-F399 HydrophobicContact CE-CZ 3.19Å | ||
| 45 | P | 89.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | trans | -65.8 | 147.7 | 169.5 | 31.1 | -35.2 | 0 | 0 | 0 | 110.6 | L58 T59 R60 N91 A119 | P45-L58 VanDerWaalsContact CG-O 3.27Å; P45-L58 WeakPolarHBondContact CG-O 3.35Å; P45-T59 HydrophobicContact CG-CG2 4.49Å; P45-T59 CarbonylContact O-C 3.13Å; P45-T59 VanDerWaalsContact O-CA 3.28Å; P45-T59 WeakPolarHBondContact O-CA 3Å; P45-R60 PolarHBondContact O-N 3.27Å; P45-N91 WeakPolarHBondContact CA-OD1 3.44Å; P45-A119 HydrophobicContact CG-CB 4.09Å | ||
| 46 | Y | 88.4 | Confident | 81.6 | Confident | 94 Ų | 94 | 48 Ų | 48 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -83.4 | -27.9 | 177.3 | -69.6 | -1.5 | 0 | 0 | 0 | 112.3 | R60 F89 N91 | Y46-R60 HydrophobicContact CD1-CB 3.9Å; Y46-R60 HydrophobicContact CD1-CG 4.49Å; Y46-R60 HydrophobicContact CE1-CB 4.41Å; Y46-F89 HydrophobicContact CE1-CB 4.27Å; Y46-F89 PolarHBondContact OH-O 3.29Å; Y46-N91 HydrophobicContact CD1-CB 3.92Å; Y46-N91 HydrophobicContact CD2-CB 3.97Å; Y46-N91 HydrophobicContact CE1-CB 3.89Å; Y46-N91 HydrophobicContact CE2-CB 3.93Å; Y46-N91 HydrophobicContact CG-CB 3.97Å |
| 47 | E | 82 | Confident | 81.9 | Confident | 160 Ų | 160 | 44.7 Ų | 44.7 | 75% | 0.748 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -111.6 | 151.2 | 178.9 | -63.9 | 177.3 | -172.9 | 0 | 0 | 109.9 | G49 T59 | E47-G49 PolarHBondContact O-N 3.49Å; E47-T59 WeakPolarHBondContact O-CG2 3.39Å |
| 48 | L | 72.2 | Confident | 81.9 | Confident | 76 Ų | 76 | 38.6 Ų | 38.6 | 40% | 0.398 | 21% | 0.205 | S | C | . | . | trans | -60.1 | -34.3 | -178 | -150.8 | 78.3 | 0 | 0 | 0 | 111.4 | N54 L57 T59 | L48-N54 WeakPolarHBondContact O-CB 3.08Å; L48-N54 PolarHBondContact O-ND2 3.18Å; L48-L57 HydrophobicContact CD1-CB 4.23Å; L48-L57 HydrophobicContact CD1-CD2 4.44Å; L48-L57 HydrophobicContact CD2-CD2 4.08Å; L48-L57 HydrophobicContact CG-CD2 4.12Å; L48-T59 VanDerWaalsContact CA-CG2 3.47Å; L48-T59 HydrophobicContact CB-CG2 4.29Å; L48-T59 HydrophobicContact CD1-CG2 3.8Å | ||
| 49 | G | 69.8 | Low | 81.9 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 45% | 0.454 | 21% | 0.205 | S | C | . | . | trans | 60 | -172.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E47 | E47-G49 PolarHBondContact O-N 3.49Š| ||
| 50 | P | 70.2 | Confident | 81.8 | Confident | 35 Ų | 35 | 41 Ų | 41 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -77.1 | 150.8 | 174.2 | 30.6 | -33.3 | 0 | 0 | 0 | 112.3 | W52 Q53 N54 | P50-W52 HydrophobicContact CB-CD2 3.6Å; P50-W52 HydrophobicContact CB-CE3 3.72Å; P50-W52 HydrophobicContact CB-CG 4.43Å; P50-W52 HydrophobicContact CB-CH2 3.36Å; P50-W52 HydrophobicContact CB-CZ2 3.21Å; P50-W52 HydrophobicContact CB-CZ3 3.62Å; P50-W52 HydrophobicContact CG-CD2 4.04Å; P50-W52 VanDerWaalsContact CG-CE2 3.42Å; P50-W52 HydrophobicContact CG-CH2 4.21Å; P50-W52 HydrophobicContact CG-CZ2 3.53Å; P50-W52 PolarHBondContact O-N 3.39Å; P50-W52 VanDerWaalsContact O-N 3.08Å; P50-Q53 HydrophobicContact CG-CB 4.04Å; P50-Q53 PolarHBondContact O-N 3.18Å; P50-N54 PolarHBondContact O-N 3.05Å | ||
| 51 | P | 65.7 | Low | 81.6 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 47% | 0.468 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.3 | -175 | -25.8 | 33.4 | 0 | 0 | 0 | 115.3 | Q53 N54 S55 | P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 2.92Å; P51-N54 CarbonylContact O-C 3.44Å; P51-S55 VanDerWaalsContact O-CA 3.26Å; P51-S55 WeakPolarHBondContact O-CA 3.34Å; P51-S55 PolarHBondContact O-N 3.21Å; P51-S55 PolarHBondContact O-OG 2.68Å; P51-S55 VanDerWaalsContact O-OG 3.12Å |
| 52 | W | 68.1 | Low | 81.3 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.6 | 178.1 | 59.4 | 84.4 | 0 | 0 | 0 | 114 | P50 F198 F232 | P50-W52 HydrophobicContact CB-CD2 3.6Å; P50-W52 HydrophobicContact CB-CE3 3.72Å; P50-W52 HydrophobicContact CB-CG 4.43Å; P50-W52 HydrophobicContact CB-CH2 3.36Å; P50-W52 HydrophobicContact CB-CZ2 3.21Å; P50-W52 HydrophobicContact CB-CZ3 3.62Å; P50-W52 HydrophobicContact CG-CD2 4.04Å; P50-W52 VanDerWaalsContact CG-CE2 3.42Å; P50-W52 HydrophobicContact CG-CH2 4.21Å; P50-W52 HydrophobicContact CG-CZ2 3.53Å; P50-W52 PolarHBondContact O-N 3.39Å; P50-W52 VanDerWaalsContact O-N 3.08Å; W52-F198 AromaticContact CD1-CD1 3.68Å; W52-F198 AromaticContact CD1-CE1 3.75Å; W52-F198 AromaticContact CD1-CG 3.99Å; W52-F198 AromaticContact NE1-CE1 3.6Å; W52-F198 AromaticContact NE1-CZ 3.68Å; W52-F232 HydrophobicContact CB-CE2 4.36Å; W52-F232 HydrophobicContact CB-CZ 4.22Å; W52-F232 AromaticContact CE3-CD1 3.77Å; W52-F232 HydrophobicContact CE3-CD1 3.77Å; W52-F232 AromaticContact CE3-CE1 3.54Å; W52-F232 HydrophobicContact CE3-CE1 3.54Å; W52-F232 HydrophobicContact CE3-CZ 4.09Å; W52-F232 HydrophobicContact CZ3-CD1 4.04Å; W52-F232 HydrophobicContact CZ3-CE1 4.07Å |
| 53 | Q | 71.2 | Confident | 81.3 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -27.2 | 177.3 | -173.2 | 175 | -1.5 | 0 | 0 | 112.2 | P50 P51 N93 C94 | P50-Q53 HydrophobicContact CG-CB 4.04Å; P50-Q53 PolarHBondContact O-N 3.18Å; P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 2.92Å; Q53-N93 PolarHBondContact NE2-O 3.31Å; Q53-C94 HydrophobicContact CG-CB 3.92Å; Q53-C94 WeakPolarHBondContact O-CB 3.43Å; Q53-C94 PolarHBondContact O-SG 2.89Å; Q53-C94 VanDerWaalsContact O-SG 3.39Å |
| 54 | N | 78.1 | Confident | 81.3 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | trans | -135.1 | 71.5 | 179 | -174.4 | 7.9 | 0 | 0 | 0 | 110.6 | L48 P50 P51 F56 L57 L58 | L48-N54 WeakPolarHBondContact O-CB 3.08Å; L48-N54 PolarHBondContact O-ND2 3.18Å; P50-N54 PolarHBondContact O-N 3.05Å; P51-N54 CarbonylContact O-C 3.44Å; N54-F56 PolarHBondContact O-N 2.89Å; N54-F56 VanDerWaalsContact O-N 3.14Å; N54-L57 PolarHBondContact O-N 2.78Å; N54-L57 PolarHBondContact OD1-N 2.96Å; N54-L58 PolarHBondContact ND2-N 3.45Å; N54-L58 PolarHBondContact ND2-O 2.9Å; N54-L58 PolarHBondContact OD1-N 2.76Å; N54-L58 VanDerWaalsContact OD1-N 3.11Å | ||
| 55 | S | 73.9 | Confident | 81.5 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | -172 | -53.6 | 0 | 0 | 0 | 0 | 114.7 | P51 | P51-S55 VanDerWaalsContact O-CA 3.26Å; P51-S55 WeakPolarHBondContact O-CA 3.34Å; P51-S55 PolarHBondContact O-N 3.21Å; P51-S55 PolarHBondContact O-OG 2.68Å; P51-S55 VanDerWaalsContact O-OG 3.12Å |
| 56 | F | 79.1 | Confident | 81.7 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1.1 | 176.6 | -58.3 | -90.6 | 0 | 0 | 0 | 112.9 | N54 L58 I144 E202 H323 F395 | N54-F56 PolarHBondContact O-N 2.89Å; N54-F56 VanDerWaalsContact O-N 3.14Å; F56-L58 HydrophobicContact CB-CD1 4.1Å; F56-L58 HydrophobicContact CB-CG 3.89Å; F56-L58 PolarHBondContact O-N 3.05Å; F56-L58 VanDerWaalsContact O-N 3.1Å; F56-I144 HydrophobicContact CB-CG2 4.05Å; F56-I144 HydrophobicContact CD1-CG2 3.76Å; F56-I144 HydrophobicContact CD2-CB 4.13Å; F56-I144 HydrophobicContact CD2-CD1 4.46Å; F56-I144 HydrophobicContact CD2-CG2 3.71Å; F56-I144 HydrophobicContact CE1-CB 4.41Å; F56-I144 HydrophobicContact CE1-CG2 4.09Å; F56-I144 HydrophobicContact CE2-CB 4.02Å; F56-I144 HydrophobicContact CE2-CD1 4.48Å; F56-I144 HydrophobicContact CE2-CG2 4.07Å; F56-I144 HydrophobicContact CG-CB 4.41Å; F56-I144 HydrophobicContact CG-CG2 3.57Å; F56-I144 HydrophobicContact CZ-CB 4.17Å; F56-I144 HydrophobicContact CZ-CG2 4.25Å; F56-E202 HydrophobicContact CE2-CG 4.09Å; F56-E202 HydrophobicContact CZ-CG 4.24Å; F56-E202 WeakPolarHBondContact CZ-OE2 3.37Å; F56-H323 AromaticContact CD1-CD2 3.38Å; F56-H323 WeakPolarHBondContact CD1-CD2 3.41Å; F56-H323 AromaticContact CE1-CD2 3.03Å; F56-H323 WeakPolarHBondContact CE1-CD2 3.39Å; F56-H323 AromaticContact CE1-NE2 3.33Å; F56-H323 VanDerWaalsContact CE1-NE2 3.33Å; F56-H323 WeakPolarHBondContact CE1-NE2 3.41Å; F56-H323 AromaticContact CZ-CD2 3.49Å; F56-H323 VanDerWaalsContact CZ-CD2 3.49Å; F56-H323 WeakPolarHBondContact CZ-CD2 2.91Å; F56-H323 AromaticContact CZ-NE2 3.34Å; F56-H323 VanDerWaalsContact CZ-NE2 3.34Å; F56-H323 WeakPolarHBondContact CZ-NE2 3.38Å; F56-F395 AromaticContact CD1-CD1 3.69Å; F56-F395 HydrophobicContact CD1-CD1 3.69Å; F56-F395 HydrophobicContact CD1-CD2 4.12Å; F56-F395 AromaticContact CD1-CE1 3.45Å; F56-F395 HydrophobicContact CD1-CE1 3.45Å; F56-F395 VanDerWaalsContact CD1-CE1 3.45Å; F56-F395 AromaticContact CD1-CE2 3.88Å; F56-F395 HydrophobicContact CD1-CE2 3.88Å; F56-F395 HydrophobicContact CD1-CG 4.04Å; F56-F395 AromaticContact CD1-CZ 3.56Å; F56-F395 HydrophobicContact CD1-CZ 3.56Å; F56-F395 HydrophobicContact CE1-CD1 4.04Å; F56-F395 AromaticContact CE1-CE1 3.35Å; F56-F395 HydrophobicContact CE1-CE1 3.35Å; F56-F395 HydrophobicContact CE1-CE2 4.19Å; F56-F395 AromaticContact CE1-CZ 3.45Å; F56-F395 HydrophobicContact CE1-CZ 3.45Å; F56-F395 VanDerWaalsContact CE1-CZ 3.45Å |
| 57 | L | 79 | Confident | 82 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | trans | 54.8 | 27.7 | -179.2 | -55.2 | 175.2 | 0 | 0 | 0 | 113.6 | L48 N54 | L48-L57 HydrophobicContact CD1-CB 4.23Å; L48-L57 HydrophobicContact CD1-CD2 4.44Å; L48-L57 HydrophobicContact CD2-CD2 4.08Å; L48-L57 HydrophobicContact CG-CD2 4.12Å; N54-L57 PolarHBondContact O-N 2.78Å; N54-L57 PolarHBondContact OD1-N 2.96Å | ||
| 58 | L | 86.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -83.1 | 121.1 | -178.3 | -66.1 | 179 | 0 | 0 | 0 | 110 | M44 P45 N54 F56 V63 A119 I144 F395 T396 F399 | M44-L58 HydrophobicContact SD-CB 4.17Å; P45-L58 VanDerWaalsContact CG-O 3.27Å; P45-L58 WeakPolarHBondContact CG-O 3.35Å; N54-L58 PolarHBondContact ND2-N 3.45Å; N54-L58 PolarHBondContact ND2-O 2.9Å; N54-L58 PolarHBondContact OD1-N 2.76Å; N54-L58 VanDerWaalsContact OD1-N 3.11Å; F56-L58 HydrophobicContact CB-CD1 4.1Å; F56-L58 HydrophobicContact CB-CG 3.89Å; F56-L58 PolarHBondContact O-N 3.05Å; F56-L58 VanDerWaalsContact O-N 3.1Å; L58-V63 HydrophobicContact CB-CG2 4.37Å; L58-V63 HydrophobicContact CD2-CG2 4.04Å; L58-A119 HydrophobicContact CB-CB 3.99Å; L58-I144 HydrophobicContact CD1-CG2 3.5Å; L58-F395 HydrophobicContact CD2-CB 4.33Å; L58-T396 HydrophobicContact CD2-CG2 3.95Å; L58-F399 HydrophobicContact CD1-CE2 4.11Å; L58-F399 HydrophobicContact CD2-CE2 4.38Å | ||
| 59 | T | 89.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | trans | -135.2 | 170.1 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | P45 E47 L48 S61 V62 V63 | P45-T59 HydrophobicContact CG-CG2 4.49Å; P45-T59 CarbonylContact O-C 3.13Å; P45-T59 VanDerWaalsContact O-CA 3.28Å; P45-T59 WeakPolarHBondContact O-CA 3Å; E47-T59 WeakPolarHBondContact O-CG2 3.39Å; L48-T59 VanDerWaalsContact CA-CG2 3.47Å; L48-T59 HydrophobicContact CB-CG2 4.29Å; L48-T59 HydrophobicContact CD1-CG2 3.8Å; T59-S61 VanDerWaalsContact C-N 3.3Å; T59-S61 PolarHBondContact O-N 2.85Å; T59-S61 PolarHBondContact OG1-OG 3.34Å; T59-S61 VanDerWaalsContact OG1-OG 3.08Å; T59-V62 PolarHBondContact O-N 3.47Å; T59-V62 VanDerWaalsContact O-N 3.14Å; T59-V62 WeakPolarHBondContact OG1-CG2 3.44Å; T59-V63 WeakPolarHBondContact O-CG2 3.33Å; T59-V63 PolarHBondContact O-N 3.42Å | ||
| 60 | R | 91.3 | Very high | 84.7 | Confident | 76 Ų | 76 | 27.3 Ų | 27.3 | 29% | 0.287 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -53.4 | -45.4 | 172.8 | -179.5 | 175.9 | 179.4 | -172.7 | -2.3 | 112.8 | P45 Y46 V62 V63 E64 F89 F380 | P45-R60 PolarHBondContact O-N 3.27Å; Y46-R60 HydrophobicContact CD1-CB 3.9Å; Y46-R60 HydrophobicContact CD1-CG 4.49Å; Y46-R60 HydrophobicContact CE1-CB 4.41Å; R60-V62 PolarHBondContact O-N 2.99Å; R60-V63 PolarHBondContact O-N 3.29Å; R60-E64 HydrophobicContact CG-CB 4.38Å; R60-E64 VanDerWaalsContact CG-OE2 3.32Å; R60-E64 WeakPolarHBondContact CG-OE2 3.19Å; R60-E64 IonicContact CZ-OE2 2.77Å; R60-E64 IonicContact NE-OE2 3.68Å; R60-E64 PolarHBondContact NE-OE2 3.01Å; R60-E64 IonicContact NH2-OE1 2.75Å; R60-E64 IonicContact NH2-OE2 3.24Å; R60-E64 PolarHBondContact NH2-OE2 3.37Å; R60-E64 VanDerWaalsContact NH2-OE2 3.16Å; R60-E64 WeakPolarHBondContact O-CB 3.36Å; R60-E64 PolarHBondContact O-N 3.07Å; R60-F89 HydrophobicContact CG-CD1 3.82Å; R60-F89 HydrophobicContact CG-CE1 4.14Å; R60-F89 HydrophobicContact CG-CG 4.36Å; R60-F380 HydrophobicContact CG-CZ 4.36Å |
| 61 | S | 88.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -22.9 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | T59 P65 | T59-S61 VanDerWaalsContact C-N 3.3Å; T59-S61 PolarHBondContact O-N 2.85Å; T59-S61 PolarHBondContact OG1-OG 3.34Å; T59-S61 VanDerWaalsContact OG1-OG 3.08Å; S61-P65 WeakPolarHBondContact O-CD 3.08Å; S61-P65 WeakPolarHBondContact O-CG 3.25Å |
| 62 | V | 89 | Confident | 86.9 | Confident | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -86.8 | -43.8 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | T59 R60 Y382 Y390 T396 | T59-V62 PolarHBondContact O-N 3.47Å; T59-V62 VanDerWaalsContact O-N 3.14Å; T59-V62 WeakPolarHBondContact OG1-CG2 3.44Å; R60-V62 PolarHBondContact O-N 2.99Å; V62-Y382 HydrophobicContact CG2-CE2 3.75Å; V62-Y390 PolarHBondContact O-OH 3.25Å; V62-T396 HydrophobicContact CG1-CG2 3.37Å |
| 63 | V | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -88.2 | -34.5 | -170 | 176.8 | 0 | 0 | 0 | 0 | 112.9 | V42 M44 L58 T59 R60 V66 I67 F399 | V42-V63 HydrophobicContact CG1-CG1 4.48Å; M44-V63 HydrophobicContact CE-CG1 4.44Å; M44-V63 HydrophobicContact CE-CG2 4.24Å; M44-V63 HydrophobicContact SD-CG2 4.4Å; L58-V63 HydrophobicContact CB-CG2 4.37Å; L58-V63 HydrophobicContact CD2-CG2 4.04Å; T59-V63 WeakPolarHBondContact O-CG2 3.33Å; T59-V63 PolarHBondContact O-N 3.42Å; R60-V63 PolarHBondContact O-N 3.29Å; V63-V66 PolarHBondContact O-N 2.88Å; V63-I67 HydrophobicContact CG1-CD1 3.54Å; V63-I67 HydrophobicContact CG1-CG1 3.95Å; V63-I67 PolarHBondContact O-N 3.01Å; V63-I67 VanDerWaalsContact O-N 3.08Å; V63-F399 HydrophobicContact CG1-CD1 4.18Å; V63-F399 HydrophobicContact CG1-CD2 3.86Å; V63-F399 HydrophobicContact CG1-CE1 4.34Å; V63-F399 HydrophobicContact CG1-CE2 4.01Å; V63-F399 HydrophobicContact CG1-CG 3.98Å; V63-F399 HydrophobicContact CG1-CZ 4.29Å; V63-F399 HydrophobicContact CG2-CD2 4.17Å; V63-F399 HydrophobicContact CG2-CE2 3.87Å |
| 64 | E | 93 | Very high | 89 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.056 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | -175.2 | -177.3 | 163.9 | -178.6 | 0 | 0 | 114.2 | R60 V66 I67 T68 F89 K379 F380 | R60-E64 HydrophobicContact CG-CB 4.38Å; R60-E64 VanDerWaalsContact CG-OE2 3.32Å; R60-E64 WeakPolarHBondContact CG-OE2 3.19Å; R60-E64 IonicContact CZ-OE2 2.77Å; R60-E64 IonicContact NE-OE2 3.68Å; R60-E64 PolarHBondContact NE-OE2 3.01Å; R60-E64 IonicContact NH2-OE1 2.75Å; R60-E64 IonicContact NH2-OE2 3.24Å; R60-E64 PolarHBondContact NH2-OE2 3.37Å; R60-E64 VanDerWaalsContact NH2-OE2 3.16Å; R60-E64 WeakPolarHBondContact O-CB 3.36Å; R60-E64 PolarHBondContact O-N 3.07Å; E64-V66 VanDerWaalsContact C-N 3.27Å; E64-V66 PolarHBondContact O-N 3.36Å; E64-I67 PolarHBondContact O-N 2.89Å; E64-T68 VanDerWaalsContact O-CB 3.32Å; E64-T68 WeakPolarHBondContact O-CB 3.46Å; E64-T68 PolarHBondContact O-N 2.99Å; E64-T68 PolarHBondContact O-OG1 3.43Å; E64-F89 HydrophobicContact CB-CE1 3.81Å; E64-F89 HydrophobicContact CB-CE2 4.37Å; E64-F89 HydrophobicContact CB-CZ 3.54Å; E64-F89 VanDerWaalsContact CD-CE2 3.47Å; E64-F89 HydrophobicContact CG-CE1 4.17Å; E64-F89 HydrophobicContact CG-CE2 3.81Å; E64-F89 HydrophobicContact CG-CZ 3.42Å; E64-F89 VanDerWaalsContact CG-CZ 3.42Å; E64-K379 VanDerWaalsContact CD-NZ 3.29Å; E64-K379 WeakPolarHBondContact OE1-CE 3.05Å; E64-K379 IonicContact OE1-NZ 3.71Å; E64-K379 PolarHBondContact OE1-NZ 2.86Å; E64-F380 HydrophobicContact CB-CE2 4.13Å; E64-F380 HydrophobicContact CB-CZ 4.04Å; E64-F380 HydrophobicContact CG-CE2 4.46Å; E64-F380 HydrophobicContact CG-CZ 4.27Å; E64-F380 WeakPolarHBondContact OE2-CZ 3.34Å |
| 65 | P | 93.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.1 | -25.2 | 36.5 | 0 | 0 | 0 | 112.4 | S61 L69 V372 L375 A376 F380 | S61-P65 WeakPolarHBondContact O-CD 3.08Å; S61-P65 WeakPolarHBondContact O-CG 3.25Å; P65-L69 WeakPolarHBondContact O-CB 3.43Å; P65-L69 PolarHBondContact O-N 2.75Å; P65-V372 HydrophobicContact CB-CG1 4.29Å; P65-L375 HydrophobicContact CB-CB 3.97Å; P65-A376 HydrophobicContact CB-CB 4.19Å; P65-A376 HydrophobicContact CG-CB 3.74Å; P65-F380 HydrophobicContact CG-CD2 4.22Å; P65-F380 HydrophobicContact CG-CE2 4.02Å |
| 66 | V | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -47.5 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | V63 E64 T68 L69 A70 F368 V372 T396 F399 | V63-V66 PolarHBondContact O-N 2.88Å; E64-V66 VanDerWaalsContact C-N 3.27Å; E64-V66 PolarHBondContact O-N 3.36Å; V66-T68 VanDerWaalsContact C-N 3.31Å; V66-T68 PolarHBondContact O-N 2.78Å; V66-L69 PolarHBondContact O-N 2.82Å; V66-A70 WeakPolarHBondContact O-CB 3.49Å; V66-A70 PolarHBondContact O-N 2.93Å; V66-F368 HydrophobicContact CG1-CE2 4.25Å; V66-F368 HydrophobicContact CG1-CZ 3.97Å; V66-V372 HydrophobicContact CG2-CG1 3.71Å; V66-V372 HydrophobicContact CG2-CG2 4.09Å; V66-T396 WeakPolarHBondContact CG1-O 3.4Å; V66-F399 HydrophobicContact CG1-CB 4.28Å |
| 67 | I | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 178.2 | -67.3 | -179.9 | 0 | 0 | 0 | 110.7 | V42 V63 E64 L69 A70 I71 L87 F399 I403 | V42-I67 HydrophobicContact CG1-CD1 3.85Å; V42-I67 HydrophobicContact CG2-CD1 3.83Å; V63-I67 HydrophobicContact CG1-CD1 3.54Å; V63-I67 HydrophobicContact CG1-CG1 3.95Å; V63-I67 PolarHBondContact O-N 3.01Å; V63-I67 VanDerWaalsContact O-N 3.08Å; E64-I67 PolarHBondContact O-N 2.89Å; I67-L69 VanDerWaalsContact C-N 3.35Å; I67-L69 PolarHBondContact O-N 2.95Å; I67-A70 PolarHBondContact O-N 3.25Å; I67-I71 HydrophobicContact CG2-CD1 3.85Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.48Å; I67-I71 PolarHBondContact O-N 3.25Å; I67-L87 HydrophobicContact CG2-CD1 3.92Å; I67-L87 HydrophobicContact CG2-CD2 3.78Å; I67-F399 HydrophobicContact CD1-CD1 4.37Å; I67-F399 HydrophobicContact CG1-CB 4.32Å; I67-I403 HydrophobicContact CG2-CD1 4.07Å; I67-I403 HydrophobicContact CG2-CG1 4.33Å |
| 68 | T | 92.8 | Very high | 90.8 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 30% | 0.301 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 178.4 | -56 | 0 | 0 | 0 | 0 | 111 | E64 V66 R72 | E64-T68 VanDerWaalsContact O-CB 3.32Å; E64-T68 WeakPolarHBondContact O-CB 3.46Å; E64-T68 PolarHBondContact O-N 2.99Å; E64-T68 PolarHBondContact O-OG1 3.43Å; V66-T68 VanDerWaalsContact C-N 3.31Å; V66-T68 PolarHBondContact O-N 2.78Å; T68-R72 WeakPolarHBondContact O-CB 3.45Å; T68-R72 PolarHBondContact O-N 3.15Å; T68-R72 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 93.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.3 | -174.3 | 61.1 | 0 | 0 | 0 | 111.6 | P65 V66 I67 I71 R72 D73 F368 D371 V372 L375 Y400 | P65-L69 WeakPolarHBondContact O-CB 3.43Å; P65-L69 PolarHBondContact O-N 2.75Å; V66-L69 PolarHBondContact O-N 2.82Å; I67-L69 VanDerWaalsContact C-N 3.35Å; I67-L69 PolarHBondContact O-N 2.95Å; L69-I71 PolarHBondContact O-N 2.97Å; L69-R72 WeakPolarHBondContact O-CB 3.19Å; L69-R72 PolarHBondContact O-N 2.88Å; L69-D73 PolarHBondContact O-N 3.2Å; L69-F368 HydrophobicContact CD2-CD2 3.68Å; L69-F368 HydrophobicContact CD2-CE2 3.95Å; L69-D371 HydrophobicContact CD2-CB 3.97Å; L69-V372 HydrophobicContact CD2-CG2 3.68Å; L69-L375 HydrophobicContact CB-CD1 3.89Å; L69-L375 HydrophobicContact CD1-CD1 4.09Å; L69-L375 HydrophobicContact CG-CD1 4.4Å; L69-Y400 HydrophobicContact CG-CE2 4.44Å |
| 70 | A | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V66 I67 D73 V74 Y400 I403 | V66-A70 WeakPolarHBondContact O-CB 3.49Å; V66-A70 PolarHBondContact O-N 2.93Å; I67-A70 PolarHBondContact O-N 3.25Å; A70-D73 PolarHBondContact O-N 2.84Å; A70-V74 VanDerWaalsContact O-CG2 3.3Å; A70-V74 WeakPolarHBondContact O-CG2 3.16Å; A70-V74 PolarHBondContact O-N 3.44Å; A70-Y400 HydrophobicContact CB-CD2 3.47Å; A70-Y400 VanDerWaalsContact CB-CD2 3.47Å; A70-Y400 HydrophobicContact CB-CE2 3.97Å; A70-Y400 HydrophobicContact CB-CG 3.95Å; A70-I403 HydrophobicContact CB-CB 3.76Å; A70-I403 HydrophobicContact CB-CG1 4.25Å; A70-I403 HydrophobicContact CB-CG2 3.66Å |
| 71 | I | 92.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.1 | -70.4 | 170.3 | 0 | 0 | 0 | 110.8 | I67 L69 D73 V74 V75 F85 L87 I403 | I67-I71 HydrophobicContact CG2-CD1 3.85Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 WeakPolarHBondContact O-CG1 3.48Å; I67-I71 PolarHBondContact O-N 3.25Å; L69-I71 PolarHBondContact O-N 2.97Å; I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 3.5Å; I71-V74 PolarHBondContact O-N 2.61Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.8Å; I71-V75 VanDerWaalsContact O-N 3.07Å; I71-F85 HydrophobicContact CD1-CB 3.97Å; I71-F85 HydrophobicContact CD1-CG 4.45Å; I71-F85 HydrophobicContact CG1-CB 4.49Å; I71-F85 HydrophobicContact CG1-CD2 4.42Å; I71-F85 HydrophobicContact CG2-CB 4.38Å; I71-F85 HydrophobicContact CG2-CD2 4.07Å; I71-L87 HydrophobicContact CD1-CD1 3.96Å; I71-L87 HydrophobicContact CD1-CD2 3.69Å; I71-L87 HydrophobicContact CD1-CG 3.96Å; I71-I403 HydrophobicContact CG1-CG2 4.04Å |
| 72 | R | 91.5 | Very high | 88.8 | Confident | 136 Ų | 136 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.9 | 177.9 | -178.2 | 171.5 | 172 | -2.6 | 110.9 | T68 L69 V75 Q76 | T68-R72 WeakPolarHBondContact O-CB 3.45Å; T68-R72 PolarHBondContact O-N 3.15Å; T68-R72 VanDerWaalsContact O-N 3.08Å; L69-R72 WeakPolarHBondContact O-CB 3.19Å; L69-R72 PolarHBondContact O-N 2.88Å; R72-V75 PolarHBondContact O-N 2.94Å; R72-Q76 HydrophobicContact CG-CG 4.36Å; R72-Q76 WeakPolarHBondContact O-CB 3.42Å; R72-Q76 WeakPolarHBondContact O-CG 3.31Å; R72-Q76 PolarHBondContact O-N 3.24Å |
| 73 | D | 91.4 | Very high | 88.5 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -38.9 | -179.2 | -74.7 | 0.6 | 0 | 0 | 0 | 112.5 | L69 A70 I71 V75 Q76 K77 Y400 | L69-D73 PolarHBondContact O-N 3.2Å; A70-D73 PolarHBondContact O-N 2.84Å; I71-D73 VanDerWaalsContact C-N 3.3Å; I71-D73 PolarHBondContact O-N 3.5Å; D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 2.96Å; D73-Q76 PolarHBondContact O-N 3.43Å; D73-K77 WeakPolarHBondContact O-CB 3.26Å; D73-K77 WeakPolarHBondContact O-CG 3.15Å; D73-K77 PolarHBondContact O-N 2.96Å; D73-Y400 HydrophobicContact CB-CE2 4.35Å; D73-Y400 WeakPolarHBondContact CB-OH 3.39Å; D73-Y400 WeakPolarHBondContact OD2-CE2 3.46Å; D73-Y400 PolarHBondContact OD2-OH 3.33Å |
| 74 | V | 90.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 174.8 | 162.7 | 0 | 0 | 0 | 0 | 111.2 | A70 I71 G78 I79 I80 F85 I403 L404 A407 | A70-V74 VanDerWaalsContact O-CG2 3.3Å; A70-V74 WeakPolarHBondContact O-CG2 3.16Å; A70-V74 PolarHBondContact O-N 3.44Å; I71-V74 PolarHBondContact O-N 2.61Å; V74-G78 PolarHBondContact O-N 2.88Å; V74-I79 HydrophobicContact CG1-CB 4.19Å; V74-I79 HydrophobicContact CG2-CD1 4.49Å; V74-I79 PolarHBondContact O-N 2.87Å; V74-I79 VanDerWaalsContact O-N 3.11Å; V74-I80 HydrophobicContact CG1-CD1 4.32Å; V74-F85 HydrophobicContact CG1-CE2 4.32Å; V74-I403 HydrophobicContact CG2-CG2 4.32Å; V74-L404 HydrophobicContact CG2-CD1 4.12Å; V74-A407 HydrophobicContact CB-CB 4.33Å; V74-A407 HydrophobicContact CG1-CB 3.51Å; V74-A407 HydrophobicContact CG2-CB 3.77Å |
| 75 | V | 88 | Confident | 88.2 | Confident | 82 Ų | 82 | 53 Ų | 53 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71 | -45.9 | 177.9 | 174 | 0 | 0 | 0 | 0 | 111 | I71 R72 D73 K77 G78 | I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.8Å; I71-V75 VanDerWaalsContact O-N 3.07Å; R72-V75 PolarHBondContact O-N 2.94Å; D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 2.96Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.45Å; V75-G78 PolarHBondContact O-N 3.29Å; V75-G78 VanDerWaalsContact O-N 3.1Å |
| 76 | Q | 87.2 | Confident | 88.1 | Confident | 129 Ų | 129 | 54.5 Ų | 54.5 | 60% | 0.603 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.4 | -34.3 | 179.9 | -75.7 | -172.3 | -14 | 0 | 0 | 113 | R72 D73 G78 | R72-Q76 HydrophobicContact CG-CG 4.36Å; R72-Q76 WeakPolarHBondContact O-CB 3.42Å; R72-Q76 WeakPolarHBondContact O-CG 3.31Å; R72-Q76 PolarHBondContact O-N 3.24Å; D73-Q76 PolarHBondContact O-N 3.43Å; Q76-G78 PolarHBondContact O-N 2.71Å |
| 77 | K | 87.4 | Confident | 87.9 | Confident | 126 Ų | 126 | 57 Ų | 57 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.7 | 175.8 | -69.5 | 171.8 | -177.8 | 170.9 | 0 | 113.1 | D73 V75 I79 Y400 | D73-K77 WeakPolarHBondContact O-CB 3.26Å; D73-K77 WeakPolarHBondContact O-CG 3.15Å; D73-K77 PolarHBondContact O-N 2.96Å; V75-K77 VanDerWaalsContact C-N 3.32Å; V75-K77 PolarHBondContact O-N 3.45Å; K77-I79 HydrophobicContact CB-CD1 4.11Å; K77-I79 HydrophobicContact CB-CG1 3.91Å; K77-I79 HydrophobicContact CD-CD1 4.32Å; K77-I79 PolarHBondContact O-N 3.48Å; K77-Y400 PolarHBondContact NZ-OH 2.69Å |
| 78 | G | 85.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 26.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V74 V75 Q76 I80 | V74-G78 PolarHBondContact O-N 2.88Å; V75-G78 PolarHBondContact O-N 3.29Å; V75-G78 VanDerWaalsContact O-N 3.1Å; Q76-G78 PolarHBondContact O-N 2.71Å; G78-I80 VanDerWaalsContact C-N 3.31Å |
| 79 | I | 85.9 | Confident | 87.8 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 18% | 0.179 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -69.3 | -35.2 | -179.1 | -63.1 | 176 | 0 | 0 | 0 | 110.4 | V74 K77 L404 A407 I408 N411 | V74-I79 HydrophobicContact CG1-CB 4.19Å; V74-I79 HydrophobicContact CG2-CD1 4.49Å; V74-I79 PolarHBondContact O-N 2.87Å; V74-I79 VanDerWaalsContact O-N 3.11Å; K77-I79 HydrophobicContact CB-CD1 4.11Å; K77-I79 HydrophobicContact CB-CG1 3.91Å; K77-I79 HydrophobicContact CD-CD1 4.32Å; K77-I79 PolarHBondContact O-N 3.48Å; I79-L404 HydrophobicContact CD1-CD1 3.34Å; I79-A407 HydrophobicContact CG2-CB 4.17Å; I79-I408 HydrophobicContact CG2-CG1 4Å; I79-N411 WeakPolarHBondContact O-CB 3.39Å; I79-N411 PolarHBondContact O-ND2 3.02Å |
| 80 | I | 82.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -128.5 | 122.2 | 170.6 | -68.6 | 165.5 | 0 | 0 | 0 | 108.3 | V74 G78 I83 F85 A407 L410 N411 | V74-I80 HydrophobicContact CG1-CD1 4.32Å; G78-I80 VanDerWaalsContact C-N 3.31Å; I80-I83 HydrophobicContact CG2-CB 3.55Å; I80-I83 HydrophobicContact CG2-CD1 3.91Å; I80-I83 HydrophobicContact CG2-CG1 3.82Å; I80-F85 HydrophobicContact CD1-CE2 3.93Å; I80-F85 HydrophobicContact CD1-CZ 3.53Å; I80-A407 HydrophobicContact CD1-CB 3.6Å; I80-A407 WeakPolarHBondContact CD1-O 3.44Å; I80-A407 HydrophobicContact CG1-CB 4.35Å; I80-A407 WeakPolarHBondContact CG1-O 3.46Å; I80-L410 HydrophobicContact CD1-CB 4.29Å; I80-L410 HydrophobicContact CD1-CD2 3.89Å; I80-L410 HydrophobicContact CD1-CG 4.37Å; I80-N411 HydrophobicContact CG1-CB 3.98Å |
| 81 | N | 69.1 | Low | 87.5 | Confident | 113 Ų | 113 | 62 Ų | 62 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -102.8 | 141.2 | 171.6 | -60.4 | -34.6 | 0 | 0 | 0 | 108.3 | I83 | N81-I83 PolarHBondContact O-N 3.18Š|
| 82 | D | 77.4 | Confident | 87.1 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 70 | 6.8 | 176.7 | -58.6 | -38.2 | 0 | 0 | 0 | 119.4 | R36 | R36-D82 WeakPolarHBondContact CB-O 3.37Å; R36-D82 WeakPolarHBondContact CG-O 3.19Å |
| 83 | I | 82.9 | Confident | 86.8 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | trans | -117.2 | 129.2 | 173.6 | -51.1 | 175.2 | 0 | 0 | 0 | 110.8 | R36 I38 I80 N81 L410 V414 | R36-I83 WeakPolarHBondContact O-CA 3.43Å; I38-I83 HydrophobicContact CB-CG2 4.37Å; I38-I83 HydrophobicContact CG1-CG2 3.51Å; I80-I83 HydrophobicContact CG2-CB 3.55Å; I80-I83 HydrophobicContact CG2-CD1 3.91Å; I80-I83 HydrophobicContact CG2-CG1 3.82Å; N81-I83 PolarHBondContact O-N 3.18Å; I83-L410 HydrophobicContact CD1-CD2 4.35Å; I83-L410 HydrophobicContact CD1-CG 4.46Å; I83-V414 HydrophobicContact CD1-CG2 4.03Å | ||
| 84 | R | 87 | Confident | 86.4 | Confident | 166 Ų | 166 | 57.3 Ų | 57.3 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.1 | 175.9 | -165 | 179 | -164.2 | 169.7 | 3.8 | 110.9 | R36 R37 I38 | R36-R84 PolarHBondContact O-N 2.97Å; R37-R84 CarbonylContact C-O 3.48Å; R37-R84 WeakPolarHBondContact CA-O 3.25Å; I38-R84 PolarHBondContact N-O 3.28Å |
| 85 | F | 90.5 | Very high | 86 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.5 | 171 | -64.3 | -79.1 | 0 | 0 | 0 | 110.4 | I38 V40 I71 V74 I80 Y406 L410 | I38-F85 HydrophobicContact CB-CD1 4.13Å; I38-F85 HydrophobicContact CB-CE1 4.41Å; I38-F85 HydrophobicContact CG2-CD1 4.13Å; I38-F85 HydrophobicContact CG2-CE1 4.28Å; V40-F85 HydrophobicContact CG2-CB 4.33Å; V40-F85 HydrophobicContact CG2-CD1 3.78Å; I71-F85 HydrophobicContact CD1-CB 3.97Å; I71-F85 HydrophobicContact CD1-CG 4.45Å; I71-F85 HydrophobicContact CG1-CB 4.49Å; I71-F85 HydrophobicContact CG1-CD2 4.42Å; I71-F85 HydrophobicContact CG2-CB 4.38Å; I71-F85 HydrophobicContact CG2-CD2 4.07Å; V74-F85 HydrophobicContact CG1-CE2 4.32Å; I80-F85 HydrophobicContact CD1-CE2 3.93Å; I80-F85 HydrophobicContact CD1-CZ 3.53Å; F85-Y406 HydrophobicContact CE1-CD1 4.07Å; F85-Y406 AromaticContact CE1-CE1 3.89Å; F85-Y406 HydrophobicContact CE1-CE1 3.89Å; F85-L410 HydrophobicContact CE1-CD2 4.11Å; F85-L410 HydrophobicContact CZ-CD2 4.15Å |
| 86 | D | 91.2 | Very high | 85.9 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.2 | 173.6 | -66.3 | -29.9 | 0 | 0 | 0 | 108.6 | R37 I38 Q39 V40 H88 | R37-D86 WeakPolarHBondContact CD-OD2 3.39Å; I38-D86 PolarHBondContact O-N 2.93Å; Q39-D86 PolarHBondContact NE2-OD2 3.44Å; V40-D86 PolarHBondContact N-O 3.18Å; D86-H88 PolarHBondContact O-CD2 3.17Å |
| 87 | L | 91.5 | Very high | 85.9 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.8 | -177.2 | -65.1 | 177.6 | 0 | 0 | 0 | 111.7 | V40 V42 I67 I71 F89 | V40-L87 HydrophobicContact CB-CD2 3.84Å; V40-L87 HydrophobicContact CG1-CD2 3.79Å; V40-L87 HydrophobicContact CG2-CD2 4.45Å; V42-L87 HydrophobicContact CG2-CD2 4.18Å; I67-L87 HydrophobicContact CG2-CD1 3.92Å; I67-L87 HydrophobicContact CG2-CD2 3.78Å; I71-L87 HydrophobicContact CD1-CD1 3.96Å; I71-L87 HydrophobicContact CD1-CD2 3.69Å; I71-L87 HydrophobicContact CD1-CG 3.96Å; L87-F89 HydrophobicContact CB-CE2 4.01Å; L87-F89 HydrophobicContact CD1-CE2 4.16Å; L87-F89 HydrophobicContact CD1-CZ 4.5Å |
| 88 | H | 91.6 | Very high | 85.9 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 99.2 | 176.6 | -64.4 | -76.5 | 0 | 0 | 0 | 110.5 | Q39 V40 M41 V42 D86 | Q39-H88 PolarHBondContact OE1-NE2 2.88Å; V40-H88 PolarHBondContact O-N 3.42Å; M41-H88 CarbonylContact C-O 3.57Å; M41-H88 WeakPolarHBondContact CA-O 3.37Å; V42-H88 PolarHBondContact N-O 3.46Å; D86-H88 PolarHBondContact O-CD2 3.17Å |
| 89 | F | 91.5 | Very high | 86 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.2 | 173.8 | -70.2 | -93.2 | 0 | 0 | 0 | 110.5 | V42 Y46 R60 E64 L87 | V42-F89 HydrophobicContact CB-CD1 3.71Å; V42-F89 HydrophobicContact CB-CE1 3.67Å; V42-F89 HydrophobicContact CB-CG 4.29Å; V42-F89 HydrophobicContact CB-CZ 4.18Å; V42-F89 HydrophobicContact CG1-CD1 3.81Å; V42-F89 HydrophobicContact CG1-CE1 3.5Å; V42-F89 HydrophobicContact CG1-CZ 4.29Å; V42-F89 HydrophobicContact CG2-CE1 4.15Å; V42-F89 HydrophobicContact CG2-CZ 4.17Å; V42-F89 WeakPolarHBondContact O-CA 3.34Å; Y46-F89 HydrophobicContact CE1-CB 4.27Å; Y46-F89 PolarHBondContact OH-O 3.29Å; R60-F89 HydrophobicContact CG-CD1 3.82Å; R60-F89 HydrophobicContact CG-CE1 4.14Å; R60-F89 HydrophobicContact CG-CG 4.36Å; E64-F89 HydrophobicContact CB-CE1 3.81Å; E64-F89 HydrophobicContact CB-CE2 4.37Å; E64-F89 HydrophobicContact CB-CZ 3.54Å; E64-F89 VanDerWaalsContact CD-CE2 3.47Å; E64-F89 HydrophobicContact CG-CE1 4.17Å; E64-F89 HydrophobicContact CG-CE2 3.81Å; E64-F89 HydrophobicContact CG-CZ 3.42Å; E64-F89 VanDerWaalsContact CG-CZ 3.42Å; L87-F89 HydrophobicContact CB-CE2 4.01Å; L87-F89 HydrophobicContact CD1-CE2 4.16Å; L87-F89 HydrophobicContact CD1-CZ 4.5Å |
| 90 | R | 91.1 | Very high | 86.3 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.4 | 174.9 | -69.3 | -65.7 | -172.8 | -82.6 | -3.4 | 109.8 | M41 V42 M44 T92 Y102 | M41-R90 HydrophobicContact CE-CB 3.87Å; M41-R90 HydrophobicContact CE-CG 3.93Å; M41-R90 HydrophobicContact CG-CG 4.32Å; V42-R90 PolarHBondContact O-N 3.08Å; M44-R90 PolarHBondContact N-O 2.86Å; M44-R90 VanDerWaalsContact N-O 3.11Å; R90-T92 PolarHBondContact O-N 3.48Å; R90-Y102 HydrophobicContact CB-CG 4.5Å |
| 91 | N | 90.4 | Very high | 86.7 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | trans | -79 | 105.1 | 178.6 | -176.1 | 6.2 | 0 | 0 | 0 | 110.4 | M44 P45 Y46 N93 Y102 | M44-N91 WeakPolarHBondContact O-CA 3.36Å; P45-N91 WeakPolarHBondContact CA-OD1 3.44Å; Y46-N91 HydrophobicContact CD1-CB 3.92Å; Y46-N91 HydrophobicContact CD2-CB 3.97Å; Y46-N91 HydrophobicContact CE1-CB 3.89Å; Y46-N91 HydrophobicContact CE2-CB 3.93Å; Y46-N91 HydrophobicContact CG-CB 3.97Å; N91-N93 PolarHBondContact OD1-N 2.99Å; N91-Y102 WeakPolarHBondContact O-CD2 3.45Å; N91-Y102 WeakPolarHBondContact O-CE2 3.18Å | ||
| 92 | T | 84.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -89.1 | -13.4 | -175.3 | 61 | 0 | 0 | 0 | 0 | 113.1 | A43 R90 C94 S95 F118 | A43-T92 HydrophobicContact CB-CG2 3.63Å; R90-T92 PolarHBondContact O-N 3.48Å; T92-C94 PolarHBondContact O-N 3.4Å; T92-S95 PolarHBondContact O-N 2.97Å; T92-F118 HydrophobicContact CG2-CD1 3.46Å; T92-F118 VanDerWaalsContact CG2-CD1 3.46Å; T92-F118 HydrophobicContact CG2-CE1 3.22Å; T92-F118 HydrophobicContact CG2-CZ 4.25Å | ||
| 93 | N | 84.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 27.2 | -173.7 | -152.8 | 18.9 | 0 | 0 | 0 | 114 | Q53 N91 S95 L98 | Q53-N93 PolarHBondContact NE2-O 3.31Å; N91-N93 PolarHBondContact OD1-N 2.99Å; N93-S95 PolarHBondContact O-N 3.36Å; N93-L98 HydrophobicContact CB-CD1 4.11Å |
| 94 | C | 82.7 | Confident | 88.9 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 21.7 | -171.6 | -67 | 0 | 0 | 0 | 0 | 115.1 | Q53 T92 S120 | Q53-C94 HydrophobicContact CG-CB 3.92Å; Q53-C94 WeakPolarHBondContact O-CB 3.43Å; Q53-C94 PolarHBondContact O-SG 2.89Å; Q53-C94 VanDerWaalsContact O-SG 3.39Å; T92-C94 PolarHBondContact O-N 3.4Å; C94-S120 PolarHBondContact O-OG 2.91Å |
| 95 | S | 84 | Confident | 89.1 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | trans | -86.7 | 135.1 | -175.9 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | T92 N93 T97 L98 G99 A123 | T92-S95 PolarHBondContact O-N 2.97Å; N93-S95 PolarHBondContact O-N 3.36Å; S95-T97 PolarHBondContact O-N 3.23Å; S95-T97 PolarHBondContact OG-N 2.96Å; S95-T97 VanDerWaalsContact OG-N 3.1Å; S95-L98 PolarHBondContact OG-N 3.35Å; S95-L98 VanDerWaalsContact OG-N 3.15Å; S95-G99 PolarHBondContact O-N 2.71Å; S95-G99 VanDerWaalsContact O-N 3.14Å; S95-A123 VanDerWaalsContact O-CB 3.27Å; S95-A123 WeakPolarHBondContact O-CB 3.18Å | ||
| 96 | D | 84.6 | Confident | 89.1 | Confident | 101 Ų | 101 | 45.3 Ų | 45.3 | 54% | 0.54 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.9 | 171.6 | 65.5 | -11.3 | 0 | 0 | 0 | 113.9 | P100 | D96-P100 WeakPolarHBondContact O-CD 3.31Å; D96-P100 WeakPolarHBondContact O-CG 3.39Å |
| 97 | T | 86.9 | Confident | 89.1 | Confident | 96 Ų | 96 | 45.1 Ų | 45.1 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -51.4 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | S95 G99 P100 Y101 | S95-T97 PolarHBondContact O-N 3.23Å; S95-T97 PolarHBondContact OG-N 2.96Å; S95-T97 VanDerWaalsContact OG-N 3.1Å; T97-G99 PolarHBondContact O-N 3.46Å; T97-P100 WeakPolarHBondContact O-CD 3.46Å; T97-Y101 WeakPolarHBondContact O-CB 3.23Å; T97-Y101 PolarHBondContact O-N 2.94Å |
| 98 | L | 88.9 | Confident | 89 | Confident | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.4 | -35.8 | -179.2 | -65.3 | 173.7 | 0 | 0 | 0 | 112.2 | N93 S95 Y101 Y102 | N93-L98 HydrophobicContact CB-CD1 4.11Å; S95-L98 PolarHBondContact OG-N 3.35Å; S95-L98 VanDerWaalsContact OG-N 3.15Å; L98-Y101 WeakPolarHBondContact O-CB 3.33Å; L98-Y101 PolarHBondContact O-N 3.35Å; L98-Y102 HydrophobicContact CB-CD2 4.26Å; L98-Y102 HydrophobicContact CB-CE2 3.92Å; L98-Y102 HydrophobicContact CD2-CE2 4.42Å; L98-Y102 WeakPolarHBondContact O-CD2 3.42Å; L98-Y102 PolarHBondContact O-N 2.83Å |
| 99 | G | 87.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -54.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | S95 T97 Y101 Y102 A103 F118 | S95-G99 PolarHBondContact O-N 2.71Å; S95-G99 VanDerWaalsContact O-N 3.14Å; T97-G99 PolarHBondContact O-N 3.46Å; G99-Y101 PolarHBondContact O-N 3.15Å; G99-Y102 PolarHBondContact O-N 3.11Å; G99-A103 PolarHBondContact O-N 3.1Å; G99-A103 VanDerWaalsContact O-N 3.17Å; G99-F118 VanDerWaalsContact CA-CE1 3.46Å |
| 100 | P | 91.1 | Very high | 88.4 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 172.3 | -30.9 | 39.9 | 0 | 0 | 0 | 114 | D96 T97 Y102 A103 V104 P126 V127 | D96-P100 WeakPolarHBondContact O-CD 3.31Å; D96-P100 WeakPolarHBondContact O-CG 3.39Å; T97-P100 WeakPolarHBondContact O-CD 3.46Å; P100-Y102 PolarHBondContact O-N 2.97Å; P100-A103 PolarHBondContact O-N 3.18Å; P100-V104 WeakPolarHBondContact O-CG2 3.34Å; P100-V104 PolarHBondContact O-N 3.28Å; P100-P126 HydrophobicContact CB-CB 4.32Å; P100-P126 HydrophobicContact CB-CG 4.46Å; P100-P126 HydrophobicContact CG-CB 3.54Å; P100-P126 HydrophobicContact CG-CG 3.24Å; P100-V127 HydrophobicContact CB-CG2 4.41Å; P100-V127 HydrophobicContact CG-CG2 4.23Å |
| 101 | Y | 92.5 | Very high | 88.1 | Confident | 130 Ų | 130 | 49.2 Ų | 49.2 | 51% | 0.51 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.8 | -52.7 | 178.4 | 170.8 | -90.5 | 0 | 0 | 0 | 111.3 | T97 L98 G99 A103 V104 E105 | T97-Y101 WeakPolarHBondContact O-CB 3.23Å; T97-Y101 PolarHBondContact O-N 2.94Å; L98-Y101 WeakPolarHBondContact O-CB 3.33Å; L98-Y101 PolarHBondContact O-N 3.35Å; G99-Y101 PolarHBondContact O-N 3.15Å; Y101-A103 VanDerWaalsContact C-N 3.32Å; Y101-A103 PolarHBondContact O-N 3.01Å; Y101-V104 PolarHBondContact O-N 3.3Å; Y101-E105 WeakPolarHBondContact O-CB 3.06Å; Y101-E105 PolarHBondContact O-N 2.93Å; Y101-E105 PolarHBondContact OH-OE1 2.85Å; Y101-E105 VanDerWaalsContact OH-OE1 3.11Å |
| 102 | Y | 91.1 | Very high | 88.1 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.3 | -31.3 | -179.5 | -68.4 | -55 | 0 | 0 | 0 | 113.4 | R90 N91 L98 G99 P100 A106 | R90-Y102 HydrophobicContact CB-CG 4.5Å; N91-Y102 WeakPolarHBondContact O-CD2 3.45Å; N91-Y102 WeakPolarHBondContact O-CE2 3.18Å; L98-Y102 HydrophobicContact CB-CD2 4.26Å; L98-Y102 HydrophobicContact CB-CE2 3.92Å; L98-Y102 HydrophobicContact CD2-CE2 4.42Å; L98-Y102 WeakPolarHBondContact O-CD2 3.42Å; L98-Y102 PolarHBondContact O-N 2.83Å; G99-Y102 PolarHBondContact O-N 3.11Å; P100-Y102 PolarHBondContact O-N 2.97Å; Y102-A106 VanDerWaalsContact O-CB 3.26Å; Y102-A106 WeakPolarHBondContact O-CB 3.42Å; Y102-A106 PolarHBondContact O-N 3.33Å |
| 103 | A | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M41 G99 P100 Y101 A106 Y107 V127 W134 | M41-A103 HydrophobicContact CE-CB 4.11Å; M41-A103 HydrophobicContact SD-CB 4.19Å; G99-A103 PolarHBondContact O-N 3.1Å; G99-A103 VanDerWaalsContact O-N 3.17Å; P100-A103 PolarHBondContact O-N 3.18Å; Y101-A103 VanDerWaalsContact C-N 3.32Å; Y101-A103 PolarHBondContact O-N 3.01Å; A103-A106 PolarHBondContact O-N 2.81Å; A103-Y107 WeakPolarHBondContact O-CB 3.28Å; A103-Y107 PolarHBondContact O-N 3.18Å; A103-V127 HydrophobicContact CB-CB 4.44Å; A103-V127 HydrophobicContact CB-CG1 3.84Å; A103-V127 HydrophobicContact CB-CG2 3.69Å; A103-W134 HydrophobicContact CB-CH2 4Å |
| 104 | V | 91.9 | Very high | 89 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111 | L19 P100 Y101 Y107 C108 L130 W134 | L19-V104 HydrophobicContact CD1-CG1 4.28Å; L19-V104 HydrophobicContact CD1-CG2 4.49Å; L19-V104 HydrophobicContact CD2-CG1 3.53Å; P100-V104 WeakPolarHBondContact O-CG2 3.34Å; P100-V104 PolarHBondContact O-N 3.28Å; Y101-V104 PolarHBondContact O-N 3.3Å; V104-Y107 WeakPolarHBondContact O-CB 3.38Å; V104-Y107 PolarHBondContact O-N 3.36Å; V104-C108 WeakPolarHBondContact O-CB 3.45Å; V104-C108 PolarHBondContact O-N 2.66Å; V104-C108 PolarHBondContact O-SG 3.4Å; V104-L130 HydrophobicContact CG2-CD1 4.16Å; V104-W134 HydrophobicContact CG2-CZ2 4.08Å |
| 105 | E | 91.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 175.6 | -176.2 | -175.3 | -119 | 0 | 0 | 111.5 | Y101 Y107 C108 A109 | Y101-E105 WeakPolarHBondContact O-CB 3.06Å; Y101-E105 PolarHBondContact O-N 2.93Å; Y101-E105 PolarHBondContact OH-OE1 2.85Å; Y101-E105 VanDerWaalsContact OH-OE1 3.11Å; E105-Y107 VanDerWaalsContact C-N 3.31Å; E105-Y107 PolarHBondContact O-N 2.85Å; E105-C108 PolarHBondContact O-N 2.75Å; E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.93Å |
| 106 | A | 90.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M41 Y102 A103 Q110 Q111 L112 | M41-A106 HydrophobicContact SD-CB 4.13Å; Y102-A106 VanDerWaalsContact O-CB 3.26Å; Y102-A106 WeakPolarHBondContact O-CB 3.42Å; Y102-A106 PolarHBondContact O-N 3.33Å; A103-A106 PolarHBondContact O-N 2.81Å; A106-Q110 PolarHBondContact O-N 3.37Å; A106-Q111 CarbonylContact O-C 3.58Å; A106-Q111 WeakPolarHBondContact O-CA 3.26Å; A106-Q111 PolarHBondContact O-N 2.62Å; A106-L112 HydrophobicContact CB-CB 4.23Å; A106-L112 HydrophobicContact CB-CD1 4.48Å |
| 107 | Y | 90.5 | Very high | 90.4 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 174.9 | -175 | -105 | 0 | 0 | 0 | 112.1 | C23 A103 V104 E105 A109 Q110 L112 W134 R135 V138 | C23-Y107 HydrophobicContact CB-CE1 4.26Å; A103-Y107 WeakPolarHBondContact O-CB 3.28Å; A103-Y107 PolarHBondContact O-N 3.18Å; V104-Y107 WeakPolarHBondContact O-CB 3.38Å; V104-Y107 PolarHBondContact O-N 3.36Å; E105-Y107 VanDerWaalsContact C-N 3.31Å; E105-Y107 PolarHBondContact O-N 2.85Å; Y107-A109 VanDerWaalsContact C-N 3.28Å; Y107-A109 PolarHBondContact O-N 2.87Å; Y107-Q110 PolarHBondContact O-N 2.98Å; Y107-L112 HydrophobicContact CD2-CB 4.49Å; Y107-L112 HydrophobicContact CD2-CD2 4.28Å; Y107-W134 HydrophobicContact CD1-CD2 4.48Å; Y107-W134 HydrophobicContact CD1-CG 4.3Å; Y107-W134 HydrophobicContact CD2-CB 4.23Å; Y107-W134 HydrophobicContact CD2-CD2 4.08Å; Y107-W134 HydrophobicContact CD2-CE3 4.16Å; Y107-W134 HydrophobicContact CD2-CG 4.14Å; Y107-W134 HydrophobicContact CE1-CB 4.28Å; Y107-W134 AromaticContact CE1-CD1 3.96Å; Y107-W134 HydrophobicContact CE1-CG 4.07Å; Y107-W134 HydrophobicContact CE2-CB 3.58Å; Y107-W134 HydrophobicContact CE2-CD2 4.32Å; Y107-W134 AromaticContact CE2-CG 3.91Å; Y107-W134 HydrophobicContact CE2-CG 3.91Å; Y107-W134 HydrophobicContact CG-CD2 4.15Å; Y107-W134 HydrophobicContact CG-CE3 4.47Å; Y107-W134 HydrophobicContact CG-CG 4.32Å; Y107-W134 AromaticContact CZ-CG 3.85Å; Y107-R135 WeakPolarHBondContact OH-CD 3.44Å; Y107-R135 WeakPolarHBondContact OH-CG 3.27Å; Y107-R135 PolarHBondContact OH-N 3.44Å; Y107-V138 HydrophobicContact CD2-CG2 4.32Å; Y107-V138 HydrophobicContact CE2-CG2 4.2Å |
| 108 | C | 89.3 | Confident | 90.5 | Very high | 72 Ų | 72 | 32.2 Ų | 32.2 | 49% | 0.486 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 178.5 | -65.4 | 0 | 0 | 0 | 0 | 112 | V104 E105 Q110 | V104-C108 WeakPolarHBondContact O-CB 3.45Å; V104-C108 PolarHBondContact O-N 2.66Å; V104-C108 PolarHBondContact O-SG 3.4Å; E105-C108 PolarHBondContact O-N 2.75Å; C108-Q110 PolarHBondContact O-N 3.05Å |
| 109 | A | 86.7 | Confident | 90.2 | Very high | 48 Ų | 48 | 29.3 Ų | 29.3 | 40% | 0.397 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 1.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E105 Y107 Q111 | E105-A109 VanDerWaalsContact O-CB 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.44Å; E105-A109 PolarHBondContact O-N 2.93Å; Y107-A109 VanDerWaalsContact C-N 3.28Å; Y107-A109 PolarHBondContact O-N 2.87Å; A109-Q111 HydrophobicContact CB-CG 4.1Å; A109-Q111 PolarHBondContact O-N 3.5Å |
| 110 | Q | 84.2 | Confident | 90.2 | Very high | 59 Ų | 59 | 30 Ų | 30 | 28% | 0.276 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.7 | -174.6 | -55.5 | 178.3 | -13.9 | 0 | 0 | 113.3 | A106 Y107 C108 | A106-Q110 PolarHBondContact O-N 3.37Å; Y107-Q110 PolarHBondContact O-N 2.98Å; C108-Q110 PolarHBondContact O-N 3.05Å |
| 111 | Q | 85.2 | Confident | 90 | Very high | 66 Ų | 66 | 29.5 Ų | 29.5 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | trans | -108 | 21.1 | 178.6 | -65.3 | -179.2 | -6.2 | 0 | 0 | 112.1 | Q39 A106 A109 | Q39-Q111 VanDerWaalsContact CB-C 3.41Å; Q39-Q111 WeakPolarHBondContact CB-O 3.23Å; A106-Q111 CarbonylContact O-C 3.58Å; A106-Q111 WeakPolarHBondContact O-CA 3.26Å; A106-Q111 PolarHBondContact O-N 2.62Å; A109-Q111 HydrophobicContact CB-CG 4.1Å; A109-Q111 PolarHBondContact O-N 3.5Å | ||
| 112 | L | 90.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | trans | -138 | 105.5 | -175 | -167.6 | 69.2 | 0 | 0 | 0 | 112.3 | M41 A106 Y107 V115 W134 V138 | M41-L112 HydrophobicContact CB-CD1 3.24Å; M41-L112 HydrophobicContact CG-CD1 4.09Å; M41-L112 HydrophobicContact SD-CD1 3.73Å; A106-L112 HydrophobicContact CB-CB 4.23Å; A106-L112 HydrophobicContact CB-CD1 4.48Å; Y107-L112 HydrophobicContact CD2-CB 4.49Å; Y107-L112 HydrophobicContact CD2-CD2 4.28Å; L112-V115 HydrophobicContact CD1-CG2 3.69Å; L112-V115 HydrophobicContact CD2-CG2 4.28Å; L112-V115 HydrophobicContact CG-CG2 4.36Å; L112-W134 HydrophobicContact CD2-CE3 4.04Å; L112-W134 HydrophobicContact CD2-CH2 4.17Å; L112-W134 HydrophobicContact CD2-CZ3 3.51Å; L112-V138 HydrophobicContact CD2-CG1 4.27Å; L112-V138 HydrophobicContact CG-CG1 4.11Å | ||
| 113 | D | 93 | Very high | 89.7 | Confident | 14 Ų | 14 | 24.5 Ų | 24.5 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -112.3 | -28 | 169.7 | -60.6 | -54.7 | 0 | 0 | 0 | 111.6 | I38 Q39 P139 R421 | I38-D113 HydrophobicContact CG2-CB 4.1Å; Q39-D113 WeakPolarHBondContact CB-OD2 3.31Å; Q39-D113 WeakPolarHBondContact CG-OD2 3.28Å; Q39-D113 PolarHBondContact N-OD2 3.4Å; Q39-D113 PolarHBondContact O-N 2.91Å; D113-P139 VanDerWaalsContact O-CD 3.29Å; D113-P139 WeakPolarHBondContact O-CD 3.38Å; D113-R421 WeakPolarHBondContact OD1-CD 2.98Å; D113-R421 WeakPolarHBondContact OD1-CG 3.16Å; D113-R421 IonicContact OD1-CZ 3.94Å; D113-R421 IonicContact OD1-NE 2.83Å; D113-R421 IonicContact OD1-NH1 2.63Å; D113-R421 PolarHBondContact OD1-NH1 2.77Å; D113-R421 IonicContact OD2-CZ 3.84Å; D113-R421 IonicContact OD2-NH1 4Å; D113-R421 IonicContact OD2-NH2 2.76Å |
| 114 | V | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 146.1 | 175.2 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | I38 Q39 V40 M41 F116 P139 I141 Y406 | I38-V114 HydrophobicContact CG2-CG1 4.2Å; Q39-V114 PolarHBondContact O-N 3.49Å; V40-V114 HydrophobicContact CB-CG1 4.13Å; V40-V114 HydrophobicContact CG1-CG1 4.1Å; V40-V114 HydrophobicContact CG2-CG1 3.73Å; M41-V114 PolarHBondContact N-O 2.98Å; V114-F116 HydrophobicContact CG1-CD2 4.5Å; V114-F116 HydrophobicContact CG1-CE2 4.18Å; V114-F116 HydrophobicContact CG2-CD2 4.07Å; V114-F116 HydrophobicContact CG2-CE2 3.72Å; V114-P139 HydrophobicContact CG2-CB 4.16Å; V114-I141 HydrophobicContact CG2-CD1 4.08Å; V114-Y406 HydrophobicContact CB-CE1 4.35Å; V114-Y406 HydrophobicContact CB-CE2 3.99Å; V114-Y406 HydrophobicContact CG1-CE1 3.88Å; V114-Y406 HydrophobicContact CG1-CE2 4.41Å; V114-Y406 HydrophobicContact CG2-CD2 4.15Å; V114-Y406 HydrophobicContact CG2-CE1 4.48Å; V114-Y406 HydrophobicContact CG2-CE2 3.76Å |
| 115 | V | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.1 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | M41 L112 F118 V127 V138 P139 V140 I141 | M41-V115 WeakPolarHBondContact O-CA 3.4Å; M41-V115 HydrophobicContact SD-CG2 4.47Å; L112-V115 HydrophobicContact CD1-CG2 3.69Å; L112-V115 HydrophobicContact CD2-CG2 4.28Å; L112-V115 HydrophobicContact CG-CG2 4.36Å; V115-F118 HydrophobicContact CG1-CE2 4.05Å; V115-V127 HydrophobicContact CG2-CG1 4.44Å; V115-V138 HydrophobicContact CG2-CG1 4.19Å; V115-P139 PolarHBondContact N-O 2.83Å; V115-V140 HydrophobicContact CB-CG1 4.31Å; V115-V140 HydrophobicContact CB-CG2 4.21Å; V115-V140 HydrophobicContact CG1-CG1 4.29Å; V115-V140 HydrophobicContact CG2-CG2 4.44Å; V115-I141 PolarHBondContact O-N 3.3Å |
| 116 | F | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.8 | 164.3 | -78.2 | -98 | 0 | 0 | 0 | 110.4 | V40 M41 V42 A43 V114 I141 F399 I403 Y406 | V40-F116 HydrophobicContact CG1-CD2 3.57Å; V40-F116 HydrophobicContact CG1-CE2 4.04Å; M41-F116 PolarHBondContact O-N 3.01Å; V42-F116 WeakPolarHBondContact CA-O 3.43Å; V42-F116 HydrophobicContact CG2-CB 4.39Å; A43-F116 PolarHBondContact N-O 2.99Å; V114-F116 HydrophobicContact CG1-CD2 4.5Å; V114-F116 HydrophobicContact CG1-CE2 4.18Å; V114-F116 HydrophobicContact CG2-CD2 4.07Å; V114-F116 HydrophobicContact CG2-CE2 3.72Å; F116-I141 WeakPolarHBondContact CA-O 3.49Å; F116-I141 HydrophobicContact CD1-CB 4.03Å; F116-I141 HydrophobicContact CD1-CG2 4.06Å; F116-I141 HydrophobicContact CE1-CB 3.88Å; F116-I141 HydrophobicContact CE1-CD1 3.87Å; F116-I141 HydrophobicContact CE1-CG2 3.74Å; F116-I141 HydrophobicContact CE2-CD1 3.95Å; F116-I141 HydrophobicContact CZ-CB 4.27Å; F116-I141 HydrophobicContact CZ-CD1 3.44Å; F116-I141 VanDerWaalsContact CZ-CD1 3.44Å; F116-I141 HydrophobicContact CZ-CG1 4.45Å; F116-I141 HydrophobicContact CZ-CG2 4.45Å; F116-F399 HydrophobicContact CD1-CD1 4.2Å; F116-I403 HydrophobicContact CD1-CD1 4.15Å; F116-I403 HydrophobicContact CD1-CG1 4.41Å; F116-I403 HydrophobicContact CD2-CD1 4.21Å; F116-I403 HydrophobicContact CE1-CD1 3.6Å; F116-I403 HydrophobicContact CE1-CG1 3.79Å; F116-I403 HydrophobicContact CE2-CD1 3.66Å; F116-I403 HydrophobicContact CG-CD1 4.42Å; F116-I403 HydrophobicContact CZ-CD1 3.32Å; F116-I403 HydrophobicContact CZ-CG1 3.95Å; F116-Y406 HydrophobicContact CZ-CG 4.4Å |
| 117 | G | 88.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 127 | -161.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I141 T142 | G117-I141 PolarHBondContact N-O 2.96Å; G117-T142 WeakPolarHBondContact O-CA 2.93Å; G117-T142 WeakPolarHBondContact O-CB 3.38Å; G117-T142 PolarHBondContact O-OG1 3.31Å |
| 118 | F | 89.2 | Confident | 90.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | cis | -88.4 | -175 | -1.7 | -75 | -120 | 0 | 0 | 0 | 110.9 | M41 A43 T92 G99 V115 A123 L124 V127 I144 | M41-F118 HydrophobicContact CE-CZ 4.45Å; A43-F118 HydrophobicContact CB-CD1 3.82Å; A43-F118 HydrophobicContact CB-CD2 3.89Å; A43-F118 HydrophobicContact CB-CE1 3.55Å; A43-F118 HydrophobicContact CB-CE2 3.64Å; A43-F118 HydrophobicContact CB-CG 3.97Å; A43-F118 HydrophobicContact CB-CZ 3.44Å; A43-F118 VanDerWaalsContact CB-CZ 3.44Å; A43-F118 WeakPolarHBondContact O-CA 3.35Å; T92-F118 HydrophobicContact CG2-CD1 3.46Å; T92-F118 VanDerWaalsContact CG2-CD1 3.46Å; T92-F118 HydrophobicContact CG2-CE1 3.22Å; T92-F118 HydrophobicContact CG2-CZ 4.25Å; G99-F118 VanDerWaalsContact CA-CE1 3.46Å; V115-F118 HydrophobicContact CG1-CE2 4.05Å; F118-A123 HydrophobicContact CB-CB 4.37Å; F118-A123 HydrophobicContact CD1-CB 3.7Å; F118-A123 HydrophobicContact CE1-CB 4.37Å; F118-A123 HydrophobicContact CG-CB 4.26Å; F118-L124 HydrophobicContact CB-CB 4.12Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.63Å; F118-L124 HydrophobicContact CE2-CD1 4.33Å; F118-L124 HydrophobicContact CG-CB 4.35Å; F118-V127 HydrophobicContact CE2-CB 3.99Å; F118-V127 HydrophobicContact CE2-CG1 4.04Å; F118-V127 HydrophobicContact CE2-CG2 3.86Å; F118-V127 HydrophobicContact CZ-CB 4.34Å; F118-V127 HydrophobicContact CZ-CG1 4.49Å; F118-V127 HydrophobicContact CZ-CG2 3.69Å; F118-I144 WeakPolarHBondContact O-CD1 3.46Å; F118-I144 WeakPolarHBondContact O-CG1 3.25Å | ||
| 119 | A | 84.2 | Confident | 90.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -89.8 | 0.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M44 P45 L58 | M44-A119 HydrophobicContact SD-CB 3.83Å; P45-A119 HydrophobicContact CG-CB 4.09Å; L58-A119 HydrophobicContact CB-CB 3.99Å |
| 120 | S | 85.5 | Confident | 90.5 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 11% | 0.105 | 10% | 0.098 | C | C | . | . | trans | -137.5 | 133.2 | 178.6 | 163.3 | 0 | 0 | 0 | 0 | 110.8 | C94 Y122 A123 L124 I144 | C94-S120 PolarHBondContact O-OG 2.91Å; S120-Y122 VanDerWaalsContact C-N 3.29Å; S120-Y122 PolarHBondContact O-N 3.21Å; S120-Y122 PolarHBondContact OG-N 3.45Å; S120-A123 PolarHBondContact O-N 3.27Å; S120-A123 PolarHBondContact OG-N 3.28Å; S120-L124 WeakPolarHBondContact O-CB 3.41Å; S120-L124 PolarHBondContact O-N 3.17Å; S120-I144 VanDerWaalsContact N-CD1 3.34Å | ||
| 121 | A | 88.5 | Confident | 91 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 7% | 0.066 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.3 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L124 A125 A145 V147 | A121-L124 PolarHBondContact O-N 3.4Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.15Å; A121-A145 HydrophobicContact CB-CB 4.16Å; A121-V147 HydrophobicContact CB-CG1 4.47Å; A121-V147 HydrophobicContact CB-CG2 4.44Å |
| 122 | Y | 87.1 | Confident | 91.2 | Very high | 87 Ų | 87 | 15.5 Ų | 15.5 | 34% | 0.341 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 178.1 | -64.7 | -75.7 | 0 | 0 | 0 | 112.5 | S120 P126 K200 F205 | S120-Y122 VanDerWaalsContact C-N 3.29Å; S120-Y122 PolarHBondContact O-N 3.21Å; S120-Y122 PolarHBondContact OG-N 3.45Å; Y122-P126 WeakPolarHBondContact O-CD 3.18Å; Y122-K200 PolarHBondContact OH-N 2.93Å; Y122-K200 PolarHBondContact OH-O 3.19Å; Y122-F205 HydrophobicContact CE2-CE2 4.47Å; Y122-F205 WeakPolarHBondContact OH-CZ 3.27Å |
| 123 | A | 89.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74.4 | -35.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S95 F118 S120 | S95-A123 VanDerWaalsContact O-CB 3.27Å; S95-A123 WeakPolarHBondContact O-CB 3.18Å; F118-A123 HydrophobicContact CB-CB 4.37Å; F118-A123 HydrophobicContact CD1-CB 3.7Å; F118-A123 HydrophobicContact CE1-CB 4.37Å; F118-A123 HydrophobicContact CG-CB 4.26Å; S120-A123 PolarHBondContact O-N 3.27Å; S120-A123 PolarHBondContact OG-N 3.28Å |
| 124 | L | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.4 | -45.1 | -179.7 | 179.3 | 69.2 | 0 | 0 | 0 | 113 | F118 S120 A121 V127 A128 V140 T142 A145 L150 L159 | F118-L124 HydrophobicContact CB-CB 4.12Å; F118-L124 HydrophobicContact CD2-CB 4.17Å; F118-L124 HydrophobicContact CD2-CD1 3.63Å; F118-L124 HydrophobicContact CE2-CD1 4.33Å; F118-L124 HydrophobicContact CG-CB 4.35Å; S120-L124 WeakPolarHBondContact O-CB 3.41Å; S120-L124 PolarHBondContact O-N 3.17Å; A121-L124 PolarHBondContact O-N 3.4Å; L124-V127 PolarHBondContact O-N 2.95Å; L124-A128 HydrophobicContact CG-CB 4.39Å; L124-A128 PolarHBondContact O-N 3.2Å; L124-V140 HydrophobicContact CD1-CG1 3.55Å; L124-T142 HydrophobicContact CD2-CG2 3.84Å; L124-A145 HydrophobicContact CD2-CB 3.28Å; L124-L150 HydrophobicContact CD2-CD1 4.48Å; L124-L159 HydrophobicContact CD2-CD1 4.05Å |
| 125 | A | 92.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 27 Ų | 27 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -49.6 | -51.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | A121 V127 A128 R129 L150 Y156 | A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 3.15Å; A125-V127 PolarHBondContact O-N 3.3Å; A125-A128 PolarHBondContact O-N 2.96Å; A125-R129 WeakPolarHBondContact O-CB 3.48Å; A125-R129 PolarHBondContact O-N 2.84Å; A125-L150 HydrophobicContact CB-CD2 3.92Å; A125-Y156 WeakPolarHBondContact O-CE1 3.42Å |
| 126 | P | 92.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 31.8 Ų | 31.8 | 21% | 0.208 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 174.6 | 19.3 | -32.6 | 0 | 0 | 0 | 113.8 | P100 Y122 R129 L130 | P100-P126 HydrophobicContact CB-CB 4.32Å; P100-P126 HydrophobicContact CB-CG 4.46Å; P100-P126 HydrophobicContact CG-CB 3.54Å; P100-P126 HydrophobicContact CG-CG 3.24Å; Y122-P126 WeakPolarHBondContact O-CD 3.18Å; P126-R129 PolarHBondContact O-N 3.08Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 2.86Å |
| 127 | V | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -44.5 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | P100 A103 V115 F118 L124 A125 R129 L130 S131 W134 | P100-V127 HydrophobicContact CB-CG2 4.41Å; P100-V127 HydrophobicContact CG-CG2 4.23Å; A103-V127 HydrophobicContact CB-CB 4.44Å; A103-V127 HydrophobicContact CB-CG1 3.84Å; A103-V127 HydrophobicContact CB-CG2 3.69Å; V115-V127 HydrophobicContact CG2-CG1 4.44Å; F118-V127 HydrophobicContact CE2-CB 3.99Å; F118-V127 HydrophobicContact CE2-CG1 4.04Å; F118-V127 HydrophobicContact CE2-CG2 3.86Å; F118-V127 HydrophobicContact CZ-CB 4.34Å; F118-V127 HydrophobicContact CZ-CG1 4.49Å; F118-V127 HydrophobicContact CZ-CG2 3.69Å; L124-V127 PolarHBondContact O-N 2.95Å; A125-V127 PolarHBondContact O-N 3.3Å; V127-R129 PolarHBondContact O-N 3.26Å; V127-L130 PolarHBondContact O-N 3.1Å; V127-S131 WeakPolarHBondContact O-CB 3.47Å; V127-S131 PolarHBondContact O-N 3.05Å; V127-W134 HydrophobicContact CG1-CH2 4.26Å; V127-W134 HydrophobicContact CG1-CZ3 4.47Å |
| 128 | A | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -27.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L124 A125 S131 Y156 L159 | L124-A128 HydrophobicContact CG-CB 4.39Å; L124-A128 PolarHBondContact O-N 3.2Å; A125-A128 PolarHBondContact O-N 2.96Å; A128-S131 PolarHBondContact O-OG 3.4Å; A128-Y156 HydrophobicContact CB-CD1 3.74Å; A128-Y156 HydrophobicContact CB-CE1 4.42Å; A128-L159 HydrophobicContact CB-CB 4.39Å; A128-L159 HydrophobicContact CB-CD1 4.31Å; A128-L159 HydrophobicContact CB-CD2 4.3Å |
| 129 | R | 93.3 | Very high | 90.2 | Very high | 96 Ų | 96 | 32.3 Ų | 32.3 | 36% | 0.362 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -73.1 | -44.4 | 172.5 | -173.1 | 179.3 | -59.3 | 164 | 6.3 | 111.6 | A125 P126 V127 F133 V155 Y156 | A125-R129 WeakPolarHBondContact O-CB 3.48Å; A125-R129 PolarHBondContact O-N 2.84Å; P126-R129 PolarHBondContact O-N 3.08Å; V127-R129 PolarHBondContact O-N 3.26Å; R129-F133 VanDerWaalsContact O-CD2 3.25Å; R129-F133 WeakPolarHBondContact O-CD2 3.44Å; R129-F133 WeakPolarHBondContact O-CE2 3.2Å; R129-V155 HydrophobicContact CB-CG1 4.46Å; R129-V155 HydrophobicContact CG-CG1 3.92Å; R129-Y156 HydrophobicContact CB-CD1 4.49Å; R129-Y156 HydrophobicContact CB-CE1 4.17Å; R129-Y156 PolarHBondContact NH2-OH 3.42Å |
| 130 | L | 92.6 | Very high | 90.8 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -34.4 | 179.5 | -74.1 | 167.8 | 0 | 0 | 0 | 112.8 | V16 V104 P126 V127 G132 F133 W134 | V16-L130 HydrophobicContact CB-CD2 4.18Å; V16-L130 HydrophobicContact CG1-CD2 3.95Å; V16-L130 HydrophobicContact CG2-CD2 3.45Å; V16-L130 VanDerWaalsContact CG2-CD2 3.45Å; V104-L130 HydrophobicContact CG2-CD1 4.16Å; P126-L130 WeakPolarHBondContact O-CG 3.25Å; P126-L130 PolarHBondContact O-N 2.86Å; V127-L130 PolarHBondContact O-N 3.1Å; L130-G132 PolarHBondContact O-N 2.94Å; L130-G132 VanDerWaalsContact O-N 3.1Å; L130-F133 WeakPolarHBondContact O-CB 3.47Å; L130-F133 PolarHBondContact O-N 3.04Å; L130-W134 HydrophobicContact CB-CH2 4.15Å; L130-W134 HydrophobicContact CB-CZ2 3.59Å; L130-W134 HydrophobicContact CD1-CZ2 4.05Å; L130-W134 HydrophobicContact CG-CZ2 4.37Å |
| 131 | S | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -60.7 | -27.5 | -170.7 | 78.7 | 0 | 0 | 0 | 0 | 114.2 | V127 A128 F133 G137 V138 V140 | V127-S131 WeakPolarHBondContact O-CB 3.47Å; V127-S131 PolarHBondContact O-N 3.05Å; A128-S131 PolarHBondContact O-OG 3.4Å; S131-F133 VanDerWaalsContact C-N 3.28Å; S131-F133 PolarHBondContact O-N 3.03Å; S131-G137 WeakPolarHBondContact O-CA 3.4Å; S131-V138 WeakPolarHBondContact CB-O 3.25Å; S131-V138 PolarHBondContact O-N 2.92Å; S131-V138 PolarHBondContact OG-O 3.21Å; S131-V140 VanDerWaalsContact CB-CG2 3.49Å; S131-V140 WeakPolarHBondContact OG-CG2 3.32Å |
| 132 | G | 89.6 | Confident | 91.6 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -73 | -13.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L130 | L130-G132 PolarHBondContact O-N 2.94Å; L130-G132 VanDerWaalsContact O-N 3.1Å |
| 133 | F | 89.1 | Confident | 91.8 | Very high | 88 Ų | 88 | 27 Ų | 27 | 39% | 0.386 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -104.5 | -6.9 | -177.5 | -65.7 | -82.1 | 0 | 0 | 0 | 113.6 | Q20 R129 L130 S131 R135 | Q20-F133 PolarHBondContact NE2-O 3.05Å; R129-F133 VanDerWaalsContact O-CD2 3.25Å; R129-F133 WeakPolarHBondContact O-CD2 3.44Å; R129-F133 WeakPolarHBondContact O-CE2 3.2Å; L130-F133 WeakPolarHBondContact O-CB 3.47Å; L130-F133 PolarHBondContact O-N 3.04Å; S131-F133 VanDerWaalsContact C-N 3.28Å; S131-F133 PolarHBondContact O-N 3.03Å; F133-R135 PolarHBondContact O-N 3.34Å |
| 134 | W | 88.3 | Confident | 91.7 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -87.8 | 99.5 | -176 | -72.3 | -16.6 | 0 | 0 | 0 | 112.2 | A103 V104 Y107 L112 V127 L130 Q136 G137 V138 | A103-W134 HydrophobicContact CB-CH2 4Å; V104-W134 HydrophobicContact CG2-CZ2 4.08Å; Y107-W134 HydrophobicContact CD1-CD2 4.48Å; Y107-W134 HydrophobicContact CD1-CG 4.3Å; Y107-W134 HydrophobicContact CD2-CB 4.23Å; Y107-W134 HydrophobicContact CD2-CD2 4.08Å; Y107-W134 HydrophobicContact CD2-CE3 4.16Å; Y107-W134 HydrophobicContact CD2-CG 4.14Å; Y107-W134 HydrophobicContact CE1-CB 4.28Å; Y107-W134 AromaticContact CE1-CD1 3.96Å; Y107-W134 HydrophobicContact CE1-CG 4.07Å; Y107-W134 HydrophobicContact CE2-CB 3.58Å; Y107-W134 HydrophobicContact CE2-CD2 4.32Å; Y107-W134 AromaticContact CE2-CG 3.91Å; Y107-W134 HydrophobicContact CE2-CG 3.91Å; Y107-W134 HydrophobicContact CG-CD2 4.15Å; Y107-W134 HydrophobicContact CG-CE3 4.47Å; Y107-W134 HydrophobicContact CG-CG 4.32Å; Y107-W134 AromaticContact CZ-CG 3.85Å; L112-W134 HydrophobicContact CD2-CE3 4.04Å; L112-W134 HydrophobicContact CD2-CH2 4.17Å; L112-W134 HydrophobicContact CD2-CZ3 3.51Å; V127-W134 HydrophobicContact CG1-CH2 4.26Å; V127-W134 HydrophobicContact CG1-CZ3 4.47Å; L130-W134 HydrophobicContact CB-CH2 4.15Å; L130-W134 HydrophobicContact CB-CZ2 3.59Å; L130-W134 HydrophobicContact CD1-CZ2 4.05Å; L130-W134 HydrophobicContact CG-CZ2 4.37Å; W134-Q136 PolarHBondContact O-N 3.18Å; W134-G137 VanDerWaalsContact O-CA 3.29Å; W134-G137 WeakPolarHBondContact O-CA 3.1Å; W134-G137 PolarHBondContact O-N 3.04Å; W134-V138 HydrophobicContact CB-CG2 4.05Å; W134-V138 HydrophobicContact CE3-CB 3.88Å; W134-V138 HydrophobicContact CE3-CG1 4.45Å; W134-V138 HydrophobicContact CE3-CG2 3.75Å; W134-V138 HydrophobicContact CZ3-CB 4.5Å |
| 135 | R | 81.4 | Confident | 91.3 | Very high | 158 Ų | 158 | 27.1 Ų | 27.1 | 60% | 0.596 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -117.9 | -179.7 | -75.9 | 171.7 | -177.9 | -167.7 | -1.4 | 112.2 | I26 Y107 F133 G137 | I26-R135 PolarHBondContact O-NH2 3.38Å; Y107-R135 WeakPolarHBondContact OH-CD 3.44Å; Y107-R135 WeakPolarHBondContact OH-CG 3.27Å; Y107-R135 PolarHBondContact OH-N 3.44Å; F133-R135 PolarHBondContact O-N 3.34Å; R135-G137 PolarHBondContact O-N 2.97Å |
| 136 | Q | 85.6 | Confident | 91.2 | Very high | 102 Ų | 102 | 26.2 Ų | 26.2 | 48% | 0.477 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 23.1 | 177.1 | -64.5 | -176.3 | -6.1 | 0 | 0 | 112.3 | W134 N422 G423 V424 | W134-Q136 PolarHBondContact O-N 3.18Å; Q136-N422 HydrophobicContact CB-CB 4.45Å; Q136-N422 PolarHBondContact OE1-ND2 3.46Å; Q136-G423 PolarHBondContact O-N 3.09Å; Q136-V424 VanDerWaalsContact O-CG2 3.3Å; Q136-V424 WeakPolarHBondContact O-CG2 3.28Å; Q136-V424 PolarHBondContact O-N 2.92Å |
| 137 | G | 91.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 25 Ų | 25 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | trans | 81.3 | 148.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S131 W134 R135 G423 | S131-G137 WeakPolarHBondContact O-CA 3.4Å; W134-G137 VanDerWaalsContact O-CA 3.29Å; W134-G137 WeakPolarHBondContact O-CA 3.1Å; W134-G137 PolarHBondContact O-N 3.04Å; R135-G137 PolarHBondContact O-N 2.97Å; G137-G423 VanDerWaalsContact O-CA 3.29Å; G137-G423 WeakPolarHBondContact O-CA 3.42Å; G137-G423 PolarHBondContact O-N 2.91Å | ||
| 138 | V | 94.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.036 | 12% | 0.123 | C | C | . | . | trans | -114.8 | 120.9 | 170.1 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | Y107 L112 V115 S131 W134 | Y107-V138 HydrophobicContact CD2-CG2 4.32Å; Y107-V138 HydrophobicContact CE2-CG2 4.2Å; L112-V138 HydrophobicContact CD2-CG1 4.27Å; L112-V138 HydrophobicContact CG-CG1 4.11Å; V115-V138 HydrophobicContact CG2-CG1 4.19Å; S131-V138 WeakPolarHBondContact CB-O 3.25Å; S131-V138 PolarHBondContact O-N 2.92Å; S131-V138 PolarHBondContact OG-O 3.21Å; W134-V138 HydrophobicContact CB-CG2 4.05Å; W134-V138 HydrophobicContact CE3-CB 3.88Å; W134-V138 HydrophobicContact CE3-CG1 4.45Å; W134-V138 HydrophobicContact CE3-CG2 3.75Å; W134-V138 HydrophobicContact CZ3-CB 4.5Å | ||
| 139 | P | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -66.2 | 140.1 | 177 | -19 | 34.3 | 0 | 0 | 0 | 110.7 | D113 V114 V115 Y406 G423 M430 | D113-P139 VanDerWaalsContact O-CD 3.29Å; D113-P139 WeakPolarHBondContact O-CD 3.38Å; V114-P139 HydrophobicContact CG2-CB 4.16Å; V115-P139 PolarHBondContact N-O 2.83Å; P139-Y406 HydrophobicContact CB-CE2 4.4Å; P139-Y406 HydrophobicContact CG-CE2 4.19Å; P139-G423 VanDerWaalsContact CG-CA 3.5Å; P139-M430 HydrophobicContact CB-CE 4.03Å | ||
| 140 | V | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.5 | 177.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | V115 L124 S131 L158 L159 T160 | V115-V140 HydrophobicContact CB-CG1 4.31Å; V115-V140 HydrophobicContact CB-CG2 4.21Å; V115-V140 HydrophobicContact CG1-CG1 4.29Å; V115-V140 HydrophobicContact CG2-CG2 4.44Å; L124-V140 HydrophobicContact CD1-CG1 3.55Å; S131-V140 VanDerWaalsContact CB-CG2 3.49Å; S131-V140 WeakPolarHBondContact OG-CG2 3.32Å; V140-L158 PolarHBondContact N-O 3.19Å; V140-L159 HydrophobicContact CB-CD1 4.35Å; V140-L159 HydrophobicContact CG1-CD1 3.98Å; V140-L159 CarbonylContact O-C 3.08Å; V140-L159 WeakPolarHBondContact O-CA 3.49Å; V140-T160 PolarHBondContact O-N 3.09Å |
| 141 | I | 96.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.3 | -175.6 | -57.9 | 162.2 | 0 | 0 | 0 | 108.6 | V114 V115 F116 G117 T160 M162 Y406 M430 | V114-I141 HydrophobicContact CG2-CD1 4.08Å; V115-I141 PolarHBondContact O-N 3.3Å; F116-I141 WeakPolarHBondContact CA-O 3.49Å; F116-I141 HydrophobicContact CD1-CB 4.03Å; F116-I141 HydrophobicContact CD1-CG2 4.06Å; F116-I141 HydrophobicContact CE1-CB 3.88Å; F116-I141 HydrophobicContact CE1-CD1 3.87Å; F116-I141 HydrophobicContact CE1-CG2 3.74Å; F116-I141 HydrophobicContact CE2-CD1 3.95Å; F116-I141 HydrophobicContact CZ-CB 4.27Å; F116-I141 HydrophobicContact CZ-CD1 3.44Å; F116-I141 VanDerWaalsContact CZ-CD1 3.44Å; F116-I141 HydrophobicContact CZ-CG1 4.45Å; F116-I141 HydrophobicContact CZ-CG2 4.45Å; G117-I141 PolarHBondContact N-O 2.96Å; I141-T160 WeakPolarHBondContact CA-O 3.49Å; I141-M162 HydrophobicContact CG2-CG 3.72Å; I141-M162 HydrophobicContact CG2-SD 4.3Å; I141-Y406 HydrophobicContact CD1-CD2 3.75Å; I141-Y406 HydrophobicContact CD1-CG 4.01Å; I141-M430 HydrophobicContact CD1-CE 4.22Å; I141-M430 HydrophobicContact CD1-SD 3.94Å; I141-M430 HydrophobicContact CG1-CE 4.28Å; I141-M430 HydrophobicContact CG1-SD 4.38Å |
| 142 | T | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.9 | -176.7 | -164.8 | 0 | 0 | 0 | 0 | 111.6 | G117 L124 I144 A145 L159 T160 R161 M162 | G117-T142 WeakPolarHBondContact O-CA 2.93Å; G117-T142 WeakPolarHBondContact O-CB 3.38Å; G117-T142 PolarHBondContact O-OG1 3.31Å; L124-T142 HydrophobicContact CD2-CG2 3.84Å; T142-I144 WeakPolarHBondContact OG1-CG1 3.23Å; T142-I144 PolarHBondContact OG1-N 2.79Å; T142-A145 HydrophobicContact CG2-CB 4.25Å; T142-L159 HydrophobicContact CG2-CD1 3.9Å; T142-T160 PolarHBondContact N-O 2.7Å; T142-R161 HydrophobicContact CG2-CB 4.36Å; T142-R161 HydrophobicContact CG2-CG 3.74Å; T142-M162 WeakPolarHBondContact O-CB 3.3Å; T142-M162 PolarHBondContact O-N 2.98Å |
| 143 | T | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -99.7 | -5 | 172.2 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | M162 N163 F395 A398 F399 | T143-M162 HydrophobicContact CG2-CB 4.19Å; T143-N163 WeakPolarHBondContact O-CB 3.47Å; T143-N163 PolarHBondContact O-ND2 2.97Å; T143-F395 WeakPolarHBondContact CB-O 3.43Å; T143-F395 WeakPolarHBondContact CG2-O 3.3Å; T143-F395 WeakPolarHBondContact O-CD1 3.15Å; T143-F395 PolarHBondContact OG1-O 3.15Å; T143-A398 HydrophobicContact CG2-CB 3.58Å; T143-F399 HydrophobicContact CG2-CB 4.34Å; T143-F399 HydrophobicContact CG2-CD1 3.81Å; T143-F399 HydrophobicContact CG2-CD2 3.55Å; T143-F399 HydrophobicContact CG2-CE1 3.83Å; T143-F399 HydrophobicContact CG2-CE2 3.59Å; T143-F399 HydrophobicContact CG2-CG 3.64Å; T143-F399 HydrophobicContact CG2-CZ 3.67Å; T143-F399 WeakPolarHBondContact OG1-CE2 3.36Å; T143-F399 WeakPolarHBondContact OG1-CZ 3.26Å |
| 144 | I | 86.9 | Confident | 90.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -118.5 | -144.1 | -178.3 | 61.9 | 146.9 | 0 | 0 | 0 | 110.2 | F56 L58 F118 S120 T142 Q146 F395 | F56-I144 HydrophobicContact CB-CG2 4.05Å; F56-I144 HydrophobicContact CD1-CG2 3.76Å; F56-I144 HydrophobicContact CD2-CB 4.13Å; F56-I144 HydrophobicContact CD2-CD1 4.46Å; F56-I144 HydrophobicContact CD2-CG2 3.71Å; F56-I144 HydrophobicContact CE1-CB 4.41Å; F56-I144 HydrophobicContact CE1-CG2 4.09Å; F56-I144 HydrophobicContact CE2-CB 4.02Å; F56-I144 HydrophobicContact CE2-CD1 4.48Å; F56-I144 HydrophobicContact CE2-CG2 4.07Å; F56-I144 HydrophobicContact CG-CB 4.41Å; F56-I144 HydrophobicContact CG-CG2 3.57Å; F56-I144 HydrophobicContact CZ-CB 4.17Å; F56-I144 HydrophobicContact CZ-CG2 4.25Å; L58-I144 HydrophobicContact CD1-CG2 3.5Å; F118-I144 WeakPolarHBondContact O-CD1 3.46Å; F118-I144 WeakPolarHBondContact O-CG1 3.25Å; S120-I144 VanDerWaalsContact N-CD1 3.34Å; T142-I144 WeakPolarHBondContact OG1-CG1 3.23Å; T142-I144 PolarHBondContact OG1-N 2.79Å; I144-Q146 VanDerWaalsContact C-N 3.26Å; I144-Q146 PolarHBondContact O-N 2.75Å; I144-F395 HydrophobicContact CG2-CD1 3.91Å; I144-F395 HydrophobicContact CG2-CE1 4.39Å | ||
| 145 | A | 85.2 | Confident | 90.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | trans | 54.1 | 44.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | A121 L124 T142 V147 L150 R161 | A121-A145 HydrophobicContact CB-CB 4.16Å; L124-A145 HydrophobicContact CD2-CB 3.28Å; T142-A145 HydrophobicContact CG2-CB 4.25Å; A145-V147 PolarHBondContact O-N 3.42Å; A145-V147 VanDerWaalsContact O-N 3.15Å; A145-L150 HydrophobicContact CB-CD1 3.66Å; A145-R161 VanDerWaalsContact O-CD 3.27Å; A145-R161 WeakPolarHBondContact O-CD 3.24Å | ||
| 146 | Q | 89.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -78.6 | 7.7 | -175.1 | -52.3 | 179.1 | -86.8 | 0 | 0 | 112 | I144 N163 G164 S165 Y166 | I144-Q146 VanDerWaalsContact C-N 3.26Å; I144-Q146 PolarHBondContact O-N 2.75Å; Q146-N163 PolarHBondContact NE2-O 3.06Å; Q146-G164 WeakPolarHBondContact CG-O 3.47Å; Q146-S165 CarbonylContact O-C 3.58Å; Q146-S165 WeakPolarHBondContact O-CA 3.5Å; Q146-S165 PolarHBondContact O-OG 3.25Å; Q146-Y166 HydrophobicContact CB-CD1 3.78Å; Q146-Y166 HydrophobicContact CB-CD2 3.94Å; Q146-Y166 HydrophobicContact CB-CE1 3.71Å; Q146-Y166 HydrophobicContact CB-CE2 3.91Å; Q146-Y166 HydrophobicContact CB-CG 3.87Å; Q146-Y166 HydrophobicContact CG-CE1 4.29Å; Q146-Y166 WeakPolarHBondContact O-CB 3.46Å; Q146-Y166 WeakPolarHBondContact O-CD2 3.28Å; Q146-Y166 PolarHBondContact O-N 3Å; Q146-Y166 VanDerWaalsContact OE1-CE1 3.32Å | ||
| 147 | V | 90.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | trans | -68.2 | 137.2 | -176.2 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | A121 A145 S149 L150 R161 Y166 F205 | A121-V147 HydrophobicContact CB-CG1 4.47Å; A121-V147 HydrophobicContact CB-CG2 4.44Å; A145-V147 PolarHBondContact O-N 3.42Å; A145-V147 VanDerWaalsContact O-N 3.15Å; V147-S149 WeakPolarHBondContact CG2-OG 3.39Å; V147-S149 PolarHBondContact O-N 2.75Å; V147-L150 HydrophobicContact CG2-CB 4.37Å; V147-L150 HydrophobicContact CG2-CD1 3.79Å; V147-L150 HydrophobicContact CG2-CG 3.69Å; V147-L150 PolarHBondContact O-N 3.32Å; V147-R161 PolarHBondContact O-NH1 3.29Å; V147-Y166 HydrophobicContact CG1-CE2 4.37Å; V147-F205 HydrophobicContact CB-CD1 4.31Å; V147-F205 HydrophobicContact CB-CG 4.34Å; V147-F205 HydrophobicContact CG1-CB 3.8Å; V147-F205 HydrophobicContact CG1-CD1 3.88Å; V147-F205 HydrophobicContact CG1-CD2 3.59Å; V147-F205 HydrophobicContact CG1-CE1 4.33Å; V147-F205 HydrophobicContact CG1-CE2 4.07Å; V147-F205 HydrophobicContact CG1-CG 3.49Å; V147-F205 VanDerWaalsContact CG1-CG 3.49Å; V147-F205 HydrophobicContact CG1-CZ 4.4Å | ||
| 148 | D | 87.8 | Confident | 91.3 | Very high | 38 Ų | 38 | 25.6 Ų | 25.6 | 20% | 0.203 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -54.6 | -30.1 | -179.9 | -72.8 | 8.4 | 0 | 0 | 0 | 113.3 | L150 D151 R167 A209 N212 | D148-L150 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact O-N 3.12Å; D148-D151 WeakPolarHBondContact O-CB 3.46Å; D148-D151 PolarHBondContact O-N 2.92Å; D148-R167 PolarHBondContact OD1-N 3.26Å; D148-A209 WeakPolarHBondContact OD1-CB 3.32Å; D148-A209 WeakPolarHBondContact OD2-CA 3.49Å; D148-N212 PolarHBondContact OD2-ND2 3.35Å |
| 149 | S | 85.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 25.3 Ų | 25.3 | 58% | 0.58 | 14% | 0.142 | S | C | * | . | G | 310 helix | trans | -64.3 | -14.9 | 179.9 | 67 | 0 | 0 | 0 | 0 | 114.6 | V147 Y156 | V147-S149 WeakPolarHBondContact CG2-OG 3.39Å; V147-S149 PolarHBondContact O-N 2.75Å; S149-Y156 WeakPolarHBondContact O-CE2 3.49Å |
| 150 | L | 90.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -95.2 | 3.2 | 175.4 | -63.3 | 179.4 | 0 | 0 | 0 | 113.1 | L124 A125 A145 V147 D148 D152 R153 Y156 L159 | L124-L150 HydrophobicContact CD2-CD1 4.48Å; A125-L150 HydrophobicContact CB-CD2 3.92Å; A145-L150 HydrophobicContact CB-CD1 3.66Å; V147-L150 HydrophobicContact CG2-CB 4.37Å; V147-L150 HydrophobicContact CG2-CD1 3.79Å; V147-L150 HydrophobicContact CG2-CG 3.69Å; V147-L150 PolarHBondContact O-N 3.32Å; D148-L150 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact O-N 3.12Å; L150-D152 VanDerWaalsContact C-N 3.28Å; L150-D152 PolarHBondContact O-N 3.36Å; L150-R153 PolarHBondContact O-NH1 3.47Å; L150-Y156 HydrophobicContact CB-CD2 4.36Å; L150-Y156 HydrophobicContact CB-CE2 4.44Å; L150-Y156 HydrophobicContact CD2-CD1 4.02Å; L150-Y156 HydrophobicContact CD2-CD2 4Å; L150-Y156 HydrophobicContact CD2-CE1 3.53Å; L150-Y156 HydrophobicContact CD2-CE2 3.53Å; L150-Y156 HydrophobicContact CD2-CG 4.23Å; L150-L159 HydrophobicContact CB-CD2 4.13Å; L150-L159 HydrophobicContact CD1-CD2 4.36Å |
| 151 | D | 88.8 | Confident | 91.3 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | trans | -72.5 | -19.8 | 179.1 | -72.4 | 10.3 | 0 | 0 | 0 | 112.9 | D148 R153 R161 S165 R167 | D148-D151 WeakPolarHBondContact O-CB 3.46Å; D148-D151 PolarHBondContact O-N 2.92Å; D151-R153 PolarHBondContact O-N 3.22Å; D151-R161 IonicContact OD1-CZ 3.82Å; D151-R161 IonicContact OD1-NH1 3.94Å; D151-R161 PolarHBondContact OD1-NH1 3.12Å; D151-R161 IonicContact OD1-NH2 3.98Å; D151-R161 PolarHBondContact OD1-NH2 3.43Å; D151-S165 PolarHBondContact OD1-OG 3.46Å; D151-S165 VanDerWaalsContact OD1-OG 3.06Å; D151-R167 IonicContact OD2-CZ 3.47Å; D151-R167 IonicContact OD2-NE 2.67Å; D151-R167 IonicContact OD2-NH1 3.01Å; D151-R167 PolarHBondContact OD2-NH1 3.02Å | ||
| 152 | D | 90.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 25.3 Ų | 25.3 | 43% | 0.428 | 14% | 0.141 | S | C | . | . | trans | -71.8 | 99.9 | -177.9 | -173.6 | -6 | 0 | 0 | 0 | 111.9 | L150 S154 V155 Y156 | L150-D152 VanDerWaalsContact C-N 3.28Å; L150-D152 PolarHBondContact O-N 3.36Å; D152-S154 VanDerWaalsContact C-N 3.25Å; D152-S154 VanDerWaalsContact CG-OG 3.26Å; D152-S154 PolarHBondContact O-N 2.88Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.06Å; D152-S154 PolarHBondContact OD1-OG 3.23Å; D152-S154 PolarHBondContact OD2-OG 3.04Å; D152-V155 HydrophobicContact CB-CG2 4.49Å; D152-V155 PolarHBondContact O-N 3.49Å; D152-V155 VanDerWaalsContact O-N 3.16Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.44Å; D152-Y156 WeakPolarHBondContact O-CD2 3.49Å; D152-Y156 PolarHBondContact O-N 3.27Å | ||
| 153 | R | 90.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 14% | 0.143 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.3 | 179.4 | -58.6 | -47.3 | -177.1 | -151.4 | -1.2 | 114.8 | L150 D151 V155 K157 W431 D447 D449 | L150-R153 PolarHBondContact O-NH1 3.47Å; D151-R153 PolarHBondContact O-N 3.22Å; R153-V155 VanDerWaalsContact C-N 3.26Å; R153-K157 WeakPolarHBondContact O-CG 3.46Å; R153-W431 HydrophobicContact CG-CH2 4.32Å; R153-W431 HydrophobicContact CG-CZ3 4.49Å; R153-D447 HydrophobicContact CG-CB 4.29Å; R153-D447 PolarHBondContact NE-O 2.95Å; R153-D447 PolarHBondContact NH2-O 2.68Å; R153-D449 IonicContact CZ-OD1 3.55Å; R153-D449 IonicContact NH2-OD1 3.35Å; R153-D449 PolarHBondContact NH2-OD1 2.88Å; R153-D449 IonicContact NH2-OD2 3.6Å; R153-D449 PolarHBondContact NH2-OD2 3.27Å |
| 154 | S | 88.1 | Confident | 90.7 | Very high | 83 Ų | 83 | 25.3 Ų | 25.3 | 58% | 0.58 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -31.2 | 167.8 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | D152 K157 | D152-S154 VanDerWaalsContact C-N 3.25Å; D152-S154 VanDerWaalsContact CG-OG 3.26Å; D152-S154 PolarHBondContact O-N 2.88Å; D152-S154 VanDerWaalsContact OD1-CB 3.27Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.06Å; D152-S154 PolarHBondContact OD1-OG 3.23Å; D152-S154 PolarHBondContact OD2-OG 3.04Å; S154-K157 WeakPolarHBondContact O-CE 3.3Å |
| 155 | V | 90.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 27% | 0.273 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -52 | 179.1 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | R129 D152 R153 K157 | R129-V155 HydrophobicContact CB-CG1 4.46Å; R129-V155 HydrophobicContact CG-CG1 3.92Å; D152-V155 HydrophobicContact CB-CG2 4.49Å; D152-V155 PolarHBondContact O-N 3.49Å; D152-V155 VanDerWaalsContact O-N 3.16Å; D152-V155 WeakPolarHBondContact OD2-CG2 3.44Å; R153-V155 VanDerWaalsContact C-N 3.26Å; V155-K157 PolarHBondContact O-N 2.85Å |
| 156 | Y | 93.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -99.9 | 61.7 | -175.3 | -52.9 | -72.5 | 0 | 0 | 0 | 111.1 | A125 A128 R129 S149 L150 D152 L158 L159 | A125-Y156 WeakPolarHBondContact O-CE1 3.42Å; A128-Y156 HydrophobicContact CB-CD1 3.74Å; A128-Y156 HydrophobicContact CB-CE1 4.42Å; R129-Y156 HydrophobicContact CB-CD1 4.49Å; R129-Y156 HydrophobicContact CB-CE1 4.17Å; R129-Y156 PolarHBondContact NH2-OH 3.42Å; S149-Y156 WeakPolarHBondContact O-CE2 3.49Å; L150-Y156 HydrophobicContact CB-CD2 4.36Å; L150-Y156 HydrophobicContact CB-CE2 4.44Å; L150-Y156 HydrophobicContact CD2-CD1 4.02Å; L150-Y156 HydrophobicContact CD2-CD2 4Å; L150-Y156 HydrophobicContact CD2-CE1 3.53Å; L150-Y156 HydrophobicContact CD2-CE2 3.53Å; L150-Y156 HydrophobicContact CD2-CG 4.23Å; D152-Y156 WeakPolarHBondContact O-CD2 3.49Å; D152-Y156 PolarHBondContact O-N 3.27Å; Y156-L158 VanDerWaalsContact C-N 3.29Å; Y156-L158 PolarHBondContact O-N 3.27Å; Y156-L159 HydrophobicContact CG-CD2 4.4Å; Y156-L159 PolarHBondContact O-N 2.92Å |
| 157 | K | 92.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 27.9 Ų | 27.9 | 43% | 0.43 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.5 | -168.3 | -63.9 | 177.9 | -177 | 175.7 | 0 | 114.8 | R153 S154 V155 W431 | R153-K157 WeakPolarHBondContact O-CG 3.46Å; S154-K157 WeakPolarHBondContact O-CE 3.3Å; V155-K157 PolarHBondContact O-N 2.85Å; K157-W431 WeakPolarHBondContact O-CH2 3.43Å |
| 158 | L | 95.2 | Very high | 91.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 18.5 | -172.1 | -56.1 | 177.3 | 0 | 0 | 0 | 113.3 | V140 Y156 V424 T427 | V140-L158 PolarHBondContact N-O 3.19Å; Y156-L158 VanDerWaalsContact C-N 3.29Å; Y156-L158 PolarHBondContact O-N 3.27Å; L158-V424 HydrophobicContact CD1-CG2 4.42Å; L158-V424 HydrophobicContact CD2-CG2 4.07Å; L158-T427 HydrophobicContact CD2-CG2 4.16Å |
| 159 | L | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.9 | -179.3 | 176.8 | 62.1 | 0 | 0 | 0 | 110.8 | L124 A128 V140 T142 L150 Y156 R161 W431 | L124-L159 HydrophobicContact CD2-CD1 4.05Å; A128-L159 HydrophobicContact CB-CB 4.39Å; A128-L159 HydrophobicContact CB-CD1 4.31Å; A128-L159 HydrophobicContact CB-CD2 4.3Å; V140-L159 HydrophobicContact CB-CD1 4.35Å; V140-L159 HydrophobicContact CG1-CD1 3.98Å; V140-L159 CarbonylContact O-C 3.08Å; V140-L159 WeakPolarHBondContact O-CA 3.49Å; T142-L159 HydrophobicContact CG2-CD1 3.9Å; L150-L159 HydrophobicContact CB-CD2 4.13Å; L150-L159 HydrophobicContact CD1-CD2 4.36Å; Y156-L159 HydrophobicContact CG-CD2 4.4Å; Y156-L159 PolarHBondContact O-N 2.92Å; L159-R161 HydrophobicContact CD2-CG 4.43Å; L159-R161 HydrophobicContact CG-CG 4.22Å; L159-W431 WeakPolarHBondContact O-CZ2 3.35Å |
| 160 | T | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.1 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | V140 I141 T142 M162 L405 W431 G448 | V140-T160 PolarHBondContact O-N 3.09Å; I141-T160 WeakPolarHBondContact CA-O 3.49Å; T142-T160 PolarHBondContact N-O 2.7Å; T160-M162 HydrophobicContact CG2-SD 4.08Å; T160-L405 HydrophobicContact CG2-CD2 4.37Å; T160-W431 PolarHBondContact OG1-NE1 2.91Å; T160-G448 CarbonylContact C-O 3.56Å; T160-G448 WeakPolarHBondContact CA-O 3.49Å |
| 161 | R | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.7 | -178.8 | -66 | -177.4 | -70.7 | -170.8 | -2 | 111.3 | T142 A145 V147 D151 L159 N163 G164 G448 D449 R450 | T142-R161 HydrophobicContact CG2-CB 4.36Å; T142-R161 HydrophobicContact CG2-CG 3.74Å; A145-R161 VanDerWaalsContact O-CD 3.27Å; A145-R161 WeakPolarHBondContact O-CD 3.24Å; V147-R161 PolarHBondContact O-NH1 3.29Å; D151-R161 IonicContact OD1-CZ 3.82Å; D151-R161 IonicContact OD1-NH1 3.94Å; D151-R161 PolarHBondContact OD1-NH1 3.12Å; D151-R161 IonicContact OD1-NH2 3.98Å; D151-R161 PolarHBondContact OD1-NH2 3.43Å; L159-R161 HydrophobicContact CD2-CG 4.43Å; L159-R161 HydrophobicContact CG-CG 4.22Å; R161-N163 VanDerWaalsContact C-N 3.31Å; R161-N163 PolarHBondContact O-N 3.41Å; R161-G164 PolarHBondContact O-N 2.95Å; R161-G448 PolarHBondContact N-O 3.42Å; R161-D449 WeakPolarHBondContact CB-OD1 3.47Å; R161-D449 IonicContact CZ-OD1 2.76Å; R161-D449 IonicContact CZ-OD2 2.76Å; R161-D449 IonicContact NE-OD1 2.63Å; R161-D449 PolarHBondContact NE-OD1 3.47Å; R161-D449 IonicContact NE-OD2 3.1Å; R161-D449 IonicContact NH2-OD1 3.85Å; R161-D449 PolarHBondContact NH2-OD1 2.63Å; R161-D449 IonicContact NH2-OD2 3.75Å; R161-D449 PolarHBondContact NH2-OD2 2.83Å; R161-R450 PolarHBondContact O-N 2.85Å |
| 162 | M | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | -174.6 | -62.9 | -55.4 | -56.7 | 0 | 0 | 115 | I141 T142 T143 T160 A398 D401 L405 F435 V442 I444 R450 | I141-M162 HydrophobicContact CG2-CG 3.72Å; I141-M162 HydrophobicContact CG2-SD 4.3Å; T142-M162 WeakPolarHBondContact O-CB 3.3Å; T142-M162 PolarHBondContact O-N 2.98Å; T143-M162 HydrophobicContact CG2-CB 4.19Å; T160-M162 HydrophobicContact CG2-SD 4.08Å; M162-A398 HydrophobicContact CB-CB 4.07Å; M162-D401 HydrophobicContact CE-CB 3.86Å; M162-L405 HydrophobicContact CE-CD2 4.25Å; M162-L405 HydrophobicContact SD-CD2 3.89Å; M162-F435 HydrophobicContact CE-CZ 4.25Å; M162-V442 HydrophobicContact CE-CG1 4.42Å; M162-I444 HydrophobicContact CE-CD1 4.27Å; M162-I444 HydrophobicContact SD-CD1 4.2Å; M162-R450 WeakPolarHBondContact O-CD 3.27Å; M162-R450 PolarHBondContact O-NH1 3.42Å |
| 163 | N | 89 | Confident | 91.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 15.4 | 169.4 | -77.5 | -39.1 | 0 | 0 | 0 | 112.8 | T143 Q146 R161 F395 S452 | T143-N163 WeakPolarHBondContact O-CB 3.47Å; T143-N163 PolarHBondContact O-ND2 2.97Å; Q146-N163 PolarHBondContact NE2-O 3.06Å; R161-N163 VanDerWaalsContact C-N 3.31Å; R161-N163 PolarHBondContact O-N 3.41Å; N163-F395 HydrophobicContact CB-CE1 4.41Å; N163-F395 WeakPolarHBondContact ND2-CD1 3.05Å; N163-S452 PolarHBondContact O-OG 3.26Å |
| 164 | G | 88.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 71.1 | -164.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q146 R161 R450 | Q146-G164 WeakPolarHBondContact CG-O 3.47Å; R161-G164 PolarHBondContact O-N 2.95Å; G164-R450 WeakPolarHBondContact CA-O 3.33Å | ||
| 165 | S | 91.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | trans | -110 | 154.1 | -179.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | Q146 D151 R167 E168 | Q146-S165 CarbonylContact O-C 3.58Å; Q146-S165 WeakPolarHBondContact O-CA 3.5Å; Q146-S165 PolarHBondContact O-OG 3.25Å; D151-S165 PolarHBondContact OD1-OG 3.46Å; D151-S165 VanDerWaalsContact OD1-OG 3.06Å; S165-R167 PolarHBondContact O-N 3.45Å; S165-R167 VanDerWaalsContact O-N 3.11Å; S165-R167 PolarHBondContact OG-N 3.48Å; S165-E168 WeakPolarHBondContact O-CB 3.17Å; S165-E168 PolarHBondContact O-N 3.38Å | ||
| 166 | Y | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.6 | -14.2 | 170.5 | -69.3 | -40 | 0 | 0 | 0 | 112.3 | Q146 V147 E168 L169 G170 E202 F205 Q206 A209 I322 H323 | Q146-Y166 HydrophobicContact CB-CD1 3.78Å; Q146-Y166 HydrophobicContact CB-CD2 3.94Å; Q146-Y166 HydrophobicContact CB-CE1 3.71Å; Q146-Y166 HydrophobicContact CB-CE2 3.91Å; Q146-Y166 HydrophobicContact CB-CG 3.87Å; Q146-Y166 HydrophobicContact CG-CE1 4.29Å; Q146-Y166 WeakPolarHBondContact O-CB 3.46Å; Q146-Y166 WeakPolarHBondContact O-CD2 3.28Å; Q146-Y166 PolarHBondContact O-N 3Å; Q146-Y166 VanDerWaalsContact OE1-CE1 3.32Å; V147-Y166 HydrophobicContact CG1-CE2 4.37Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 3.08Å; Y166-L169 HydrophobicContact CD1-CD2 4.32Å; Y166-L169 WeakPolarHBondContact O-CB 3.38Å; Y166-L169 PolarHBondContact O-N 3.11Å; Y166-G170 PolarHBondContact O-N 3.25Å; Y166-E202 PolarHBondContact OH-OE2 3.3Å; Y166-F205 HydrophobicContact CD2-CB 4Å; Y166-F205 HydrophobicContact CE2-CB 3.99Å; Y166-Q206 HydrophobicContact CD1-CG 3.69Å; Y166-Q206 HydrophobicContact CD2-CG 4.1Å; Y166-Q206 HydrophobicContact CE1-CG 3.55Å; Y166-Q206 HydrophobicContact CE2-CG 3.95Å; Y166-Q206 HydrophobicContact CG-CG 3.99Å; Y166-A209 WeakPolarHBondContact O-CB 3.37Å; Y166-I322 HydrophobicContact CD1-CD1 4.25Å; Y166-I322 HydrophobicContact CE1-CD1 4.03Å; Y166-H323 PolarHBondContact OH-NE2 3.4Å; Y166-H323 VanDerWaalsContact OH-NE2 3.11Å |
| 167 | R | 90.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 15.9 Ų | 15.9 | 20% | 0.204 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -52.7 | -42 | 163.5 | -174.3 | 171.5 | 73 | -160.7 | 11.4 | 113.5 | D148 D151 S165 G170 F171 | D148-R167 PolarHBondContact OD1-N 3.26Å; D151-R167 IonicContact OD2-CZ 3.47Å; D151-R167 IonicContact OD2-NE 2.67Å; D151-R167 IonicContact OD2-NH1 3.01Å; D151-R167 PolarHBondContact OD2-NH1 3.02Å; S165-R167 PolarHBondContact O-N 3.45Å; S165-R167 VanDerWaalsContact O-N 3.11Å; S165-R167 PolarHBondContact OG-N 3.48Å; R167-G170 WeakPolarHBondContact O-CA 3.46Å; R167-G170 PolarHBondContact O-N 3.01Å; R167-G170 VanDerWaalsContact O-N 3.12Å; R167-F171 HydrophobicContact CG-CD2 4.34Å; R167-F171 HydrophobicContact CG-CE2 3.77Å; R167-F171 HydrophobicContact CG-CZ 4.27Å; R167-F171 WeakPolarHBondContact O-CD2 3.44Å; R167-F171 PolarHBondContact O-N 3.15Å |
| 168 | E | 89.4 | Confident | 91.3 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69 | -35.5 | 179.7 | -61.2 | -56.5 | 131.7 | 0 | 0 | 111.9 | S165 Y166 G170 F171 T172 Y454 | S165-E168 WeakPolarHBondContact O-CB 3.17Å; S165-E168 PolarHBondContact O-N 3.38Å; Y166-E168 VanDerWaalsContact C-N 3.27Å; Y166-E168 PolarHBondContact O-N 3.08Å; E168-G170 VanDerWaalsContact C-N 3.33Å; E168-F171 PolarHBondContact O-N 3.24Å; E168-T172 PolarHBondContact O-N 3.11Å; E168-T172 PolarHBondContact O-OG1 2.8Å; E168-Y454 HydrophobicContact CB-CE2 4.06Å |
| 169 | L | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 168.1 | 174.1 | 76.1 | 0 | 0 | 0 | 110.8 | Y166 F171 T172 I173 Q206 I210 I320 I322 V355 Y454 | Y166-L169 HydrophobicContact CD1-CD2 4.32Å; Y166-L169 WeakPolarHBondContact O-CB 3.38Å; Y166-L169 PolarHBondContact O-N 3.11Å; L169-F171 VanDerWaalsContact C-N 3.33Å; L169-F171 PolarHBondContact O-N 3.23Å; L169-T172 VanDerWaalsContact O-CB 3.3Å; L169-T172 WeakPolarHBondContact O-CB 3.38Å; L169-T172 PolarHBondContact O-N 2.9Å; L169-T172 VanDerWaalsContact O-N 3.14Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 2.66Å; L169-Q206 HydrophobicContact CD2-CB 3.92Å; L169-Q206 HydrophobicContact CD2-CG 3.92Å; L169-I210 HydrophobicContact CD2-CD1 3.82Å; L169-I210 HydrophobicContact CD2-CG1 4.15Å; L169-I210 HydrophobicContact CG-CD1 4.16Å; L169-I210 HydrophobicContact CG-CG1 4.26Å; L169-I320 HydrophobicContact CD1-CG2 4.1Å; L169-I320 HydrophobicContact CD2-CG2 4.16Å; L169-I322 HydrophobicContact CB-CD1 4.4Å; L169-I322 HydrophobicContact CD1-CD1 3.67Å; L169-I322 HydrophobicContact CD1-CG1 4.36Å; L169-I322 HydrophobicContact CD2-CD1 3.39Å; L169-I322 HydrophobicContact CG-CD1 3.98Å; L169-V355 HydrophobicContact CD1-CG1 4.17Å; L169-Y454 HydrophobicContact CB-CE1 4.27Å; L169-Y454 HydrophobicContact CB-CE2 4.45Å; L169-Y454 HydrophobicContact CD1-CD1 4.18Å; L169-Y454 HydrophobicContact CD1-CE1 3.95Å |
| 170 | G | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y166 R167 E168 I173 V174 | Y166-G170 PolarHBondContact O-N 3.25Å; R167-G170 WeakPolarHBondContact O-CA 3.46Å; R167-G170 PolarHBondContact O-N 3.01Å; R167-G170 VanDerWaalsContact O-N 3.12Å; E168-G170 VanDerWaalsContact C-N 3.33Å; G170-I173 PolarHBondContact O-N 2.94Å; G170-V174 VanDerWaalsContact O-CG2 3.26Å; G170-V174 WeakPolarHBondContact O-CG2 3.39Å; G170-V174 PolarHBondContact O-N 3.15Å |
| 171 | F | 90.9 | Very high | 89.8 | Confident | 61 Ų | 61 | 26.1 Ų | 26.1 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.2 | -68.7 | -50.9 | 0 | 0 | 0 | 112.1 | R167 E168 L169 I173 V174 R175 Q213 Y491 | R167-F171 HydrophobicContact CG-CD2 4.34Å; R167-F171 HydrophobicContact CG-CE2 3.77Å; R167-F171 HydrophobicContact CG-CZ 4.27Å; R167-F171 WeakPolarHBondContact O-CD2 3.44Å; R167-F171 PolarHBondContact O-N 3.15Å; E168-F171 PolarHBondContact O-N 3.24Å; L169-F171 VanDerWaalsContact C-N 3.33Å; L169-F171 PolarHBondContact O-N 3.23Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 2.76Å; F171-V174 PolarHBondContact O-N 3.44Å; F171-R175 WeakPolarHBondContact O-CB 3.41Å; F171-R175 VanDerWaalsContact O-CG 3.28Å; F171-R175 WeakPolarHBondContact O-CG 3.37Å; F171-R175 PolarHBondContact O-N 3.46Å; F171-Q213 VanDerWaalsContact CE1-OE1 3.29Å; F171-Y491 HydrophobicContact CB-CE2 4.47Å; F171-Y491 WeakPolarHBondContact CB-OH 3.28Å |
| 172 | T | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.3 | -50.6 | 177 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | E168 L169 R175 M176 V355 Y454 Y491 | E168-T172 PolarHBondContact O-N 3.11Å; E168-T172 PolarHBondContact O-OG1 2.8Å; L169-T172 VanDerWaalsContact O-CB 3.3Å; L169-T172 WeakPolarHBondContact O-CB 3.38Å; L169-T172 PolarHBondContact O-N 2.9Å; L169-T172 VanDerWaalsContact O-N 3.14Å; T172-R175 PolarHBondContact O-N 2.92Å; T172-M176 VanDerWaalsContact O-CB 3.29Å; T172-M176 WeakPolarHBondContact O-CB 3.33Å; T172-M176 PolarHBondContact O-N 3.12Å; T172-V355 HydrophobicContact CG2-CG1 4.42Å; T172-Y454 HydrophobicContact CG2-CD2 4.44Å; T172-Y454 HydrophobicContact CG2-CG 4.25Å; T172-Y454 WeakPolarHBondContact OG1-CD2 3.49Å; T172-Y491 HydrophobicContact CG2-CG 4.19Å; T172-Y491 WeakPolarHBondContact OG1-CD1 3.38Å; T172-Y491 WeakPolarHBondContact OG1-CE1 3.2Å |
| 173 | I | 92 | Very high | 88.4 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 179.6 | -62.9 | -61.6 | 0 | 0 | 0 | 110.8 | L169 G170 F171 R175 M176 L177 I210 L289 V355 | L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 2.66Å; G170-I173 PolarHBondContact O-N 2.94Å; F171-I173 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 2.76Å; I173-R175 PolarHBondContact O-N 2.83Å; I173-M176 HydrophobicContact CD1-CE 3.86Å; I173-M176 PolarHBondContact O-N 3.16Å; I173-L177 HydrophobicContact CG2-CD1 3.76Å; I173-L177 HydrophobicContact CG2-CG 4.15Å; I173-L177 WeakPolarHBondContact O-CB 3.36Å; I173-L177 WeakPolarHBondContact O-CG 3.28Å; I173-L177 PolarHBondContact O-N 3.4Å; I173-I210 HydrophobicContact CB-CG2 4.06Å; I173-I210 HydrophobicContact CG1-CD1 4.01Å; I173-I210 HydrophobicContact CG1-CG1 4.18Å; I173-I210 HydrophobicContact CG1-CG2 4.41Å; I173-I210 HydrophobicContact CG2-CG2 3.75Å; I173-L289 HydrophobicContact CD1-CD1 4.27Å; I173-V355 HydrophobicContact CD1-CG1 4.4Å; I173-V355 HydrophobicContact CD1-CG2 3.99Å |
| 174 | V | 89.9 | Confident | 87.6 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | G170 F171 M176 L177 Q178 Q213 L214 A217 | G170-V174 VanDerWaalsContact O-CG2 3.26Å; G170-V174 WeakPolarHBondContact O-CG2 3.39Å; G170-V174 PolarHBondContact O-N 3.15Å; F171-V174 PolarHBondContact O-N 3.44Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 2.85Å; V174-L177 PolarHBondContact O-N 2.96Å; V174-Q178 HydrophobicContact CG1-CG 4.47Å; V174-Q178 WeakPolarHBondContact O-CB 3.26Å; V174-Q178 VanDerWaalsContact O-CG 3.26Å; V174-Q178 WeakPolarHBondContact O-CG 3.3Å; V174-Q178 PolarHBondContact O-N 3.29Å; V174-Q213 HydrophobicContact CG2-CB 3.91Å; V174-L214 HydrophobicContact CG2-CD2 3.81Å; V174-L214 HydrophobicContact CG2-CG 4.11Å; V174-A217 HydrophobicContact CG1-CB 3.87Å |
| 175 | R | 90.4 | Very high | 87.2 | Confident | 88 Ų | 88 | 32.6 Ų | 32.6 | 33% | 0.332 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 178.7 | -65.8 | -54.4 | -174.7 | -178.4 | 2.7 | 112 | F171 T172 I173 S179 Y491 D496 L498 | F171-R175 WeakPolarHBondContact O-CB 3.41Å; F171-R175 VanDerWaalsContact O-CG 3.28Å; F171-R175 WeakPolarHBondContact O-CG 3.37Å; F171-R175 PolarHBondContact O-N 3.46Å; T172-R175 PolarHBondContact O-N 2.92Å; I173-R175 PolarHBondContact O-N 2.83Å; R175-S179 WeakPolarHBondContact O-CB 3.3Å; R175-S179 PolarHBondContact O-N 2.87Å; R175-Y491 HydrophobicContact CB-CD2 4.47Å; R175-Y491 HydrophobicContact CG-CD2 4.3Å; R175-Y491 HydrophobicContact CG-CE2 3.95Å; R175-D496 IonicContact CZ-OD1 2.78Å; R175-D496 IonicContact CZ-OD2 3.67Å; R175-D496 IonicContact NE-OD1 2.86Å; R175-D496 PolarHBondContact NE-OD1 3.48Å; R175-D496 IonicContact NE-OD2 3.44Å; R175-D496 IonicContact NH2-OD1 3.98Å; R175-D496 PolarHBondContact NH2-OD1 3.37Å; R175-D496 IonicContact NH2-OD2 2.68Å; R175-D496 PolarHBondContact NH2-OD2 2.98Å; R175-L498 HydrophobicContact CB-CB 4.2Å |
| 176 | M | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 174.9 | -176.6 | -171.2 | 69.6 | 0 | 0 | 111.7 | T172 I173 V174 Q178 S179 L180 I318 V355 V456 L498 W504 | T172-M176 VanDerWaalsContact O-CB 3.29Å; T172-M176 WeakPolarHBondContact O-CB 3.33Å; T172-M176 PolarHBondContact O-N 3.12Å; I173-M176 HydrophobicContact CD1-CE 3.86Å; I173-M176 PolarHBondContact O-N 3.16Å; V174-M176 VanDerWaalsContact C-N 3.34Å; V174-M176 PolarHBondContact O-N 2.85Å; M176-Q178 PolarHBondContact O-N 2.76Å; M176-S179 WeakPolarHBondContact O-CB 3.36Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 VanDerWaalsContact O-N 3.16Å; M176-L180 HydrophobicContact CG-CD1 4.16Å; M176-L180 WeakPolarHBondContact O-CG 3.5Å; M176-L180 PolarHBondContact O-N 2.92Å; M176-I318 HydrophobicContact CE-CD1 3.48Å; M176-I318 VanDerWaalsContact CE-CD1 3.48Å; M176-I318 HydrophobicContact CE-CG2 3.99Å; M176-I318 HydrophobicContact SD-CD1 4.47Å; M176-V355 HydrophobicContact SD-CG2 4.29Å; M176-V456 HydrophobicContact SD-CG1 4.33Å; M176-V456 HydrophobicContact SD-CG2 3.91Å; M176-L498 HydrophobicContact CB-CD2 4.31Å; M176-W504 HydrophobicContact CG-CH2 4.1Å; M176-W504 HydrophobicContact SD-CH2 4.24Å |
| 177 | L | 87.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.1 | -65.7 | 177.1 | 0 | 0 | 0 | 112.6 | I173 V174 S179 L180 N181 Y182 L214 W221 M287 | I173-L177 HydrophobicContact CG2-CD1 3.76Å; I173-L177 HydrophobicContact CG2-CG 4.15Å; I173-L177 WeakPolarHBondContact O-CB 3.36Å; I173-L177 WeakPolarHBondContact O-CG 3.28Å; I173-L177 PolarHBondContact O-N 3.4Å; V174-L177 PolarHBondContact O-N 2.96Å; L177-S179 VanDerWaalsContact C-N 3.34Å; L177-L180 CarbonylContact O-C 3.53Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-N181 PolarHBondContact O-N 3.39Å; L177-Y182 HydrophobicContact CD2-CD2 4.09Å; L177-Y182 PolarHBondContact O-N 2.95Å; L177-L214 HydrophobicContact CD1-CD2 3.83Å; L177-W221 HydrophobicContact CB-CH2 4.12Å; L177-W221 HydrophobicContact CB-CZ2 4.33Å; L177-W221 HydrophobicContact CD1-CH2 3.84Å; L177-W221 HydrophobicContact CD1-CZ2 4.49Å; L177-W221 HydrophobicContact CD1-CZ3 4.37Å; L177-M287 HydrophobicContact CD1-CE 4.25Å; L177-M287 HydrophobicContact CD2-CE 3.35Å; L177-M287 HydrophobicContact CD2-SD 3.22Å; L177-M287 WeakPolarHBondContact CD2-SD 3.25Å; L177-M287 HydrophobicContact CG-CE 4.44Å |
| 178 | Q | 86.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 30 Ų | 30 | 45% | 0.449 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62 | -42 | 171.2 | -74.5 | 173.7 | -12.8 | 0 | 0 | 111.7 | V174 M176 L180 N181 | V174-Q178 HydrophobicContact CG1-CG 4.47Å; V174-Q178 WeakPolarHBondContact O-CB 3.26Å; V174-Q178 VanDerWaalsContact O-CG 3.26Å; V174-Q178 WeakPolarHBondContact O-CG 3.3Å; V174-Q178 PolarHBondContact O-N 3.29Å; M176-Q178 PolarHBondContact O-N 2.76Å; Q178-L180 VanDerWaalsContact C-N 3.27Å; Q178-L180 PolarHBondContact O-N 3.35Å; Q178-N181 PolarHBondContact O-N 3.06Å |
| 179 | S | 86.1 | Confident | 86.5 | Confident | 68 Ų | 68 | 30 Ų | 30 | 48% | 0.476 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.7 | -28.9 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 113.1 | R175 M176 L177 | R175-S179 WeakPolarHBondContact O-CB 3.3Å; R175-S179 PolarHBondContact O-N 2.87Å; M176-S179 WeakPolarHBondContact O-CB 3.36Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 VanDerWaalsContact O-N 3.16Å; L177-S179 VanDerWaalsContact C-N 3.34Å |
| 180 | L | 85.6 | Confident | 86.4 | Confident | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.1 | 178.1 | -64.7 | 174 | 0 | 0 | 0 | 113.2 | M176 L177 Q178 Y182 W504 W506 | M176-L180 HydrophobicContact CG-CD1 4.16Å; M176-L180 WeakPolarHBondContact O-CG 3.5Å; M176-L180 PolarHBondContact O-N 2.92Å; L177-L180 CarbonylContact O-C 3.53Å; L177-L180 PolarHBondContact O-N 3.49Å; Q178-L180 VanDerWaalsContact C-N 3.27Å; Q178-L180 PolarHBondContact O-N 3.35Å; L180-Y182 VanDerWaalsContact C-N 3.31Å; L180-Y182 HydrophobicContact CB-CD2 3.8Å; L180-Y182 HydrophobicContact CB-CE2 4.08Å; L180-Y182 HydrophobicContact CB-CG 4.31Å; L180-Y182 HydrophobicContact CD1-CD2 4.24Å; L180-Y182 HydrophobicContact CD1-CE2 4.15Å; L180-Y182 PolarHBondContact O-N 3.36Å; L180-W504 HydrophobicContact CD1-CH2 4.24Å; L180-W504 HydrophobicContact CD1-CZ3 4.26Å; L180-W506 HydrophobicContact CD2-CH2 4.25Å; L180-W506 HydrophobicContact CD2-CZ2 3.88Å |
| 181 | N | 84.2 | Confident | 86.2 | Confident | 135 Ų | 135 | 30.6 Ų | 30.6 | 72% | 0.722 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 39.7 | -177 | -159.2 | 37.5 | 0 | 0 | 0 | 114.3 | L177 Q178 | L177-N181 PolarHBondContact O-N 3.39Å; Q178-N181 PolarHBondContact O-N 3.06Å |
| 182 | Y | 82 | Confident | 85.7 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | trans | -95.6 | 138 | 175.1 | -70.3 | -29.7 | 0 | 0 | 0 | 111.6 | L177 L180 W221 M287 V316 P512 D514 | L177-Y182 HydrophobicContact CD2-CD2 4.09Å; L177-Y182 PolarHBondContact O-N 2.95Å; L180-Y182 VanDerWaalsContact C-N 3.31Å; L180-Y182 HydrophobicContact CB-CD2 3.8Å; L180-Y182 HydrophobicContact CB-CE2 4.08Å; L180-Y182 HydrophobicContact CB-CG 4.31Å; L180-Y182 HydrophobicContact CD1-CD2 4.24Å; L180-Y182 HydrophobicContact CD1-CE2 4.15Å; L180-Y182 PolarHBondContact O-N 3.36Å; Y182-W221 WeakPolarHBondContact O-CH2 3.39Å; Y182-W221 WeakPolarHBondContact O-CZ2 3.45Å; Y182-M287 HydrophobicContact CD2-CG 4.04Å; Y182-M287 HydrophobicContact CD2-SD 3.14Å; Y182-M287 WeakPolarHBondContact CD2-SD 3.38Å; Y182-M287 HydrophobicContact CE2-CB 4.5Å; Y182-M287 HydrophobicContact CE2-CG 3.95Å; Y182-M287 HydrophobicContact CE2-SD 3.63Å; Y182-M287 HydrophobicContact CG-SD 3.9Å; Y182-V316 HydrophobicContact CE2-CG1 4.16Å; Y182-P512 WeakPolarHBondContact CE1-O 3.17Å; Y182-P512 VanDerWaalsContact CZ-O 3.24Å; Y182-P512 WeakPolarHBondContact OH-CD 3.37Å; Y182-P512 PolarHBondContact OH-O 3.14Å; Y182-D514 HydrophobicContact CD1-CB 3.68Å; Y182-D514 HydrophobicContact CE1-CB 4.25Å; Y182-D514 HydrophobicContact CG-CB 4.35Å | ||
| 183 | E | 75.7 | Confident | 85.1 | Confident | 91 Ų | 91 | 31.2 Ų | 31.2 | 43% | 0.425 | 16% | 0.158 | S | C | . | . | trans | -118.5 | -5.4 | 175.9 | -59.7 | 179.9 | 160.6 | 0 | 0 | 112.4 | W221 D514 K515 | E183-W221 VanDerWaalsContact CA-CH2 3.46Å; E183-W221 WeakPolarHBondContact O-CZ3 3.47Å; E183-D514 WeakPolarHBondContact CA-OD2 3.34Å; E183-D514 WeakPolarHBondContact CB-OD2 3.36Å; E183-D514 PolarHBondContact N-OD2 3.47Å; E183-K515 IonicContact OE2-NZ 2.95Å; E183-K515 PolarHBondContact OE2-NZ 3.42Å | ||
| 184 | N | 73.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | trans | -134.8 | 120.5 | -173.3 | -73.4 | -89.5 | 0 | 0 | 0 | 111.5 | K285 D514 K515 | N184-K285 HydrophobicContact CB-CD 3.96Å; N184-K285 WeakPolarHBondContact OD1-CE 3.24Å; N184-K285 PolarHBondContact OD1-NZ 3Å; N184-D514 HydrophobicContact CB-CB 4.13Å; N184-D514 WeakPolarHBondContact CB-OD2 3.49Å; N184-D514 PolarHBondContact N-OD2 3.05Å; N184-D514 PolarHBondContact ND2-OD2 2.89Å; N184-K515 WeakPolarHBondContact ND2-CE 3.48Å | ||
| 185 | V | 79.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | trans | -128.5 | 150.5 | 178.1 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | F187 L214 W221 V224 P225 M287 L289 | V185-F187 HydrophobicContact CB-CE1 4.4Å; V185-F187 HydrophobicContact CG1-CD1 4.38Å; V185-F187 HydrophobicContact CG1-CE1 3.77Å; V185-F187 HydrophobicContact CG2-CD1 3.79Å; V185-F187 HydrophobicContact CG2-CE1 3.65Å; V185-L214 HydrophobicContact CG1-CD1 4.03Å; V185-W221 HydrophobicContact CB-CZ3 4.47Å; V185-W221 HydrophobicContact CG1-CE3 4.41Å; V185-W221 HydrophobicContact CG1-CZ3 4Å; V185-V224 HydrophobicContact CG1-CG1 3.93Å; V185-V224 HydrophobicContact CG1-CG2 3.92Å; V185-P225 WeakPolarHBondContact O-CD 3.29Å; V185-M287 HydrophobicContact CB-CE 3.35Å; V185-M287 HydrophobicContact CG2-CE 3.12Å; V185-L289 HydrophobicContact CG2-CB 3.86Å | ||
| 186 | A | 81.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P225 M287 L289 | A186-P225 HydrophobicContact CB-CG 4.01Å; A186-M287 PolarHBondContact N-O 3.06Å; A186-M287 VanDerWaalsContact N-O 3.17Å; A186-L289 PolarHBondContact O-N 2.89Å |
| 187 | F | 86.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.7 | 179.1 | -71.1 | -0.6 | 0 | 0 | 0 | 110.8 | V185 F189 M207 I210 N211 L214 V224 P225 I226 I227 L289 | V185-F187 HydrophobicContact CB-CE1 4.4Å; V185-F187 HydrophobicContact CG1-CD1 4.38Å; V185-F187 HydrophobicContact CG1-CE1 3.77Å; V185-F187 HydrophobicContact CG2-CD1 3.79Å; V185-F187 HydrophobicContact CG2-CE1 3.65Å; F187-F189 HydrophobicContact CB-CD1 4.24Å; F187-F189 HydrophobicContact CB-CE1 4.42Å; F187-M207 HydrophobicContact CB-CE 4.06Å; F187-M207 HydrophobicContact CB-SD 4.3Å; F187-M207 HydrophobicContact CD1-CE 4.47Å; F187-M207 HydrophobicContact CD1-SD 4.23Å; F187-M207 HydrophobicContact CD2-CB 4.18Å; F187-M207 HydrophobicContact CD2-CG 4.49Å; F187-M207 HydrophobicContact CD2-SD 3.87Å; F187-M207 HydrophobicContact CE2-CB 4.46Å; F187-M207 WeakPolarHBondContact CE2-O 3.34Å; F187-M207 HydrophobicContact CE2-SD 4.18Å; F187-M207 HydrophobicContact CG-CE 4.19Å; F187-M207 HydrophobicContact CG-SD 3.89Å; F187-I210 HydrophobicContact CE1-CG2 4.49Å; F187-I210 HydrophobicContact CZ-CB 4.39Å; F187-I210 HydrophobicContact CZ-CG2 3.84Å; F187-N211 HydrophobicContact CE2-CB 3.91Å; F187-L214 HydrophobicContact CE1-CD1 4.19Å; F187-L214 HydrophobicContact CZ-CD1 3.74Å; F187-V224 HydrophobicContact CB-CG1 4.35Å; F187-V224 HydrophobicContact CD1-CG1 3.59Å; F187-V224 HydrophobicContact CD2-CG1 3.89Å; F187-V224 HydrophobicContact CE1-CG1 3.75Å; F187-V224 HydrophobicContact CE2-CG1 4.06Å; F187-V224 HydrophobicContact CG-CG1 3.65Å; F187-V224 HydrophobicContact CZ-CG1 3.99Å; F187-P225 PolarHBondContact N-O 3.2Å; F187-I226 HydrophobicContact CD2-CG1 4.37Å; F187-I227 PolarHBondContact O-N 3.32Å; F187-L289 HydrophobicContact CD1-CB 3.9Å; F187-L289 HydrophobicContact CD1-CD2 3.84Å; F187-L289 HydrophobicContact CD1-CG 4.49Å; F187-L289 HydrophobicContact CE1-CB 4.21Å; F187-L289 HydrophobicContact CE1-CD2 3.47Å; F187-L289 VanDerWaalsContact CE1-CD2 3.47Å; F187-L289 HydrophobicContact CE1-CG 4.5Å; F187-L289 HydrophobicContact CZ-CD2 4.09Å |
| 188 | L | 89.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 109.3 | 176.2 | -178.6 | 56.7 | 0 | 0 | 0 | 109.1 | I227 F229 L240 L241 A244 I288 L289 V290 C291 L300 | L188-I227 WeakPolarHBondContact CA-O 3.19Å; L188-I227 HydrophobicContact CD1-CB 4.11Å; L188-I227 HydrophobicContact CD1-CG2 3.75Å; L188-F229 HydrophobicContact CD1-CD1 3.72Å; L188-F229 HydrophobicContact CD1-CE1 3.74Å; L188-F229 HydrophobicContact CG-CD1 4.43Å; L188-F229 HydrophobicContact CG-CE1 3.94Å; L188-L240 HydrophobicContact CD1-CB 4.42Å; L188-L241 HydrophobicContact CD2-CD2 4.3Å; L188-A244 HydrophobicContact CD2-CB 4.35Å; L188-I288 HydrophobicContact CB-CG2 4.01Å; L188-I288 HydrophobicContact CD2-CG2 4.32Å; L188-L289 PolarHBondContact N-O 2.88Å; L188-V290 CarbonylContact O-C 3.54Å; L188-V290 WeakPolarHBondContact O-CA 3.44Å; L188-C291 PolarHBondContact O-N 3.38Å; L188-L300 HydrophobicContact CD2-CD1 3.73Å; L188-L300 HydrophobicContact CD2-CD2 4.4Å; L188-L300 HydrophobicContact CG-CD1 4.36Å |
| 189 | F | 90.7 | Very high | 79.8 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 155 | -173.1 | 65.9 | -83.9 | 0 | 0 | 0 | 115.9 | F187 N191 C203 F204 M207 I226 I227 D228 F229 C291 | F187-F189 HydrophobicContact CB-CD1 4.24Å; F187-F189 HydrophobicContact CB-CE1 4.42Å; F189-N191 HydrophobicContact CE2-CB 4.17Å; F189-C203 HydrophobicContact CB-CB 4.27Å; F189-C203 HydrophobicContact CD2-CB 4.4Å; F189-F204 HydrophobicContact CD2-CB 4.44Å; F189-F204 HydrophobicContact CE2-CB 3.91Å; F189-F204 AromaticContact CE2-CD2 3.92Å; F189-F204 HydrophobicContact CE2-CD2 3.92Å; F189-F204 HydrophobicContact CE2-CG 4.39Å; F189-F204 HydrophobicContact CZ-CD2 4.26Å; F189-M207 HydrophobicContact CB-CE 3.8Å; F189-M207 HydrophobicContact CB-CG 3.83Å; F189-M207 HydrophobicContact CD1-CB 4.05Å; F189-M207 HydrophobicContact CD1-CE 4.1Å; F189-M207 HydrophobicContact CD1-CG 3.59Å; F189-M207 HydrophobicContact CD1-SD 4.5Å; F189-M207 HydrophobicContact CD2-CG 4.18Å; F189-M207 HydrophobicContact CE1-CB 4.09Å; F189-M207 HydrophobicContact CE1-CG 4.15Å; F189-M207 HydrophobicContact CG-CB 4.26Å; F189-M207 HydrophobicContact CG-CE 4.31Å; F189-M207 HydrophobicContact CG-CG 3.6Å; F189-M207 HydrophobicContact CZ-CB 4.37Å; F189-I226 HydrophobicContact CE1-CG2 3.5Å; F189-I226 VanDerWaalsContact CE1-CG2 3.5Å; F189-I226 HydrophobicContact CZ-CG2 3.83Å; F189-I227 PolarHBondContact N-O 3.35Å; F189-D228 HydrophobicContact CD2-CB 4.4Å; F189-D228 HydrophobicContact CE1-CB 4.36Å; F189-D228 HydrophobicContact CE2-CB 3.9Å; F189-D228 HydrophobicContact CZ-CB 3.89Å; F189-D228 VanDerWaalsContact O-CA 3.27Å; F189-D228 WeakPolarHBondContact O-CA 3.35Å; F189-F229 VanDerWaalsContact C-CE1 3.4Å; F189-F229 WeakPolarHBondContact O-CD1 3.12Å; F189-F229 PolarHBondContact O-N 3.21Å; F189-C291 CarbonylContact C-O 3.48Å; F189-C291 WeakPolarHBondContact CA-O 3.47Å; F189-C291 HydrophobicContact CB-CB 3.9Å; F189-C291 WeakPolarHBondContact CB-O 3.45Å |
| 190 | H | 88.9 | Confident | 79.7 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.5 | 174 | 168.9 | 46.4 | 0 | 0 | 0 | 111.8 | S201 C203 F229 D230 E231 F232 C291 | H190-S201 PolarHBondContact O-OG 3.38Å; H190-C203 VanDerWaalsContact O-CB 3.3Å; H190-C203 WeakPolarHBondContact O-CB 3.43Å; H190-F229 CarbonylContact C-O 3.6Å; H190-F229 VanDerWaalsContact CA-O 3.27Å; H190-F229 WeakPolarHBondContact CA-O 3.45Å; H190-F229 HydrophobicContact CB-CE2 4.26Å; H190-F229 HydrophobicContact CB-CZ 4.44Å; H190-F229 PolarHBondContact ND1-O 3.03Å; H190-D230 IonicContact CE1-OD1 3.78Å; H190-E231 HydrophobicContact CB-CB 4.39Å; H190-E231 HydrophobicContact CB-CG 4.31Å; H190-E231 WeakPolarHBondContact CB-OE2 3.46Å; H190-E231 IonicContact CD2-OE1 2.86Å; H190-E231 IonicContact CD2-OE2 2.72Å; H190-E231 VanDerWaalsContact CG-CD 3.47Å; H190-E231 IonicContact CG-OE1 3.27Å; H190-E231 IonicContact CG-OE2 2.72Å; H190-E231 PolarHBondContact ND1-N 3.41Å; H190-E231 IonicContact NE2-OE1 2.8Å; H190-F232 AromaticContact CE1-CD2 3.74Å; H190-F232 AromaticContact CE1-CE2 3.75Å; H190-F232 AromaticContact NE2-CD2 3.97Å; H190-F232 AromaticContact NE2-CE2 3.48Å; H190-F232 WeakPolarHBondContact NE2-CE2 3.5Å; H190-C291 PolarHBondContact N-O 3.36Å |
| 191 | N | 87.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -136.9 | 152.3 | 168.2 | -161.9 | 6.2 | 0 | 0 | 0 | 111.3 | F189 L193 S201 F204 D228 F229 D230 | F189-N191 HydrophobicContact CE2-CB 4.17Å; N191-L193 HydrophobicContact CB-CD2 4.49Å; N191-L193 HydrophobicContact CB-CG 4.33Å; N191-L193 PolarHBondContact O-N 3.36Å; N191-S201 WeakPolarHBondContact CA-OG 3.42Å; N191-F204 WeakPolarHBondContact ND2-CD2 3.46Å; N191-D228 HydrophobicContact CB-CB 3.83Å; N191-D228 PolarHBondContact ND2-OD2 3.38Å; N191-D228 VanDerWaalsContact ND2-OD2 3.15Å; N191-F229 PolarHBondContact N-O 2.92Å; N191-F229 VanDerWaalsContact O-O 3.11Å; N191-D230 WeakPolarHBondContact O-CA 3.15Å | ||
| 192 | N | 81 | Confident | 79.9 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | trans | -79.2 | 59.5 | 178.7 | -72.2 | -36.7 | 0 | 0 | 0 | 112.1 | R194 R195 G199 | N192-R194 PolarHBondContact O-N 3Å; N192-R195 HydrophobicContact CB-CB 4.31Å; N192-R195 CarbonylContact O-C 3.54Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH2 3.04Å; N192-G199 WeakPolarHBondContact CB-O 3.35Å; N192-G199 PolarHBondContact ND2-O 2.95Å | ||
| 193 | L | 78.2 | Confident | 80.2 | Confident | 66 Ų | 66 | 44 Ų | 44 | 35% | 0.346 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -62.7 | -42.8 | -175.2 | -68.2 | 176.4 | 0 | 0 | 0 | 112.9 | N191 D228 D230 | N191-L193 HydrophobicContact CB-CD2 4.49Å; N191-L193 HydrophobicContact CB-CG 4.33Å; N191-L193 PolarHBondContact O-N 3.36Å; L193-D228 WeakPolarHBondContact CD2-OD2 3.38Å; L193-D230 HydrophobicContact CB-CB 4.4Å; L193-D230 PolarHBondContact N-OD2 3.42Å |
| 194 | R | 74.9 | Confident | 80.9 | Confident | 155 Ų | 155 | 42 Ų | 42 | 59% | 0.585 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -90.8 | -8.5 | -178.8 | -64.8 | -177.8 | -177.5 | -179.9 | 5.2 | 112.7 | N192 D230 F233 | N192-R194 PolarHBondContact O-N 3Å; R194-D230 PolarHBondContact N-OD2 3.35Å; R194-F233 HydrophobicContact CB-CD2 4.07Å; R194-F233 HydrophobicContact CB-CE1 4.38Å; R194-F233 HydrophobicContact CB-CE2 3.52Å; R194-F233 HydrophobicContact CB-CZ 3.69Å; R194-F233 HydrophobicContact CG-CD2 4.36Å; R194-F233 HydrophobicContact CG-CE2 4.28Å |
| 195 | R | 70.7 | Confident | 81.7 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | trans | -122.7 | 49.4 | -174 | -71.7 | -175.8 | -53.9 | 167.2 | 20.1 | 111.8 | N192 A197 F198 D230 F232 F233 | N192-R195 HydrophobicContact CB-CB 4.31Å; N192-R195 CarbonylContact O-C 3.54Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH2 3.04Å; R195-A197 PolarHBondContact O-N 3.49Å; R195-F198 HydrophobicContact CB-CD2 3.9Å; R195-F198 HydrophobicContact CB-CE2 4.46Å; R195-F198 PolarHBondContact O-N 3.43Å; R195-D230 IonicContact NE-OD1 3.27Å; R195-D230 IonicContact NH2-OD1 3.8Å; R195-F232 VanDerWaalsContact CZ-CD2 3.41Å; R195-F232 VanDerWaalsContact CZ-CG 3.48Å; R195-F232 VanDerWaalsContact NH1-CG 3.3Å; R195-F232 VanDerWaalsContact NH2-CG 3.3Å; R195-F233 HydrophobicContact CG-CE2 3.97Å; R195-F233 HydrophobicContact CG-CZ 4.18Å | ||
| 196 | Q | 67.9 | Low | 82.3 | Confident | 164 Ų | 164 | 42.1 Ų | 42.1 | 77% | 0.766 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -57.5 | -25.5 | -173.5 | -63 | -177.3 | 0.6 | 0 | 0 | 114.5 | F198 G199 | Q196-F198 PolarHBondContact O-N 2.92Å; Q196-G199 PolarHBondContact O-N 3.2Å; Q196-G199 VanDerWaalsContact O-N 3.16Å |
| 197 | A | 66.3 | Low | 82.7 | Confident | 104 Ų | 104 | 42.2 Ų | 42.2 | 86% | 0.86 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -61.8 | -23.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R195 G199 | R195-A197 PolarHBondContact O-N 3.49Å; A197-G199 VanDerWaalsContact C-N 3.34Å |
| 198 | F | 69 | Low | 82.8 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -91.7 | 4 | 179.7 | -62.4 | -85.7 | 0 | 0 | 0 | 113.1 | W52 R195 Q196 | W52-F198 AromaticContact CD1-CD1 3.68Å; W52-F198 AromaticContact CD1-CE1 3.75Å; W52-F198 AromaticContact CD1-CG 3.99Å; W52-F198 AromaticContact NE1-CE1 3.6Å; W52-F198 AromaticContact NE1-CZ 3.68Å; R195-F198 HydrophobicContact CB-CD2 3.9Å; R195-F198 HydrophobicContact CB-CE2 4.46Å; R195-F198 PolarHBondContact O-N 3.43Å; Q196-F198 PolarHBondContact O-N 2.92Å |
| 199 | G | 75.7 | Confident | 82.9 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | trans | 73.2 | -172.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N192 Q196 A197 | N192-G199 WeakPolarHBondContact CB-O 3.35Å; N192-G199 PolarHBondContact ND2-O 2.95Å; Q196-G199 PolarHBondContact O-N 3.2Å; Q196-G199 VanDerWaalsContact O-N 3.16Å; A197-G199 VanDerWaalsContact C-N 3.34Å | ||
| 200 | K | 85.2 | Confident | 82.8 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | trans | -74.1 | 149.2 | 176.9 | -58.9 | -63 | -178 | -177.5 | 0 | 111.4 | Y122 F204 F205 | Y122-K200 PolarHBondContact OH-N 2.93Å; Y122-K200 PolarHBondContact OH-O 3.19Å; K200-F204 HydrophobicContact CB-CB 4.16Å; K200-F204 HydrophobicContact CB-CD1 3.45Å; K200-F204 VanDerWaalsContact CB-CD1 3.45Å; K200-F204 HydrophobicContact CB-CE1 4Å; K200-F204 HydrophobicContact CB-CG 3.88Å; K200-F204 HydrophobicContact CD-CD1 4.16Å; K200-F204 HydrophobicContact CD-CD2 4.23Å; K200-F204 HydrophobicContact CD-CE1 4.2Å; K200-F204 HydrophobicContact CD-CE2 4.27Å; K200-F204 HydrophobicContact CD-CG 4.18Å; K200-F204 HydrophobicContact CD-CZ 4.25Å; K200-F204 HydrophobicContact CG-CD1 3.7Å; K200-F204 HydrophobicContact CG-CE1 3.72Å; K200-F204 HydrophobicContact CG-CG 4.19Å; K200-F204 HydrophobicContact CG-CZ 4.23Å; K200-F205 HydrophobicContact CB-CE1 4.41Å; K200-F205 HydrophobicContact CB-CE2 4.14Å; K200-F205 HydrophobicContact CB-CZ 3.93Å | ||
| 201 | S | 86.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | trans | -72.5 | 162.7 | 177.9 | 65 | 0 | 0 | 0 | 0 | 112.2 | H190 N191 C203 F204 F205 | H190-S201 PolarHBondContact O-OG 3.38Å; N191-S201 WeakPolarHBondContact CA-OG 3.42Å; S201-C203 VanDerWaalsContact C-N 3.29Å; S201-C203 PolarHBondContact O-N 3.41Å; S201-F204 WeakPolarHBondContact O-CB 3.23Å; S201-F204 PolarHBondContact O-N 2.96Å; S201-F204 WeakPolarHBondContact OG-CB 3.45Å; S201-F204 PolarHBondContact OG-N 3.1Å; S201-F204 VanDerWaalsContact OG-N 3.07Å; S201-F205 VanDerWaalsContact O-CD2 3.23Å; S201-F205 WeakPolarHBondContact O-CD2 3.46Å; S201-F205 PolarHBondContact O-N 3Å | ||
| 202 | E | 86.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -36.7 | 172.3 | -63.2 | -62.4 | 136.4 | 0 | 0 | 112.2 | F56 Y166 F204 F205 Q206 H323 | F56-E202 HydrophobicContact CE2-CG 4.09Å; F56-E202 HydrophobicContact CZ-CG 4.24Å; F56-E202 WeakPolarHBondContact CZ-OE2 3.37Å; Y166-E202 PolarHBondContact OH-OE2 3.3Å; E202-F204 VanDerWaalsContact C-N 3.3Å; E202-F204 PolarHBondContact O-N 2.84Å; E202-F205 PolarHBondContact O-N 3.34Å; E202-F205 VanDerWaalsContact O-N 3.1Å; E202-Q206 WeakPolarHBondContact O-CG 3.46Å; E202-Q206 PolarHBondContact O-N 2.85Å; E202-H323 WeakPolarHBondContact CB-CE1 3.31Å; E202-H323 WeakPolarHBondContact CB-NE2 3.33Å; E202-H323 IonicContact OE2-NE2 3.52Å |
| 203 | C | 89.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 173.9 | -82.2 | 0 | 0 | 0 | 0 | 112.8 | F189 H190 S201 F205 Q206 M207 C291 | F189-C203 HydrophobicContact CB-CB 4.27Å; F189-C203 HydrophobicContact CD2-CB 4.4Å; H190-C203 VanDerWaalsContact O-CB 3.3Å; H190-C203 WeakPolarHBondContact O-CB 3.43Å; S201-C203 VanDerWaalsContact C-N 3.29Å; S201-C203 PolarHBondContact O-N 3.41Å; C203-F205 VanDerWaalsContact C-N 3.34Å; C203-F205 PolarHBondContact O-N 2.93Å; C203-Q206 PolarHBondContact O-N 3.45Å; C203-M207 WeakPolarHBondContact O-CB 2.95Å; C203-M207 VanDerWaalsContact O-CG 3.27Å; C203-M207 WeakPolarHBondContact O-CG 3.14Å; C203-M207 PolarHBondContact O-N 2.79Å; C203-C291 WeakPolarHBondContact CA-SG 3.47Å; C203-C291 HydrophobicContact CB-CB 3.73Å; C203-C291 WeakPolarHBondContact CB-SG 3.38Å; C203-C291 WeakPolarHBondContact SG-CB 3.27Å; C203-C291 PolarHBondContact SG-O 2.97Å; C203-C291 CovalentContact SG-SG 2.05Å; C203-C291 PolarHBondContact SG-SG 2.84Å |
| 204 | F | 90.3 | Very high | 83.4 | Confident | 51 Ų | 51 | 45 Ų | 45 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 172.4 | 172 | -87.7 | 0 | 0 | 0 | 111 | F189 N191 K200 S201 E202 M207 V208 | F189-F204 HydrophobicContact CD2-CB 4.44Å; F189-F204 HydrophobicContact CE2-CB 3.91Å; F189-F204 AromaticContact CE2-CD2 3.92Å; F189-F204 HydrophobicContact CE2-CD2 3.92Å; F189-F204 HydrophobicContact CE2-CG 4.39Å; F189-F204 HydrophobicContact CZ-CD2 4.26Å; N191-F204 WeakPolarHBondContact ND2-CD2 3.46Å; K200-F204 HydrophobicContact CB-CB 4.16Å; K200-F204 HydrophobicContact CB-CD1 3.45Å; K200-F204 VanDerWaalsContact CB-CD1 3.45Å; K200-F204 HydrophobicContact CB-CE1 4Å; K200-F204 HydrophobicContact CB-CG 3.88Å; K200-F204 HydrophobicContact CD-CD1 4.16Å; K200-F204 HydrophobicContact CD-CD2 4.23Å; K200-F204 HydrophobicContact CD-CE1 4.2Å; K200-F204 HydrophobicContact CD-CE2 4.27Å; K200-F204 HydrophobicContact CD-CG 4.18Å; K200-F204 HydrophobicContact CD-CZ 4.25Å; K200-F204 HydrophobicContact CG-CD1 3.7Å; K200-F204 HydrophobicContact CG-CE1 3.72Å; K200-F204 HydrophobicContact CG-CG 4.19Å; K200-F204 HydrophobicContact CG-CZ 4.23Å; S201-F204 WeakPolarHBondContact O-CB 3.23Å; S201-F204 PolarHBondContact O-N 2.96Å; S201-F204 WeakPolarHBondContact OG-CB 3.45Å; S201-F204 PolarHBondContact OG-N 3.1Å; S201-F204 VanDerWaalsContact OG-N 3.07Å; E202-F204 VanDerWaalsContact C-N 3.3Å; E202-F204 PolarHBondContact O-N 2.84Å; F204-M207 PolarHBondContact O-N 2.88Å; F204-V208 HydrophobicContact CD1-CG2 4.2Å; F204-V208 HydrophobicContact CE1-CG2 3.81Å; F204-V208 HydrophobicContact CE2-CG2 4.14Å; F204-V208 HydrophobicContact CZ-CG2 3.77Å; F204-V208 WeakPolarHBondContact O-CB 3.47Å; F204-V208 VanDerWaalsContact O-CG2 3.27Å; F204-V208 WeakPolarHBondContact O-CG2 3.18Å; F204-V208 PolarHBondContact O-N 2.97Å |
| 205 | F | 89.4 | Confident | 83.7 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 17% | 0.167 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | -179.8 | -67.6 | -58.3 | 0 | 0 | 0 | 113.1 | Y122 V147 Y166 K200 S201 E202 C203 A209 | Y122-F205 HydrophobicContact CE2-CE2 4.47Å; Y122-F205 WeakPolarHBondContact OH-CZ 3.27Å; V147-F205 HydrophobicContact CB-CD1 4.31Å; V147-F205 HydrophobicContact CB-CG 4.34Å; V147-F205 HydrophobicContact CG1-CB 3.8Å; V147-F205 HydrophobicContact CG1-CD1 3.88Å; V147-F205 HydrophobicContact CG1-CD2 3.59Å; V147-F205 HydrophobicContact CG1-CE1 4.33Å; V147-F205 HydrophobicContact CG1-CE2 4.07Å; V147-F205 HydrophobicContact CG1-CG 3.49Å; V147-F205 VanDerWaalsContact CG1-CG 3.49Å; V147-F205 HydrophobicContact CG1-CZ 4.4Å; Y166-F205 HydrophobicContact CD2-CB 4Å; Y166-F205 HydrophobicContact CE2-CB 3.99Å; K200-F205 HydrophobicContact CB-CE1 4.41Å; K200-F205 HydrophobicContact CB-CE2 4.14Å; K200-F205 HydrophobicContact CB-CZ 3.93Å; S201-F205 VanDerWaalsContact O-CD2 3.23Å; S201-F205 WeakPolarHBondContact O-CD2 3.46Å; S201-F205 PolarHBondContact O-N 3Å; E202-F205 PolarHBondContact O-N 3.34Å; E202-F205 VanDerWaalsContact O-N 3.1Å; C203-F205 VanDerWaalsContact C-N 3.34Å; C203-F205 PolarHBondContact O-N 2.93Å; F205-A209 PolarHBondContact O-N 3.3Å |
| 206 | Q | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -49.7 | 173.7 | -71.3 | 178.4 | 17.2 | 0 | 0 | 111.8 | Y166 L169 E202 C203 V208 A209 I210 C291 I322 H323 | Y166-Q206 HydrophobicContact CD1-CG 3.69Å; Y166-Q206 HydrophobicContact CD2-CG 4.1Å; Y166-Q206 HydrophobicContact CE1-CG 3.55Å; Y166-Q206 HydrophobicContact CE2-CG 3.95Å; Y166-Q206 HydrophobicContact CG-CG 3.99Å; L169-Q206 HydrophobicContact CD2-CB 3.92Å; L169-Q206 HydrophobicContact CD2-CG 3.92Å; E202-Q206 WeakPolarHBondContact O-CG 3.46Å; E202-Q206 PolarHBondContact O-N 2.85Å; C203-Q206 PolarHBondContact O-N 3.45Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 3.45Å; Q206-A209 PolarHBondContact O-N 3.08Å; Q206-I210 WeakPolarHBondContact O-CD1 3.35Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.48Å; Q206-I210 PolarHBondContact O-N 2.93Å; Q206-C291 PolarHBondContact OE1-SG 3.18Å; Q206-C291 VanDerWaalsContact OE1-SG 3.32Å; Q206-I322 HydrophobicContact CG-CD1 4.19Å; Q206-H323 PolarHBondContact NE2-CE1 2.86Å; Q206-H323 PolarHBondContact NE2-ND1 3.05Å |
| 207 | M | 91 | Very high | 84.6 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | -178.8 | -71.7 | -63.2 | -149.7 | 0 | 0 | 112.1 | F187 F189 C203 F204 I210 N211 L289 C291 | F187-M207 HydrophobicContact CB-CE 4.06Å; F187-M207 HydrophobicContact CB-SD 4.3Å; F187-M207 HydrophobicContact CD1-CE 4.47Å; F187-M207 HydrophobicContact CD1-SD 4.23Å; F187-M207 HydrophobicContact CD2-CB 4.18Å; F187-M207 HydrophobicContact CD2-CG 4.49Å; F187-M207 HydrophobicContact CD2-SD 3.87Å; F187-M207 HydrophobicContact CE2-CB 4.46Å; F187-M207 WeakPolarHBondContact CE2-O 3.34Å; F187-M207 HydrophobicContact CE2-SD 4.18Å; F187-M207 HydrophobicContact CG-CE 4.19Å; F187-M207 HydrophobicContact CG-SD 3.89Å; F189-M207 HydrophobicContact CB-CE 3.8Å; F189-M207 HydrophobicContact CB-CG 3.83Å; F189-M207 HydrophobicContact CD1-CB 4.05Å; F189-M207 HydrophobicContact CD1-CE 4.1Å; F189-M207 HydrophobicContact CD1-CG 3.59Å; F189-M207 HydrophobicContact CD1-SD 4.5Å; F189-M207 HydrophobicContact CD2-CG 4.18Å; F189-M207 HydrophobicContact CE1-CB 4.09Å; F189-M207 HydrophobicContact CE1-CG 4.15Å; F189-M207 HydrophobicContact CG-CB 4.26Å; F189-M207 HydrophobicContact CG-CE 4.31Å; F189-M207 HydrophobicContact CG-CG 3.6Å; F189-M207 HydrophobicContact CZ-CB 4.37Å; C203-M207 WeakPolarHBondContact O-CB 2.95Å; C203-M207 VanDerWaalsContact O-CG 3.27Å; C203-M207 WeakPolarHBondContact O-CG 3.14Å; C203-M207 PolarHBondContact O-N 2.79Å; F204-M207 PolarHBondContact O-N 2.88Å; M207-I210 PolarHBondContact O-N 2.71Å; M207-I210 HydrophobicContact SD-CD1 4.46Å; M207-N211 VanDerWaalsContact O-CB 3.29Å; M207-N211 WeakPolarHBondContact O-CB 3.48Å; M207-N211 PolarHBondContact O-N 3.27Å; M207-L289 HydrophobicContact CE-CB 4.26Å; M207-L289 HydrophobicContact CE-CD2 4.15Å; M207-L289 HydrophobicContact CE-CG 4.01Å; M207-L289 VanDerWaalsContact CE-O 3.29Å; M207-L289 WeakPolarHBondContact CE-O 3.4Å; M207-L289 HydrophobicContact SD-CD2 3.78Å; M207-L289 HydrophobicContact SD-CG 4.29Å; M207-C291 HydrophobicContact CE-CB 4.11Å |
| 208 | V | 89.3 | Confident | 84 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 172.6 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | F204 Q206 I210 N211 N212 | F204-V208 HydrophobicContact CD1-CG2 4.2Å; F204-V208 HydrophobicContact CE1-CG2 3.81Å; F204-V208 HydrophobicContact CE2-CG2 4.14Å; F204-V208 HydrophobicContact CZ-CG2 3.77Å; F204-V208 WeakPolarHBondContact O-CB 3.47Å; F204-V208 VanDerWaalsContact O-CG2 3.27Å; F204-V208 WeakPolarHBondContact O-CG2 3.18Å; F204-V208 PolarHBondContact O-N 2.97Å; Q206-V208 VanDerWaalsContact C-N 3.32Å; Q206-V208 PolarHBondContact O-N 3.45Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.12Å; V208-N211 PolarHBondContact O-N 2.95Å; V208-N212 WeakPolarHBondContact O-CB 3.46Å; V208-N212 PolarHBondContact O-N 2.91Å; V208-N212 PolarHBondContact O-ND2 2.86Å |
| 209 | A | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D148 Y166 F205 Q206 N212 Q213 | D148-A209 WeakPolarHBondContact OD1-CB 3.32Å; D148-A209 WeakPolarHBondContact OD2-CA 3.49Å; Y166-A209 WeakPolarHBondContact O-CB 3.37Å; F205-A209 PolarHBondContact O-N 3.3Å; Q206-A209 PolarHBondContact O-N 3.08Å; A209-N212 PolarHBondContact O-N 3.39Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 3.37Å; A209-Q213 VanDerWaalsContact O-N 3.11Å |
| 210 | I | 90.7 | Very high | 82 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.8 | -63.4 | 162 | 0 | 0 | 0 | 110.7 | L169 I173 F187 Q206 M207 V208 N212 Q213 L214 L289 I320 | L169-I210 HydrophobicContact CD2-CD1 3.82Å; L169-I210 HydrophobicContact CD2-CG1 4.15Å; L169-I210 HydrophobicContact CG-CD1 4.16Å; L169-I210 HydrophobicContact CG-CG1 4.26Å; I173-I210 HydrophobicContact CB-CG2 4.06Å; I173-I210 HydrophobicContact CG1-CD1 4.01Å; I173-I210 HydrophobicContact CG1-CG1 4.18Å; I173-I210 HydrophobicContact CG1-CG2 4.41Å; I173-I210 HydrophobicContact CG2-CG2 3.75Å; F187-I210 HydrophobicContact CE1-CG2 4.49Å; F187-I210 HydrophobicContact CZ-CB 4.39Å; F187-I210 HydrophobicContact CZ-CG2 3.84Å; Q206-I210 WeakPolarHBondContact O-CD1 3.35Å; Q206-I210 VanDerWaalsContact O-CG1 3.27Å; Q206-I210 WeakPolarHBondContact O-CG1 3.48Å; Q206-I210 PolarHBondContact O-N 2.93Å; M207-I210 PolarHBondContact O-N 2.71Å; M207-I210 HydrophobicContact SD-CD1 4.46Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.12Å; I210-N212 VanDerWaalsContact C-N 3.29Å; I210-N212 PolarHBondContact O-N 3.1Å; I210-Q213 PolarHBondContact O-N 2.91Å; I210-Q213 VanDerWaalsContact O-N 3.17Å; I210-L214 HydrophobicContact CG2-CD1 3.87Å; I210-L214 HydrophobicContact CG2-CG 4.34Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.35Å; I210-L289 HydrophobicContact CD1-CD2 4.11Å; I210-L289 HydrophobicContact CG2-CD2 4.13Å; I210-I320 HydrophobicContact CD1-CD1 3.3Å |
| 211 | N | 87.9 | Confident | 80.6 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -44.1 | 176.8 | -166 | 41.8 | 0 | 0 | 0 | 111.4 | F187 M207 V208 Q213 L214 L215 | F187-N211 HydrophobicContact CE2-CB 3.91Å; M207-N211 VanDerWaalsContact O-CB 3.29Å; M207-N211 WeakPolarHBondContact O-CB 3.48Å; M207-N211 PolarHBondContact O-N 3.27Å; V208-N211 PolarHBondContact O-N 2.95Å; N211-Q213 VanDerWaalsContact C-N 3.32Å; N211-Q213 PolarHBondContact O-N 3.26Å; N211-L214 PolarHBondContact O-N 3.33Å; N211-L215 WeakPolarHBondContact O-CB 3.26Å; N211-L215 VanDerWaalsContact O-CG 3.26Å; N211-L215 WeakPolarHBondContact O-CG 3.32Å; N211-L215 PolarHBondContact O-N 2.87Å |
| 212 | N | 86.8 | Confident | 79 | Confident | 56 Ų | 56 | 52.5 Ų | 52.5 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 179.1 | -71.7 | -21.8 | 0 | 0 | 0 | 111.9 | D148 V208 A209 I210 K216 | D148-N212 PolarHBondContact OD2-ND2 3.35Å; V208-N212 WeakPolarHBondContact O-CB 3.46Å; V208-N212 PolarHBondContact O-N 2.91Å; V208-N212 PolarHBondContact O-ND2 2.86Å; A209-N212 PolarHBondContact O-N 3.39Å; I210-N212 VanDerWaalsContact C-N 3.29Å; I210-N212 PolarHBondContact O-N 3.1Å; N212-K216 VanDerWaalsContact O-CG 3.27Å; N212-K216 WeakPolarHBondContact O-CG 3.42Å; N212-K216 PolarHBondContact O-N 3.14Å |
| 213 | Q | 87.6 | Confident | 77.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.3 | -38.5 | 176.9 | -63 | -47.4 | -41.9 | 0 | 0 | 112.4 | F171 V174 A209 I210 N211 L215 K216 A217 | F171-Q213 VanDerWaalsContact CE1-OE1 3.29Å; V174-Q213 HydrophobicContact CG2-CB 3.91Å; A209-Q213 WeakPolarHBondContact O-CG 3.41Å; A209-Q213 PolarHBondContact O-N 3.37Å; A209-Q213 VanDerWaalsContact O-N 3.11Å; I210-Q213 PolarHBondContact O-N 2.91Å; I210-Q213 VanDerWaalsContact O-N 3.17Å; N211-Q213 VanDerWaalsContact C-N 3.32Å; N211-Q213 PolarHBondContact O-N 3.26Å; Q213-L215 PolarHBondContact O-N 3.44Å; Q213-K216 PolarHBondContact O-N 3.47Å; Q213-A217 WeakPolarHBondContact O-CB 3.32Å; Q213-A217 PolarHBondContact O-N 3.02Å |
| 214 | L | 84.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 174.6 | -73.5 | 168.4 | 0 | 0 | 0 | 112.1 | V174 L177 V185 F187 I210 N211 K216 A217 W221 V224 | V174-L214 HydrophobicContact CG2-CD2 3.81Å; V174-L214 HydrophobicContact CG2-CG 4.11Å; L177-L214 HydrophobicContact CD1-CD2 3.83Å; V185-L214 HydrophobicContact CG1-CD1 4.03Å; F187-L214 HydrophobicContact CE1-CD1 4.19Å; F187-L214 HydrophobicContact CZ-CD1 3.74Å; I210-L214 HydrophobicContact CG2-CD1 3.87Å; I210-L214 HydrophobicContact CG2-CG 4.34Å; I210-L214 WeakPolarHBondContact O-CG 3.35Å; I210-L214 PolarHBondContact O-N 3.35Å; N211-L214 PolarHBondContact O-N 3.33Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.74Å; L214-A217 PolarHBondContact O-N 3.15Å; L214-W221 HydrophobicContact CD2-CD2 4.01Å; L214-W221 HydrophobicContact CD2-CE3 4.13Å; L214-W221 HydrophobicContact CD2-CH2 4.17Å; L214-W221 HydrophobicContact CD2-CZ2 4.06Å; L214-W221 HydrophobicContact CD2-CZ3 4.21Å; L214-V224 HydrophobicContact CD1-CG2 4.46Å |
| 215 | L | 81.6 | Confident | 75.4 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.9 | -29.7 | 177.1 | -70.4 | 171.1 | 0 | 0 | 0 | 112.8 | N211 Q213 | N211-L215 WeakPolarHBondContact O-CB 3.26Å; N211-L215 VanDerWaalsContact O-CG 3.26Å; N211-L215 WeakPolarHBondContact O-CG 3.32Å; N211-L215 PolarHBondContact O-N 2.87Å; Q213-L215 PolarHBondContact O-N 3.44Å |
| 216 | K | 82 | Confident | 74.7 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 64% | 0.635 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -81 | -33.6 | 177.5 | -75.2 | 173.6 | -176.6 | 176.9 | 0 | 113 | N212 Q213 L214 R218 | N212-K216 VanDerWaalsContact O-CG 3.27Å; N212-K216 WeakPolarHBondContact O-CG 3.42Å; N212-K216 PolarHBondContact O-N 3.14Å; Q213-K216 PolarHBondContact O-N 3.47Å; L214-K216 VanDerWaalsContact C-N 3.27Å; L214-K216 PolarHBondContact O-N 2.74Å; K216-R218 PolarHBondContact O-N 3.29Å |
| 217 | A | 74.6 | Confident | 74.3 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -65.4 | 105.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V174 Q213 L214 G219 | V174-A217 HydrophobicContact CG1-CB 3.87Å; Q213-A217 WeakPolarHBondContact O-CB 3.32Å; Q213-A217 PolarHBondContact O-N 3.02Å; L214-A217 PolarHBondContact O-N 3.15Å; A217-G219 PolarHBondContact O-N 3.23Å |
| 218 | R | 53.7 | Low | 74.1 | Confident | 261 Ų | 261 | 63 Ų | 63 | 99% | 0.985 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -53.7 | 95.9 | 178.6 | -74.2 | -179.4 | 172.1 | 177.2 | -2.3 | 110.5 | K216 | K216-R218 PolarHBondContact O-N 3.29Š|
| 219 | G | 53.3 | Low | 74 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -167.5 | 14.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A217 W221 | A217-G219 PolarHBondContact O-N 3.23Å; G219-W221 VanDerWaalsContact C-N 3.35Å; G219-W221 PolarHBondContact O-N 2.85Å |
| 220 | G | 50.9 | Low | 73.8 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 68% | 0.68 | 32% | 0.318 | S | S | * | . | trans | 76.4 | 16.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L222 | G220-L222 VanDerWaalsContact C-N 3.3Å; G220-L222 PolarHBondContact O-N 3.26Å | ||
| 221 | W | 55.6 | Low | 73.4 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | trans | -61.4 | 87.5 | 171.3 | -60.7 | 97.2 | 0 | 0 | 0 | 110.8 | L177 Y182 E183 V185 L214 G219 | L177-W221 HydrophobicContact CB-CH2 4.12Å; L177-W221 HydrophobicContact CB-CZ2 4.33Å; L177-W221 HydrophobicContact CD1-CH2 3.84Å; L177-W221 HydrophobicContact CD1-CZ2 4.49Å; L177-W221 HydrophobicContact CD1-CZ3 4.37Å; Y182-W221 WeakPolarHBondContact O-CH2 3.39Å; Y182-W221 WeakPolarHBondContact O-CZ2 3.45Å; E183-W221 VanDerWaalsContact CA-CH2 3.46Å; E183-W221 WeakPolarHBondContact O-CZ3 3.47Å; V185-W221 HydrophobicContact CB-CZ3 4.47Å; V185-W221 HydrophobicContact CG1-CE3 4.41Å; V185-W221 HydrophobicContact CG1-CZ3 4Å; L214-W221 HydrophobicContact CD2-CD2 4.01Å; L214-W221 HydrophobicContact CD2-CE3 4.13Å; L214-W221 HydrophobicContact CD2-CH2 4.17Å; L214-W221 HydrophobicContact CD2-CZ2 4.06Å; L214-W221 HydrophobicContact CD2-CZ3 4.21Å; G219-W221 VanDerWaalsContact C-N 3.35Å; G219-W221 PolarHBondContact O-N 2.85Å | ||
| 222 | L | 52.4 | Low | 72.9 | Confident | 159 Ų | 159 | 64.3 Ų | 64.3 | 83% | 0.832 | 33% | 0.333 | S | S | * | . | trans | -74.4 | 149.2 | 170.8 | -84.8 | 142.1 | 0 | 0 | 0 | 109.9 | G220 V224 | G220-L222 VanDerWaalsContact C-N 3.3Å; G220-L222 PolarHBondContact O-N 3.26Å; L222-V224 PolarHBondContact O-N 3.38Å | ||
| 223 | Q | 58.3 | Low | 72.5 | Confident | 163 Ų | 163 | 65.1 Ų | 65.1 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | trans | -21.2 | 110.6 | -174.5 | -88.6 | -174.9 | -26.7 | 0 | 0 | 114.6 | ||||
| 224 | V | 65.3 | Low | 71.8 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | trans | -65.7 | 125.5 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | V185 F187 L214 L222 I226 | V185-V224 HydrophobicContact CG1-CG1 3.93Å; V185-V224 HydrophobicContact CG1-CG2 3.92Å; F187-V224 HydrophobicContact CB-CG1 4.35Å; F187-V224 HydrophobicContact CD1-CG1 3.59Å; F187-V224 HydrophobicContact CD2-CG1 3.89Å; F187-V224 HydrophobicContact CE1-CG1 3.75Å; F187-V224 HydrophobicContact CE2-CG1 4.06Å; F187-V224 HydrophobicContact CG-CG1 3.65Å; F187-V224 HydrophobicContact CZ-CG1 3.99Å; L214-V224 HydrophobicContact CD1-CG2 4.46Å; L222-V224 PolarHBondContact O-N 3.38Å; V224-I226 PolarHBondContact O-N 3.43Å | ||
| 225 | P | 66.4 | Low | 71.2 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | trans | -64.9 | 122.5 | 172.2 | 25.1 | -32.3 | 0 | 0 | 0 | 110.1 | V185 A186 F187 A247 A248 | V185-P225 WeakPolarHBondContact O-CD 3.29Å; A186-P225 HydrophobicContact CB-CG 4.01Å; F187-P225 PolarHBondContact N-O 3.2Å; P225-A247 HydrophobicContact CB-CB 4.01Å; P225-A247 WeakPolarHBondContact CB-O 3.36Å; P225-A248 HydrophobicContact CG-CB 4.06Å | ||
| 226 | I | 75.8 | Confident | 71.3 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.9 | -176.5 | -66.8 | 167.2 | 0 | 0 | 0 | 108.5 | F187 F189 V224 | F187-I226 HydrophobicContact CD2-CG1 4.37Å; F189-I226 HydrophobicContact CE1-CG2 3.5Å; F189-I226 VanDerWaalsContact CE1-CG2 3.5Å; F189-I226 HydrophobicContact CZ-CG2 3.83Å; V224-I226 PolarHBondContact O-N 3.43Å |
| 227 | I | 82.4 | Confident | 71.4 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 111.2 | 171.1 | -63.5 | 164.8 | 0 | 0 | 0 | 108.1 | F187 L188 F189 L240 R243 A244 A247 | F187-I227 PolarHBondContact O-N 3.32Å; L188-I227 WeakPolarHBondContact CA-O 3.19Å; L188-I227 HydrophobicContact CD1-CB 4.11Å; L188-I227 HydrophobicContact CD1-CG2 3.75Å; F189-I227 PolarHBondContact N-O 3.35Å; I227-L240 HydrophobicContact CG2-CD2 4.03Å; I227-R243 HydrophobicContact CD1-CB 3.91Å; I227-R243 WeakPolarHBondContact CD1-O 3.44Å; I227-A244 HydrophobicContact CD1-CB 3.69Å; I227-A247 HydrophobicContact CD1-CB 4.19Å |
| 228 | D | 86 | Confident | 71.8 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 148.8 | 172.2 | 56.3 | -5.4 | 0 | 0 | 0 | 111.9 | F189 N191 L193 | F189-D228 HydrophobicContact CD2-CB 4.4Å; F189-D228 HydrophobicContact CE1-CB 4.36Å; F189-D228 HydrophobicContact CE2-CB 3.9Å; F189-D228 HydrophobicContact CZ-CB 3.89Å; F189-D228 VanDerWaalsContact O-CA 3.27Å; F189-D228 WeakPolarHBondContact O-CA 3.35Å; N191-D228 HydrophobicContact CB-CB 3.83Å; N191-D228 PolarHBondContact ND2-OD2 3.38Å; N191-D228 VanDerWaalsContact ND2-OD2 3.15Å; L193-D228 WeakPolarHBondContact CD2-OD2 3.38Å |
| 229 | F | 88.4 | Confident | 73.1 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 161.1 | 178.1 | 63.6 | -90.3 | 0 | 0 | 0 | 110.9 | L188 F189 H190 N191 E231 Q235 L240 A292 T296 | L188-F229 HydrophobicContact CD1-CD1 3.72Å; L188-F229 HydrophobicContact CD1-CE1 3.74Å; L188-F229 HydrophobicContact CG-CD1 4.43Å; L188-F229 HydrophobicContact CG-CE1 3.94Å; F189-F229 VanDerWaalsContact C-CE1 3.4Å; F189-F229 WeakPolarHBondContact O-CD1 3.12Å; F189-F229 PolarHBondContact O-N 3.21Å; H190-F229 CarbonylContact C-O 3.6Å; H190-F229 VanDerWaalsContact CA-O 3.27Å; H190-F229 WeakPolarHBondContact CA-O 3.45Å; H190-F229 HydrophobicContact CB-CE2 4.26Å; H190-F229 HydrophobicContact CB-CZ 4.44Å; H190-F229 PolarHBondContact ND1-O 3.03Å; N191-F229 PolarHBondContact N-O 2.92Å; N191-F229 VanDerWaalsContact O-O 3.11Å; F229-E231 HydrophobicContact CD2-CB 4.42Å; F229-E231 HydrophobicContact CE2-CB 4.01Å; F229-Q235 HydrophobicContact CD2-CG 4.35Å; F229-L240 HydrophobicContact CB-CD1 3.8Å; F229-L240 HydrophobicContact CB-CD2 3.95Å; F229-L240 HydrophobicContact CD1-CD1 4.07Å; F229-L240 HydrophobicContact CD2-CD1 4.29Å; F229-L240 HydrophobicContact CG-CD1 3.78Å; F229-A292 HydrophobicContact CZ-CB 3.92Å; F229-T296 HydrophobicContact CE2-CG2 3.77Å; F229-T296 HydrophobicContact CZ-CG2 4.1Å |
| 230 | D | 85.3 | Confident | 74.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | trans | -106 | 103.8 | 179.7 | -159.5 | -32.2 | 0 | 0 | 0 | 109.4 | H190 N191 L193 R194 R195 F232 F233 Q235 | H190-D230 IonicContact CE1-OD1 3.78Å; N191-D230 WeakPolarHBondContact O-CA 3.15Å; L193-D230 HydrophobicContact CB-CB 4.4Å; L193-D230 PolarHBondContact N-OD2 3.42Å; R194-D230 PolarHBondContact N-OD2 3.35Å; R195-D230 IonicContact NE-OD1 3.27Å; R195-D230 IonicContact NH2-OD1 3.8Å; D230-F232 PolarHBondContact O-N 3.13Å; D230-F232 VanDerWaalsContact O-N 3.16Å; D230-F233 HydrophobicContact CB-CD2 3.98Å; D230-F233 VanDerWaalsContact CG-CD2 3.49Å; D230-F233 PolarHBondContact O-N 3.46Å; D230-Q235 PolarHBondContact O-NE2 3.08Å | ||
| 231 | E | 82.5 | Confident | 75.9 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16 | -172.1 | 72.6 | -172.9 | -172.6 | 0 | 0 | 113.6 | H190 F229 F233 S293 T296 | H190-E231 HydrophobicContact CB-CB 4.39Å; H190-E231 HydrophobicContact CB-CG 4.31Å; H190-E231 WeakPolarHBondContact CB-OE2 3.46Å; H190-E231 IonicContact CD2-OE1 2.86Å; H190-E231 IonicContact CD2-OE2 2.72Å; H190-E231 VanDerWaalsContact CG-CD 3.47Å; H190-E231 IonicContact CG-OE1 3.27Å; H190-E231 IonicContact CG-OE2 2.72Å; H190-E231 PolarHBondContact ND1-N 3.41Å; H190-E231 IonicContact NE2-OE1 2.8Å; F229-E231 HydrophobicContact CD2-CB 4.42Å; F229-E231 HydrophobicContact CE2-CB 4.01Å; E231-F233 VanDerWaalsContact C-N 3.29Å; E231-S293 PolarHBondContact OE2-N 3.43Å; E231-T296 HydrophobicContact CB-CG2 4.28Å |
| 232 | F | 77.9 | Confident | 76.9 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 3.9 | -179.5 | -60.9 | -88.9 | 0 | 0 | 0 | 113.4 | W52 H190 R195 D230 | W52-F232 HydrophobicContact CB-CE2 4.36Å; W52-F232 HydrophobicContact CB-CZ 4.22Å; W52-F232 AromaticContact CE3-CD1 3.77Å; W52-F232 HydrophobicContact CE3-CD1 3.77Å; W52-F232 AromaticContact CE3-CE1 3.54Å; W52-F232 HydrophobicContact CE3-CE1 3.54Å; W52-F232 HydrophobicContact CE3-CZ 4.09Å; W52-F232 HydrophobicContact CZ3-CD1 4.04Å; W52-F232 HydrophobicContact CZ3-CE1 4.07Å; H190-F232 AromaticContact CE1-CD2 3.74Å; H190-F232 AromaticContact CE1-CE2 3.75Å; H190-F232 AromaticContact NE2-CD2 3.97Å; H190-F232 AromaticContact NE2-CE2 3.48Å; H190-F232 WeakPolarHBondContact NE2-CE2 3.5Å; R195-F232 VanDerWaalsContact CZ-CD2 3.41Å; R195-F232 VanDerWaalsContact CZ-CG 3.48Å; R195-F232 VanDerWaalsContact NH1-CG 3.3Å; R195-F232 VanDerWaalsContact NH2-CG 3.3Å; D230-F232 PolarHBondContact O-N 3.13Å; D230-F232 VanDerWaalsContact O-N 3.16Å |
| 233 | F | 78.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -124.1 | 159.1 | 173.6 | -67 | -93.9 | 0 | 0 | 0 | 109.8 | R194 R195 D230 E231 Q235 | R194-F233 HydrophobicContact CB-CD2 4.07Å; R194-F233 HydrophobicContact CB-CE1 4.38Å; R194-F233 HydrophobicContact CB-CE2 3.52Å; R194-F233 HydrophobicContact CB-CZ 3.69Å; R194-F233 HydrophobicContact CG-CD2 4.36Å; R194-F233 HydrophobicContact CG-CE2 4.28Å; R195-F233 HydrophobicContact CG-CE2 3.97Å; R195-F233 HydrophobicContact CG-CZ 4.18Å; D230-F233 HydrophobicContact CB-CD2 3.98Å; D230-F233 VanDerWaalsContact CG-CD2 3.49Å; D230-F233 PolarHBondContact O-N 3.46Å; E231-F233 VanDerWaalsContact C-N 3.29Å; F233-Q235 WeakPolarHBondContact O-CG 3.33Å; F233-Q235 PolarHBondContact O-N 3.38Å; F233-Q235 VanDerWaalsContact O-N 3.11Å |
| 234 | E | 71.3 | Confident | 78.3 | Confident | 192 Ų | 192 | 48.5 Ų | 48.5 | 90% | 0.897 | 23% | 0.23 | S | C | * | . | trans | -59.2 | 117.5 | 176.3 | -146 | 169 | -162.2 | 0 | 0 | 110.1 | ||||
| 235 | Q | 73.8 | Confident | 78.3 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | trans | -115.2 | 141.5 | 180 | -64.6 | -55.4 | -29.5 | 0 | 0 | 110.1 | F229 D230 F233 Y237 L240 | F229-Q235 HydrophobicContact CD2-CG 4.35Å; D230-Q235 PolarHBondContact O-NE2 3.08Å; F233-Q235 WeakPolarHBondContact O-CG 3.33Å; F233-Q235 PolarHBondContact O-N 3.38Å; F233-Q235 VanDerWaalsContact O-N 3.11Å; Q235-Y237 HydrophobicContact CB-CD1 4.34Å; Q235-Y237 HydrophobicContact CB-CE1 4.04Å; Q235-Y237 PolarHBondContact O-N 2.91Å; Q235-L240 HydrophobicContact CB-CD1 4.06Å; Q235-L240 HydrophobicContact CG-CD1 4.4Å | ||
| 236 | N | 83.7 | Confident | 77.9 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | trans | -86.6 | 90.4 | 166.1 | -170.9 | -17.1 | 0 | 0 | 0 | 109 | E238 D239 L240 | N236-E238 PolarHBondContact O-N 2.84Å; N236-E238 VanDerWaalsContact OD1-CB 3.32Å; N236-E238 WeakPolarHBondContact OD1-CB 3.47Å; N236-E238 PolarHBondContact OD1-N 3.1Å; N236-D239 HydrophobicContact CB-CB 4.12Å; N236-D239 PolarHBondContact O-N 2.84Å; N236-D239 VanDerWaalsContact O-N 3.12Å; N236-D239 PolarHBondContact OD1-N 2.95Å; N236-L240 PolarHBondContact O-N 2.75Å | ||
| 237 | Y | 83.8 | Confident | 76.9 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.122 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -27.7 | -179.5 | -61.4 | -67.6 | 0 | 0 | 0 | 113.1 | Q235 L240 L241 T296 K299 | Q235-Y237 HydrophobicContact CB-CD1 4.34Å; Q235-Y237 HydrophobicContact CB-CE1 4.04Å; Q235-Y237 PolarHBondContact O-N 2.91Å; Y237-L240 HydrophobicContact CD1-CD1 4.11Å; Y237-L240 PolarHBondContact O-N 3.11Å; Y237-L241 WeakPolarHBondContact O-CB 3.35Å; Y237-L241 WeakPolarHBondContact O-CG 3.49Å; Y237-L241 PolarHBondContact O-N 3.25Å; Y237-T296 HydrophobicContact CE1-CG2 3.71Å; Y237-K299 HydrophobicContact CD2-CB 4.14Å; Y237-K299 HydrophobicContact CE2-CB 3.82Å; Y237-K299 HydrophobicContact CE2-CD 3.85Å; Y237-K299 HydrophobicContact CE2-CG 4.41Å |
| 238 | E | 82.8 | Confident | 75.3 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 176.4 | -161.6 | -170.4 | 143.2 | 0 | 0 | 111 | N236 L241 K242 V303 L307 | N236-E238 PolarHBondContact O-N 2.84Å; N236-E238 VanDerWaalsContact OD1-CB 3.32Å; N236-E238 WeakPolarHBondContact OD1-CB 3.47Å; N236-E238 PolarHBondContact OD1-N 3.1Å; E238-L241 PolarHBondContact O-N 2.8Å; E238-K242 HydrophobicContact CG-CD 4.36Å; E238-K242 WeakPolarHBondContact O-CB 3.19Å; E238-K242 VanDerWaalsContact O-CG 3.24Å; E238-K242 WeakPolarHBondContact O-CG 3.25Å; E238-K242 PolarHBondContact O-N 3.36Å; E238-K242 WeakPolarHBondContact OE1-CE 3.41Å; E238-K242 IonicContact OE1-NZ 3.86Å; E238-K242 PolarHBondContact OE1-NZ 3.08Å; E238-V303 HydrophobicContact CB-CG1 3.95Å; E238-V303 HydrophobicContact CG-CG1 4.29Å; E238-L307 HydrophobicContact CG-CD1 3.97Å; E238-L307 HydrophobicContact CG-CD2 3.88Å; E238-L307 HydrophobicContact CG-CG 4.26Å |
| 239 | D | 80.3 | Confident | 73.2 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.1 | -177.3 | 62.7 | 0 | 0 | 0 | 111.6 | N236 L241 K242 R243 | N236-D239 HydrophobicContact CB-CB 4.12Å; N236-D239 PolarHBondContact O-N 2.84Å; N236-D239 VanDerWaalsContact O-N 3.12Å; N236-D239 PolarHBondContact OD1-N 2.95Å; D239-L241 PolarHBondContact O-N 2.98Å; D239-K242 PolarHBondContact O-N 3.42Å; D239-R243 VanDerWaalsContact O-CB 3.31Å; D239-R243 WeakPolarHBondContact O-CB 3.36Å; D239-R243 VanDerWaalsContact O-CG 3.23Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.41Å; D239-R243 WeakPolarHBondContact OD2-CD 3.48Å; D239-R243 IonicContact OD2-NH1 3.44Å |
| 240 | L | 82.6 | Confident | 71 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 177 | -70.1 | 175.5 | 0 | 0 | 0 | 111.9 | L188 I227 F229 Q235 N236 Y237 R243 A244 | L188-L240 HydrophobicContact CD1-CB 4.42Å; I227-L240 HydrophobicContact CG2-CD2 4.03Å; F229-L240 HydrophobicContact CB-CD1 3.8Å; F229-L240 HydrophobicContact CB-CD2 3.95Å; F229-L240 HydrophobicContact CD1-CD1 4.07Å; F229-L240 HydrophobicContact CD2-CD1 4.29Å; F229-L240 HydrophobicContact CG-CD1 3.78Å; Q235-L240 HydrophobicContact CB-CD1 4.06Å; Q235-L240 HydrophobicContact CG-CD1 4.4Å; N236-L240 PolarHBondContact O-N 2.75Å; Y237-L240 HydrophobicContact CD1-CD1 4.11Å; Y237-L240 PolarHBondContact O-N 3.11Å; L240-R243 PolarHBondContact O-N 3.49Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 2.74Å |
| 241 | L | 81.1 | Confident | 68.8 | Low | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.4 | -74.6 | 170.6 | 0 | 0 | 0 | 111.8 | L188 Y237 E238 D239 R243 A244 S245 L300 V303 A304 L307 M309 F317 | L188-L241 HydrophobicContact CD2-CD2 4.3Å; Y237-L241 WeakPolarHBondContact O-CB 3.35Å; Y237-L241 WeakPolarHBondContact O-CG 3.49Å; Y237-L241 PolarHBondContact O-N 3.25Å; E238-L241 PolarHBondContact O-N 2.8Å; D239-L241 PolarHBondContact O-N 2.98Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.42Å; L241-A244 PolarHBondContact O-N 3.48Å; L241-S245 VanDerWaalsContact O-CB 3.23Å; L241-S245 WeakPolarHBondContact O-CB 3.3Å; L241-S245 PolarHBondContact O-N 2.81Å; L241-L300 HydrophobicContact CD2-CD2 3.74Å; L241-L300 HydrophobicContact CD2-CG 4.19Å; L241-L300 HydrophobicContact CG-CD2 4.48Å; L241-L300 HydrophobicContact CG-CG 4.44Å; L241-V303 HydrophobicContact CD1-CB 4.04Å; L241-V303 HydrophobicContact CD1-CG1 3.89Å; L241-A304 HydrophobicContact CD1-CB 3.9Å; L241-L307 HydrophobicContact CB-CD1 4.08Å; L241-L307 HydrophobicContact CD1-CD1 4.04Å; L241-M309 HydrophobicContact CB-SD 4.27Å; L241-M309 HydrophobicContact CD1-SD 4.49Å; L241-M309 HydrophobicContact CD2-SD 4.45Å; L241-F317 HydrophobicContact CD2-CE1 3.81Å; L241-F317 HydrophobicContact CD2-CZ 4.26Å |
| 242 | K | 75.4 | Confident | 66.5 | Low | 72 Ų | 72 | 71 Ų | 71 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.8 | -76 | 172.1 | 172.3 | 174.9 | 0 | 112.4 | E238 D239 S245 F246 | E238-K242 HydrophobicContact CG-CD 4.36Å; E238-K242 WeakPolarHBondContact O-CB 3.19Å; E238-K242 VanDerWaalsContact O-CG 3.24Å; E238-K242 WeakPolarHBondContact O-CG 3.25Å; E238-K242 PolarHBondContact O-N 3.36Å; E238-K242 WeakPolarHBondContact OE1-CE 3.41Å; E238-K242 IonicContact OE1-NZ 3.86Å; E238-K242 PolarHBondContact OE1-NZ 3.08Å; D239-K242 PolarHBondContact O-N 3.42Å; K242-S245 VanDerWaalsContact O-CB 3.24Å; K242-S245 WeakPolarHBondContact O-CB 3.49Å; K242-S245 PolarHBondContact O-OG 3.17Å; K242-F246 VanDerWaalsContact O-CB 3.24Å; K242-F246 WeakPolarHBondContact O-CB 3.21Å; K242-F246 PolarHBondContact O-N 3.4Å |
| 243 | R | 71.4 | Confident | 64.2 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 174.9 | -73.9 | 170.6 | 61.1 | -167.1 | -4.6 | 111.9 | I227 D239 L240 L241 S245 F246 A247 | I227-R243 HydrophobicContact CD1-CB 3.91Å; I227-R243 WeakPolarHBondContact CD1-O 3.44Å; D239-R243 VanDerWaalsContact O-CB 3.31Å; D239-R243 WeakPolarHBondContact O-CB 3.36Å; D239-R243 VanDerWaalsContact O-CG 3.23Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.41Å; D239-R243 WeakPolarHBondContact OD2-CD 3.48Å; D239-R243 IonicContact OD2-NH1 3.44Å; L240-R243 PolarHBondContact O-N 3.49Å; L241-R243 VanDerWaalsContact C-N 3.31Å; L241-R243 PolarHBondContact O-N 3.42Å; R243-S245 PolarHBondContact O-N 2.92Å; R243-F246 PolarHBondContact O-N 3.36Å; R243-A247 VanDerWaalsContact O-CB 3.23Å; R243-A247 WeakPolarHBondContact O-CB 3.48Å; R243-A247 PolarHBondContact O-N 2.81Å |
| 244 | A | 69.6 | Low | 62.1 | Low | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L188 I227 L240 L241 I288 | L188-A244 HydrophobicContact CD2-CB 4.35Å; I227-A244 HydrophobicContact CD1-CB 3.69Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 2.74Å; L241-A244 PolarHBondContact O-N 3.48Å; A244-I288 HydrophobicContact CB-CD1 4.46Å |
| 245 | S | 65.1 | Low | 60.3 | Low | 15 Ų | 15 | 76 Ų | 76 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 165.1 | 152.5 | 0 | 0 | 0 | 0 | 113.6 | L241 K242 R243 F283 L284 | L241-S245 VanDerWaalsContact O-CB 3.23Å; L241-S245 WeakPolarHBondContact O-CB 3.3Å; L241-S245 PolarHBondContact O-N 2.81Å; K242-S245 VanDerWaalsContact O-CB 3.24Å; K242-S245 WeakPolarHBondContact O-CB 3.49Å; K242-S245 PolarHBondContact O-OG 3.17Å; R243-S245 PolarHBondContact O-N 2.92Å; S245-F283 PolarHBondContact OG-O 2.91Å; S245-F283 VanDerWaalsContact OG-O 3.11Å; S245-L284 WeakPolarHBondContact OG-CD2 3.47Å; S245-L284 WeakPolarHBondContact OG-CG 3.28Å |
| 246 | F | 58.9 | Low | 58.4 | Low | 75 Ų | 75 | 79.4 Ų | 79.4 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -83.7 | -39.4 | -167.9 | -170.5 | -91.6 | 0 | 0 | 0 | 115.3 | K242 R243 A248 N249 | K242-F246 VanDerWaalsContact O-CB 3.24Å; K242-F246 WeakPolarHBondContact O-CB 3.21Å; K242-F246 PolarHBondContact O-N 3.4Å; R243-F246 PolarHBondContact O-N 3.36Å; F246-A248 PolarHBondContact O-N 3.32Å; F246-N249 PolarHBondContact O-N 2.94Å; F246-N249 VanDerWaalsContact O-N 3.14Å |
| 247 | A | 53.9 | Low | 55.9 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -8.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P225 I227 R243 | P225-A247 HydrophobicContact CB-CB 4.01Å; P225-A247 WeakPolarHBondContact CB-O 3.36Å; I227-A247 HydrophobicContact CD1-CB 4.19Å; R243-A247 VanDerWaalsContact O-CB 3.23Å; R243-A247 WeakPolarHBondContact O-CB 3.48Å; R243-A247 PolarHBondContact O-N 2.81Å |
| 248 | A | 49.7 | Very low | 53.7 | Low | 11 Ų | 11 | 85.1 Ų | 85.1 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P225 F246 G250 K285 | P225-A248 HydrophobicContact CG-CB 4.06Å; F246-A248 PolarHBondContact O-N 3.32Å; A248-G250 PolarHBondContact O-N 2.93Å; A248-K285 HydrophobicContact CB-CB 4Å; A248-K285 HydrophobicContact CB-CD 3.43Å; A248-K285 VanDerWaalsContact CB-CD 3.43Å; A248-K285 HydrophobicContact CB-CG 3.47Å; A248-K285 VanDerWaalsContact CB-CG 3.47Å |
| 249 | N | 42 | Very low | 51.4 | Low | 49 Ų | 49 | 87.1 Ų | 87.1 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -77.9 | 105.5 | 169.3 | -95.6 | -25.1 | 0 | 0 | 0 | 109.8 | F246 K251 F283 F520 | F246-N249 PolarHBondContact O-N 2.94Å; F246-N249 VanDerWaalsContact O-N 3.14Å; N249-K251 PolarHBondContact O-N 3.41Å; N249-F283 WeakPolarHBondContact ND2-CD1 3.39Å; N249-F520 VanDerWaalsContact OD1-CB 3.23Å; N249-F520 WeakPolarHBondContact OD1-CB 3.37Å |
| 250 | G | 42.1 | Very low | 49.2 | Very low | 87 Ų | 87 | 91.8 Ų | 91.8 | 90% | 0.897 | 47% | 0.47 | S | S | * | . | trans | -61.2 | 24.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | A248 | A248-G250 PolarHBondContact O-N 2.93Š| ||
| 251 | K | 38.4 | Very low | 47 | Very low | 175 Ų | 175 | 95.2 Ų | 95.2 | 76% | 0.761 | 51% | 0.506 | S | S | * | . | trans | -97.8 | 106 | 170.9 | -78.7 | -176.5 | 178.9 | 170.5 | 0 | 110.3 | N249 F253 | N249-K251 PolarHBondContact O-N 3.41Å; K251-F253 PolarHBondContact O-N 3.12Å | ||
| 252 | R | 34 | Very low | 44.9 | Very low | 230 Ų | 230 | 100.4 Ų | 100.4 | 87% | 0.868 | 53% | 0.534 | S | S | * | . | trans | -63.7 | 19.9 | -178.5 | -138.6 | 176.4 | -170.6 | 177.3 | 1.9 | 116 | ||||
| 253 | F | 30.8 | Very low | 43.3 | Very low | 186 Ų | 186 | 105.6 Ų | 105.6 | 82% | 0.816 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -114.8 | 90.2 | -171.8 | -109.8 | -98.3 | 0 | 0 | 0 | 108.8 | K251 | K251-F253 PolarHBondContact O-N 3.12Š|
| 254 | F | 33 | Very low | 41.9 | Very low | 149 Ų | 149 | 110.5 Ų | 110.5 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 159.8 | -25.3 | 141.9 | -106.5 | -103 | 0 | 0 | 0 | 114.4 | F258 | F254-F258 HydrophobicContact CD1-CE2 4.23Å; F254-F258 WeakPolarHBondContact O-CD2 3.46Å |
| 255 | F | 34.8 | Very low | 40.6 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -83.5 | -18.8 | -167.1 | -117.4 | -91 | 0 | 0 | 0 | 116.2 | L257 F258 | F255-L257 PolarHBondContact O-N 3.35Å; F255-F258 PolarHBondContact O-N 2.84Å |
| 256 | S | 32.5 | Very low | 39.5 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -76.8 | 0.6 | -178.9 | 101.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 257 | L | 31.9 | Very low | 39.1 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -100.3 | -4.2 | 175.6 | -108.8 | 108.9 | 0 | 0 | 0 | 113.6 | F255 | F255-L257 PolarHBondContact O-N 3.35Š|
| 258 | F | 38.4 | Very low | 38.6 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -112.1 | 0.4 | -164.6 | -86.5 | -86.1 | 0 | 0 | 0 | 115.7 | F254 F255 | F254-F258 HydrophobicContact CD1-CE2 4.23Å; F254-F258 WeakPolarHBondContact O-CD2 3.46Å; F255-F258 PolarHBondContact O-N 2.84Å |
| 259 | T | 34.3 | Very low | 38.4 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97.2 | -2.2 | -176.4 | 50.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 260 | D | 32.4 | Very low | 39 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -134.9 | 103.6 | 174.5 | -74.6 | -42.6 | 0 | 0 | 0 | 111 | ||
| 261 | G | 36.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 106.9 | 6.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 262 | L | 36.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 58% | 0.581 | 69% | 0.691 | S | S | * | * | trans | -112.4 | 50.9 | -178.7 | -80.5 | 164.6 | 0 | 0 | 0 | 114.1 | ||||
| 263 | H | 41.6 | Very low | 40.3 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 84% | 0.838 | 66% | 0.663 | S | S | * | * | trans | -87.9 | -2.4 | 170.5 | -134.3 | -41.7 | 0 | 0 | 0 | 113.5 | ||||
| 264 | E | 43.3 | Very low | 41 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -100.4 | 0.8 | -166.9 | -73.9 | -168.2 | 153.4 | 0 | 0 | 116.9 | ||
| 265 | R | 41.1 | Very low | 41.8 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -124.2 | 89.8 | 176.5 | -69.1 | -170.4 | -149.4 | -156 | 5.2 | 113.1 | E267 W269 | R265-E267 VanDerWaalsContact C-N 3.32Å; R265-E267 PolarHBondContact O-N 3.47Å; R265-W269 PolarHBondContact O-N 3.12Å | ||
| 266 | K | 43.4 | Very low | 42.1 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 79% | 0.787 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.4 | -34.7 | 179.3 | -77.4 | -175 | 173.2 | -176.4 | 0 | 114.4 | W269 I270 | K266-W269 WeakPolarHBondContact O-CB 3.36Å; K266-W269 PolarHBondContact O-N 3.2Å; K266-I270 WeakPolarHBondContact O-CG1 3.34Å; K266-I270 PolarHBondContact O-N 3.47Å |
| 267 | E | 50.2 | Low | 42.6 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.4 | -33.1 | -173.4 | -63.7 | -167.6 | 163.8 | 0 | 0 | 114.3 | R265 W269 | R265-E267 VanDerWaalsContact C-N 3.32Å; R265-E267 PolarHBondContact O-N 3.47Å; E267-W269 VanDerWaalsContact C-N 3.29Å |
| 268 | C | 44.2 | Very low | 43.1 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 52% | 0.52 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.9 | -28.2 | 175.1 | -148.7 | 0 | 0 | 0 | 0 | 111.2 | L272 | C268-L272 WeakPolarHBondContact O-CB 3.36Å; C268-L272 PolarHBondContact O-N 2.94Å; C268-L272 VanDerWaalsContact O-N 3.08Å |
| 269 | W | 44.3 | Very low | 43.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 177.2 | -137.2 | 89.7 | 0 | 0 | 0 | 112.5 | R265 K266 E267 M273 | R265-W269 PolarHBondContact O-N 3.12Å; K266-W269 WeakPolarHBondContact O-CB 3.36Å; K266-W269 PolarHBondContact O-N 3.2Å; E267-W269 VanDerWaalsContact C-N 3.29Å; W269-M273 HydrophobicContact CD2-CG 4.37Å; W269-M273 HydrophobicContact CE3-CE 4.21Å; W269-M273 HydrophobicContact CE3-CG 3.56Å; W269-M273 HydrophobicContact CH2-CE 3.23Å; W269-M273 HydrophobicContact CH2-CG 4.34Å; W269-M273 HydrophobicContact CZ2-CE 3.93Å; W269-M273 HydrophobicContact CZ3-CE 3.4Å; W269-M273 HydrophobicContact CZ3-CG 3.55Å; W269-M273 HydrophobicContact CZ3-SD 4.27Å; W269-M273 WeakPolarHBondContact O-CB 3.41Å; W269-M273 WeakPolarHBondContact O-CG 3.5Å; W269-M273 PolarHBondContact O-N 2.97Å |
| 270 | I | 53.8 | Low | 43.6 | Very low | 112 Ų | 112 | 125 Ų | 125 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -45 | 178.8 | -65.9 | 169.1 | 0 | 0 | 0 | 110.9 | K266 M273 E274 | K266-I270 WeakPolarHBondContact O-CG1 3.34Å; K266-I270 PolarHBondContact O-N 3.47Å; I270-M273 PolarHBondContact O-N 3.33Å; I270-E274 PolarHBondContact O-N 3.32Å |
| 271 | Y | 49 | Very low | 43.8 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.8 | -38.3 | -179.1 | -154.2 | -94.6 | 0 | 0 | 0 | 112.6 | E274 V275 | Y271-E274 PolarHBondContact O-N 3.47Å; Y271-V275 WeakPolarHBondContact O-CG2 3.27Å; Y271-V275 PolarHBondContact O-N 3.41Å; Y271-V275 VanDerWaalsContact O-N 3.16Å |
| 272 | L | 47.6 | Very low | 43.9 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -37.5 | 172.3 | -96.1 | 144.8 | 0 | 0 | 0 | 111.8 | C268 V275 Y276 | C268-L272 WeakPolarHBondContact O-CB 3.36Å; C268-L272 PolarHBondContact O-N 2.94Å; C268-L272 VanDerWaalsContact O-N 3.08Å; L272-V275 PolarHBondContact O-N 3.07Å; L272-Y276 WeakPolarHBondContact O-CB 3.2Å; L272-Y276 PolarHBondContact O-N 2.81Å |
| 273 | M | 46.4 | Very low | 44.2 | Very low | 57 Ų | 57 | 119.4 Ų | 119.4 | 28% | 0.281 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -33.9 | 173.7 | -85.6 | -64.5 | -173.1 | 0 | 0 | 112.8 | W269 I270 Y276 H277 | W269-M273 HydrophobicContact CD2-CG 4.37Å; W269-M273 HydrophobicContact CE3-CE 4.21Å; W269-M273 HydrophobicContact CE3-CG 3.56Å; W269-M273 HydrophobicContact CH2-CE 3.23Å; W269-M273 HydrophobicContact CH2-CG 4.34Å; W269-M273 HydrophobicContact CZ2-CE 3.93Å; W269-M273 HydrophobicContact CZ3-CE 3.4Å; W269-M273 HydrophobicContact CZ3-CG 3.55Å; W269-M273 HydrophobicContact CZ3-SD 4.27Å; W269-M273 WeakPolarHBondContact O-CB 3.41Å; W269-M273 WeakPolarHBondContact O-CG 3.5Å; W269-M273 PolarHBondContact O-N 2.97Å; I270-M273 PolarHBondContact O-N 3.33Å; M273-Y276 PolarHBondContact O-N 2.94Å; M273-Y276 HydrophobicContact SD-CD1 4.16Å; M273-H277 VanDerWaalsContact O-CB 3.23Å; M273-H277 WeakPolarHBondContact O-CB 3.44Å; M273-H277 PolarHBondContact O-CD2 3.1Å; M273-H277 PolarHBondContact O-N 3.11Å |
| 274 | E | 45.8 | Very low | 44.5 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.1 | -104.4 | -175.2 | 144 | 0 | 0 | 112.4 | I270 Y271 H277 R278 | I270-E274 PolarHBondContact O-N 3.32Å; Y271-E274 PolarHBondContact O-N 3.47Å; E274-H277 PolarHBondContact O-N 3.19Å; E274-R278 WeakPolarHBondContact O-CB 3.16Å; E274-R278 PolarHBondContact O-N 3.49Å |
| 275 | V | 48.4 | Very low | 45 | Very low | 81 Ų | 81 | 105 Ų | 105 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -36.7 | 174.3 | 176 | 0 | 0 | 0 | 0 | 111.1 | Y271 L272 S279 | Y271-V275 WeakPolarHBondContact O-CG2 3.27Å; Y271-V275 PolarHBondContact O-N 3.41Å; Y271-V275 VanDerWaalsContact O-N 3.16Å; L272-V275 PolarHBondContact O-N 3.07Å; V275-S279 WeakPolarHBondContact O-CB 3.47Å; V275-S279 PolarHBondContact O-N 3.45Å; V275-S279 PolarHBondContact O-OG 2.96Å |
| 276 | Y | 42.5 | Very low | 46.2 | Very low | 74 Ų | 74 | 96.6 Ų | 96.6 | 29% | 0.29 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 172.9 | -164.1 | -98.3 | 0 | 0 | 0 | 111.2 | L272 M273 S279 A280 | L272-Y276 WeakPolarHBondContact O-CB 3.2Å; L272-Y276 PolarHBondContact O-N 2.81Å; M273-Y276 PolarHBondContact O-N 2.94Å; M273-Y276 HydrophobicContact SD-CD1 4.16Å; Y276-S279 PolarHBondContact O-N 2.75Å; Y276-A280 WeakPolarHBondContact O-CB 3.49Å; Y276-A280 PolarHBondContact O-N 3.04Å |
| 277 | H | 43.6 | Very low | 48 | Very low | 122 Ų | 122 | 88 Ų | 88 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.4 | -38.4 | 177.9 | -99.6 | -84.6 | 0 | 0 | 0 | 113.1 | M273 E274 S279 | M273-H277 VanDerWaalsContact O-CB 3.23Å; M273-H277 WeakPolarHBondContact O-CB 3.44Å; M273-H277 PolarHBondContact O-CD2 3.1Å; M273-H277 PolarHBondContact O-N 3.11Å; E274-H277 PolarHBondContact O-N 3.19Å; H277-S279 VanDerWaalsContact C-N 3.28Å; H277-S279 PolarHBondContact O-N 3.49Å |
| 278 | R | 42.1 | Very low | 49.7 | Very low | 222 Ų | 222 | 79.8 Ų | 79.8 | 84% | 0.838 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.2 | -19.9 | 176.3 | -81 | -174.7 | 176.5 | -170.3 | 0.6 | 113.7 | E274 | E274-R278 WeakPolarHBondContact O-CB 3.16Å; E274-R278 PolarHBondContact O-N 3.49Å |
| 279 | S | 41.4 | Very low | 51.9 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 48% | 0.483 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -104.3 | -14.9 | -178.8 | -46.6 | 0 | 0 | 0 | 0 | 113.8 | V275 Y276 H277 A281 F283 | V275-S279 WeakPolarHBondContact O-CB 3.47Å; V275-S279 PolarHBondContact O-N 3.45Å; V275-S279 PolarHBondContact O-OG 2.96Å; Y276-S279 PolarHBondContact O-N 2.75Å; H277-S279 VanDerWaalsContact C-N 3.28Å; H277-S279 PolarHBondContact O-N 3.49Å; S279-A281 PolarHBondContact O-N 2.94Å; S279-F283 WeakPolarHBondContact O-CE2 3.43Å |
| 280 | A | 40.2 | Very low | 54.1 | Low | 50 Ų | 50 | 69.4 Ų | 69.4 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -73.8 | -3.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y276 L282 | Y276-A280 WeakPolarHBondContact O-CB 3.49Å; Y276-A280 PolarHBondContact O-N 3.04Å; A280-L282 PolarHBondContact O-N 2.71Å; A280-L282 VanDerWaalsContact O-N 3.13Å |
| 281 | A | 37.6 | Very low | 55.8 | Low | 85 Ų | 85 | 64.2 Ų | 64.2 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -75 | 4.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S279 | S279-A281 PolarHBondContact O-N 2.94Š|
| 282 | L | 38.2 | Very low | 57.6 | Low | 90 Ų | 90 | 56.3 Ų | 56.3 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -135.9 | 3.1 | -157.1 | -90.1 | 158.1 | 0 | 0 | 0 | 118.7 | A280 N522 | A280-L282 PolarHBondContact O-N 2.71Å; A280-L282 VanDerWaalsContact O-N 3.13Å; L282-N522 WeakPolarHBondContact CD2-ND2 3.46Å |
| 283 | F | 42.9 | Very low | 59.1 | Low | 47 Ų | 47 | 53.6 Ų | 53.6 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | trans | -142 | 94.5 | -163.7 | -54.4 | -95.4 | 0 | 0 | 0 | 113.8 | S245 N249 S279 F520 D521 | S245-F283 PolarHBondContact OG-O 2.91Å; S245-F283 VanDerWaalsContact OG-O 3.11Å; N249-F283 WeakPolarHBondContact ND2-CD1 3.39Å; S279-F283 WeakPolarHBondContact O-CE2 3.43Å; F283-F520 HydrophobicContact CD1-CB 4.32Å; F283-F520 WeakPolarHBondContact CD1-O 3.46Å; F283-F520 VanDerWaalsContact CE1-O 3.26Å; F283-F520 WeakPolarHBondContact CE1-O 3.21Å; F283-D521 HydrophobicContact CD1-CB 4.41Å; F283-D521 HydrophobicContact CE1-CB 3.6Å; F283-D521 HydrophobicContact CZ-CB 4.45Å | ||
| 284 | L | 49.4 | Very low | 60.4 | Low | 50 Ų | 50 | 51.7 Ų | 51.7 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -138.1 | 124.6 | -175.1 | -78.6 | 125.6 | 0 | 0 | 0 | 112.4 | S245 M309 Y315 F520 | S245-L284 WeakPolarHBondContact OG-CD2 3.47Å; S245-L284 WeakPolarHBondContact OG-CG 3.28Å; L284-M309 HydrophobicContact CD2-CE 4.18Å; L284-Y315 HydrophobicContact CB-CE1 3.77Å; L284-Y315 WeakPolarHBondContact CB-OH 3.27Å; L284-Y315 WeakPolarHBondContact CD1-OH 3.46Å; L284-Y315 HydrophobicContact CD2-CE1 3.44Å; L284-Y315 VanDerWaalsContact CD2-CE1 3.44Å; L284-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L284-Y315 HydrophobicContact CG-CE1 4.12Å; L284-Y315 WeakPolarHBondContact CG-OH 3.48Å; L284-F520 WeakPolarHBondContact O-CE1 3.19Å | ||
| 285 | K | 52.7 | Low | 61.8 | Low | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | trans | -74 | 142.5 | 161.3 | -88.8 | -162.3 | -173.1 | 179.6 | 0 | 110 | N184 A248 F520 | N184-K285 HydrophobicContact CB-CD 3.96Å; N184-K285 WeakPolarHBondContact OD1-CE 3.24Å; N184-K285 PolarHBondContact OD1-NZ 3Å; A248-K285 HydrophobicContact CB-CB 4Å; A248-K285 HydrophobicContact CB-CD 3.43Å; A248-K285 VanDerWaalsContact CB-CD 3.43Å; A248-K285 HydrophobicContact CB-CG 3.47Å; A248-K285 VanDerWaalsContact CB-CG 3.47Å; K285-F520 HydrophobicContact CB-CE1 4.25Å; K285-F520 HydrophobicContact CD-CZ 4.38Å; K285-F520 HydrophobicContact CG-CE1 3.5Å; K285-F520 HydrophobicContact CG-CZ 3.48Å; K285-F520 VanDerWaalsContact CG-CZ 3.48Å | ||
| 286 | S | 66.8 | Low | 63.4 | Low | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -86.1 | -19.4 | -170.2 | -43 | 0 | 0 | 0 | 0 | 114.2 | K314 Y315 V316 P513 | S286-K314 WeakPolarHBondContact CA-O 3.17Å; S286-K314 WeakPolarHBondContact CB-O 3.35Å; S286-Y315 CarbonylContact O-C 3.6Å; S286-Y315 WeakPolarHBondContact O-CA 3.43Å; S286-V316 PolarHBondContact O-N 3.13Å; S286-P513 WeakPolarHBondContact CB-O 3.41Å; S286-P513 PolarHBondContact OG-O 3.43Å |
| 287 | M | 81.4 | Confident | 65.4 | Low | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118 | -174 | -158.4 | -161.8 | 87.9 | 0 | 0 | 112.3 | L177 Y182 V185 A186 V316 I318 | L177-M287 HydrophobicContact CD1-CE 4.25Å; L177-M287 HydrophobicContact CD2-CE 3.35Å; L177-M287 HydrophobicContact CD2-SD 3.22Å; L177-M287 WeakPolarHBondContact CD2-SD 3.25Å; L177-M287 HydrophobicContact CG-CE 4.44Å; Y182-M287 HydrophobicContact CD2-CG 4.04Å; Y182-M287 HydrophobicContact CD2-SD 3.14Å; Y182-M287 WeakPolarHBondContact CD2-SD 3.38Å; Y182-M287 HydrophobicContact CE2-CB 4.5Å; Y182-M287 HydrophobicContact CE2-CG 3.95Å; Y182-M287 HydrophobicContact CE2-SD 3.63Å; Y182-M287 HydrophobicContact CG-SD 3.9Å; V185-M287 HydrophobicContact CB-CE 3.35Å; V185-M287 HydrophobicContact CG2-CE 3.12Å; A186-M287 PolarHBondContact N-O 3.06Å; A186-M287 VanDerWaalsContact N-O 3.17Å; M287-V316 HydrophobicContact CB-CG1 4.01Å; M287-V316 HydrophobicContact CG-CG1 3.48Å; M287-V316 VanDerWaalsContact CG-CG1 3.48Å; M287-I318 HydrophobicContact CG-CD1 4.41Å; M287-I318 HydrophobicContact SD-CD1 4.15Å |
| 288 | I | 86.3 | Confident | 67.1 | Low | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.6 | -178.7 | -58.9 | 171.3 | 0 | 0 | 0 | 109.4 | L188 A244 V290 M309 V316 F317 I318 | L188-I288 HydrophobicContact CB-CG2 4.01Å; L188-I288 HydrophobicContact CD2-CG2 4.32Å; A244-I288 HydrophobicContact CB-CD1 4.46Å; I288-V290 HydrophobicContact CG2-CG2 3.88Å; I288-M309 HydrophobicContact CD1-CE 4.05Å; I288-V316 PolarHBondContact N-O 3.48Å; I288-F317 HydrophobicContact CB-CD1 3.93Å; I288-F317 HydrophobicContact CB-CE1 4.17Å; I288-F317 HydrophobicContact CD1-CD1 4.24Å; I288-F317 HydrophobicContact CD1-CE1 3.58Å; I288-F317 HydrophobicContact CD1-CZ 4.09Å; I288-F317 HydrophobicContact CG1-CE1 4.41Å; I288-F317 HydrophobicContact CG2-CD1 4.18Å; I288-F317 HydrophobicContact CG2-CE1 4.39Å; I288-F317 CarbonylContact O-C 3.59Å; I288-F317 WeakPolarHBondContact O-CA 3.48Å; I288-I318 PolarHBondContact O-N 2.94Å |
| 289 | L | 89.6 | Confident | 69.1 | Low | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.1 | 172.6 | -167.5 | 71.3 | 0 | 0 | 0 | 108.8 | I173 V185 A186 F187 L188 M207 I210 I318 I320 | I173-L289 HydrophobicContact CD1-CD1 4.27Å; V185-L289 HydrophobicContact CG2-CB 3.86Å; A186-L289 PolarHBondContact O-N 2.89Å; F187-L289 HydrophobicContact CD1-CB 3.9Å; F187-L289 HydrophobicContact CD1-CD2 3.84Å; F187-L289 HydrophobicContact CD1-CG 4.49Å; F187-L289 HydrophobicContact CE1-CB 4.21Å; F187-L289 HydrophobicContact CE1-CD2 3.47Å; F187-L289 VanDerWaalsContact CE1-CD2 3.47Å; F187-L289 HydrophobicContact CE1-CG 4.5Å; F187-L289 HydrophobicContact CZ-CD2 4.09Å; L188-L289 PolarHBondContact N-O 2.88Å; M207-L289 HydrophobicContact CE-CB 4.26Å; M207-L289 HydrophobicContact CE-CD2 4.15Å; M207-L289 HydrophobicContact CE-CG 4.01Å; M207-L289 VanDerWaalsContact CE-O 3.29Å; M207-L289 WeakPolarHBondContact CE-O 3.4Å; M207-L289 HydrophobicContact SD-CD2 3.78Å; M207-L289 HydrophobicContact SD-CG 4.29Å; I210-L289 HydrophobicContact CD1-CD2 4.11Å; I210-L289 HydrophobicContact CG2-CD2 4.13Å; L289-I318 CarbonylContact C-O 3.58Å; L289-I318 WeakPolarHBondContact CA-O 3.3Å; L289-I318 HydrophobicContact CD1-CB 3.77Å; L289-I318 HydrophobicContact CD1-CG2 3.67Å; L289-I318 WeakPolarHBondContact CD1-O 3.44Å; L289-I320 HydrophobicContact CD1-CD1 3.84Å; L289-I320 HydrophobicContact CD1-CG1 4.08Å; L289-I320 HydrophobicContact CD2-CD1 3.9Å; L289-I320 HydrophobicContact CG-CD1 3.84Å; L289-I320 HydrophobicContact CG-CG1 4.49Å |
| 290 | V | 90.4 | Very high | 71.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.5 | -174.2 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | L188 I288 L297 F317 I318 S319 I320 | L188-V290 CarbonylContact O-C 3.54Å; L188-V290 WeakPolarHBondContact O-CA 3.44Å; I288-V290 HydrophobicContact CG2-CG2 3.88Å; V290-L297 HydrophobicContact CG1-CD1 4.05Å; V290-F317 HydrophobicContact CG2-CD1 4.17Å; V290-I318 PolarHBondContact N-O 3.28Å; V290-S319 CarbonylContact O-C 3.48Å; V290-S319 WeakPolarHBondContact O-CA 3.42Å; V290-I320 PolarHBondContact O-N 3.09Å |
| 291 | C | 90.3 | Very high | 73.4 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 110.6 | 164.9 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | L188 F189 H190 C203 Q206 M207 | L188-C291 PolarHBondContact O-N 3.38Å; F189-C291 CarbonylContact C-O 3.48Å; F189-C291 WeakPolarHBondContact CA-O 3.47Å; F189-C291 HydrophobicContact CB-CB 3.9Å; F189-C291 WeakPolarHBondContact CB-O 3.45Å; H190-C291 PolarHBondContact N-O 3.36Å; C203-C291 WeakPolarHBondContact CA-SG 3.47Å; C203-C291 HydrophobicContact CB-CB 3.73Å; C203-C291 WeakPolarHBondContact CB-SG 3.38Å; C203-C291 WeakPolarHBondContact SG-CB 3.27Å; C203-C291 PolarHBondContact SG-O 2.97Å; C203-C291 CovalentContact SG-SG 2.05Å; C203-C291 PolarHBondContact SG-SG 2.84Å; Q206-C291 PolarHBondContact OE1-SG 3.18Å; Q206-C291 VanDerWaalsContact OE1-SG 3.32Å; M207-C291 HydrophobicContact CE-CB 4.11Å |
| 292 | A | 85.8 | Confident | 75.6 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | trans | -156.3 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F229 T296 H321 | F229-A292 HydrophobicContact CZ-CB 3.92Å; A292-T296 HydrophobicContact CB-CG2 3.92Å; A292-H321 PolarHBondContact O-CE1 3.41Å | ||
| 293 | S | 78.4 | Confident | 78 | Confident | 35 Ų | 35 | 23.4 Ų | 23.4 | 25% | 0.245 | 13% | 0.126 | C | C | . | . | trans | -60.5 | 157.8 | 167.4 | 74.8 | 0 | 0 | 0 | 0 | 112 | E231 D295 T296 L297 | E231-S293 PolarHBondContact OE2-N 3.43Å; S293-D295 PolarHBondContact O-N 3.39Å; S293-T296 PolarHBondContact O-N 3.12Å; S293-T296 VanDerWaalsContact O-N 3.11Å; S293-T296 WeakPolarHBondContact OG-CB 3.36Å; S293-T296 PolarHBondContact OG-N 2.85Å; S293-T296 PolarHBondContact OG-OG1 3.32Å; S293-L297 PolarHBondContact O-N 3.44Å | ||
| 294 | V | 74 | Confident | 80.1 | Confident | 16 Ų | 16 | 21.2 Ų | 21.2 | 10% | 0.097 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.8 | -52.6 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | T296 L297 E298 M326 | V294-T296 PolarHBondContact O-N 3.47Å; V294-T296 VanDerWaalsContact O-N 3.08Å; V294-L297 WeakPolarHBondContact O-CA 3.43Å; V294-L297 WeakPolarHBondContact O-CB 3.47Å; V294-L297 PolarHBondContact O-N 3.15Å; V294-E298 WeakPolarHBondContact O-CG 3.49Å; V294-E298 PolarHBondContact O-N 3.47Å; V294-M326 HydrophobicContact CB-CE 4.06Å; V294-M326 HydrophobicContact CB-SD 3.89Å; V294-M326 HydrophobicContact CG1-CE 3.73Å; V294-M326 HydrophobicContact CG1-SD 3.43Å; V294-M326 WeakPolarHBondContact CG1-SD 3.39Å; V294-M326 HydrophobicContact CG2-CE 3.7Å; V294-M326 HydrophobicContact CG2-CG 3.97Å; V294-M326 HydrophobicContact CG2-SD 3.24Å; V294-M326 WeakPolarHBondContact CG2-SD 3.27Å |
| 295 | D | 75.5 | Confident | 81.7 | Confident | 97 Ų | 97 | 20.2 Ų | 20.2 | 52% | 0.519 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -54.1 | -33.8 | 177.6 | -51.8 | -30.2 | 0 | 0 | 0 | 113.2 | S293 K299 | S293-D295 PolarHBondContact O-N 3.39Å; D295-K299 WeakPolarHBondContact O-CD 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.38Å; D295-K299 PolarHBondContact O-N 3.04Å |
| 296 | T | 83 | Confident | 83.3 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -79.8 | -38.8 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | F229 E231 Y237 A292 S293 V294 E298 K299 L300 | F229-T296 HydrophobicContact CE2-CG2 3.77Å; F229-T296 HydrophobicContact CZ-CG2 4.1Å; E231-T296 HydrophobicContact CB-CG2 4.28Å; Y237-T296 HydrophobicContact CE1-CG2 3.71Å; A292-T296 HydrophobicContact CB-CG2 3.92Å; S293-T296 PolarHBondContact O-N 3.12Å; S293-T296 VanDerWaalsContact O-N 3.11Å; S293-T296 WeakPolarHBondContact OG-CB 3.36Å; S293-T296 PolarHBondContact OG-N 2.85Å; S293-T296 PolarHBondContact OG-OG1 3.32Å; V294-T296 PolarHBondContact O-N 3.47Å; V294-T296 VanDerWaalsContact O-N 3.08Å; T296-E298 VanDerWaalsContact C-N 3.33Å; T296-K299 PolarHBondContact O-N 3.49Å; T296-L300 VanDerWaalsContact O-CB 3.24Å; T296-L300 WeakPolarHBondContact O-CB 3.3Å; T296-L300 PolarHBondContact O-N 3.03Å |
| 297 | L | 84.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -45 | 173.1 | -179.4 | 67.2 | 0 | 0 | 0 | 110.6 | V290 S293 V294 K299 L300 M301 H321 M326 F330 L352 | V290-L297 HydrophobicContact CG1-CD1 4.05Å; S293-L297 PolarHBondContact O-N 3.44Å; V294-L297 WeakPolarHBondContact O-CA 3.43Å; V294-L297 WeakPolarHBondContact O-CB 3.47Å; V294-L297 PolarHBondContact O-N 3.15Å; L297-K299 PolarHBondContact O-N 3.23Å; L297-L300 WeakPolarHBondContact O-CB 3.21Å; L297-L300 PolarHBondContact O-N 3.43Å; L297-L300 VanDerWaalsContact O-N 3.14Å; L297-M301 HydrophobicContact CD1-CG 3.99Å; L297-M301 HydrophobicContact CD1-SD 4.24Å; L297-M301 HydrophobicContact CG-CG 4.17Å; L297-M301 VanDerWaalsContact O-CG 3.32Å; L297-M301 WeakPolarHBondContact O-CG 3.37Å; L297-M301 PolarHBondContact O-N 3.39Å; L297-H321 WeakPolarHBondContact CD2-NE2 3.45Å; L297-M326 HydrophobicContact CD2-CE 3.95Å; L297-F330 HydrophobicContact CD2-CZ 4.28Å; L297-L352 HydrophobicContact CD1-CD1 4.2Å; L297-L352 HydrophobicContact CD2-CD1 4.3Å; L297-L352 HydrophobicContact CD2-CD2 3.95Å |
| 298 | E | 77.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 32.1 Ų | 32.1 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.7 | -51.5 | 176.9 | -67.4 | 178.5 | 177.7 | 0 | 0 | 111.4 | V294 T296 L300 M301 S302 Q333 Y349 | V294-E298 WeakPolarHBondContact O-CG 3.49Å; V294-E298 PolarHBondContact O-N 3.47Å; T296-E298 VanDerWaalsContact C-N 3.33Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 3.36Å; E298-M301 PolarHBondContact O-N 3.09Å; E298-S302 WeakPolarHBondContact O-CB 3.47Å; E298-S302 PolarHBondContact O-N 3.02Å; E298-Q333 PolarHBondContact OE1-NE2 2.97Å; E298-Q333 PolarHBondContact OE1-OE1 3.28Å; E298-Q333 PolarHBondContact OE2-NE2 3.34Å; E298-Y349 WeakPolarHBondContact CG-OH 3.33Å |
| 299 | K | 84.5 | Confident | 84.1 | Confident | 110 Ų | 110 | 32.5 Ų | 32.5 | 48% | 0.478 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60 | -41 | 177.5 | -69.2 | 169.2 | -171.4 | 171.9 | 0 | 112 | Y237 D295 T296 L297 V303 | Y237-K299 HydrophobicContact CD2-CB 4.14Å; Y237-K299 HydrophobicContact CE2-CB 3.82Å; Y237-K299 HydrophobicContact CE2-CD 3.85Å; Y237-K299 HydrophobicContact CE2-CG 4.41Å; D295-K299 WeakPolarHBondContact O-CD 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.38Å; D295-K299 PolarHBondContact O-N 3.04Å; T296-K299 PolarHBondContact O-N 3.49Å; L297-K299 PolarHBondContact O-N 3.23Å; K299-V303 WeakPolarHBondContact O-CG2 3.3Å; K299-V303 PolarHBondContact O-N 3.42Å |
| 300 | L | 87.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -42.5 | -178.7 | -167.1 | 149.7 | 0 | 0 | 0 | 111.4 | L188 L241 T296 L297 E298 V303 A304 F317 | L188-L300 HydrophobicContact CD2-CD1 3.73Å; L188-L300 HydrophobicContact CD2-CD2 4.4Å; L188-L300 HydrophobicContact CG-CD1 4.36Å; L241-L300 HydrophobicContact CD2-CD2 3.74Å; L241-L300 HydrophobicContact CD2-CG 4.19Å; L241-L300 HydrophobicContact CG-CD2 4.48Å; L241-L300 HydrophobicContact CG-CG 4.44Å; T296-L300 VanDerWaalsContact O-CB 3.24Å; T296-L300 WeakPolarHBondContact O-CB 3.3Å; T296-L300 PolarHBondContact O-N 3.03Å; L297-L300 WeakPolarHBondContact O-CB 3.21Å; L297-L300 PolarHBondContact O-N 3.43Å; L297-L300 VanDerWaalsContact O-N 3.14Å; E298-L300 VanDerWaalsContact C-N 3.29Å; E298-L300 PolarHBondContact O-N 3.36Å; L300-V303 PolarHBondContact O-N 2.8Å; L300-A304 WeakPolarHBondContact O-CB 3.29Å; L300-A304 PolarHBondContact O-N 2.76Å; L300-F317 HydrophobicContact CD2-CD1 4.49Å; L300-F317 HydrophobicContact CD2-CE1 4.38Å |
| 301 | M | 85.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -38.4 | 176.1 | -64.9 | -48.6 | -58.6 | 0 | 0 | 112.1 | L297 E298 V303 A304 Q305 T310 F317 S348 Y349 L352 | L297-M301 HydrophobicContact CD1-CG 3.99Å; L297-M301 HydrophobicContact CD1-SD 4.24Å; L297-M301 HydrophobicContact CG-CG 4.17Å; L297-M301 VanDerWaalsContact O-CG 3.32Å; L297-M301 WeakPolarHBondContact O-CG 3.37Å; L297-M301 PolarHBondContact O-N 3.39Å; E298-M301 PolarHBondContact O-N 3.09Å; M301-V303 VanDerWaalsContact C-N 3.35Å; M301-V303 PolarHBondContact O-N 2.68Å; M301-A304 WeakPolarHBondContact O-CB 3.15Å; M301-A304 PolarHBondContact O-N 2.8Å; M301-Q305 PolarHBondContact O-N 3.46Å; M301-T310 HydrophobicContact CE-CG2 3.82Å; M301-F317 HydrophobicContact CE-CB 4.33Å; M301-F317 HydrophobicContact CE-CD2 3.74Å; M301-F317 HydrophobicContact CE-CE2 4.22Å; M301-F317 HydrophobicContact CE-CG 4.07Å; M301-F317 HydrophobicContact SD-CB 4.1Å; M301-F317 HydrophobicContact SD-CD1 4.26Å; M301-F317 HydrophobicContact SD-CD2 4.19Å; M301-F317 HydrophobicContact SD-CG 3.93Å; M301-S348 WeakPolarHBondContact CE-O 3.36Å; M301-Y349 HydrophobicContact CB-CD1 4.15Å; M301-Y349 HydrophobicContact CB-CE1 3.88Å; M301-Y349 HydrophobicContact CG-CD1 4.06Å; M301-Y349 HydrophobicContact CG-CE1 3.96Å; M301-L352 HydrophobicContact CE-CB 4.22Å; M301-L352 HydrophobicContact SD-CD1 4.35Å |
| 302 | S | 84.5 | Confident | 82.6 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 39% | 0.392 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 172 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | E298 Q305 R306 | E298-S302 WeakPolarHBondContact O-CB 3.47Å; E298-S302 PolarHBondContact O-N 3.02Å; S302-Q305 PolarHBondContact O-N 3.04Å; S302-R306 PolarHBondContact O-N 2.93Å |
| 303 | V | 87.7 | Confident | 82.2 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | E238 L241 K299 L300 M301 Q305 R306 L307 | E238-V303 HydrophobicContact CB-CG1 3.95Å; E238-V303 HydrophobicContact CG-CG1 4.29Å; L241-V303 HydrophobicContact CD1-CB 4.04Å; L241-V303 HydrophobicContact CD1-CG1 3.89Å; K299-V303 WeakPolarHBondContact O-CG2 3.3Å; K299-V303 PolarHBondContact O-N 3.42Å; L300-V303 PolarHBondContact O-N 2.8Å; M301-V303 VanDerWaalsContact C-N 3.35Å; M301-V303 PolarHBondContact O-N 2.68Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3.24Å; V303-R306 VanDerWaalsContact CG2-NH2 3.25Å; V303-R306 PolarHBondContact O-N 2.98Å; V303-L307 HydrophobicContact CG1-CD1 4.21Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 3.11Å |
| 304 | A | 87 | Confident | 82.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L241 L300 M301 L307 G308 M309 T310 F317 | L241-A304 HydrophobicContact CD1-CB 3.9Å; L300-A304 WeakPolarHBondContact O-CB 3.29Å; L300-A304 PolarHBondContact O-N 2.76Å; M301-A304 WeakPolarHBondContact O-CB 3.15Å; M301-A304 PolarHBondContact O-N 2.8Å; A304-L307 CarbonylContact O-C 3.58Å; A304-L307 PolarHBondContact O-N 2.93Å; A304-G308 PolarHBondContact O-N 2.66Å; A304-M309 HydrophobicContact CB-CB 4.23Å; A304-M309 WeakPolarHBondContact O-CB 3.46Å; A304-M309 PolarHBondContact O-N 3.2Å; A304-T310 HydrophobicContact CB-CG2 4Å; A304-F317 HydrophobicContact CB-CE2 4.23Å; A304-F317 HydrophobicContact CB-CZ 3.89Å |
| 305 | Q | 83.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 173.7 | -174.5 | -173.3 | 8.1 | 0 | 0 | 111.8 | M301 S302 V303 L307 G308 T310 E344 S348 | M301-Q305 PolarHBondContact O-N 3.46Å; S302-Q305 PolarHBondContact O-N 3.04Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 PolarHBondContact O-N 3.24Å; Q305-L307 PolarHBondContact O-N 3.29Å; Q305-G308 WeakPolarHBondContact O-CA 3.43Å; Q305-G308 PolarHBondContact O-N 3.26Å; Q305-T310 WeakPolarHBondContact CA-OG1 3.08Å; Q305-T310 HydrophobicContact CB-CG2 4.18Å; Q305-E344 PolarHBondContact NE2-O 2.95Å; Q305-E344 PolarHBondContact OE1-O 3.19Å; Q305-S348 VanDerWaalsContact OE1-CB 3.27Å |
| 306 | R | 85.5 | Confident | 83.2 | Confident | 175 Ų | 175 | 39 Ų | 39 | 66% | 0.66 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -60.6 | -28.5 | 175.3 | -70.3 | -172.3 | -62.2 | 143 | 3 | 113.2 | S302 V303 G308 | S302-R306 PolarHBondContact O-N 2.93Å; V303-R306 VanDerWaalsContact CG2-NH2 3.25Å; V303-R306 PolarHBondContact O-N 2.98Å; R306-G308 VanDerWaalsContact C-N 3.28Å |
| 307 | L | 84.6 | Confident | 83.5 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.1 | 173.5 | -69.5 | 175.2 | 0 | 0 | 0 | 113.5 | E238 L241 V303 A304 Q305 M309 | E238-L307 HydrophobicContact CG-CD1 3.97Å; E238-L307 HydrophobicContact CG-CD2 3.88Å; E238-L307 HydrophobicContact CG-CG 4.26Å; L241-L307 HydrophobicContact CB-CD1 4.08Å; L241-L307 HydrophobicContact CD1-CD1 4.04Å; V303-L307 HydrophobicContact CG1-CD1 4.21Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 3.11Å; A304-L307 CarbonylContact O-C 3.58Å; A304-L307 PolarHBondContact O-N 2.93Å; Q305-L307 PolarHBondContact O-N 3.29Å; L307-M309 HydrophobicContact CB-CG 3.95Å; L307-M309 HydrophobicContact CB-SD 4.2Å; L307-M309 HydrophobicContact CD1-SD 4.14Å; L307-M309 PolarHBondContact O-N 2.67Å |
| 308 | G | 83.2 | Confident | 83.8 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 18.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | A304 Q305 R306 S312 | A304-G308 PolarHBondContact O-N 2.66Å; Q305-G308 WeakPolarHBondContact O-CA 3.43Å; Q305-G308 PolarHBondContact O-N 3.26Å; R306-G308 VanDerWaalsContact C-N 3.28Å; G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-OG 3.38Å |
| 309 | M | 84.2 | Confident | 84.3 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -35.3 | -178.2 | -61.2 | 178.5 | 74.5 | 0 | 0 | 111.7 | L241 L284 I288 A304 L307 S312 Y315 F317 | L241-M309 HydrophobicContact CB-SD 4.27Å; L241-M309 HydrophobicContact CD1-SD 4.49Å; L241-M309 HydrophobicContact CD2-SD 4.45Å; L284-M309 HydrophobicContact CD2-CE 4.18Å; I288-M309 HydrophobicContact CD1-CE 4.05Å; A304-M309 HydrophobicContact CB-CB 4.23Å; A304-M309 WeakPolarHBondContact O-CB 3.46Å; A304-M309 PolarHBondContact O-N 3.2Å; L307-M309 HydrophobicContact CB-CG 3.95Å; L307-M309 HydrophobicContact CB-SD 4.2Å; L307-M309 HydrophobicContact CD1-SD 4.14Å; L307-M309 PolarHBondContact O-N 2.67Å; M309-S312 PolarHBondContact O-OG 3.39Å; M309-Y315 HydrophobicContact CB-CD2 3.76Å; M309-Y315 HydrophobicContact CB-CE2 4.17Å; M309-Y315 HydrophobicContact CB-CG 4.08Å; M309-Y315 HydrophobicContact CE-CD1 3.6Å; M309-Y315 HydrophobicContact CE-CE1 3.68Å; M309-Y315 HydrophobicContact CE-CG 4.09Å; M309-Y315 HydrophobicContact CG-CD2 4.24Å; M309-Y315 HydrophobicContact CG-CE2 4.18Å; M309-Y315 WeakPolarHBondContact O-CD2 3.49Å; M309-F317 HydrophobicContact CB-CE2 4.31Å; M309-F317 HydrophobicContact CB-CZ 4.25Å; M309-F317 HydrophobicContact CE-CZ 3.89Å; M309-F317 HydrophobicContact SD-CZ 4.4Å |
| 310 | T | 81.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -43.6 | -176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | M301 A304 Q305 S348 S351 | M301-T310 HydrophobicContact CE-CG2 3.82Å; A304-T310 HydrophobicContact CB-CG2 4Å; Q305-T310 WeakPolarHBondContact CA-OG1 3.08Å; Q305-T310 HydrophobicContact CB-CG2 4.18Å; T310-S348 VanDerWaalsContact CG2-O 3.23Å; T310-S348 WeakPolarHBondContact CG2-O 3.46Å; T310-S351 WeakPolarHBondContact CA-OG 3.35Å |
| 311 | D | 77.9 | Confident | 84.2 | Confident | 75 Ų | 75 | 32.5 Ų | 32.5 | 40% | 0.401 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -14.9 | -168.5 | -54.9 | -5.6 | 0 | 0 | 0 | 112.3 | G313 | D311-G313 PolarHBondContact O-N 3.27Š|
| 312 | S | 78.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 33% | 0.329 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -17.1 | -176.7 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | G308 M309 K314 Y315 | G308-S312 WeakPolarHBondContact O-CB 3.34Å; G308-S312 PolarHBondContact O-OG 3.38Å; M309-S312 PolarHBondContact O-OG 3.39Å; S312-K314 PolarHBondContact O-N 3.3Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.19Å; S312-Y315 WeakPolarHBondContact OG-CD2 3.32Å |
| 313 | G | 78 | Confident | 83 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 63.3 | 11.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D311 P512 | D311-G313 PolarHBondContact O-N 3.27Å; G313-P512 WeakPolarHBondContact O-CB 3.27Å |
| 314 | K | 78.2 | Confident | 81.7 | Confident | 136 Ų | 136 | 33 Ų | 33 | 59% | 0.591 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -95.6 | -9.5 | 178.4 | -63 | 177.8 | -176.9 | 176.2 | 0 | 113.1 | S286 S312 | S286-K314 WeakPolarHBondContact CA-O 3.17Å; S286-K314 WeakPolarHBondContact CB-O 3.35Å; S312-K314 PolarHBondContact O-N 3.3Å; S312-K314 VanDerWaalsContact O-N 3.14Å; S312-K314 PolarHBondContact OG-N 3.19Å |
| 315 | Y | 82.9 | Confident | 80 | Confident | 24 Ų | 24 | 35 Ų | 35 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | trans | -126.7 | 148.5 | -176.6 | -56.7 | -89.2 | 0 | 0 | 0 | 111.7 | L284 S286 M309 S312 S351 | L284-Y315 HydrophobicContact CB-CE1 3.77Å; L284-Y315 WeakPolarHBondContact CB-OH 3.27Å; L284-Y315 WeakPolarHBondContact CD1-OH 3.46Å; L284-Y315 HydrophobicContact CD2-CE1 3.44Å; L284-Y315 VanDerWaalsContact CD2-CE1 3.44Å; L284-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L284-Y315 HydrophobicContact CG-CE1 4.12Å; L284-Y315 WeakPolarHBondContact CG-OH 3.48Å; S286-Y315 CarbonylContact O-C 3.6Å; S286-Y315 WeakPolarHBondContact O-CA 3.43Å; M309-Y315 HydrophobicContact CB-CD2 3.76Å; M309-Y315 HydrophobicContact CB-CE2 4.17Å; M309-Y315 HydrophobicContact CB-CG 4.08Å; M309-Y315 HydrophobicContact CE-CD1 3.6Å; M309-Y315 HydrophobicContact CE-CE1 3.68Å; M309-Y315 HydrophobicContact CE-CG 4.09Å; M309-Y315 HydrophobicContact CG-CD2 4.24Å; M309-Y315 HydrophobicContact CG-CE2 4.18Å; M309-Y315 WeakPolarHBondContact O-CD2 3.49Å; S312-Y315 WeakPolarHBondContact OG-CD2 3.32Å; Y315-S351 WeakPolarHBondContact O-CB 3.45Å | ||
| 316 | V | 88.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.2 | 163.8 | 64.4 | 0 | 0 | 0 | 0 | 108.7 | Y182 S286 M287 I288 I318 S351 K353 W506 P512 | Y182-V316 HydrophobicContact CE2-CG1 4.16Å; S286-V316 PolarHBondContact O-N 3.13Å; M287-V316 HydrophobicContact CB-CG1 4.01Å; M287-V316 HydrophobicContact CG-CG1 3.48Å; M287-V316 VanDerWaalsContact CG-CG1 3.48Å; I288-V316 PolarHBondContact N-O 3.48Å; V316-I318 HydrophobicContact CG2-CG1 4.31Å; V316-S351 WeakPolarHBondContact CA-O 3.36Å; V316-K353 HydrophobicContact CG2-CG 4.01Å; V316-W506 HydrophobicContact CB-CZ3 4.19Å; V316-W506 HydrophobicContact CG2-CH2 4.46Å; V316-W506 HydrophobicContact CG2-CZ3 3.81Å; V316-P512 HydrophobicContact CB-CG 4.2Å; V316-P512 HydrophobicContact CG1-CG 4.22Å |
| 317 | F | 89 | Confident | 76.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.5 | 174.3 | -64.3 | -93.1 | 0 | 0 | 0 | 108.1 | L241 I288 V290 L300 M301 A304 M309 S351 L352 K353 | L241-F317 HydrophobicContact CD2-CE1 3.81Å; L241-F317 HydrophobicContact CD2-CZ 4.26Å; I288-F317 HydrophobicContact CB-CD1 3.93Å; I288-F317 HydrophobicContact CB-CE1 4.17Å; I288-F317 HydrophobicContact CD1-CD1 4.24Å; I288-F317 HydrophobicContact CD1-CE1 3.58Å; I288-F317 HydrophobicContact CD1-CZ 4.09Å; I288-F317 HydrophobicContact CG1-CE1 4.41Å; I288-F317 HydrophobicContact CG2-CD1 4.18Å; I288-F317 HydrophobicContact CG2-CE1 4.39Å; I288-F317 CarbonylContact O-C 3.59Å; I288-F317 WeakPolarHBondContact O-CA 3.48Å; V290-F317 HydrophobicContact CG2-CD1 4.17Å; L300-F317 HydrophobicContact CD2-CD1 4.49Å; L300-F317 HydrophobicContact CD2-CE1 4.38Å; M301-F317 HydrophobicContact CE-CB 4.33Å; M301-F317 HydrophobicContact CE-CD2 3.74Å; M301-F317 HydrophobicContact CE-CE2 4.22Å; M301-F317 HydrophobicContact CE-CG 4.07Å; M301-F317 HydrophobicContact SD-CB 4.1Å; M301-F317 HydrophobicContact SD-CD1 4.26Å; M301-F317 HydrophobicContact SD-CD2 4.19Å; M301-F317 HydrophobicContact SD-CG 3.93Å; A304-F317 HydrophobicContact CB-CE2 4.23Å; A304-F317 HydrophobicContact CB-CZ 3.89Å; M309-F317 HydrophobicContact CB-CE2 4.31Å; M309-F317 HydrophobicContact CB-CZ 4.25Å; M309-F317 HydrophobicContact CE-CZ 3.89Å; M309-F317 HydrophobicContact SD-CZ 4.4Å; F317-S351 WeakPolarHBondContact CD2-OG 3.46Å; F317-S351 PolarHBondContact N-O 3.35Å; F317-L352 HydrophobicContact CB-CD1 4.08Å; F317-L352 CarbonylContact O-C 3.58Å; F317-L352 WeakPolarHBondContact O-CA 3.29Å; F317-K353 PolarHBondContact O-N 3.41Å |
| 318 | I | 89.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 106.7 | 175.8 | -55.6 | -175.6 | 0 | 0 | 0 | 107 | M176 M287 I288 L289 V290 V316 K353 V355 | M176-I318 HydrophobicContact CE-CD1 3.48Å; M176-I318 VanDerWaalsContact CE-CD1 3.48Å; M176-I318 HydrophobicContact CE-CG2 3.99Å; M176-I318 HydrophobicContact SD-CD1 4.47Å; M287-I318 HydrophobicContact CG-CD1 4.41Å; M287-I318 HydrophobicContact SD-CD1 4.15Å; I288-I318 PolarHBondContact O-N 2.94Å; L289-I318 CarbonylContact C-O 3.58Å; L289-I318 WeakPolarHBondContact CA-O 3.3Å; L289-I318 HydrophobicContact CD1-CB 3.77Å; L289-I318 HydrophobicContact CD1-CG2 3.67Å; L289-I318 WeakPolarHBondContact CD1-O 3.44Å; V290-I318 PolarHBondContact N-O 3.28Å; V316-I318 HydrophobicContact CG2-CG1 4.31Å; I318-K353 CarbonylContact C-O 3.46Å; I318-K353 WeakPolarHBondContact CA-O 3.47Å; I318-K353 HydrophobicContact CG1-CB 4.37Å; I318-V355 HydrophobicContact CG2-CG2 3.79Å |
| 319 | S | 88.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.5 | 178.5 | -160.1 | 0 | 0 | 0 | 0 | 111.7 | V290 H321 K353 I354 V355 | V290-S319 CarbonylContact O-C 3.48Å; V290-S319 WeakPolarHBondContact O-CA 3.42Å; S319-H321 PolarHBondContact OG-CD2 2.74Å; S319-H321 PolarHBondContact OG-NE2 2.8Å; S319-K353 PolarHBondContact N-O 2.96Å; S319-I354 CarbonylContact O-C 3.6Å; S319-I354 WeakPolarHBondContact O-CA 3.33Å; S319-V355 PolarHBondContact O-N 3.36Å |
| 320 | I | 89.1 | Confident | 70.8 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115 | 178.8 | -60.5 | 163.3 | 0 | 0 | 0 | 109.1 | L169 I210 L289 V290 I322 | L169-I320 HydrophobicContact CD1-CG2 4.1Å; L169-I320 HydrophobicContact CD2-CG2 4.16Å; I210-I320 HydrophobicContact CD1-CD1 3.3Å; L289-I320 HydrophobicContact CD1-CD1 3.84Å; L289-I320 HydrophobicContact CD1-CG1 4.08Å; L289-I320 HydrophobicContact CD2-CD1 3.9Å; L289-I320 HydrophobicContact CG-CD1 3.84Å; L289-I320 HydrophobicContact CG-CG1 4.49Å; V290-I320 PolarHBondContact O-N 3.09Å; I320-I322 HydrophobicContact CG2-CD1 3.76Å; I320-I322 HydrophobicContact CG2-CG1 3.66Å |
| 321 | H | 80.3 | Confident | 69 | Low | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | trans | -129 | 81.5 | -179.1 | -74.4 | -82.6 | 0 | 0 | 0 | 110.7 | A292 L297 S319 S324 M326 I354 V355 T356 | A292-H321 PolarHBondContact O-CE1 3.41Å; L297-H321 WeakPolarHBondContact CD2-NE2 3.45Å; S319-H321 PolarHBondContact OG-CD2 2.74Å; S319-H321 PolarHBondContact OG-NE2 2.8Å; H321-S324 PolarHBondContact ND1-OG 3.49Å; H321-M326 HydrophobicContact CB-CB 4.43Å; H321-M326 HydrophobicContact CB-CG 3.84Å; H321-M326 WeakPolarHBondContact CE1-CE 3.27Å; H321-M326 WeakPolarHBondContact NE2-CE 3.31Å; H321-I354 HydrophobicContact CB-CG2 4.15Å; H321-V355 CarbonylContact C-O 3.59Å; H321-V355 PolarHBondContact N-O 2.92Å; H321-T356 WeakPolarHBondContact O-CA 3.44Å; H321-T356 VanDerWaalsContact O-CB 3.28Å; H321-T356 WeakPolarHBondContact O-CB 3.35Å; H321-T356 PolarHBondContact O-OG1 3.24Å | ||
| 322 | I | 79.3 | Confident | 67.3 | Low | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -88.7 | -34.2 | 179.9 | -52.7 | 175.1 | 0 | 0 | 0 | 110.2 | Y166 L169 Q206 I320 L357 F395 Y454 | Y166-I322 HydrophobicContact CD1-CD1 4.25Å; Y166-I322 HydrophobicContact CE1-CD1 4.03Å; L169-I322 HydrophobicContact CB-CD1 4.4Å; L169-I322 HydrophobicContact CD1-CD1 3.67Å; L169-I322 HydrophobicContact CD1-CG1 4.36Å; L169-I322 HydrophobicContact CD2-CD1 3.39Å; L169-I322 HydrophobicContact CG-CD1 3.98Å; Q206-I322 HydrophobicContact CG-CD1 4.19Å; I320-I322 HydrophobicContact CG2-CD1 3.76Å; I320-I322 HydrophobicContact CG2-CG1 3.66Å; I322-L357 HydrophobicContact CG2-CD1 3.54Å; I322-L357 HydrophobicContact CG2-CD2 4.5Å; I322-L357 HydrophobicContact CG2-CG 3.81Å; I322-F395 HydrophobicContact CG2-CZ 4.14Å; I322-F395 VanDerWaalsContact O-CE2 3.27Å; I322-F395 WeakPolarHBondContact O-CE2 3.4Å; I322-Y454 HydrophobicContact CD1-CE1 4.29Å; I322-Y454 HydrophobicContact CG1-CE1 4.46Å |
| 323 | H | 66.9 | Low | 65.8 | Low | 42 Ų | 42 | 30.4 Ų | 30.4 | 19% | 0.194 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -85.2 | -21.7 | -170.7 | -56.2 | 95.2 | 0 | 0 | 0 | 115 | F56 Y166 E202 Q206 | F56-H323 AromaticContact CD1-CD2 3.38Å; F56-H323 WeakPolarHBondContact CD1-CD2 3.41Å; F56-H323 AromaticContact CE1-CD2 3.03Å; F56-H323 WeakPolarHBondContact CE1-CD2 3.39Å; F56-H323 AromaticContact CE1-NE2 3.33Å; F56-H323 VanDerWaalsContact CE1-NE2 3.33Å; F56-H323 WeakPolarHBondContact CE1-NE2 3.41Å; F56-H323 AromaticContact CZ-CD2 3.49Å; F56-H323 VanDerWaalsContact CZ-CD2 3.49Å; F56-H323 WeakPolarHBondContact CZ-CD2 2.91Å; F56-H323 AromaticContact CZ-NE2 3.34Å; F56-H323 VanDerWaalsContact CZ-NE2 3.34Å; F56-H323 WeakPolarHBondContact CZ-NE2 3.38Å; Y166-H323 PolarHBondContact OH-NE2 3.4Å; Y166-H323 VanDerWaalsContact OH-NE2 3.11Å; E202-H323 WeakPolarHBondContact CB-CE1 3.31Å; E202-H323 WeakPolarHBondContact CB-NE2 3.33Å; E202-H323 IonicContact OE2-NE2 3.52Å; Q206-H323 PolarHBondContact NE2-CE1 2.86Å; Q206-H323 PolarHBondContact NE2-ND1 3.05Å |
| 324 | S | 58.6 | Low | 64.6 | Low | 29 Ų | 29 | 31 Ų | 31 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -113.9 | 127 | -176.3 | 50.4 | 0 | 0 | 0 | 0 | 109 | H321 M326 | H321-S324 PolarHBondContact ND1-OG 3.49Å; S324-M326 PolarHBondContact O-N 2.95Å; S324-M326 VanDerWaalsContact OG-CG 3.26Å; S324-M326 WeakPolarHBondContact OG-CG 3.31Å |
| 325 | D | 51.8 | Low | 63.1 | Low | 42 Ų | 42 | 27.9 Ų | 27.9 | 23% | 0.225 | 14% | 0.136 | C | C | . | . | trans | -70.5 | 75.3 | 165.3 | -100.1 | -55.7 | 0 | 0 | 0 | 108.5 | Q327 R359 T393 | D325-Q327 PolarHBondContact O-N 3.45Å; D325-R359 IonicContact OD1-NE 3.67Å; D325-R359 IonicContact OD1-NH2 3.74Å; D325-T393 WeakPolarHBondContact OD2-CA 3.34Å | ||
| 326 | M | 46.6 | Very low | 61.6 | Low | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.1 | -172.4 | -95.3 | -83.9 | -115.2 | 0 | 0 | 114.3 | V294 L297 H321 S324 D328 D329 F330 | V294-M326 HydrophobicContact CB-CE 4.06Å; V294-M326 HydrophobicContact CB-SD 3.89Å; V294-M326 HydrophobicContact CG1-CE 3.73Å; V294-M326 HydrophobicContact CG1-SD 3.43Å; V294-M326 WeakPolarHBondContact CG1-SD 3.39Å; V294-M326 HydrophobicContact CG2-CE 3.7Å; V294-M326 HydrophobicContact CG2-CG 3.97Å; V294-M326 HydrophobicContact CG2-SD 3.24Å; V294-M326 WeakPolarHBondContact CG2-SD 3.27Å; L297-M326 HydrophobicContact CD2-CE 3.95Å; H321-M326 HydrophobicContact CB-CB 4.43Å; H321-M326 HydrophobicContact CB-CG 3.84Å; H321-M326 WeakPolarHBondContact CE1-CE 3.27Å; H321-M326 WeakPolarHBondContact NE2-CE 3.31Å; S324-M326 PolarHBondContact O-N 2.95Å; S324-M326 VanDerWaalsContact OG-CG 3.26Å; S324-M326 WeakPolarHBondContact OG-CG 3.31Å; M326-D328 PolarHBondContact O-N 3.21Å; M326-D329 PolarHBondContact O-N 3.47Å; M326-F330 HydrophobicContact CE-CD2 4.27Å; M326-F330 HydrophobicContact CE-CE2 3.25Å; M326-F330 HydrophobicContact CE-CZ 3.65Å; M326-F330 HydrophobicContact SD-CD2 3.9Å; M326-F330 HydrophobicContact SD-CE2 3.46Å; M326-F330 WeakPolarHBondContact SD-CE2 3.4Å; M326-F330 HydrophobicContact SD-CZ 4.22Å |
| 327 | Q | 43.3 | Very low | 60.3 | Low | 51 Ų | 51 | 36.2 Ų | 36.2 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23.6 | -179 | -104.5 | 170.7 | -26.4 | 0 | 0 | 113.1 | D325 L457 | D325-Q327 PolarHBondContact O-N 3.45Å; Q327-L457 HydrophobicContact CG-CD1 3.74Å |
| 328 | D | 43.7 | Very low | 59.1 | Low | 55 Ų | 55 | 38.8 Ų | 38.8 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -12.5 | 176.6 | -61.3 | 10.4 | 0 | 0 | 0 | 112.4 | M326 S331 R359 | M326-D328 PolarHBondContact O-N 3.21Å; D328-S331 PolarHBondContact O-OG 2.9Å; D328-S331 VanDerWaalsContact O-OG 3.05Å; D328-R359 IonicContact OD1-CZ 3.85Å; D328-R359 IonicContact OD1-NH1 3.73Å; D328-R359 IonicContact OD1-NH2 3.77Å; D328-R359 PolarHBondContact OD1-NH2 3.01Å |
| 329 | D | 47.2 | Very low | 57.8 | Low | 39 Ų | 39 | 46.1 Ų | 46.1 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -21.5 | -173.7 | -91.5 | -5.1 | 0 | 0 | 0 | 113.8 | M326 W332 R391 | M326-D329 PolarHBondContact O-N 3.47Å; D329-W332 PolarHBondContact O-NE1 3.33Å; D329-W332 PolarHBondContact OD1-NE1 2.96Å; D329-R391 IonicContact OD1-CZ 3.48Å; D329-R391 IonicContact OD1-NH1 2.87Å; D329-R391 PolarHBondContact OD1-NH1 2.67Å; D329-R391 IonicContact OD1-NH2 3.84Å; D329-R391 IonicContact OD2-NH1 3.79Å |
| 330 | F | 48.3 | Very low | 56.7 | Low | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -21.6 | 168.7 | -79.7 | -72.6 | 0 | 0 | 0 | 113.2 | L297 M326 L334 Y349 L352 I354 F485 | L297-F330 HydrophobicContact CD2-CZ 4.28Å; M326-F330 HydrophobicContact CE-CD2 4.27Å; M326-F330 HydrophobicContact CE-CE2 3.25Å; M326-F330 HydrophobicContact CE-CZ 3.65Å; M326-F330 HydrophobicContact SD-CD2 3.9Å; M326-F330 HydrophobicContact SD-CE2 3.46Å; M326-F330 WeakPolarHBondContact SD-CE2 3.4Å; M326-F330 HydrophobicContact SD-CZ 4.22Å; F330-L334 WeakPolarHBondContact O-CD1 3.48Å; F330-Y349 HydrophobicContact CD1-CE2 4.14Å; F330-Y349 HydrophobicContact CE1-CD1 4.37Å; F330-Y349 AromaticContact CE1-CE1 3.74Å; F330-Y349 HydrophobicContact CE1-CE1 3.74Å; F330-Y349 AromaticContact CE1-CE2 3.94Å; F330-Y349 HydrophobicContact CE1-CE2 3.94Å; F330-Y349 AromaticContact CE1-CZ 3.51Å; F330-Y349 HydrophobicContact CZ-CE1 4.29Å; F330-L352 HydrophobicContact CZ-CD2 4.47Å; F330-I354 HydrophobicContact CD2-CD1 4.25Å; F330-I354 HydrophobicContact CE2-CD1 3.6Å; F330-I354 HydrophobicContact CZ-CD1 4.37Å; F330-F485 HydrophobicContact CB-CE2 4.44Å; F330-F485 HydrophobicContact CD2-CE2 4.2Å; F330-F485 HydrophobicContact CG-CE2 4.19Å |
| 331 | S | 44.2 | Very low | 55.7 | Low | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -81.8 | -30.2 | -172.1 | 66.5 | 0 | 0 | 0 | 0 | 114 | D328 Q333 N335 D482 | D328-S331 PolarHBondContact O-OG 2.9Å; D328-S331 VanDerWaalsContact O-OG 3.05Å; S331-Q333 PolarHBondContact O-N 3.16Å; S331-N335 VanDerWaalsContact O-CG 3.3Å; S331-N335 PolarHBondContact O-ND2 3.46Å; S331-N335 VanDerWaalsContact O-ND2 3.08Å; S331-D482 WeakPolarHBondContact CB-OD2 3.45Å; S331-D482 PolarHBondContact OG-OD2 2.8Å |
| 332 | W | 41.5 | Very low | 54.9 | Low | 132 Ų | 132 | 56.5 Ų | 56.5 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.2 | -27.6 | -178.3 | 65.8 | -91.8 | 0 | 0 | 0 | 113.6 | D329 | D329-W332 PolarHBondContact O-NE1 3.33Å; D329-W332 PolarHBondContact OD1-NE1 2.96Å |
| 333 | Q | 47.3 | Very low | 54.4 | Low | 41 Ų | 41 | 61.6 Ų | 61.6 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74 | -42.7 | 175.7 | -73 | -177.4 | -3 | 0 | 0 | 111.1 | E298 S331 N335 N336 V337 | E298-Q333 PolarHBondContact OE1-NE2 2.97Å; E298-Q333 PolarHBondContact OE1-OE1 3.28Å; E298-Q333 PolarHBondContact OE2-NE2 3.34Å; S331-Q333 PolarHBondContact O-N 3.16Å; Q333-N335 PolarHBondContact O-N 3.22Å; Q333-N336 PolarHBondContact O-N 3.14Å; Q333-V337 WeakPolarHBondContact O-CG2 3.26Å |
| 334 | L | 51 | Low | 54.5 | Low | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -13.9 | 179.4 | -72.3 | 162 | 0 | 0 | 0 | 114.9 | F330 K342 T484 | F330-L334 WeakPolarHBondContact O-CD1 3.48Å; L334-K342 HydrophobicContact CD2-CB 4.48Å; L334-K342 HydrophobicContact CD2-CD 4.24Å; L334-K342 HydrophobicContact CD2-CG 3.65Å; L334-T484 HydrophobicContact CD1-CG2 3.76Å |
| 335 | N | 46.8 | Very low | 55 | Low | 71 Ų | 71 | 68 Ų | 68 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14 | -178.4 | -72.5 | -27.3 | 0 | 0 | 0 | 114 | S331 Q333 Y471 | S331-N335 VanDerWaalsContact O-CG 3.3Å; S331-N335 PolarHBondContact O-ND2 3.46Å; S331-N335 VanDerWaalsContact O-ND2 3.08Å; Q333-N335 PolarHBondContact O-N 3.22Å; N335-Y471 PolarHBondContact OD1-OH 3.25Å |
| 336 | N | 52 | Low | 55.9 | Low | 161 Ų | 161 | 67.7 Ų | 67.7 | 86% | 0.861 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -124.5 | 4.8 | -173.4 | -98.1 | -0.6 | 0 | 0 | 0 | 114.7 | Q333 | Q333-N336 PolarHBondContact O-N 3.14Š|
| 337 | V | 61.6 | Low | 57.3 | Low | 39 Ų | 39 | 74 Ų | 74 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -103.2 | 155 | 178.5 | -94 | 0 | 0 | 0 | 0 | 112.2 | Q333 E341 Y345 | Q333-V337 WeakPolarHBondContact O-CG2 3.26Å; V337-E341 HydrophobicContact CB-CB 3.8Å; V337-E341 HydrophobicContact CG1-CB 3.89Å; V337-E341 HydrophobicContact CG1-CG 4.43Å; V337-E341 VanDerWaalsContact CG1-OE2 3.25Å; V337-E341 WeakPolarHBondContact CG1-OE2 3.44Å; V337-Y345 HydrophobicContact CG1-CE2 4.13Å |
| 338 | S | 64.3 | Low | 58.7 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | trans | -62.9 | 158.7 | 175.1 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | T340 E341 K342 | S338-T340 PolarHBondContact O-N 3.4Å; S338-T340 PolarHBondContact OG-OG1 3.47Å; S338-E341 PolarHBondContact N-OE2 3.05Å; S338-E341 PolarHBondContact O-N 3.47Å; S338-E341 VanDerWaalsContact O-N 3.16Å; S338-E341 WeakPolarHBondContact OG-CG 3.45Å; S338-E341 PolarHBondContact OG-N 3.07Å; S338-E341 PolarHBondContact OG-OE2 2.94Å; S338-K342 WeakPolarHBondContact O-CB 3.38Å; S338-K342 PolarHBondContact O-N 3.42Å | ||
| 339 | E | 62.6 | Low | 60.4 | Low | 156 Ų | 156 | 69.6 Ų | 69.6 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.2 | -34.1 | 177.1 | -78.1 | -151.8 | 151.2 | 0 | 0 | 112.9 | K342 E343 | E339-K342 WeakPolarHBondContact O-CB 3.38Å; E339-K342 PolarHBondContact O-N 2.78Å; E339-E343 PolarHBondContact O-N 3.37Å |
| 340 | T | 65.2 | Low | 62 | Low | 105 Ų | 105 | 68.5 Ų | 68.5 | 64% | 0.644 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.9 | -42.2 | 177.8 | 55 | 0 | 0 | 0 | 0 | 112.2 | S338 K342 E343 E344 | S338-T340 PolarHBondContact O-N 3.4Å; S338-T340 PolarHBondContact OG-OG1 3.47Å; T340-K342 VanDerWaalsContact C-N 3.32Å; T340-E343 PolarHBondContact O-N 2.95Å; T340-E344 PolarHBondContact O-N 2.96Å |
| 341 | E | 67.3 | Low | 63.7 | Low | 85 Ų | 85 | 68.2 Ų | 68.2 | 40% | 0.397 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.8 | -74.1 | 173 | 136.2 | 0 | 0 | 110.5 | V337 S338 E343 E344 Y345 | V337-E341 HydrophobicContact CB-CB 3.8Å; V337-E341 HydrophobicContact CG1-CB 3.89Å; V337-E341 HydrophobicContact CG1-CG 4.43Å; V337-E341 VanDerWaalsContact CG1-OE2 3.25Å; V337-E341 WeakPolarHBondContact CG1-OE2 3.44Å; S338-E341 PolarHBondContact N-OE2 3.05Å; S338-E341 PolarHBondContact O-N 3.47Å; S338-E341 VanDerWaalsContact O-N 3.16Å; S338-E341 WeakPolarHBondContact OG-CG 3.45Å; S338-E341 PolarHBondContact OG-N 3.07Å; S338-E341 PolarHBondContact OG-OE2 2.94Å; E341-E343 PolarHBondContact O-N 3.39Å; E341-E344 WeakPolarHBondContact O-CB 3.45Å; E341-E344 PolarHBondContact O-N 2.94Å; E341-E344 VanDerWaalsContact O-N 3.15Å; E341-Y345 HydrophobicContact CB-CE2 4.39Å; E341-Y345 WeakPolarHBondContact O-CD2 3.42Å; E341-Y345 PolarHBondContact O-N 2.65Å |
| 342 | K | 64.4 | Low | 65.7 | Low | 34 Ų | 34 | 67.8 Ų | 67.8 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.8 | -176.5 | 163.4 | -177 | 179.2 | 0 | 112.6 | L334 S338 E339 T340 E344 Y345 L346 | L334-K342 HydrophobicContact CD2-CB 4.48Å; L334-K342 HydrophobicContact CD2-CD 4.24Å; L334-K342 HydrophobicContact CD2-CG 3.65Å; S338-K342 WeakPolarHBondContact O-CB 3.38Å; S338-K342 PolarHBondContact O-N 3.42Å; E339-K342 WeakPolarHBondContact O-CB 3.38Å; E339-K342 PolarHBondContact O-N 2.78Å; T340-K342 VanDerWaalsContact C-N 3.32Å; K342-E344 VanDerWaalsContact C-N 3.34Å; K342-Y345 PolarHBondContact O-N 2.8Å; K342-L346 HydrophobicContact CG-CD1 4.39Å; K342-L346 VanDerWaalsContact O-CG 3.3Å; K342-L346 WeakPolarHBondContact O-CG 3.17Å; K342-L346 PolarHBondContact O-N 2.95Å |
| 343 | E | 67.6 | Low | 67.9 | Low | 113 Ų | 113 | 61.5 Ų | 61.5 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 172 | -83.1 | -166.1 | 161 | 0 | 0 | 112.4 | E339 T340 E341 L346 R347 | E339-E343 PolarHBondContact O-N 3.37Å; T340-E343 PolarHBondContact O-N 2.95Å; E341-E343 PolarHBondContact O-N 3.39Å; E343-L346 PolarHBondContact O-N 3.26Å; E343-R347 WeakPolarHBondContact O-CG 3.39Å; E343-R347 PolarHBondContact O-N 3.45Å; E343-R347 IonicContact OE2-NH2 3.04Å |
| 344 | E | 69 | Low | 69.6 | Low | 117 Ų | 117 | 59.7 Ų | 59.7 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 179.4 | -164 | 172.2 | -173.1 | 0 | 0 | 111.5 | Q305 T340 E341 K342 R347 S348 | Q305-E344 PolarHBondContact NE2-O 2.95Å; Q305-E344 PolarHBondContact OE1-O 3.19Å; T340-E344 PolarHBondContact O-N 2.96Å; E341-E344 WeakPolarHBondContact O-CB 3.45Å; E341-E344 PolarHBondContact O-N 2.94Å; E341-E344 VanDerWaalsContact O-N 3.15Å; K342-E344 VanDerWaalsContact C-N 3.34Å; E344-R347 PolarHBondContact O-N 2.86Å; E344-S348 PolarHBondContact O-N 3.41Å |
| 345 | Y | 69.1 | Low | 71.3 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 172.9 | -78.3 | -66.5 | 0 | 0 | 0 | 112.1 | V337 E341 K342 R347 S348 Y349 | V337-Y345 HydrophobicContact CG1-CE2 4.13Å; E341-Y345 HydrophobicContact CB-CE2 4.39Å; E341-Y345 WeakPolarHBondContact O-CD2 3.42Å; E341-Y345 PolarHBondContact O-N 2.65Å; K342-Y345 PolarHBondContact O-N 2.8Å; Y345-R347 VanDerWaalsContact C-N 3.29Å; Y345-R347 PolarHBondContact O-N 3.2Å; Y345-S348 WeakPolarHBondContact O-CB 3.47Å; Y345-S348 PolarHBondContact O-N 2.88Å; Y345-S348 VanDerWaalsContact O-N 3.11Å; Y345-S348 PolarHBondContact O-OG 2.85Å; Y345-Y349 HydrophobicContact CD1-CE2 4.12Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.39Å; Y345-Y349 PolarHBondContact O-N 3.33Å; Y345-Y349 VanDerWaalsContact O-N 3.16Å |
| 346 | L | 71.1 | Confident | 73.2 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.8 | -72.5 | 169.4 | 0 | 0 | 0 | 112 | K342 E343 Y349 A350 L459 T484 | K342-L346 HydrophobicContact CG-CD1 4.39Å; K342-L346 VanDerWaalsContact O-CG 3.3Å; K342-L346 WeakPolarHBondContact O-CG 3.17Å; K342-L346 PolarHBondContact O-N 2.95Å; E343-L346 PolarHBondContact O-N 3.26Å; L346-Y349 PolarHBondContact O-N 2.92Å; L346-A350 PolarHBondContact O-N 3.36Å; L346-A350 VanDerWaalsContact O-N 3.15Å; L346-L459 HydrophobicContact CD2-CD1 3.92Å; L346-T484 HydrophobicContact CD2-CG2 4.3Å |
| 347 | R | 75.1 | Confident | 74.5 | Confident | 134 Ų | 134 | 48.3 Ų | 48.3 | 51% | 0.506 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.6 | -72.7 | -178.5 | -167.4 | 171.6 | 10.3 | 112.1 | E343 E344 Y345 Y349 A350 | E343-R347 WeakPolarHBondContact O-CG 3.39Å; E343-R347 PolarHBondContact O-N 3.45Å; E343-R347 IonicContact OE2-NH2 3.04Å; E344-R347 PolarHBondContact O-N 2.86Å; Y345-R347 VanDerWaalsContact C-N 3.29Å; Y345-R347 PolarHBondContact O-N 3.2Å; R347-Y349 PolarHBondContact O-N 2.92Å; R347-A350 WeakPolarHBondContact O-CB 3.34Å; R347-A350 PolarHBondContact O-N 3.45Å |
| 348 | S | 74.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -31.2 | 177.1 | 84.1 | 0 | 0 | 0 | 0 | 112.7 | M301 Q305 T310 E344 Y345 | M301-S348 WeakPolarHBondContact CE-O 3.36Å; Q305-S348 VanDerWaalsContact OE1-CB 3.27Å; T310-S348 VanDerWaalsContact CG2-O 3.23Å; T310-S348 WeakPolarHBondContact CG2-O 3.46Å; E344-S348 PolarHBondContact O-N 3.41Å; Y345-S348 WeakPolarHBondContact O-CB 3.47Å; Y345-S348 PolarHBondContact O-N 2.88Å; Y345-S348 VanDerWaalsContact O-N 3.11Å; Y345-S348 PolarHBondContact O-OG 2.85Å |
| 349 | Y | 78.9 | Confident | 75.9 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -97.4 | -2 | -178.4 | -59 | -53.8 | 0 | 0 | 0 | 114.8 | E298 M301 F330 Y345 L346 R347 S351 L352 | E298-Y349 WeakPolarHBondContact CG-OH 3.33Å; M301-Y349 HydrophobicContact CB-CD1 4.15Å; M301-Y349 HydrophobicContact CB-CE1 3.88Å; M301-Y349 HydrophobicContact CG-CD1 4.06Å; M301-Y349 HydrophobicContact CG-CE1 3.96Å; F330-Y349 HydrophobicContact CD1-CE2 4.14Å; F330-Y349 HydrophobicContact CE1-CD1 4.37Å; F330-Y349 AromaticContact CE1-CE1 3.74Å; F330-Y349 HydrophobicContact CE1-CE1 3.74Å; F330-Y349 AromaticContact CE1-CE2 3.94Å; F330-Y349 HydrophobicContact CE1-CE2 3.94Å; F330-Y349 AromaticContact CE1-CZ 3.51Å; F330-Y349 HydrophobicContact CZ-CE1 4.29Å; Y345-Y349 HydrophobicContact CD1-CE2 4.12Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.39Å; Y345-Y349 PolarHBondContact O-N 3.33Å; Y345-Y349 VanDerWaalsContact O-N 3.16Å; L346-Y349 PolarHBondContact O-N 2.92Å; R347-Y349 PolarHBondContact O-N 2.92Å; Y349-S351 PolarHBondContact O-N 3.17Å; Y349-S351 VanDerWaalsContact O-N 3.09Å; Y349-L352 HydrophobicContact CD1-CD2 3.58Å; Y349-L352 HydrophobicContact CE1-CD2 4.24Å; Y349-L352 HydrophobicContact CG-CD2 4.41Å; Y349-L352 WeakPolarHBondContact O-CB 3.46Å; Y349-L352 PolarHBondContact O-N 3.25Å |
| 350 | A | 79.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L346 R347 V507 | L346-A350 PolarHBondContact O-N 3.36Å; L346-A350 VanDerWaalsContact O-N 3.15Å; R347-A350 WeakPolarHBondContact O-CB 3.34Å; R347-A350 PolarHBondContact O-N 3.45Å; A350-V507 HydrophobicContact CB-CG2 3.8Å |
| 351 | S | 85.5 | Confident | 76.2 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -0.1 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | T310 Y315 V316 F317 Y349 | T310-S351 WeakPolarHBondContact CA-OG 3.35Å; Y315-S351 WeakPolarHBondContact O-CB 3.45Å; V316-S351 WeakPolarHBondContact CA-O 3.36Å; F317-S351 WeakPolarHBondContact CD2-OG 3.46Å; F317-S351 PolarHBondContact N-O 3.35Å; Y349-S351 PolarHBondContact O-N 3.17Å; Y349-S351 VanDerWaalsContact O-N 3.09Å |
| 352 | L | 85.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.1 | -176.3 | -178.8 | 65.8 | 0 | 0 | 0 | 111.3 | L297 M301 F317 F330 Y349 I354 | L297-L352 HydrophobicContact CD1-CD1 4.2Å; L297-L352 HydrophobicContact CD2-CD1 4.3Å; L297-L352 HydrophobicContact CD2-CD2 3.95Å; M301-L352 HydrophobicContact CE-CB 4.22Å; M301-L352 HydrophobicContact SD-CD1 4.35Å; F317-L352 HydrophobicContact CB-CD1 4.08Å; F317-L352 CarbonylContact O-C 3.58Å; F317-L352 WeakPolarHBondContact O-CA 3.29Å; F330-L352 HydrophobicContact CZ-CD2 4.47Å; Y349-L352 HydrophobicContact CD1-CD2 3.58Å; Y349-L352 HydrophobicContact CE1-CD2 4.24Å; Y349-L352 HydrophobicContact CG-CD2 4.41Å; Y349-L352 WeakPolarHBondContact O-CB 3.46Å; Y349-L352 PolarHBondContact O-N 3.25Å; L352-I354 HydrophobicContact CD2-CD1 4.16Å; L352-I354 HydrophobicContact CD2-CG1 4.11Å; L352-I354 HydrophobicContact CG-CG1 4.1Å |
| 353 | K | 86.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.1 | 167.2 | -54.9 | -68.1 | 177.8 | -102.8 | 0 | 107.9 | V316 F317 I318 S319 D458 W504 H505 | V316-K353 HydrophobicContact CG2-CG 4.01Å; F317-K353 PolarHBondContact O-N 3.41Å; I318-K353 CarbonylContact C-O 3.46Å; I318-K353 WeakPolarHBondContact CA-O 3.47Å; I318-K353 HydrophobicContact CG1-CB 4.37Å; S319-K353 PolarHBondContact N-O 2.96Å; K353-D458 HydrophobicContact CD-CB 3.96Å; K353-D458 VanDerWaalsContact CD-OD1 3.28Å; K353-D458 WeakPolarHBondContact CD-OD1 3.43Å; K353-D458 WeakPolarHBondContact CD-OD2 3.4Å; K353-D458 WeakPolarHBondContact CE-OD1 3.42Å; K353-D458 WeakPolarHBondContact CE-OD2 3.24Å; K353-D458 IonicContact NZ-OD1 3.7Å; K353-D458 PolarHBondContact NZ-OD1 3.41Å; K353-D458 IonicContact NZ-OD2 2.61Å; K353-D458 PolarHBondContact NZ-OD2 3.24Å; K353-W504 HydrophobicContact CD-CE3 4.11Å; K353-W504 HydrophobicContact CD-CZ3 4.14Å; K353-W504 HydrophobicContact CG-CZ3 4.33Å; K353-H505 WeakPolarHBondContact CE-O 3.22Å; K353-H505 PolarHBondContact NZ-O 2.97Å |
| 354 | I | 84.6 | Confident | 76.9 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.4 | -176 | -58.5 | 170.7 | 0 | 0 | 0 | 109.8 | S319 H321 F330 L352 V456 L457 F485 | S319-I354 CarbonylContact O-C 3.6Å; S319-I354 WeakPolarHBondContact O-CA 3.33Å; H321-I354 HydrophobicContact CB-CG2 4.15Å; F330-I354 HydrophobicContact CD2-CD1 4.25Å; F330-I354 HydrophobicContact CE2-CD1 3.6Å; F330-I354 HydrophobicContact CZ-CD1 4.37Å; L352-I354 HydrophobicContact CD2-CD1 4.16Å; L352-I354 HydrophobicContact CD2-CG1 4.11Å; L352-I354 HydrophobicContact CG-CG1 4.1Å; I354-V456 CarbonylContact O-C 3.46Å; I354-V456 WeakPolarHBondContact O-CA 3.25Å; I354-L457 HydrophobicContact CB-CB 4.25Å; I354-L457 PolarHBondContact N-O 3.32Å; I354-L457 PolarHBondContact O-N 2.9Å; I354-F485 HydrophobicContact CD1-CD1 4.3Å; I354-F485 HydrophobicContact CD1-CE1 4.01Å; I354-F485 HydrophobicContact CD1-CE2 4.47Å; I354-F485 HydrophobicContact CD1-CZ 4.11Å |
| 355 | V | 86.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.3 | 173 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L169 T172 I173 M176 I318 S319 H321 S455 V456 | L169-V355 HydrophobicContact CD1-CG1 4.17Å; T172-V355 HydrophobicContact CG2-CG1 4.42Å; I173-V355 HydrophobicContact CD1-CG1 4.4Å; I173-V355 HydrophobicContact CD1-CG2 3.99Å; M176-V355 HydrophobicContact SD-CG2 4.29Å; I318-V355 HydrophobicContact CG2-CG2 3.79Å; S319-V355 PolarHBondContact O-N 3.36Å; H321-V355 CarbonylContact C-O 3.59Å; H321-V355 PolarHBondContact N-O 2.92Å; V355-S455 WeakPolarHBondContact CA-O 3.44Å; V355-V456 HydrophobicContact CG2-CG2 4.4Å |
| 356 | T | 84.9 | Confident | 78 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 174.2 | -179.1 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | H321 Y454 S455 L457 | H321-T356 WeakPolarHBondContact O-CA 3.44Å; H321-T356 VanDerWaalsContact O-CB 3.28Å; H321-T356 WeakPolarHBondContact O-CB 3.35Å; H321-T356 PolarHBondContact O-OG1 3.24Å; T356-Y454 CarbonylContact O-C 3.57Å; T356-Y454 VanDerWaalsContact O-CA 3.28Å; T356-Y454 WeakPolarHBondContact O-CA 3.45Å; T356-S455 PolarHBondContact N-O 3.32Å; T356-S455 PolarHBondContact O-N 3.44Å; T356-L457 HydrophobicContact CG2-CD1 3.78Å; T356-L457 HydrophobicContact CG2-CG 4.09Å |
| 357 | L | 80.9 | Confident | 78.7 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.5 | 172.7 | -77.6 | 162.9 | 0 | 0 | 0 | 110.3 | I322 R359 K394 F395 Y454 | I322-L357 HydrophobicContact CG2-CD1 3.54Å; I322-L357 HydrophobicContact CG2-CD2 4.5Å; I322-L357 HydrophobicContact CG2-CG 3.81Å; L357-R359 PolarHBondContact O-N 3.27Å; L357-K394 HydrophobicContact CB-CD 3.49Å; L357-K394 VanDerWaalsContact CB-CD 3.49Å; L357-K394 HydrophobicContact CD1-CB 4.4Å; L357-K394 HydrophobicContact CD1-CD 3.97Å; L357-K394 HydrophobicContact CD2-CD 4.2Å; L357-K394 HydrophobicContact CG-CD 4.08Å; L357-F395 HydrophobicContact CD1-CE2 4.14Å; L357-F395 HydrophobicContact CD1-CZ 4.11Å; L357-Y454 HydrophobicContact CD2-CD1 3.99Å; L357-Y454 HydrophobicContact CD2-CE1 3.62Å; L357-Y454 HydrophobicContact CG-CD1 4.43Å; L357-Y454 HydrophobicContact CG-CE1 4.2Å |
| 358 | R | 81.6 | Confident | 79.4 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -62.6 | 131.1 | -179 | -172.3 | 167.9 | -163.4 | -153.2 | 3.9 | 112.5 | K394 D453 S455 E487 Y490 | R358-K394 WeakPolarHBondContact O-CE 3.3Å; R358-K394 PolarHBondContact O-NZ 3.49Å; R358-D453 HydrophobicContact CB-CB 3.98Å; R358-D453 WeakPolarHBondContact CB-O 3.29Å; R358-D453 PolarHBondContact N-O 3.37Å; R358-S455 VanDerWaalsContact CA-OG 3.25Å; R358-S455 WeakPolarHBondContact CA-OG 3.42Å; R358-S455 VanDerWaalsContact CB-OG 3.24Å; R358-S455 WeakPolarHBondContact CB-OG 3.29Å; R358-S455 VanDerWaalsContact CG-OG 3.26Å; R358-S455 WeakPolarHBondContact CG-OG 3.43Å; R358-E487 IonicContact NE-OE1 2.64Å; R358-E487 IonicContact NE-OE2 3.82Å; R358-E487 PolarHBondContact NE-OE2 3.32Å; R358-E487 IonicContact NH2-OE1 2.68Å; R358-E487 PolarHBondContact NH2-OE1 3.38Å; R358-Y490 VanDerWaalsContact NH1-CD2 3.33Å; R358-Y490 VanDerWaalsContact NH1-CE2 3.31Å |
| 359 | R | 72.4 | Confident | 80 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 141.4 | 175 | -78.3 | -175.7 | 174.8 | 175.6 | -1.2 | 111.1 | D325 D328 L357 D481 | D325-R359 IonicContact OD1-NE 3.67Å; D325-R359 IonicContact OD1-NH2 3.74Å; D328-R359 IonicContact OD1-CZ 3.85Å; D328-R359 IonicContact OD1-NH1 3.73Å; D328-R359 IonicContact OD1-NH2 3.77Å; D328-R359 PolarHBondContact OD1-NH2 3.01Å; L357-R359 PolarHBondContact O-N 3.27Å; R359-D481 IonicContact NH1-OD1 3.17Å; R359-D481 PolarHBondContact NH1-OD1 3.44Å; R359-D481 IonicContact NH1-OD2 2.9Å |
| 360 | P | 70.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 162.6 | 177.9 | 30.8 | -34.1 | 0 | 0 | 0 | 112.8 | Q362 Y365 G439 | P360-Q362 PolarHBondContact O-N 3.38Å; P360-Y365 HydrophobicContact CB-CD2 4.19Å; P360-Y365 HydrophobicContact CB-CG 4.49Å; P360-Y365 HydrophobicContact CG-CD1 3.96Å; P360-Y365 HydrophobicContact CG-CD2 3.28Å; P360-Y365 HydrophobicContact CG-CE1 4.1Å; P360-Y365 HydrophobicContact CG-CE2 3.45Å; P360-Y365 VanDerWaalsContact CG-CE2 3.45Å; P360-Y365 HydrophobicContact CG-CG 3.53Å; P360-G439 VanDerWaalsContact CB-CA 3.4Å; P360-G439 VanDerWaalsContact CB-O 3.3Å; P360-G439 WeakPolarHBondContact CB-O 3.35Å |
| 361 | P | 64.7 | Low | 81 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 135.3 | 180 | 21.1 | -30.6 | 0 | 0 | 0 | 113.1 | F363 | P361-F363 PolarHBondContact O-N 3.32Š|
| 362 | Q | 67.8 | Low | 81.3 | Confident | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.7 | -35.5 | -157.3 | -69.5 | 179.1 | -11.2 | 0 | 0 | 116.2 | P360 R366 D481 | P360-Q362 PolarHBondContact O-N 3.38Å; Q362-R366 WeakPolarHBondContact O-CB 3.49Å; Q362-R366 PolarHBondContact O-N 2.75Å; Q362-D481 PolarHBondContact NE2-OD2 2.83Å; Q362-D481 VanDerWaalsContact NE2-OD2 3.08Å |
| 363 | F | 70.6 | Confident | 81.5 | Confident | 177 Ų | 177 | 61.7 Ų | 61.7 | 78% | 0.776 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.7 | -53.6 | -166.9 | 177.7 | -99.2 | 0 | 0 | 0 | 114.3 | P361 | P361-F363 PolarHBondContact O-N 3.32Å |
| 364 | L | 74.4 | Confident | 81.7 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 61% | 0.613 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -72.1 | -34.8 | -179.9 | -72.1 | 171.6 | 0 | 0 | 0 | 111.8 | F368 | L364-F368 PolarHBondContact O-N 3.36Å |
| 365 | Y | 80.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -39.3 | -177.7 | -163.8 | -100.8 | 0 | 0 | 0 | 112.4 | P360 R367 F368 E369 S397 I438 | P360-Y365 HydrophobicContact CB-CD2 4.19Å; P360-Y365 HydrophobicContact CB-CG 4.49Å; P360-Y365 HydrophobicContact CG-CD1 3.96Å; P360-Y365 HydrophobicContact CG-CD2 3.28Å; P360-Y365 HydrophobicContact CG-CE1 4.1Å; P360-Y365 HydrophobicContact CG-CE2 3.45Å; P360-Y365 VanDerWaalsContact CG-CE2 3.45Å; P360-Y365 HydrophobicContact CG-CG 3.53Å; Y365-R367 PolarHBondContact O-N 2.8Å; Y365-F368 HydrophobicContact CD2-CD1 4.27Å; Y365-F368 HydrophobicContact CE2-CD1 4.22Å; Y365-F368 HydrophobicContact CE2-CE1 4.28Å; Y365-F368 WeakPolarHBondContact O-CB 3.45Å; Y365-F368 PolarHBondContact O-N 3.2Å; Y365-E369 WeakPolarHBondContact O-CB 3.49Å; Y365-E369 PolarHBondContact O-N 3.19Å; Y365-S397 PolarHBondContact OH-OG 3.31Å; Y365-I438 HydrophobicContact CD2-CG1 4.26Å |
| 366 | R | 81.9 | Confident | 82.2 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.6 | -174.9 | -179.2 | -95.4 | -177.6 | -11.9 | 112 | Q362 E369 E370 G478 | Q362-R366 WeakPolarHBondContact O-CB 3.49Å; Q362-R366 PolarHBondContact O-N 2.75Å; R366-E369 WeakPolarHBondContact O-CB 3.3Å; R366-E369 PolarHBondContact O-N 3.02Å; R366-E370 WeakPolarHBondContact O-CG 3.48Å; R366-E370 PolarHBondContact O-N 3.11Å; R366-G478 PolarHBondContact NH2-O 3.45Å |
| 367 | R | 85.5 | Confident | 82.5 | Confident | 176 Ų | 176 | 71.7 Ų | 71.7 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 175.7 | -177 | 177.6 | 178.1 | 171.3 | 2.8 | 112 | Y365 E369 E370 D371 | Y365-R367 PolarHBondContact O-N 2.8Å; R367-E369 VanDerWaalsContact C-N 3.27Å; R367-E369 PolarHBondContact O-N 3.18Å; R367-E370 PolarHBondContact O-N 3.28Å; R367-D371 PolarHBondContact O-N 3.21Å |
| 368 | F | 88.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 174.5 | 160.2 | -101.7 | 0 | 0 | 0 | 111.6 | V66 L69 L364 Y365 D371 V372 V392 Y400 I438 | V66-F368 HydrophobicContact CG1-CE2 4.25Å; V66-F368 HydrophobicContact CG1-CZ 3.97Å; L69-F368 HydrophobicContact CD2-CD2 3.68Å; L69-F368 HydrophobicContact CD2-CE2 3.95Å; L364-F368 PolarHBondContact O-N 3.36Å; Y365-F368 HydrophobicContact CD2-CD1 4.27Å; Y365-F368 HydrophobicContact CE2-CD1 4.22Å; Y365-F368 HydrophobicContact CE2-CE1 4.28Å; Y365-F368 WeakPolarHBondContact O-CB 3.45Å; Y365-F368 PolarHBondContact O-N 3.2Å; F368-D371 PolarHBondContact O-N 3Å; F368-V372 HydrophobicContact CD2-CG2 3.91Å; F368-V372 HydrophobicContact CE1-CG2 4.31Å; F368-V372 HydrophobicContact CE2-CG2 3.52Å; F368-V372 HydrophobicContact CG-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 3.75Å; F368-V372 VanDerWaalsContact O-CG2 3.28Å; F368-V372 WeakPolarHBondContact O-CG2 3.2Å; F368-V372 PolarHBondContact O-N 3.4Å; F368-V392 HydrophobicContact CD1-CG1 4.4Å; F368-V392 HydrophobicContact CE1-CG1 3.68Å; F368-Y400 HydrophobicContact CD2-CD2 4.16Å; F368-Y400 HydrophobicContact CD2-CE2 4.4Å; F368-Y400 AromaticContact CE2-CD2 3.63Å; F368-Y400 HydrophobicContact CE2-CD2 3.63Å; F368-Y400 HydrophobicContact CE2-CE2 4.31Å; F368-Y400 HydrophobicContact CE2-CG 4Å; F368-I438 HydrophobicContact CB-CD1 3.63Å; F368-I438 HydrophobicContact CB-CG1 3.7Å; F368-I438 HydrophobicContact CD1-CG1 3.79Å; F368-I438 HydrophobicContact CD2-CD1 4.4Å; F368-I438 HydrophobicContact CD2-CG1 3.99Å; F368-I438 HydrophobicContact CE1-CG1 4.39Å; F368-I438 HydrophobicContact CE1-CG2 4.37Å; F368-I438 HydrophobicContact CG-CD1 4.02Å; F368-I438 HydrophobicContact CG-CG1 3.56Å |
| 369 | E | 86.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 23% | 0.229 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 178.6 | -177.9 | 178.6 | -175.9 | 0 | 0 | 112.4 | Y365 R366 R367 V372 K373 V392 | Y365-E369 WeakPolarHBondContact O-CB 3.49Å; Y365-E369 PolarHBondContact O-N 3.19Å; R366-E369 WeakPolarHBondContact O-CB 3.3Å; R366-E369 PolarHBondContact O-N 3.02Å; R367-E369 VanDerWaalsContact C-N 3.27Å; R367-E369 PolarHBondContact O-N 3.18Å; E369-V372 PolarHBondContact O-N 2.86Å; E369-K373 HydrophobicContact CG-CD 4.07Å; E369-K373 WeakPolarHBondContact O-CB 3.37Å; E369-K373 VanDerWaalsContact O-CG 3.25Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 2.72Å; E369-K373 WeakPolarHBondContact OE1-CE 3.46Å; E369-K373 IonicContact OE1-NZ 2.83Å; E369-K373 PolarHBondContact OE1-NZ 3.09Å; E369-V392 HydrophobicContact CB-CG2 4.25Å; E369-V392 HydrophobicContact CG-CB 4.02Å; E369-V392 HydrophobicContact CG-CG2 3.76Å |
| 370 | E | 88.8 | Confident | 84.1 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.3 | -72 | 170.4 | -174.6 | 0 | 0 | 112 | R366 R367 V372 K373 R374 | R366-E370 WeakPolarHBondContact O-CG 3.48Å; R366-E370 PolarHBondContact O-N 3.11Å; R367-E370 PolarHBondContact O-N 3.28Å; E370-V372 PolarHBondContact O-N 2.76Å; E370-K373 PolarHBondContact O-N 3.3Å; E370-R374 WeakPolarHBondContact O-CB 3.11Å; E370-R374 PolarHBondContact O-N 2.97Å |
| 371 | D | 91.4 | Very high | 84.9 | Confident | 32 Ų | 32 | 80.6 Ų | 80.6 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 179.6 | -76.3 | -32.6 | 0 | 0 | 0 | 112 | L69 R367 F368 R374 L375 | L69-D371 HydrophobicContact CD2-CB 3.97Å; R367-D371 PolarHBondContact O-N 3.21Å; F368-D371 PolarHBondContact O-N 3Å; D371-R374 IonicContact OD1-CZ 3.03Å; D371-R374 IonicContact OD1-NH1 3.93Å; D371-R374 PolarHBondContact OD1-NH1 3.06Å; D371-R374 IonicContact OD1-NH2 2.89Å; D371-R374 PolarHBondContact OD1-NH2 3.27Å; D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 WeakPolarHBondContact O-CG 3.45Å; D371-L375 PolarHBondContact O-N 2.83Å |
| 372 | V | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | P65 V66 L69 F368 E369 E370 R374 L375 A376 Y390 V392 | P65-V372 HydrophobicContact CB-CG1 4.29Å; V66-V372 HydrophobicContact CG2-CG1 3.71Å; V66-V372 HydrophobicContact CG2-CG2 4.09Å; L69-V372 HydrophobicContact CD2-CG2 3.68Å; F368-V372 HydrophobicContact CD2-CG2 3.91Å; F368-V372 HydrophobicContact CE1-CG2 4.31Å; F368-V372 HydrophobicContact CE2-CG2 3.52Å; F368-V372 HydrophobicContact CG-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 3.75Å; F368-V372 VanDerWaalsContact O-CG2 3.28Å; F368-V372 WeakPolarHBondContact O-CG2 3.2Å; F368-V372 PolarHBondContact O-N 3.4Å; E369-V372 PolarHBondContact O-N 2.86Å; E370-V372 PolarHBondContact O-N 2.76Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.76Å; V372-L375 PolarHBondContact O-N 3.16Å; V372-A376 WeakPolarHBondContact O-CB 3.03Å; V372-A376 PolarHBondContact O-N 3.3Å; V372-Y390 HydrophobicContact CG1-CD1 4.38Å; V372-Y390 HydrophobicContact CG1-CE1 3.5Å; V372-Y390 VanDerWaalsContact CG1-CE1 3.5Å; V372-Y390 WeakPolarHBondContact CG1-OH 3.38Å; V372-V392 HydrophobicContact CB-CG2 4.04Å; V372-V392 HydrophobicContact CG1-CG2 3.86Å |
| 373 | K | 90.2 | Very high | 86.5 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 176 | -78.4 | 171.2 | 177.8 | 171.5 | 0 | 110.9 | E369 E370 A376 Q377 Y390 | E369-K373 HydrophobicContact CG-CD 4.07Å; E369-K373 WeakPolarHBondContact O-CB 3.37Å; E369-K373 VanDerWaalsContact O-CG 3.25Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 2.72Å; E369-K373 WeakPolarHBondContact OE1-CE 3.46Å; E369-K373 IonicContact OE1-NZ 2.83Å; E369-K373 PolarHBondContact OE1-NZ 3.09Å; E370-K373 PolarHBondContact O-N 3.3Å; K373-A376 PolarHBondContact O-N 3Å; K373-Q377 WeakPolarHBondContact O-CB 3.41Å; K373-Q377 PolarHBondContact O-N 3.05Å; K373-Y390 VanDerWaalsContact CE-O 3.22Å; K373-Y390 WeakPolarHBondContact CE-O 3.47Å; K373-Y390 HydrophobicContact CG-CD1 3.89Å; K373-Y390 HydrophobicContact CG-CG 4.48Å |
| 374 | R | 91.6 | Very high | 87 | Confident | 115 Ų | 115 | 74.4 Ų | 74.4 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 176 | -174.2 | -179.1 | 65.8 | -127.1 | -12.9 | 111.3 | E370 D371 V372 A376 Q377 E378 | E370-R374 WeakPolarHBondContact O-CB 3.11Å; E370-R374 PolarHBondContact O-N 2.97Å; D371-R374 IonicContact OD1-CZ 3.03Å; D371-R374 IonicContact OD1-NH1 3.93Å; D371-R374 PolarHBondContact OD1-NH1 3.06Å; D371-R374 IonicContact OD1-NH2 2.89Å; D371-R374 PolarHBondContact OD1-NH2 3.27Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.76Å; R374-A376 PolarHBondContact O-N 3.06Å; R374-Q377 PolarHBondContact O-N 2.99Å; R374-E378 WeakPolarHBondContact CD-OE1 3.4Å; R374-E378 HydrophobicContact CG-CG 4.35Å; R374-E378 VanDerWaalsContact CG-OE1 3.27Å; R374-E378 WeakPolarHBondContact CG-OE1 3.11Å; R374-E378 IonicContact NE-OE1 3.88Å; R374-E378 WeakPolarHBondContact O-CB 3.06Å; R374-E378 WeakPolarHBondContact O-CG 3.41Å; R374-E378 PolarHBondContact O-N 3.42Å |
| 375 | L | 92.1 | Very high | 87.2 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.6 | -76.7 | 168.4 | 0 | 0 | 0 | 113.1 | P65 L69 D371 V372 Q377 K379 | P65-L375 HydrophobicContact CB-CB 3.97Å; L69-L375 HydrophobicContact CB-CD1 3.89Å; L69-L375 HydrophobicContact CD1-CD1 4.09Å; L69-L375 HydrophobicContact CG-CD1 4.4Å; D371-L375 WeakPolarHBondContact O-CB 3.45Å; D371-L375 WeakPolarHBondContact O-CG 3.45Å; D371-L375 PolarHBondContact O-N 2.83Å; V372-L375 PolarHBondContact O-N 3.16Å; L375-Q377 VanDerWaalsContact C-N 3.33Å; L375-K379 VanDerWaalsContact O-CB 3.23Å; L375-K379 WeakPolarHBondContact O-CB 3.46Å; L375-K379 PolarHBondContact O-N 3.28Å |
| 376 | A | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P65 V372 K373 R374 F380 Y390 | P65-A376 HydrophobicContact CB-CB 4.19Å; P65-A376 HydrophobicContact CG-CB 3.74Å; V372-A376 WeakPolarHBondContact O-CB 3.03Å; V372-A376 PolarHBondContact O-N 3.3Å; K373-A376 PolarHBondContact O-N 3Å; R374-A376 PolarHBondContact O-N 3.06Å; A376-F380 WeakPolarHBondContact O-CB 3.48Å; A376-F380 PolarHBondContact O-N 3.47Å; A376-Y390 HydrophobicContact CB-CD2 3.33Å; A376-Y390 HydrophobicContact CB-CE2 3.52Å; A376-Y390 HydrophobicContact CB-CG 3.96Å |
| 377 | Q | 90.1 | Very high | 86.4 | Confident | 72 Ų | 72 | 73 Ų | 73 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.2 | -43.2 | 177.9 | -171.1 | 56.5 | 36.1 | 0 | 0 | 112 | K373 R374 L375 N381 T383 | K373-Q377 WeakPolarHBondContact O-CB 3.41Å; K373-Q377 PolarHBondContact O-N 3.05Å; R374-Q377 PolarHBondContact O-N 2.99Å; L375-Q377 VanDerWaalsContact C-N 3.33Å; Q377-N381 PolarHBondContact NE2-OD1 3.26Å; Q377-N381 WeakPolarHBondContact O-CA 3.26Å; Q377-N381 PolarHBondContact O-N 3.04Å; Q377-T383 PolarHBondContact OE1-OG1 3.16Å |
| 378 | E | 91 | Very high | 85.7 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.8 | -75 | 171.2 | 178.1 | 0 | 0 | 112.3 | R374 | R374-E378 WeakPolarHBondContact CD-OE1 3.4Å; R374-E378 HydrophobicContact CG-CG 4.35Å; R374-E378 VanDerWaalsContact CG-OE1 3.27Å; R374-E378 WeakPolarHBondContact CG-OE1 3.11Å; R374-E378 IonicContact NE-OE1 3.88Å; R374-E378 WeakPolarHBondContact O-CB 3.06Å; R374-E378 WeakPolarHBondContact O-CG 3.41Å; R374-E378 PolarHBondContact O-N 3.42Å |
| 379 | K | 90 | Very high | 84.9 | Confident | 106 Ų | 106 | 75.4 Ų | 75.4 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -87.9 | -35.9 | -171.3 | -170.1 | 166.1 | 179.8 | 169.5 | 0 | 114.3 | E64 L375 | E64-K379 VanDerWaalsContact CD-NZ 3.29Å; E64-K379 WeakPolarHBondContact OE1-CE 3.05Å; E64-K379 IonicContact OE1-NZ 3.71Å; E64-K379 PolarHBondContact OE1-NZ 2.86Å; L375-K379 VanDerWaalsContact O-CB 3.23Å; L375-K379 WeakPolarHBondContact O-CB 3.46Å; L375-K379 PolarHBondContact O-N 3.28Å |
| 380 | F | 87.8 | Confident | 84.5 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -119.2 | -8 | -174 | -63.2 | -78.7 | 0 | 0 | 0 | 114 | R60 E64 P65 A376 Y382 | R60-F380 HydrophobicContact CG-CZ 4.36Å; E64-F380 HydrophobicContact CB-CE2 4.13Å; E64-F380 HydrophobicContact CB-CZ 4.04Å; E64-F380 HydrophobicContact CG-CE2 4.46Å; E64-F380 HydrophobicContact CG-CZ 4.27Å; E64-F380 WeakPolarHBondContact OE2-CZ 3.34Å; P65-F380 HydrophobicContact CG-CD2 4.22Å; P65-F380 HydrophobicContact CG-CE2 4.02Å; A376-F380 WeakPolarHBondContact O-CB 3.48Å; A376-F380 PolarHBondContact O-N 3.47Å; F380-Y382 PolarHBondContact O-N 3.15Å |
| 381 | N | 88.5 | Confident | 83.9 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | 50.3 | 47 | -168 | -159.7 | -10.8 | 0 | 0 | 0 | 110.8 | Q377 T383 K384 L385 | Q377-N381 PolarHBondContact NE2-OD1 3.26Å; Q377-N381 WeakPolarHBondContact O-CA 3.26Å; Q377-N381 PolarHBondContact O-N 3.04Å; N381-T383 VanDerWaalsContact C-N 3.28Å; N381-T383 PolarHBondContact O-N 3.41Å; N381-T383 VanDerWaalsContact O-N 3.13Å; N381-K384 HydrophobicContact CB-CB 4.5Å; N381-K384 WeakPolarHBondContact O-CB 3.36Å; N381-K384 PolarHBondContact O-N 3.03Å; N381-K384 WeakPolarHBondContact OD1-CB 3.23Å; N381-L385 PolarHBondContact O-N 2.7Å | ||
| 382 | Y | 83 | Confident | 83.4 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -50.3 | -43.6 | -164.6 | -177.6 | -86.1 | 0 | 0 | 0 | 114 | V62 F380 K384 L385 T386 Y390 | V62-Y382 HydrophobicContact CG2-CE2 3.75Å; F380-Y382 PolarHBondContact O-N 3.15Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 3.29Å; Y382-L385 WeakPolarHBondContact O-CB 3.43Å; Y382-L385 PolarHBondContact O-N 3.39Å; Y382-T386 HydrophobicContact CD1-CG2 4.44Å; Y382-T386 HydrophobicContact CD2-CG2 4.31Å; Y382-T386 HydrophobicContact CE1-CG2 4.06Å; Y382-T386 WeakPolarHBondContact CE1-OG1 3.43Å; Y382-T386 HydrophobicContact CE2-CG2 3.92Å; Y382-T386 PolarHBondContact O-N 3.24Å; Y382-T386 PolarHBondContact O-OG1 2.63Å; Y382-Y390 AromaticContact CD1-CD2 3.92Å; Y382-Y390 HydrophobicContact CD1-CD2 3.92Å; Y382-Y390 HydrophobicContact CD1-CG 4.27Å; Y382-Y390 AromaticContact CD2-CD2 3.7Å; Y382-Y390 HydrophobicContact CD2-CD2 3.7Å; Y382-Y390 HydrophobicContact CD2-CE2 4.31Å; Y382-Y390 HydrophobicContact CE1-CD2 4.04Å; Y382-Y390 HydrophobicContact CE1-CG 4.36Å; Y382-Y390 AromaticContact CE2-CD2 3.82Å; Y382-Y390 HydrophobicContact CE2-CD2 3.82Å; Y382-Y390 HydrophobicContact CE2-CE2 4.28Å; Y382-Y390 AromaticContact CG-CD2 3.74Å; Y382-Y390 HydrophobicContact CG-CD2 3.74Å; Y382-Y390 HydrophobicContact CG-CG 4.47Å; Y382-Y390 AromaticContact CZ-CD2 3.98Å |
| 383 | T | 81.9 | Confident | 82.8 | Confident | 63 Ų | 63 | 74 Ų | 74 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | -177.8 | -48 | 0 | 0 | 0 | 0 | 111.4 | Q377 N381 G387 | Q377-T383 PolarHBondContact OE1-OG1 3.16Å; N381-T383 VanDerWaalsContact C-N 3.28Å; N381-T383 PolarHBondContact O-N 3.41Å; N381-T383 VanDerWaalsContact O-N 3.13Å; T383-G387 WeakPolarHBondContact O-CA 2.88Å; T383-G387 PolarHBondContact O-N 3.18Å |
| 384 | K | 80.8 | Confident | 82.4 | Confident | 171 Ų | 171 | 71.5 Ų | 71.5 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.2 | -36 | 175.7 | -171.3 | 179.6 | -178.8 | 179.9 | 0 | 111.8 | N381 Y382 | N381-K384 HydrophobicContact CB-CB 4.5Å; N381-K384 WeakPolarHBondContact O-CB 3.36Å; N381-K384 PolarHBondContact O-N 3.03Å; N381-K384 WeakPolarHBondContact OD1-CB 3.23Å; Y382-K384 VanDerWaalsContact C-N 3.31Å; Y382-K384 PolarHBondContact O-N 3.29Å |
| 385 | L | 78.7 | Confident | 82.1 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 61% | 0.613 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.2 | -42.3 | -179.7 | -173.3 | 78.5 | 0 | 0 | 0 | 112.3 | N381 Y382 | N381-L385 PolarHBondContact O-N 2.7Å; Y382-L385 WeakPolarHBondContact O-CB 3.43Å; Y382-L385 PolarHBondContact O-N 3.39Å |
| 386 | T | 72.9 | Confident | 81.9 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -106.1 | -13.4 | -169.8 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | Y382 K388 | Y382-T386 HydrophobicContact CD1-CG2 4.44Å; Y382-T386 HydrophobicContact CD2-CG2 4.31Å; Y382-T386 HydrophobicContact CE1-CG2 4.06Å; Y382-T386 WeakPolarHBondContact CE1-OG1 3.43Å; Y382-T386 HydrophobicContact CE2-CG2 3.92Å; Y382-T386 PolarHBondContact O-N 3.24Å; Y382-T386 PolarHBondContact O-OG1 2.63Å; T386-K388 PolarHBondContact O-N 3.39Å; T386-K388 PolarHBondContact OG1-N 3.05Å; T386-K388 PolarHBondContact OG1-O 3.01Å; T386-K388 VanDerWaalsContact OG1-O 3.06Å |
| 387 | G | 73.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 64.9 Ų | 64.9 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 68.9 | 6.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | T383 | T383-G387 WeakPolarHBondContact O-CA 2.88Å; T383-G387 PolarHBondContact O-N 3.18Å |
| 388 | K | 70.7 | Confident | 81.9 | Confident | 151 Ų | 151 | 61.5 Ų | 61.5 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -129.2 | 146.2 | -179.3 | -64.6 | -172.2 | 179.6 | -172.3 | 0 | 110.4 | T386 | T386-K388 PolarHBondContact O-N 3.39Å; T386-K388 PolarHBondContact OG1-N 3.05Å; T386-K388 PolarHBondContact OG1-O 3.01Å; T386-K388 VanDerWaalsContact OG1-O 3.06Å |
| 389 | P | 72.5 | Confident | 82 | Confident | 85 Ų | 85 | 55.1 Ų | 55.1 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | trans | -63.4 | 147.3 | 173.4 | 27.5 | -33.9 | 0 | 0 | 0 | 110.6 | R391 | P389-R391 PolarHBondContact O-N 2.91Š| ||
| 390 | Y | 79.4 | Confident | 82.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -64.8 | 130.9 | 175.1 | -173.2 | -76.1 | 0 | 0 | 0 | 110.5 | V62 V372 K373 A376 Y382 V392 | V62-Y390 PolarHBondContact O-OH 3.25Å; V372-Y390 HydrophobicContact CG1-CD1 4.38Å; V372-Y390 HydrophobicContact CG1-CE1 3.5Å; V372-Y390 VanDerWaalsContact CG1-CE1 3.5Å; V372-Y390 WeakPolarHBondContact CG1-OH 3.38Å; K373-Y390 VanDerWaalsContact CE-O 3.22Å; K373-Y390 WeakPolarHBondContact CE-O 3.47Å; K373-Y390 HydrophobicContact CG-CD1 3.89Å; K373-Y390 HydrophobicContact CG-CG 4.48Å; A376-Y390 HydrophobicContact CB-CD2 3.33Å; A376-Y390 HydrophobicContact CB-CE2 3.52Å; A376-Y390 HydrophobicContact CB-CG 3.96Å; Y382-Y390 AromaticContact CD1-CD2 3.92Å; Y382-Y390 HydrophobicContact CD1-CD2 3.92Å; Y382-Y390 HydrophobicContact CD1-CG 4.27Å; Y382-Y390 AromaticContact CD2-CD2 3.7Å; Y382-Y390 HydrophobicContact CD2-CD2 3.7Å; Y382-Y390 HydrophobicContact CD2-CE2 4.31Å; Y382-Y390 HydrophobicContact CE1-CD2 4.04Å; Y382-Y390 HydrophobicContact CE1-CG 4.36Å; Y382-Y390 AromaticContact CE2-CD2 3.82Å; Y382-Y390 HydrophobicContact CE2-CD2 3.82Å; Y382-Y390 HydrophobicContact CE2-CE2 4.28Å; Y382-Y390 AromaticContact CG-CD2 3.74Å; Y382-Y390 HydrophobicContact CG-CD2 3.74Å; Y382-Y390 HydrophobicContact CG-CG 4.47Å; Y382-Y390 AromaticContact CZ-CD2 3.98Å; Y390-V392 HydrophobicContact CD1-CG2 4.2Å; Y390-V392 HydrophobicContact CE1-CG2 3.6Å | ||
| 391 | R | 75.8 | Confident | 82.5 | Confident | 114 Ų | 114 | 48.1 Ų | 48.1 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | trans | -121.3 | 129.7 | 176.3 | -67.1 | -174.7 | 176.3 | 174.3 | -3.1 | 110.1 | D329 P389 | D329-R391 IonicContact OD1-CZ 3.48Å; D329-R391 IonicContact OD1-NH1 2.87Å; D329-R391 PolarHBondContact OD1-NH1 2.67Å; D329-R391 IonicContact OD1-NH2 3.84Å; D329-R391 IonicContact OD2-NH1 3.79Å; P389-R391 PolarHBondContact O-N 2.91Å | ||
| 392 | V | 80 | Confident | 82.8 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | trans | -87.4 | 110 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | F368 E369 V372 Y390 | F368-V392 HydrophobicContact CD1-CG1 4.4Å; F368-V392 HydrophobicContact CE1-CG1 3.68Å; E369-V392 HydrophobicContact CB-CG2 4.25Å; E369-V392 HydrophobicContact CG-CB 4.02Å; E369-V392 HydrophobicContact CG-CG2 3.76Å; V372-V392 HydrophobicContact CB-CG2 4.04Å; V372-V392 HydrophobicContact CG1-CG2 3.86Å; Y390-V392 HydrophobicContact CD1-CG2 4.2Å; Y390-V392 HydrophobicContact CE1-CG2 3.6Å | ||
| 393 | T | 79.8 | Confident | 83.4 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 19% | 0.19 | 23% | 0.233 | C | C | . | . | trans | -91.1 | 164.6 | 174.3 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | D325 F395 T396 S397 | D325-T393 WeakPolarHBondContact OD2-CA 3.34Å; T393-F395 PolarHBondContact O-N 2.65Å; T393-F395 PolarHBondContact OG1-N 3.23Å; T393-T396 PolarHBondContact N-OG1 3.38Å; T393-T396 PolarHBondContact O-N 2.75Å; T393-T396 PolarHBondContact O-OG1 2.72Å; T393-T396 PolarHBondContact OG1-N 2.65Å; T393-S397 PolarHBondContact O-N 3.08Å; T393-S397 PolarHBondContact O-OG 3.15Å | ||
| 394 | K | 81.2 | Confident | 84 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -29.8 | 173.1 | -158.2 | 175.1 | -177.6 | 170.8 | 0 | 113.5 | L357 R358 T396 S397 A398 D453 | L357-K394 HydrophobicContact CB-CD 3.49Å; L357-K394 VanDerWaalsContact CB-CD 3.49Å; L357-K394 HydrophobicContact CD1-CB 4.4Å; L357-K394 HydrophobicContact CD1-CD 3.97Å; L357-K394 HydrophobicContact CD2-CD 4.2Å; L357-K394 HydrophobicContact CG-CD 4.08Å; R358-K394 WeakPolarHBondContact O-CE 3.3Å; R358-K394 PolarHBondContact O-NZ 3.49Å; K394-T396 VanDerWaalsContact C-N 3.33Å; K394-S397 WeakPolarHBondContact CA-OG 3.4Å; K394-S397 PolarHBondContact O-OG 3.35Å; K394-A398 VanDerWaalsContact O-CB 3.23Å; K394-A398 WeakPolarHBondContact O-CB 3.35Å; K394-A398 PolarHBondContact O-N 3.15Å; K394-D453 PolarHBondContact NZ-O 2.97Å |
| 395 | F | 85.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 173.1 | -67.4 | -82.2 | 0 | 0 | 0 | 112.9 | F56 L58 T143 I144 N163 I322 L357 T393 F399 | F56-F395 AromaticContact CD1-CD1 3.69Å; F56-F395 HydrophobicContact CD1-CD1 3.69Å; F56-F395 HydrophobicContact CD1-CD2 4.12Å; F56-F395 AromaticContact CD1-CE1 3.45Å; F56-F395 HydrophobicContact CD1-CE1 3.45Å; F56-F395 VanDerWaalsContact CD1-CE1 3.45Å; F56-F395 AromaticContact CD1-CE2 3.88Å; F56-F395 HydrophobicContact CD1-CE2 3.88Å; F56-F395 HydrophobicContact CD1-CG 4.04Å; F56-F395 AromaticContact CD1-CZ 3.56Å; F56-F395 HydrophobicContact CD1-CZ 3.56Å; F56-F395 HydrophobicContact CE1-CD1 4.04Å; F56-F395 AromaticContact CE1-CE1 3.35Å; F56-F395 HydrophobicContact CE1-CE1 3.35Å; F56-F395 HydrophobicContact CE1-CE2 4.19Å; F56-F395 AromaticContact CE1-CZ 3.45Å; F56-F395 HydrophobicContact CE1-CZ 3.45Å; F56-F395 VanDerWaalsContact CE1-CZ 3.45Å; L58-F395 HydrophobicContact CD2-CB 4.33Å; T143-F395 WeakPolarHBondContact CB-O 3.43Å; T143-F395 WeakPolarHBondContact CG2-O 3.3Å; T143-F395 WeakPolarHBondContact O-CD1 3.15Å; T143-F395 PolarHBondContact OG1-O 3.15Å; I144-F395 HydrophobicContact CG2-CD1 3.91Å; I144-F395 HydrophobicContact CG2-CE1 4.39Å; N163-F395 HydrophobicContact CB-CE1 4.41Å; N163-F395 WeakPolarHBondContact ND2-CD1 3.05Å; I322-F395 HydrophobicContact CG2-CZ 4.14Å; I322-F395 VanDerWaalsContact O-CE2 3.27Å; I322-F395 WeakPolarHBondContact O-CE2 3.4Å; L357-F395 HydrophobicContact CD1-CE2 4.14Å; L357-F395 HydrophobicContact CD1-CZ 4.11Å; T393-F395 PolarHBondContact O-N 2.65Å; T393-F395 PolarHBondContact OG1-N 3.23Å; F395-F399 WeakPolarHBondContact O-CD2 3.42Å |
| 396 | T | 87.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.3 | -46.4 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | L58 V62 V66 T393 K394 A398 F399 | L58-T396 HydrophobicContact CD2-CG2 3.95Å; V62-T396 HydrophobicContact CG1-CG2 3.37Å; V66-T396 WeakPolarHBondContact CG1-O 3.4Å; T393-T396 PolarHBondContact N-OG1 3.38Å; T393-T396 PolarHBondContact O-N 2.75Å; T393-T396 PolarHBondContact O-OG1 2.72Å; T393-T396 PolarHBondContact OG1-N 2.65Å; K394-T396 VanDerWaalsContact C-N 3.33Å; T396-A398 VanDerWaalsContact C-N 3.26Å; T396-A398 PolarHBondContact O-N 3.15Å; T396-F399 WeakPolarHBondContact O-CB 3.49Å; T396-F399 PolarHBondContact O-N 3.04Å |
| 397 | S | 88.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -29 | 178.9 | 58.7 | 0 | 0 | 0 | 0 | 113 | Y365 T393 K394 F399 Y400 D401 | Y365-S397 PolarHBondContact OH-OG 3.31Å; T393-S397 PolarHBondContact O-N 3.08Å; T393-S397 PolarHBondContact O-OG 3.15Å; K394-S397 WeakPolarHBondContact CA-OG 3.4Å; K394-S397 PolarHBondContact O-OG 3.35Å; S397-F399 PolarHBondContact O-N 3.23Å; S397-Y400 VanDerWaalsContact O-CB 3.31Å; S397-Y400 WeakPolarHBondContact O-CB 3.41Å; S397-Y400 PolarHBondContact O-N 3.41Å; S397-D401 PolarHBondContact O-N 2.84Å |
| 398 | A | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -22.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | T143 M162 K394 T396 G402 | T143-A398 HydrophobicContact CG2-CB 3.58Å; M162-A398 HydrophobicContact CB-CB 4.07Å; K394-A398 VanDerWaalsContact O-CB 3.23Å; K394-A398 WeakPolarHBondContact O-CB 3.35Å; K394-A398 PolarHBondContact O-N 3.15Å; T396-A398 VanDerWaalsContact C-N 3.26Å; T396-A398 PolarHBondContact O-N 3.15Å; A398-G402 PolarHBondContact O-N 3Å |
| 399 | F | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 171.6 | -80.7 | -73.6 | 0 | 0 | 0 | 111.8 | M44 L58 V63 V66 I67 F116 T143 F395 T396 S397 G402 I403 | M44-F399 HydrophobicContact CE-CE1 3.81Å; M44-F399 HydrophobicContact CE-CE2 3.94Å; M44-F399 HydrophobicContact CE-CZ 3.19Å; L58-F399 HydrophobicContact CD1-CE2 4.11Å; L58-F399 HydrophobicContact CD2-CE2 4.38Å; V63-F399 HydrophobicContact CG1-CD1 4.18Å; V63-F399 HydrophobicContact CG1-CD2 3.86Å; V63-F399 HydrophobicContact CG1-CE1 4.34Å; V63-F399 HydrophobicContact CG1-CE2 4.01Å; V63-F399 HydrophobicContact CG1-CG 3.98Å; V63-F399 HydrophobicContact CG1-CZ 4.29Å; V63-F399 HydrophobicContact CG2-CD2 4.17Å; V63-F399 HydrophobicContact CG2-CE2 3.87Å; V66-F399 HydrophobicContact CG1-CB 4.28Å; I67-F399 HydrophobicContact CD1-CD1 4.37Å; I67-F399 HydrophobicContact CG1-CB 4.32Å; F116-F399 HydrophobicContact CD1-CD1 4.2Å; T143-F399 HydrophobicContact CG2-CB 4.34Å; T143-F399 HydrophobicContact CG2-CD1 3.81Å; T143-F399 HydrophobicContact CG2-CD2 3.55Å; T143-F399 HydrophobicContact CG2-CE1 3.83Å; T143-F399 HydrophobicContact CG2-CE2 3.59Å; T143-F399 HydrophobicContact CG2-CG 3.64Å; T143-F399 HydrophobicContact CG2-CZ 3.67Å; T143-F399 WeakPolarHBondContact OG1-CE2 3.36Å; T143-F399 WeakPolarHBondContact OG1-CZ 3.26Å; F395-F399 WeakPolarHBondContact O-CD2 3.42Å; T396-F399 WeakPolarHBondContact O-CB 3.49Å; T396-F399 PolarHBondContact O-N 3.04Å; S397-F399 PolarHBondContact O-N 3.23Å; F399-G402 PolarHBondContact O-N 3.3Å; F399-I403 WeakPolarHBondContact O-CG1 3.44Å; F399-I403 PolarHBondContact O-N 3.27Å |
| 400 | Y | 94.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 12.6 Ų | 12.6 | 2% | 0.024 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 175.1 | -178.2 | -79.1 | 0 | 0 | 0 | 110.1 | L69 A70 D73 K77 F368 S397 G402 I403 L404 I438 | L69-Y400 HydrophobicContact CG-CE2 4.44Å; A70-Y400 HydrophobicContact CB-CD2 3.47Å; A70-Y400 VanDerWaalsContact CB-CD2 3.47Å; A70-Y400 HydrophobicContact CB-CE2 3.97Å; A70-Y400 HydrophobicContact CB-CG 3.95Å; D73-Y400 HydrophobicContact CB-CE2 4.35Å; D73-Y400 WeakPolarHBondContact CB-OH 3.39Å; D73-Y400 WeakPolarHBondContact OD2-CE2 3.46Å; D73-Y400 PolarHBondContact OD2-OH 3.33Å; K77-Y400 PolarHBondContact NZ-OH 2.69Å; F368-Y400 HydrophobicContact CD2-CD2 4.16Å; F368-Y400 HydrophobicContact CD2-CE2 4.4Å; F368-Y400 AromaticContact CE2-CD2 3.63Å; F368-Y400 HydrophobicContact CE2-CD2 3.63Å; F368-Y400 HydrophobicContact CE2-CE2 4.31Å; F368-Y400 HydrophobicContact CE2-CG 4Å; S397-Y400 VanDerWaalsContact O-CB 3.31Å; S397-Y400 WeakPolarHBondContact O-CB 3.41Å; S397-Y400 PolarHBondContact O-N 3.41Å; Y400-G402 VanDerWaalsContact C-N 3.26Å; Y400-G402 PolarHBondContact O-N 3.34Å; Y400-I403 PolarHBondContact O-N 3.42Å; Y400-L404 HydrophobicContact CE1-CD2 4.47Å; Y400-L404 WeakPolarHBondContact O-CB 3.25Å; Y400-L404 PolarHBondContact O-N 3.45Å; Y400-I438 HydrophobicContact CD1-CB 3.76Å; Y400-I438 HydrophobicContact CD1-CG2 3.91Å; Y400-I438 HydrophobicContact CE1-CB 3.98Å; Y400-I438 HydrophobicContact CG-CB 4.45Å; Y400-I438 HydrophobicContact CG-CG2 4.31Å |
| 401 | D | 94 | Very high | 90.3 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 176.2 | -69.9 | -16.4 | 0 | 0 | 0 | 111.7 | M162 S397 L404 L405 F435 G437 I438 R450 | M162-D401 HydrophobicContact CE-CB 3.86Å; S397-D401 PolarHBondContact O-N 2.84Å; D401-L404 PolarHBondContact O-N 3Å; D401-L405 WeakPolarHBondContact O-CB 3.29Å; D401-L405 PolarHBondContact O-N 2.86Å; D401-F435 HydrophobicContact CB-CE2 4.38Å; D401-F435 HydrophobicContact CB-CZ 4.14Å; D401-F435 WeakPolarHBondContact O-CZ 3.19Å; D401-G437 WeakPolarHBondContact OD1-CA 3.4Å; D401-I438 PolarHBondContact OD1-N 3.25Å; D401-R450 IonicContact OD2-NH1 3.77Å; D401-R450 PolarHBondContact OD2-NH1 3.41Å |
| 402 | G | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.8 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A398 F399 Y400 Y406 | A398-G402 PolarHBondContact O-N 3Å; F399-G402 PolarHBondContact O-N 3.3Å; Y400-G402 VanDerWaalsContact C-N 3.26Å; Y400-G402 PolarHBondContact O-N 3.34Å; G402-Y406 WeakPolarHBondContact O-CB 3.29Å; G402-Y406 PolarHBondContact O-N 3.43Å |
| 403 | I | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.1 | -70.3 | -76.3 | 0 | 0 | 0 | 110.4 | I67 A70 I71 V74 F116 F399 Y400 Y406 A407 | I67-I403 HydrophobicContact CG2-CD1 4.07Å; I67-I403 HydrophobicContact CG2-CG1 4.33Å; A70-I403 HydrophobicContact CB-CB 3.76Å; A70-I403 HydrophobicContact CB-CG1 4.25Å; A70-I403 HydrophobicContact CB-CG2 3.66Å; I71-I403 HydrophobicContact CG1-CG2 4.04Å; V74-I403 HydrophobicContact CG2-CG2 4.32Å; F116-I403 HydrophobicContact CD1-CD1 4.15Å; F116-I403 HydrophobicContact CD1-CG1 4.41Å; F116-I403 HydrophobicContact CD2-CD1 4.21Å; F116-I403 HydrophobicContact CE1-CD1 3.6Å; F116-I403 HydrophobicContact CE1-CG1 3.79Å; F116-I403 HydrophobicContact CE2-CD1 3.66Å; F116-I403 HydrophobicContact CG-CD1 4.42Å; F116-I403 HydrophobicContact CZ-CD1 3.32Å; F116-I403 HydrophobicContact CZ-CG1 3.95Å; F399-I403 WeakPolarHBondContact O-CG1 3.44Å; F399-I403 PolarHBondContact O-N 3.27Å; Y400-I403 PolarHBondContact O-N 3.42Å; I403-Y406 PolarHBondContact O-N 3.42Å; I403-A407 VanDerWaalsContact O-CB 3.31Å; I403-A407 WeakPolarHBondContact O-CB 3.46Å; I403-A407 PolarHBondContact O-N 2.93Å |
| 404 | L | 94.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 7% | 0.068 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 177.2 | -177.8 | 61.3 | 0 | 0 | 0 | 111.6 | V74 I79 Y400 D401 A407 I408 F435 | V74-L404 HydrophobicContact CG2-CD1 4.12Å; I79-L404 HydrophobicContact CD1-CD1 3.34Å; Y400-L404 HydrophobicContact CE1-CD2 4.47Å; Y400-L404 WeakPolarHBondContact O-CB 3.25Å; Y400-L404 PolarHBondContact O-N 3.45Å; D401-L404 PolarHBondContact O-N 3Å; L404-A407 PolarHBondContact O-N 3.22Å; L404-I408 HydrophobicContact CD1-CD1 4.3Å; L404-I408 HydrophobicContact CG-CD1 4.12Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.28Å; L404-I408 PolarHBondContact O-N 3.03Å; L404-F435 HydrophobicContact CB-CE2 4.48Å; L404-F435 HydrophobicContact CD2-CD2 4.16Å; L404-F435 HydrophobicContact CD2-CE2 4.09Å; L404-F435 HydrophobicContact CG-CD2 4.44Å; L404-F435 HydrophobicContact CG-CE2 4.33Å |
| 405 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.3 | 176.6 | 61.3 | 0 | 0 | 0 | 111.9 | T160 M162 D401 A407 I408 A409 M430 F435 I444 | T160-L405 HydrophobicContact CG2-CD2 4.37Å; M162-L405 HydrophobicContact CE-CD2 4.25Å; M162-L405 HydrophobicContact SD-CD2 3.89Å; D401-L405 WeakPolarHBondContact O-CB 3.29Å; D401-L405 PolarHBondContact O-N 2.86Å; L405-A407 VanDerWaalsContact C-N 3.31Å; L405-A407 PolarHBondContact O-N 2.94Å; L405-I408 PolarHBondContact O-N 3.4Å; L405-A409 WeakPolarHBondContact O-CB 3.37Å; L405-A409 PolarHBondContact O-N 3.08Å; L405-M430 HydrophobicContact CD1-CB 4.3Å; L405-M430 HydrophobicContact CD1-CG 4.37Å; L405-M430 HydrophobicContact CD2-CB 4.12Å; L405-M430 HydrophobicContact CD2-CG 4.36Å; L405-M430 HydrophobicContact CD2-SD 4.39Å; L405-M430 HydrophobicContact CG-CB 4.1Å; L405-M430 HydrophobicContact CG-CG 3.94Å; L405-M430 HydrophobicContact CG-SD 4.2Å; L405-F435 HydrophobicContact CB-CE1 3.85Å; L405-F435 HydrophobicContact CB-CE2 4.39Å; L405-F435 HydrophobicContact CB-CZ 3.76Å; L405-F435 HydrophobicContact CD1-CD1 3.86Å; L405-F435 HydrophobicContact CD1-CE1 3.77Å; L405-F435 HydrophobicContact CD2-CE1 4.1Å; L405-F435 HydrophobicContact CG-CE1 4.11Å; L405-I444 HydrophobicContact CD2-CD1 4.24Å; L405-I444 HydrophobicContact CD2-CG1 3.76Å |
| 406 | Y | 95.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 177.5 | -177.7 | -106.8 | 0 | 0 | 0 | 111.3 | I38 F85 V114 F116 P139 I141 G402 I403 A409 L410 V426 M430 | I38-Y406 HydrophobicContact CG2-CE1 4.26Å; F85-Y406 HydrophobicContact CE1-CD1 4.07Å; F85-Y406 AromaticContact CE1-CE1 3.89Å; F85-Y406 HydrophobicContact CE1-CE1 3.89Å; V114-Y406 HydrophobicContact CB-CE1 4.35Å; V114-Y406 HydrophobicContact CB-CE2 3.99Å; V114-Y406 HydrophobicContact CG1-CE1 3.88Å; V114-Y406 HydrophobicContact CG1-CE2 4.41Å; V114-Y406 HydrophobicContact CG2-CD2 4.15Å; V114-Y406 HydrophobicContact CG2-CE1 4.48Å; V114-Y406 HydrophobicContact CG2-CE2 3.76Å; F116-Y406 HydrophobicContact CZ-CG 4.4Å; P139-Y406 HydrophobicContact CB-CE2 4.4Å; P139-Y406 HydrophobicContact CG-CE2 4.19Å; I141-Y406 HydrophobicContact CD1-CD2 3.75Å; I141-Y406 HydrophobicContact CD1-CG 4.01Å; G402-Y406 WeakPolarHBondContact O-CB 3.29Å; G402-Y406 PolarHBondContact O-N 3.43Å; I403-Y406 PolarHBondContact O-N 3.42Å; Y406-A409 PolarHBondContact O-N 2.92Å; Y406-L410 HydrophobicContact CE1-CD2 4.05Å; Y406-L410 WeakPolarHBondContact O-CB 3.4Å; Y406-L410 PolarHBondContact O-N 3.31Å; Y406-V426 HydrophobicContact CD2-CG1 3.78Å; Y406-V426 HydrophobicContact CE2-CG1 3.54Å; Y406-M430 HydrophobicContact CD2-CE 4.45Å; Y406-M430 HydrophobicContact CD2-SD 4.09Å |
| 407 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V74 I79 I80 I403 L404 L405 L410 N411 | V74-A407 HydrophobicContact CB-CB 4.33Å; V74-A407 HydrophobicContact CG1-CB 3.51Å; V74-A407 HydrophobicContact CG2-CB 3.77Å; I79-A407 HydrophobicContact CG2-CB 4.17Å; I80-A407 HydrophobicContact CD1-CB 3.6Å; I80-A407 WeakPolarHBondContact CD1-O 3.44Å; I80-A407 HydrophobicContact CG1-CB 4.35Å; I80-A407 WeakPolarHBondContact CG1-O 3.46Å; I403-A407 VanDerWaalsContact O-CB 3.31Å; I403-A407 WeakPolarHBondContact O-CB 3.46Å; I403-A407 PolarHBondContact O-N 2.93Å; L404-A407 PolarHBondContact O-N 3.22Å; L405-A407 VanDerWaalsContact C-N 3.31Å; L405-A407 PolarHBondContact O-N 2.94Å; A407-L410 PolarHBondContact O-N 3.39Å; A407-N411 WeakPolarHBondContact O-CB 3.42Å; A407-N411 PolarHBondContact O-N 3.34Å |
| 408 | I | 94.1 | Very high | 92.9 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 176.1 | -66.4 | 164 | 0 | 0 | 0 | 110.2 | I79 L404 L405 L410 N411 E412 F435 | I79-I408 HydrophobicContact CG2-CG1 4Å; L404-I408 HydrophobicContact CD1-CD1 4.3Å; L404-I408 HydrophobicContact CG-CD1 4.12Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.28Å; L404-I408 PolarHBondContact O-N 3.03Å; L405-I408 PolarHBondContact O-N 3.4Å; I408-L410 VanDerWaalsContact C-N 3.33Å; I408-L410 PolarHBondContact O-N 2.94Å; I408-N411 PolarHBondContact O-N 2.99Å; I408-E412 WeakPolarHBondContact O-CG 3.36Å; I408-E412 PolarHBondContact O-N 3.45Å; I408-E412 VanDerWaalsContact O-N 3.13Å; I408-F435 HydrophobicContact CD1-CB 4.48Å; I408-F435 HydrophobicContact CD1-CD2 4.5Å |
| 409 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L405 Y406 T413 V426 R429 M430 | L405-A409 WeakPolarHBondContact O-CB 3.37Å; L405-A409 PolarHBondContact O-N 3.08Å; Y406-A409 PolarHBondContact O-N 2.92Å; A409-T413 WeakPolarHBondContact O-CB 3.31Å; A409-T413 PolarHBondContact O-N 2.85Å; A409-T413 PolarHBondContact O-OG1 2.86Å; A409-V426 HydrophobicContact CB-CG1 4.01Å; A409-R429 HydrophobicContact CB-CB 3.93Å; A409-M430 HydrophobicContact CB-CG 3.48Å; A409-M430 VanDerWaalsContact CB-CG 3.48Å |
| 410 | L | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 176.9 | -178.9 | 64.3 | 0 | 0 | 0 | 111.4 | I38 I80 I83 F85 Y406 A407 I408 E412 T413 V414 P420 V426 | I38-L410 HydrophobicContact CG1-CD2 4.07Å; I80-L410 HydrophobicContact CD1-CB 4.29Å; I80-L410 HydrophobicContact CD1-CD2 3.89Å; I80-L410 HydrophobicContact CD1-CG 4.37Å; I83-L410 HydrophobicContact CD1-CD2 4.35Å; I83-L410 HydrophobicContact CD1-CG 4.46Å; F85-L410 HydrophobicContact CE1-CD2 4.11Å; F85-L410 HydrophobicContact CZ-CD2 4.15Å; Y406-L410 HydrophobicContact CE1-CD2 4.05Å; Y406-L410 WeakPolarHBondContact O-CB 3.4Å; Y406-L410 PolarHBondContact O-N 3.31Å; A407-L410 PolarHBondContact O-N 3.39Å; I408-L410 VanDerWaalsContact C-N 3.33Å; I408-L410 PolarHBondContact O-N 2.94Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.34Å; L410-T413 WeakPolarHBondContact O-CB 3.48Å; L410-T413 PolarHBondContact O-N 3.25Å; L410-V414 WeakPolarHBondContact O-CG2 3.41Å; L410-V414 PolarHBondContact O-N 2.88Å; L410-P420 HydrophobicContact CD1-CB 3.72Å; L410-P420 WeakPolarHBondContact CD1-O 3.42Å; L410-V426 HydrophobicContact CD1-CG2 4.1Å |
| 411 | N | 92.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 176.9 | -173 | 33.4 | 0 | 0 | 0 | 111.4 | I79 I80 A407 I408 T413 V414 A415 | I79-N411 WeakPolarHBondContact O-CB 3.39Å; I79-N411 PolarHBondContact O-ND2 3.02Å; I80-N411 HydrophobicContact CG1-CB 3.98Å; A407-N411 WeakPolarHBondContact O-CB 3.42Å; A407-N411 PolarHBondContact O-N 3.34Å; I408-N411 PolarHBondContact O-N 2.99Å; N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 3.12Å; N411-V414 PolarHBondContact O-N 2.77Å; N411-A415 VanDerWaalsContact O-CB 3.31Å; N411-A415 WeakPolarHBondContact O-CB 3.17Å; N411-A415 PolarHBondContact O-N 3.02Å |
| 412 | E | 92.9 | Very high | 91.9 | Very high | 60 Ų | 60 | 33.2 Ų | 33.2 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65 | -34.1 | 177.2 | -70.6 | 172.1 | -179.3 | 0 | 0 | 113.2 | I408 L410 S416 R433 | I408-E412 WeakPolarHBondContact O-CG 3.36Å; I408-E412 PolarHBondContact O-N 3.45Å; I408-E412 VanDerWaalsContact O-N 3.13Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.34Å; E412-S416 VanDerWaalsContact O-CB 3.31Å; E412-S416 WeakPolarHBondContact O-CB 3.28Å; E412-S416 PolarHBondContact O-N 3.21Å; E412-S416 PolarHBondContact O-OG 3.11Å; E412-R433 VanDerWaalsContact CD-NH1 3.32Å; E412-R433 IonicContact OE1-CZ 3.61Å; E412-R433 VanDerWaalsContact OE1-CZ 3.27Å; E412-R433 IonicContact OE1-NH1 2.68Å; E412-R433 PolarHBondContact OE1-NH1 2.7Å; E412-R433 IonicContact OE1-NH2 3.39Å; E412-R433 PolarHBondContact OE1-NH2 3.02Å; E412-R433 IonicContact OE2-CZ 2.71Å; E412-R433 IonicContact OE2-NH1 2.88Å; E412-R433 PolarHBondContact OE2-NH1 3.33Å; E412-R433 IonicContact OE2-NH2 3.89Å; E412-R433 PolarHBondContact OE2-NH2 3.41Å |
| 413 | T | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 176 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | A409 L410 N411 S416 G417 F418 E425 V426 R429 | A409-T413 WeakPolarHBondContact O-CB 3.31Å; A409-T413 PolarHBondContact O-N 2.85Å; A409-T413 PolarHBondContact O-OG1 2.86Å; L410-T413 WeakPolarHBondContact O-CB 3.48Å; L410-T413 PolarHBondContact O-N 3.25Å; N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 3.12Å; T413-S416 PolarHBondContact O-N 2.83Å; T413-G417 PolarHBondContact O-N 3.44Å; T413-F418 HydrophobicContact CG2-CB 3.61Å; T413-F418 PolarHBondContact O-N 3.3Å; T413-F418 VanDerWaalsContact O-N 3.1Å; T413-E425 HydrophobicContact CG2-CB 4.12Å; T413-V426 HydrophobicContact CG2-CG2 3.93Å; T413-R429 WeakPolarHBondContact OG1-CD 3.36Å |
| 414 | V | 89.9 | Confident | 91.7 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.8 | -43 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | I83 L410 N411 S416 G417 P420 | I83-V414 HydrophobicContact CD1-CG2 4.03Å; L410-V414 WeakPolarHBondContact O-CG2 3.41Å; L410-V414 PolarHBondContact O-N 2.88Å; N411-V414 PolarHBondContact O-N 2.77Å; V414-S416 PolarHBondContact O-N 3.34Å; V414-G417 PolarHBondContact O-N 3.46Å; V414-P420 HydrophobicContact CG2-CB 3.81Å |
| 415 | A | 89.7 | Confident | 91.7 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.7 | -28.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N411 G417 | N411-A415 VanDerWaalsContact O-CB 3.31Å; N411-A415 WeakPolarHBondContact O-CB 3.17Å; N411-A415 PolarHBondContact O-N 3.02Å; A415-G417 VanDerWaalsContact C-N 3.25Å; A415-G417 PolarHBondContact O-N 2.98Å |
| 416 | S | 91.4 | Very high | 91.6 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.5 | 174.1 | -57.5 | 0 | 0 | 0 | 0 | 113.7 | E412 T413 V414 R429 | E412-S416 VanDerWaalsContact O-CB 3.31Å; E412-S416 WeakPolarHBondContact O-CB 3.28Å; E412-S416 PolarHBondContact O-N 3.21Å; E412-S416 PolarHBondContact O-OG 3.11Å; T413-S416 PolarHBondContact O-N 2.83Å; V414-S416 PolarHBondContact O-N 3.34Å; S416-R429 PolarHBondContact OG-NH2 2.95Å; S416-R429 VanDerWaalsContact OG-NH2 3.16Å |
| 417 | G | 88 | Confident | 91.6 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 72% | 0.722 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T413 V414 A415 | T413-G417 PolarHBondContact O-N 3.44Å; V414-G417 PolarHBondContact O-N 3.46Å; A415-G417 VanDerWaalsContact C-N 3.25Å; A415-G417 PolarHBondContact O-N 2.98Å |
| 418 | F | 88.7 | Confident | 91.7 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | trans | -84.1 | 154.8 | 174.8 | -66.4 | -80.9 | 0 | 0 | 0 | 111.4 | T413 E425 | T413-F418 HydrophobicContact CG2-CB 3.61Å; T413-F418 PolarHBondContact O-N 3.3Å; T413-F418 VanDerWaalsContact O-N 3.1Å; F418-E425 HydrophobicContact CD1-CG 4Å; F418-E425 HydrophobicContact CE1-CG 4.16Å; F418-E425 HydrophobicContact CG-CG 4.2Å | ||
| 419 | S | 87.4 | Confident | 91.7 | Very high | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | trans | -60.9 | 138 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | R421 N422 | S419-R421 PolarHBondContact O-N 2.81Å; S419-R421 PolarHBondContact OG-N 3.31Å; S419-N422 WeakPolarHBondContact O-CB 3.32Å; S419-N422 PolarHBondContact O-N 2.96Å | ||
| 420 | P | 86 | Confident | 91.8 | Very high | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.104 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.9 | 174.3 | 28.9 | -36.8 | 0 | 0 | 0 | 113.1 | I38 L410 V414 | I38-P420 HydrophobicContact CD1-CB 3.86Å; I38-P420 HydrophobicContact CD1-CG 4.41Å; L410-P420 HydrophobicContact CD1-CB 3.72Å; L410-P420 WeakPolarHBondContact CD1-O 3.42Å; V414-P420 HydrophobicContact CG2-CB 3.81Å |
| 421 | R | 87.8 | Confident | 91.9 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3 | 175.2 | -60.1 | -176.9 | -179.6 | -118.7 | 2.7 | 113.6 | D113 S419 G423 | D113-R421 WeakPolarHBondContact OD1-CD 2.98Å; D113-R421 WeakPolarHBondContact OD1-CG 3.16Å; D113-R421 IonicContact OD1-CZ 3.94Å; D113-R421 IonicContact OD1-NE 2.83Å; D113-R421 IonicContact OD1-NH1 2.63Å; D113-R421 PolarHBondContact OD1-NH1 2.77Å; D113-R421 IonicContact OD2-CZ 3.84Å; D113-R421 IonicContact OD2-NH1 4Å; D113-R421 IonicContact OD2-NH2 2.76Å; S419-R421 PolarHBondContact O-N 2.81Å; S419-R421 PolarHBondContact OG-N 3.31Å; R421-G423 PolarHBondContact O-N 3.22Å; R421-G423 VanDerWaalsContact O-N 3.09Å |
| 422 | N | 90.4 | Very high | 92 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | trans | -80.7 | 85 | 175.2 | -170.2 | -26.3 | 0 | 0 | 0 | 110.2 | Q136 S419 V424 E425 V426 | Q136-N422 HydrophobicContact CB-CB 4.45Å; Q136-N422 PolarHBondContact OE1-ND2 3.46Å; S419-N422 WeakPolarHBondContact O-CB 3.32Å; S419-N422 PolarHBondContact O-N 2.96Å; N422-V424 VanDerWaalsContact C-N 3.26Å; N422-V424 PolarHBondContact O-N 3.47Å; N422-V424 PolarHBondContact OD1-N 3.35Å; N422-E425 HydrophobicContact CB-CB 4.26Å; N422-E425 WeakPolarHBondContact ND2-CG 3.28Å; N422-E425 PolarHBondContact O-N 2.97Å; N422-E425 PolarHBondContact OD1-N 2.73Å; N422-V426 WeakPolarHBondContact O-CG2 3.49Å; N422-V426 PolarHBondContact O-N 2.94Å; N422-V426 VanDerWaalsContact O-N 3.11Å | ||
| 423 | G | 92.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -31 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q136 G137 P139 R421 T427 | Q136-G423 PolarHBondContact O-N 3.09Å; G137-G423 VanDerWaalsContact O-CA 3.29Å; G137-G423 WeakPolarHBondContact O-CA 3.42Å; G137-G423 PolarHBondContact O-N 2.91Å; P139-G423 VanDerWaalsContact CG-CA 3.5Å; R421-G423 PolarHBondContact O-N 3.22Å; R421-G423 VanDerWaalsContact O-N 3.09Å; G423-T427 VanDerWaalsContact O-CB 3.28Å; G423-T427 WeakPolarHBondContact O-CB 3.4Å; G423-T427 PolarHBondContact O-N 3.08Å; G423-T427 PolarHBondContact O-OG1 3.2Å |
| 424 | V | 93.5 | Very high | 92.2 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | Q136 L158 N422 T427 K428 | Q136-V424 VanDerWaalsContact O-CG2 3.3Å; Q136-V424 WeakPolarHBondContact O-CG2 3.28Å; Q136-V424 PolarHBondContact O-N 2.92Å; L158-V424 HydrophobicContact CD1-CG2 4.42Å; L158-V424 HydrophobicContact CD2-CG2 4.07Å; N422-V424 VanDerWaalsContact C-N 3.26Å; N422-V424 PolarHBondContact O-N 3.47Å; N422-V424 PolarHBondContact OD1-N 3.35Å; V424-T427 PolarHBondContact O-N 3.44Å; V424-K428 HydrophobicContact CG1-CD 4.41Å; V424-K428 WeakPolarHBondContact O-CG 3.5Å; V424-K428 PolarHBondContact O-N 2.76Å |
| 425 | E | 94 | Very high | 92.3 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.9 | -36 | -179 | -75.1 | -55.6 | 128.8 | 0 | 0 | 113.1 | T413 F418 N422 K428 R429 | T413-E425 HydrophobicContact CG2-CB 4.12Å; F418-E425 HydrophobicContact CD1-CG 4Å; F418-E425 HydrophobicContact CE1-CG 4.16Å; F418-E425 HydrophobicContact CG-CG 4.2Å; N422-E425 HydrophobicContact CB-CB 4.26Å; N422-E425 WeakPolarHBondContact ND2-CG 3.28Å; N422-E425 PolarHBondContact O-N 2.97Å; N422-E425 PolarHBondContact OD1-N 2.73Å; E425-K428 IonicContact OE1-NZ 2.93Å; E425-K428 PolarHBondContact OE1-NZ 2.92Å; E425-R429 PolarHBondContact O-N 3.41Å; E425-R429 PolarHBondContact O-NH1 3.13Å; E425-R429 IonicContact OE2-CZ 2.61Å; E425-R429 IonicContact OE2-NH1 2.63Å; E425-R429 PolarHBondContact OE2-NH1 2.74Å; E425-R429 IonicContact OE2-NH2 3.03Å |
| 426 | V | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 172.1 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | Y406 A409 L410 T413 N422 K428 R429 M430 | Y406-V426 HydrophobicContact CD2-CG1 3.78Å; Y406-V426 HydrophobicContact CE2-CG1 3.54Å; A409-V426 HydrophobicContact CB-CG1 4.01Å; L410-V426 HydrophobicContact CD1-CG2 4.1Å; T413-V426 HydrophobicContact CG2-CG2 3.93Å; N422-V426 WeakPolarHBondContact O-CG2 3.49Å; N422-V426 PolarHBondContact O-N 2.94Å; N422-V426 VanDerWaalsContact O-N 3.11Å; V426-K428 PolarHBondContact O-N 2.84Å; V426-R429 PolarHBondContact O-N 3.27Å; V426-M430 HydrophobicContact CG1-CE 4.5Å; V426-M430 WeakPolarHBondContact O-CG 3.44Å; V426-M430 PolarHBondContact O-N 3.4Å; V426-M430 VanDerWaalsContact O-N 3.16Å |
| 427 | T | 95.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | -177.9 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | L158 G423 V424 R429 M430 W431 | L158-T427 HydrophobicContact CD2-CG2 4.16Å; G423-T427 VanDerWaalsContact O-CB 3.28Å; G423-T427 WeakPolarHBondContact O-CB 3.4Å; G423-T427 PolarHBondContact O-N 3.08Å; G423-T427 PolarHBondContact O-OG1 3.2Å; V424-T427 PolarHBondContact O-N 3.44Å; T427-R429 PolarHBondContact O-N 2.97Å; T427-M430 HydrophobicContact CG2-CE 4.19Å; T427-M430 WeakPolarHBondContact O-CB 3.44Å; T427-M430 PolarHBondContact O-N 2.89Å; T427-W431 HydrophobicContact CG2-CD2 4.25Å; T427-W431 HydrophobicContact CG2-CG 4.5Å; T427-W431 HydrophobicContact CG2-CZ2 3.9Å; T427-W431 PolarHBondContact O-N 3.44Å |
| 428 | K | 94.6 | Very high | 92.2 | Very high | 127 Ų | 127 | 46.2 Ų | 46.2 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -55.9 | -37.1 | 174.7 | -76.1 | 175.6 | -174.3 | 170.4 | 0 | 112.9 | V424 E425 V426 M430 | V424-K428 HydrophobicContact CG1-CD 4.41Å; V424-K428 WeakPolarHBondContact O-CG 3.5Å; V424-K428 PolarHBondContact O-N 2.76Å; E425-K428 IonicContact OE1-NZ 2.93Å; E425-K428 PolarHBondContact OE1-NZ 2.92Å; V426-K428 PolarHBondContact O-N 2.84Å; K428-M430 VanDerWaalsContact C-N 3.35Å |
| 429 | R | 95.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.4 | -16 | 177.9 | -70.7 | 172.2 | 178.9 | 70.7 | -0.7 | 113.6 | A409 T413 S416 E425 V426 T427 R433 | A409-R429 HydrophobicContact CB-CB 3.93Å; T413-R429 WeakPolarHBondContact OG1-CD 3.36Å; S416-R429 PolarHBondContact OG-NH2 2.95Å; S416-R429 VanDerWaalsContact OG-NH2 3.16Å; E425-R429 PolarHBondContact O-N 3.41Å; E425-R429 PolarHBondContact O-NH1 3.13Å; E425-R429 IonicContact OE2-CZ 2.61Å; E425-R429 IonicContact OE2-NH1 2.63Å; E425-R429 PolarHBondContact OE2-NH1 2.74Å; E425-R429 IonicContact OE2-NH2 3.03Å; V426-R429 PolarHBondContact O-N 3.27Å; T427-R429 PolarHBondContact O-N 2.97Å; R429-R433 PolarHBondContact O-NH1 3.46Å |
| 430 | M | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.6 | -33.5 | 171.1 | -68.2 | -166.7 | -71.8 | 0 | 0 | 112.1 | P139 I141 L405 Y406 A409 V426 T427 K428 | P139-M430 HydrophobicContact CB-CE 4.03Å; I141-M430 HydrophobicContact CD1-CE 4.22Å; I141-M430 HydrophobicContact CD1-SD 3.94Å; I141-M430 HydrophobicContact CG1-CE 4.28Å; I141-M430 HydrophobicContact CG1-SD 4.38Å; L405-M430 HydrophobicContact CD1-CB 4.3Å; L405-M430 HydrophobicContact CD1-CG 4.37Å; L405-M430 HydrophobicContact CD2-CB 4.12Å; L405-M430 HydrophobicContact CD2-CG 4.36Å; L405-M430 HydrophobicContact CD2-SD 4.39Å; L405-M430 HydrophobicContact CG-CB 4.1Å; L405-M430 HydrophobicContact CG-CG 3.94Å; L405-M430 HydrophobicContact CG-SD 4.2Å; Y406-M430 HydrophobicContact CD2-CE 4.45Å; Y406-M430 HydrophobicContact CD2-SD 4.09Å; A409-M430 HydrophobicContact CB-CG 3.48Å; A409-M430 VanDerWaalsContact CB-CG 3.48Å; V426-M430 HydrophobicContact CG1-CE 4.5Å; V426-M430 WeakPolarHBondContact O-CG 3.44Å; V426-M430 PolarHBondContact O-N 3.4Å; V426-M430 VanDerWaalsContact O-N 3.16Å; T427-M430 HydrophobicContact CG2-CE 4.19Å; T427-M430 WeakPolarHBondContact O-CB 3.44Å; T427-M430 PolarHBondContact O-N 2.89Å; K428-M430 VanDerWaalsContact C-N 3.35Å |
| 431 | W | 95.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -84.4 | 157.2 | -173.9 | -66.3 | 10.3 | 0 | 0 | 0 | 112.3 | R153 K157 L159 T160 T427 R433 G448 | R153-W431 HydrophobicContact CG-CH2 4.32Å; R153-W431 HydrophobicContact CG-CZ3 4.49Å; K157-W431 WeakPolarHBondContact O-CH2 3.43Å; L159-W431 WeakPolarHBondContact O-CZ2 3.35Å; T160-W431 PolarHBondContact OG1-NE1 2.91Å; T427-W431 HydrophobicContact CG2-CD2 4.25Å; T427-W431 HydrophobicContact CG2-CG 4.5Å; T427-W431 HydrophobicContact CG2-CZ2 3.9Å; T427-W431 PolarHBondContact O-N 3.44Å; W431-R433 VanDerWaalsContact C-N 3.29Å; W431-R433 PolarHBondContact O-N 3.1Å; W431-G448 VanDerWaalsContact CD1-CA 3.42Å; W431-G448 VanDerWaalsContact CD2-CA 3.49Å; W431-G448 VanDerWaalsContact NE1-CA 3.27Å |
| 432 | N | 95.2 | Very high | 91.6 | Very high | 129 Ų | 129 | 45 Ų | 45 | 69% | 0.69 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 52.9 | 42.7 | -178.2 | -162.5 | 41.1 | 0 | 0 | 0 | 113.8 | I444 S445 K446 | N432-I444 CarbonylContact C-O 3.58Å; N432-I444 VanDerWaalsContact CA-O 3.23Å; N432-I444 WeakPolarHBondContact CA-O 3.5Å; N432-I444 PolarHBondContact N-O 2.89Å; N432-S445 PolarHBondContact N-O 3.2Å; N432-K446 HydrophobicContact CB-CB 4.29Å |
| 433 | R | 94.2 | Very high | 91.8 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.2 | -173.9 | 165.1 | 172.4 | -85.8 | 170.5 | -8.8 | 111.3 | E412 R429 W431 I444 | E412-R433 VanDerWaalsContact CD-NH1 3.32Å; E412-R433 IonicContact OE1-CZ 3.61Å; E412-R433 VanDerWaalsContact OE1-CZ 3.27Å; E412-R433 IonicContact OE1-NH1 2.68Å; E412-R433 PolarHBondContact OE1-NH1 2.7Å; E412-R433 IonicContact OE1-NH2 3.39Å; E412-R433 PolarHBondContact OE1-NH2 3.02Å; E412-R433 IonicContact OE2-CZ 2.71Å; E412-R433 IonicContact OE2-NH1 2.88Å; E412-R433 PolarHBondContact OE2-NH1 3.33Å; E412-R433 IonicContact OE2-NH2 3.89Å; E412-R433 PolarHBondContact OE2-NH2 3.41Å; R429-R433 PolarHBondContact O-NH1 3.46Å; W431-R433 VanDerWaalsContact C-N 3.29Å; W431-R433 PolarHBondContact O-N 3.1Å; R433-I444 PolarHBondContact N-O 3.42Å; R433-I444 VanDerWaalsContact N-O 3.11Å; R433-I444 PolarHBondContact O-N 2.86Å |
| 434 | S | 94.4 | Very high | 91.9 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.6 | 164.8 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | V442 T443 | S434-V442 CarbonylContact C-O 3.33Å; S434-V442 WeakPolarHBondContact CA-O 3.27Å; S434-T443 VanDerWaalsContact OG-CG2 3.29Å; S434-T443 WeakPolarHBondContact OG-CG2 3.38Å; S434-T443 PolarHBondContact OG-OG1 2.89Å |
| 435 | F | 93.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 166.6 | 172.6 | 70.8 | -78.8 | 0 | 0 | 0 | 110.6 | M162 D401 L404 L405 I408 V442 I444 | M162-F435 HydrophobicContact CE-CZ 4.25Å; D401-F435 HydrophobicContact CB-CE2 4.38Å; D401-F435 HydrophobicContact CB-CZ 4.14Å; D401-F435 WeakPolarHBondContact O-CZ 3.19Å; L404-F435 HydrophobicContact CB-CE2 4.48Å; L404-F435 HydrophobicContact CD2-CD2 4.16Å; L404-F435 HydrophobicContact CD2-CE2 4.09Å; L404-F435 HydrophobicContact CG-CD2 4.44Å; L404-F435 HydrophobicContact CG-CE2 4.33Å; L405-F435 HydrophobicContact CB-CE1 3.85Å; L405-F435 HydrophobicContact CB-CE2 4.39Å; L405-F435 HydrophobicContact CB-CZ 3.76Å; L405-F435 HydrophobicContact CD1-CD1 3.86Å; L405-F435 HydrophobicContact CD1-CE1 3.77Å; L405-F435 HydrophobicContact CD2-CE1 4.1Å; L405-F435 HydrophobicContact CG-CE1 4.11Å; I408-F435 HydrophobicContact CD1-CB 4.48Å; I408-F435 HydrophobicContact CD1-CD2 4.5Å; F435-V442 HydrophobicContact CD1-CB 4.03Å; F435-V442 HydrophobicContact CD1-CG1 4.31Å; F435-V442 HydrophobicContact CE1-CB 3.59Å; F435-V442 HydrophobicContact CE1-CG1 3.49Å; F435-V442 VanDerWaalsContact CE1-CG1 3.49Å; F435-V442 HydrophobicContact CE1-CG2 4.4Å; F435-V442 HydrophobicContact CE2-CB 4.28Å; F435-V442 HydrophobicContact CE2-CG2 4.3Å; F435-V442 HydrophobicContact CZ-CB 3.73Å; F435-V442 HydrophobicContact CZ-CG1 3.76Å; F435-V442 HydrophobicContact CZ-CG2 4.03Å; F435-V442 PolarHBondContact N-O 2.92Å; F435-V442 PolarHBondContact O-N 2.86Å; F435-I444 HydrophobicContact CE1-CG1 4.48Å |
| 436 | T | 90.3 | Very high | 91.9 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.2 | 176.5 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 437 | G | 88.3 | Confident | 91.7 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -171.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D401 G439 G440 | D401-G437 WeakPolarHBondContact OD1-CA 3.4Å; G437-G439 VanDerWaalsContact C-N 3.27Å; G437-G439 PolarHBondContact O-N 3.3Å; G437-G440 PolarHBondContact N-O 3.32Å; G437-G440 PolarHBondContact O-N 2.88Å |
| 438 | I | 87.7 | Confident | 91.6 | Very high | 26 Ų | 26 | 51 Ų | 51 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.1 | 176.5 | -164.7 | 60.9 | 0 | 0 | 0 | 111.7 | Y365 F368 Y400 D401 G440 | Y365-I438 HydrophobicContact CD2-CG1 4.26Å; F368-I438 HydrophobicContact CB-CD1 3.63Å; F368-I438 HydrophobicContact CB-CG1 3.7Å; F368-I438 HydrophobicContact CD1-CG1 3.79Å; F368-I438 HydrophobicContact CD2-CD1 4.4Å; F368-I438 HydrophobicContact CD2-CG1 3.99Å; F368-I438 HydrophobicContact CE1-CG1 4.39Å; F368-I438 HydrophobicContact CE1-CG2 4.37Å; F368-I438 HydrophobicContact CG-CD1 4.02Å; F368-I438 HydrophobicContact CG-CG1 3.56Å; Y400-I438 HydrophobicContact CD1-CB 3.76Å; Y400-I438 HydrophobicContact CD1-CG2 3.91Å; Y400-I438 HydrophobicContact CE1-CB 3.98Å; Y400-I438 HydrophobicContact CG-CB 4.45Å; Y400-I438 HydrophobicContact CG-CG2 4.31Å; D401-I438 PolarHBondContact OD1-N 3.25Å; I438-G440 VanDerWaalsContact C-N 3.27Å; I438-G440 PolarHBondContact O-N 2.82Å |
| 439 | G | 74.1 | Confident | 91.5 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 10.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P360 G437 | P360-G439 VanDerWaalsContact CB-CA 3.4Å; P360-G439 VanDerWaalsContact CB-O 3.3Å; P360-G439 WeakPolarHBondContact CB-O 3.35Å; G437-G439 VanDerWaalsContact C-N 3.27Å; G437-G439 PolarHBondContact O-N 3.3Å |
| 440 | G | 83.2 | Confident | 91.5 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.5 | -148.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G437 I438 V442 | G437-G440 PolarHBondContact N-O 3.32Å; G437-G440 PolarHBondContact O-N 2.88Å; I438-G440 VanDerWaalsContact C-N 3.27Å; I438-G440 PolarHBondContact O-N 2.82Å; G440-V442 PolarHBondContact O-N 2.7Å |
| 441 | K | 88.4 | Confident | 91.3 | Very high | 156 Ų | 156 | 46.7 Ų | 46.7 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118.7 | -176.7 | -171.1 | 177.8 | -179 | -179.5 | 0 | 110.5 | ||
| 442 | V | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.3 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | M162 S434 F435 G440 I444 R450 | M162-V442 HydrophobicContact CE-CG1 4.42Å; S434-V442 CarbonylContact C-O 3.33Å; S434-V442 WeakPolarHBondContact CA-O 3.27Å; F435-V442 HydrophobicContact CD1-CB 4.03Å; F435-V442 HydrophobicContact CD1-CG1 4.31Å; F435-V442 HydrophobicContact CE1-CB 3.59Å; F435-V442 HydrophobicContact CE1-CG1 3.49Å; F435-V442 VanDerWaalsContact CE1-CG1 3.49Å; F435-V442 HydrophobicContact CE1-CG2 4.4Å; F435-V442 HydrophobicContact CE2-CB 4.28Å; F435-V442 HydrophobicContact CE2-CG2 4.3Å; F435-V442 HydrophobicContact CZ-CB 3.73Å; F435-V442 HydrophobicContact CZ-CG1 3.76Å; F435-V442 HydrophobicContact CZ-CG2 4.03Å; F435-V442 PolarHBondContact N-O 2.92Å; F435-V442 PolarHBondContact O-N 2.86Å; G440-V442 PolarHBondContact O-N 2.7Å; V442-I444 HydrophobicContact CG1-CD1 4.02Å; V442-R450 HydrophobicContact CG1-CG 4.09Å |
| 443 | T | 93.9 | Very high | 90.6 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 15% | 0.153 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.5 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | S434 R450 F451 | S434-T443 VanDerWaalsContact OG-CG2 3.29Å; S434-T443 WeakPolarHBondContact OG-CG2 3.38Å; S434-T443 PolarHBondContact OG-OG1 2.89Å; T443-R450 WeakPolarHBondContact O-CA 3.31Å; T443-F451 HydrophobicContact CG2-CD2 3.84Å; T443-F451 HydrophobicContact CG2-CE2 4.26Å; T443-F451 PolarHBondContact O-N 3.18Å |
| 444 | I | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.3 | 175.5 | -53 | -56.6 | 0 | 0 | 0 | 108.1 | M162 L405 N432 R433 F435 V442 R450 | M162-I444 HydrophobicContact CE-CD1 4.27Å; M162-I444 HydrophobicContact SD-CD1 4.2Å; L405-I444 HydrophobicContact CD2-CD1 4.24Å; L405-I444 HydrophobicContact CD2-CG1 3.76Å; N432-I444 CarbonylContact C-O 3.58Å; N432-I444 VanDerWaalsContact CA-O 3.23Å; N432-I444 WeakPolarHBondContact CA-O 3.5Å; N432-I444 PolarHBondContact N-O 2.89Å; R433-I444 PolarHBondContact N-O 3.42Å; R433-I444 VanDerWaalsContact N-O 3.11Å; R433-I444 PolarHBondContact O-N 2.86Å; F435-I444 HydrophobicContact CE1-CG1 4.48Å; V442-I444 HydrophobicContact CG1-CD1 4.02Å; I444-R450 HydrophobicContact CD1-CB 3.79Å; I444-R450 HydrophobicContact CD1-CG 4.36Å |
| 445 | S | 93.7 | Very high | 89.9 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | trans | -65.3 | 167.8 | 178.5 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | N432 D447 G448 D449 | N432-S445 PolarHBondContact N-O 3.2Å; S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 PolarHBondContact OG-N 3.34Å; S445-D447 VanDerWaalsContact OG-N 3.14Å; S445-G448 PolarHBondContact O-N 2.82Å; S445-G448 PolarHBondContact OG-N 3.43Å; S445-D449 WeakPolarHBondContact CB-O 3.3Å; S445-D449 PolarHBondContact N-O 3.24Å; S445-D449 PolarHBondContact OG-N 3.32Å; S445-D449 VanDerWaalsContact OG-N 3.14Å; S445-D449 PolarHBondContact OG-O 2.99Å | ||
| 446 | K | 93.4 | Very high | 89.6 | Confident | 150 Ų | 150 | 34.1 Ų | 34.1 | 65% | 0.652 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.5 | 169.4 | 65.9 | 177.1 | -174.6 | 177.5 | 0 | 113.6 | N432 G448 | N432-K446 HydrophobicContact CB-CB 4.29Å; K446-G448 VanDerWaalsContact C-N 3.33Å |
| 447 | D | 91.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 28.9 Ų | 28.9 | 29% | 0.289 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 14.6 | 178.4 | -53 | -42.7 | 0 | 0 | 0 | 110.6 | R153 S445 D449 | R153-D447 HydrophobicContact CG-CB 4.29Å; R153-D447 PolarHBondContact NE-O 2.95Å; R153-D447 PolarHBondContact NH2-O 2.68Å; S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 PolarHBondContact OG-N 3.34Å; S445-D447 VanDerWaalsContact OG-N 3.14Å; D447-D449 VanDerWaalsContact C-N 3.31Å; D447-D449 PolarHBondContact O-N 2.97Å |
| 448 | G | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 74.7 | 15.6 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | T160 R161 W431 S445 K446 | T160-G448 CarbonylContact C-O 3.56Å; T160-G448 WeakPolarHBondContact CA-O 3.49Å; R161-G448 PolarHBondContact N-O 3.42Å; W431-G448 VanDerWaalsContact CD1-CA 3.42Å; W431-G448 VanDerWaalsContact CD2-CA 3.49Å; W431-G448 VanDerWaalsContact NE1-CA 3.27Å; S445-G448 PolarHBondContact O-N 2.82Å; S445-G448 PolarHBondContact OG-N 3.43Å; K446-G448 VanDerWaalsContact C-N 3.33Å |
| 449 | D | 93.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -107.4 | 132.8 | 179.5 | -64.8 | -38.8 | 0 | 0 | 0 | 111.8 | R153 R161 S445 D447 F451 | R153-D449 IonicContact CZ-OD1 3.55Å; R153-D449 IonicContact NH2-OD1 3.35Å; R153-D449 PolarHBondContact NH2-OD1 2.88Å; R153-D449 IonicContact NH2-OD2 3.6Å; R153-D449 PolarHBondContact NH2-OD2 3.27Å; R161-D449 WeakPolarHBondContact CB-OD1 3.47Å; R161-D449 IonicContact CZ-OD1 2.76Å; R161-D449 IonicContact CZ-OD2 2.76Å; R161-D449 IonicContact NE-OD1 2.63Å; R161-D449 PolarHBondContact NE-OD1 3.47Å; R161-D449 IonicContact NE-OD2 3.1Å; R161-D449 IonicContact NH2-OD1 3.85Å; R161-D449 PolarHBondContact NH2-OD1 2.63Å; R161-D449 IonicContact NH2-OD2 3.75Å; R161-D449 PolarHBondContact NH2-OD2 2.83Å; S445-D449 WeakPolarHBondContact CB-O 3.3Å; S445-D449 PolarHBondContact N-O 3.24Å; S445-D449 PolarHBondContact OG-N 3.32Å; S445-D449 VanDerWaalsContact OG-N 3.14Å; S445-D449 PolarHBondContact OG-O 2.99Å; D447-D449 VanDerWaalsContact C-N 3.31Å; D447-D449 PolarHBondContact O-N 2.97Å; D449-F451 PolarHBondContact O-N 3.44Å |
| 450 | R | 93.6 | Very high | 88.2 | Confident | 18 Ų | 18 | 28 Ų | 28 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 129.7 | 166.7 | -176.7 | -179.8 | -179.7 | 159.3 | 2.7 | 109.8 | R161 M162 G164 D401 V442 T443 I444 S452 | R161-R450 PolarHBondContact O-N 2.85Å; M162-R450 WeakPolarHBondContact O-CD 3.27Å; M162-R450 PolarHBondContact O-NH1 3.42Å; G164-R450 WeakPolarHBondContact CA-O 3.33Å; D401-R450 IonicContact OD2-NH1 3.77Å; D401-R450 PolarHBondContact OD2-NH1 3.41Å; V442-R450 HydrophobicContact CG1-CG 4.09Å; T443-R450 WeakPolarHBondContact O-CA 3.31Å; I444-R450 HydrophobicContact CD1-CB 3.79Å; I444-R450 HydrophobicContact CD1-CG 4.36Å; R450-S452 PolarHBondContact O-N 3.13Å |
| 451 | F | 92.3 | Very high | 87.2 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | trans | -69.5 | 112.6 | 162.2 | -68.7 | -69.8 | 0 | 0 | 0 | 108.8 | T443 D449 | T443-F451 HydrophobicContact CG2-CD2 3.84Å; T443-F451 HydrophobicContact CG2-CE2 4.26Å; T443-F451 PolarHBondContact O-N 3.18Å; D449-F451 PolarHBondContact O-N 3.44Å | ||
| 452 | S | 89.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -92.7 | 136.4 | -175.4 | -74 | 0 | 0 | 0 | 0 | 111.5 | N163 R450 | N163-S452 PolarHBondContact O-OG 3.26Å; R450-S452 PolarHBondContact O-N 3.13Å | ||
| 453 | D | 87.9 | Confident | 84.1 | Confident | 47 Ų | 47 | 31.5 Ų | 31.5 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | trans | -95.3 | 134.8 | 173.2 | -60.7 | -18.2 | 0 | 0 | 0 | 109.9 | R358 K394 Y491 A492 G493 | R358-D453 HydrophobicContact CB-CB 3.98Å; R358-D453 WeakPolarHBondContact CB-O 3.29Å; R358-D453 PolarHBondContact N-O 3.37Å; K394-D453 PolarHBondContact NZ-O 2.97Å; D453-Y491 VanDerWaalsContact CA-O 3.25Å; D453-Y491 WeakPolarHBondContact CA-O 3.3Å; D453-A492 WeakPolarHBondContact OD1-CA 3.36Å; D453-G493 PolarHBondContact OD1-N 2.92Å | ||
| 454 | Y | 88.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.2 | -177.8 | -65.6 | -88.3 | 0 | 0 | 0 | 110.4 | E168 L169 T172 I322 T356 L357 Y490 Y491 | E168-Y454 HydrophobicContact CB-CE2 4.06Å; L169-Y454 HydrophobicContact CB-CE1 4.27Å; L169-Y454 HydrophobicContact CB-CE2 4.45Å; L169-Y454 HydrophobicContact CD1-CD1 4.18Å; L169-Y454 HydrophobicContact CD1-CE1 3.95Å; T172-Y454 HydrophobicContact CG2-CD2 4.44Å; T172-Y454 HydrophobicContact CG2-CG 4.25Å; T172-Y454 WeakPolarHBondContact OG1-CD2 3.49Å; I322-Y454 HydrophobicContact CD1-CE1 4.29Å; I322-Y454 HydrophobicContact CG1-CE1 4.46Å; T356-Y454 CarbonylContact O-C 3.57Å; T356-Y454 VanDerWaalsContact O-CA 3.28Å; T356-Y454 WeakPolarHBondContact O-CA 3.45Å; L357-Y454 HydrophobicContact CD2-CD1 3.99Å; L357-Y454 HydrophobicContact CD2-CE1 3.62Å; L357-Y454 HydrophobicContact CG-CD1 4.43Å; L357-Y454 HydrophobicContact CG-CE1 4.2Å; Y454-Y490 CarbonylContact O-C 3.57Å; Y454-Y490 WeakPolarHBondContact O-CA 3.38Å; Y454-Y490 WeakPolarHBondContact O-CB 3.29Å; Y454-Y491 HydrophobicContact CD2-CD1 4.17Å; Y454-Y491 PolarHBondContact N-O 3.03Å; Y454-Y491 VanDerWaalsContact N-O 3.12Å; Y454-Y491 PolarHBondContact O-N 2.7Å |
| 455 | S | 86 | Confident | 79.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.9 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | V355 T356 R358 E487 | V355-S455 WeakPolarHBondContact CA-O 3.44Å; T356-S455 PolarHBondContact N-O 3.32Å; T356-S455 PolarHBondContact O-N 3.44Å; R358-S455 VanDerWaalsContact CA-OG 3.25Å; R358-S455 WeakPolarHBondContact CA-OG 3.42Å; R358-S455 VanDerWaalsContact CB-OG 3.24Å; R358-S455 WeakPolarHBondContact CB-OG 3.29Å; R358-S455 VanDerWaalsContact CG-OG 3.26Å; R358-S455 WeakPolarHBondContact CG-OG 3.43Å; S455-E487 VanDerWaalsContact CB-OE2 3.28Å; S455-E487 WeakPolarHBondContact CB-OE2 3.49Å; S455-E487 PolarHBondContact OG-OE2 2.89Å |
| 456 | V | 86.1 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.4 | 168.8 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | M176 I354 V355 V488 A489 W504 | M176-V456 HydrophobicContact SD-CG1 4.33Å; M176-V456 HydrophobicContact SD-CG2 3.91Å; I354-V456 CarbonylContact O-C 3.46Å; I354-V456 WeakPolarHBondContact O-CA 3.25Å; V355-V456 HydrophobicContact CG2-CG2 4.4Å; V456-V488 HydrophobicContact CB-CG2 4.25Å; V456-V488 HydrophobicContact CG1-CG2 4.09Å; V456-V488 WeakPolarHBondContact O-CG2 3.49Å; V456-V488 PolarHBondContact O-N 2.8Å; V456-A489 HydrophobicContact CB-CB 4.29Å; V456-A489 HydrophobicContact CG2-CB 4.35Å; V456-A489 PolarHBondContact N-O 3.2Å; V456-W504 HydrophobicContact CB-CH2 4.39Å; V456-W504 HydrophobicContact CG1-CH2 3.71Å; V456-W504 HydrophobicContact CG1-CZ3 4.01Å |
| 457 | L | 82.8 | Confident | 73.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.4 | 179.7 | -51.8 | 179.4 | 0 | 0 | 0 | 109.9 | Q327 I354 T356 F485 Q486 E487 | Q327-L457 HydrophobicContact CG-CD1 3.74Å; I354-L457 HydrophobicContact CB-CB 4.25Å; I354-L457 PolarHBondContact N-O 3.32Å; I354-L457 PolarHBondContact O-N 2.9Å; T356-L457 HydrophobicContact CG2-CD1 3.78Å; T356-L457 HydrophobicContact CG2-CG 4.09Å; L457-F485 HydrophobicContact CB-CB 4.19Å; L457-Q486 VanDerWaalsContact CA-O 3.32Å; L457-Q486 WeakPolarHBondContact CA-O 3.49Å; L457-E487 HydrophobicContact CD2-CB 4.23Å |
| 458 | D | 82.2 | Confident | 71 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.4 | 178.9 | -161.1 | -3 | 0 | 0 | 0 | 110.7 | K353 N460 F485 Q486 V488 H505 | K353-D458 HydrophobicContact CD-CB 3.96Å; K353-D458 VanDerWaalsContact CD-OD1 3.28Å; K353-D458 WeakPolarHBondContact CD-OD1 3.43Å; K353-D458 WeakPolarHBondContact CD-OD2 3.4Å; K353-D458 WeakPolarHBondContact CE-OD1 3.42Å; K353-D458 WeakPolarHBondContact CE-OD2 3.24Å; K353-D458 IonicContact NZ-OD1 3.7Å; K353-D458 PolarHBondContact NZ-OD1 3.41Å; K353-D458 IonicContact NZ-OD2 2.61Å; K353-D458 PolarHBondContact NZ-OD2 3.24Å; D458-N460 PolarHBondContact O-N 2.73Å; D458-F485 VanDerWaalsContact C-CD1 3.42Å; D458-F485 CarbonylContact O-C 3.52Å; D458-F485 VanDerWaalsContact O-CA 3.22Å; D458-F485 WeakPolarHBondContact O-CA 3.46Å; D458-Q486 PolarHBondContact N-O 3.25Å; D458-Q486 PolarHBondContact O-N 3.21Å; D458-V488 HydrophobicContact CB-CB 4.31Å; D458-V488 HydrophobicContact CB-CG1 3.46Å; D458-V488 VanDerWaalsContact CB-CG1 3.46Å; D458-V488 HydrophobicContact CB-CG2 3.85Å; D458-H505 PolarHBondContact OD2-N 3.4Å |
| 459 | L | 76 | Confident | 68.3 | Low | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 130.1 | 178.6 | -171 | 73.1 | 0 | 0 | 0 | 109.5 | L346 P461 T484 F485 | L346-L459 HydrophobicContact CD2-CD1 3.92Å; L459-P461 WeakPolarHBondContact O-CD 3.49Å; L459-T484 HydrophobicContact CD1-CG2 4.17Å; L459-F485 HydrophobicContact CB-CE1 4.25Å; L459-F485 HydrophobicContact CD1-CE1 4.45Å; L459-F485 HydrophobicContact CD1-CE2 4.37Å; L459-F485 HydrophobicContact CD1-CZ 4.2Å |
| 460 | N | 69.9 | Low | 65.4 | Low | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | trans | -82.8 | 115.7 | 174.9 | -178.7 | -4.8 | 0 | 0 | 0 | 110.1 | D458 D462 T463 T484 Q486 | D458-N460 PolarHBondContact O-N 2.73Å; N460-D462 VanDerWaalsContact C-N 3.29Å; N460-D462 PolarHBondContact O-N 2.8Å; N460-D462 PolarHBondContact OD1-N 2.9Å; N460-T463 WeakPolarHBondContact CB-OG1 3.3Å; N460-T463 PolarHBondContact O-OG1 3.34Å; N460-T463 VanDerWaalsContact O-OG1 3.14Å; N460-T484 PolarHBondContact N-O 3.35Å; N460-Q486 HydrophobicContact CB-CG 4.29Å | ||
| 461 | P | 62.7 | Low | 62.6 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -68 | -25.6 | -177.2 | 26.4 | -33.5 | 0 | 0 | 0 | 113.6 | L459 | L459-P461 WeakPolarHBondContact O-CD 3.49Š|
| 462 | D | 59.6 | Low | 59.9 | Low | 134 Ų | 134 | 51.5 Ų | 51.5 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -78.8 | -29 | -175.2 | -62.5 | -34.5 | 0 | 0 | 0 | 112.2 | N460 G464 | N460-D462 VanDerWaalsContact C-N 3.29Å; N460-D462 PolarHBondContact O-N 2.8Å; N460-D462 PolarHBondContact OD1-N 2.9Å; D462-G464 PolarHBondContact O-N 3.22Å |
| 463 | T | 55.2 | Low | 57.2 | Low | 42 Ų | 42 | 56.6 Ų | 56.6 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -83.7 | 6.8 | 179.6 | 47.4 | 0 | 0 | 0 | 0 | 114.6 | N460 N465 N483 | N460-T463 WeakPolarHBondContact CB-OG1 3.3Å; N460-T463 PolarHBondContact O-OG1 3.34Å; N460-T463 VanDerWaalsContact O-OG1 3.14Å; T463-N465 PolarHBondContact O-N 3.33Å; T463-N483 HydrophobicContact CG2-CB 4.01Å; T463-N483 PolarHBondContact OG1-O 3.22Å |
| 464 | G | 47.3 | Very low | 54.7 | Low | 39 Ų | 39 | 55.8 Ų | 55.8 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -73.1 | -10.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D462 | D462-G464 PolarHBondContact O-N 3.22Š|
| 465 | N | 36 | Very low | 52.1 | Low | 150 Ų | 150 | 63.3 Ų | 63.3 | 80% | 0.802 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -109.1 | 112.5 | 171.9 | -83.8 | -23.3 | 0 | 0 | 0 | 109.5 | T463 | T463-N465 PolarHBondContact O-N 3.33Š|
| 466 | F | 37 | Very low | 49.6 | Very low | 93 Ų | 93 | 67.5 Ų | 67.5 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | trans | -87.8 | 111 | 178.9 | -94.7 | -104.6 | 0 | 0 | 0 | 111.5 | V468 Y471 | F466-V468 PolarHBondContact O-N 3.17Å; F466-Y471 AromaticContact CE1-CD2 3.94Å; F466-Y471 HydrophobicContact CE1-CD2 3.94Å; F466-Y471 HydrophobicContact CE1-CE2 4.06Å | ||
| 467 | D | 36.4 | Very low | 47.1 | Very low | 125 Ų | 125 | 70.4 Ų | 70.4 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | trans | -81.9 | 107.2 | 159.1 | -170.4 | -5 | 0 | 0 | 0 | 109.2 | G469 A470 | D467-G469 PolarHBondContact O-N 3Å; D467-G469 PolarHBondContact OD1-N 2.71Å; D467-A470 PolarHBondContact O-N 3.06Å | ||
| 468 | V | 35.9 | Very low | 44.5 | Very low | 113 Ų | 113 | 72.4 Ų | 72.4 | 69% | 0.685 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.5 | -24 | -172.7 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | F466 | F466-V468 PolarHBondContact O-N 3.17Å |
| 469 | G | 34.7 | Very low | 42.2 | Very low | 47 Ų | 47 | 81.5 Ų | 81.5 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.6 | -38.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D467 | D467-G469 PolarHBondContact O-N 3Å; D467-G469 PolarHBondContact OD1-N 2.71Å |
| 470 | A | 34.6 | Very low | 40.1 | Very low | 63 Ų | 63 | 84.5 Ų | 84.5 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.2 | -30.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D467 V473 A474 | D467-A470 PolarHBondContact O-N 3.06Å; A470-V473 PolarHBondContact O-N 2.94Å; A470-A474 WeakPolarHBondContact O-CB 3.37Å; A470-A474 PolarHBondContact O-N 3.36Å; A470-A474 VanDerWaalsContact O-N 3.1Å |
| 471 | Y | 34.9 | Very low | 38.9 | Very low | 51 Ų | 51 | 86.9 Ų | 86.9 | 20% | 0.2 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 180 | -172.1 | -97.6 | 0 | 0 | 0 | 112.9 | N335 F466 R475 F480 | N335-Y471 PolarHBondContact OD1-OH 3.25Å; F466-Y471 AromaticContact CE1-CD2 3.94Å; F466-Y471 HydrophobicContact CE1-CD2 3.94Å; F466-Y471 HydrophobicContact CE1-CE2 4.06Å; Y471-R475 WeakPolarHBondContact O-CB 3.37Å; Y471-R475 PolarHBondContact O-N 2.9Å; Y471-R475 VanDerWaalsContact O-N 3.11Å; Y471-R475 PolarHBondContact OH-NH2 3.32Å; Y471-F480 HydrophobicContact CD2-CE1 4.12Å; Y471-F480 HydrophobicContact CD2-CE2 4.25Å; Y471-F480 AromaticContact CD2-CZ 3.53Å; Y471-F480 HydrophobicContact CD2-CZ 3.53Å; Y471-F480 HydrophobicContact CE2-CE1 4.16Å; Y471-F480 HydrophobicContact CE2-CE2 4.45Å; Y471-F480 AromaticContact CE2-CZ 3.87Å; Y471-F480 HydrophobicContact CE2-CZ 3.87Å; Y471-F480 HydrophobicContact CG-CZ 4.31Å |
| 472 | A | 34.1 | Very low | 38.2 | Very low | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -36 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A476 | A472-A476 PolarHBondContact O-N 3.23Å |
| 473 | V | 34.2 | Very low | 37.8 | Very low | 107 Ų | 107 | 84.6 Ų | 84.6 | 65% | 0.648 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.5 | -40.6 | -179.7 | -179 | 0 | 0 | 0 | 0 | 111.4 | A470 A476 A477 | A470-V473 PolarHBondContact O-N 2.94Å; V473-A476 PolarHBondContact O-N 3.36Å; V473-A477 WeakPolarHBondContact O-CB 3.28Å; V473-A477 PolarHBondContact O-N 3.05Å |
| 474 | A | 35.3 | Very low | 38 | Very low | 30 Ų | 30 | 84 Ų | 84 | 25% | 0.248 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -68.9 | -31.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A470 A477 G478 Y479 F480 | A470-A474 WeakPolarHBondContact O-CB 3.37Å; A470-A474 PolarHBondContact O-N 3.36Å; A470-A474 VanDerWaalsContact O-N 3.1Å; A474-A477 PolarHBondContact O-N 3.37Å; A474-G478 PolarHBondContact O-N 3.05Å; A474-Y479 PolarHBondContact O-N 3.13Å; A474-F480 HydrophobicContact CB-CD2 3.96Å; A474-F480 HydrophobicContact CB-CE2 3.28Å; A474-F480 HydrophobicContact CB-CZ 3.78Å |
| 475 | R | 32.4 | Very low | 38.9 | Very low | 157 Ų | 157 | 83 Ų | 83 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 174.2 | -172 | -175.9 | -118.9 | -179.2 | 2.1 | 112.1 | Y471 A477 F480 | Y471-R475 WeakPolarHBondContact O-CB 3.37Å; Y471-R475 PolarHBondContact O-N 2.9Å; Y471-R475 VanDerWaalsContact O-N 3.11Å; Y471-R475 PolarHBondContact OH-NH2 3.32Å; R475-A477 VanDerWaalsContact C-N 3.3Å; R475-F480 HydrophobicContact CB-CD2 4.44Å; R475-F480 HydrophobicContact CB-CE2 4.24Å |
| 476 | A | 34 | Very low | 40.7 | Very low | 92 Ų | 92 | 79 Ų | 79 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.6 | -21.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A472 V473 | A472-A476 PolarHBondContact O-N 3.23Å; V473-A476 PolarHBondContact O-N 3.36Å |
| 477 | A | 33.3 | Very low | 42.7 | Very low | 62 Ų | 62 | 77.3 Ų | 77.3 | 51% | 0.512 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -0.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | V473 A474 R475 Y479 | V473-A477 WeakPolarHBondContact O-CB 3.28Å; V473-A477 PolarHBondContact O-N 3.05Å; A474-A477 PolarHBondContact O-N 3.37Å; R475-A477 VanDerWaalsContact C-N 3.3Å; A477-Y479 HydrophobicContact CB-CD2 4.23Å; A477-Y479 PolarHBondContact O-N 3.35Å |
| 478 | G | 29.5 | Very low | 45 | Very low | 48 Ų | 48 | 71.4 Ų | 71.4 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 17 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R366 A474 | R366-G478 PolarHBondContact NH2-O 3.45Å; A474-G478 PolarHBondContact O-N 3.05Å |
| 479 | Y | 32.8 | Very low | 47.6 | Very low | 191 Ų | 191 | 66 Ų | 66 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | trans | -101.8 | 77.5 | 178 | -91.6 | -90.7 | 0 | 0 | 0 | 109.4 | A474 A477 | A474-Y479 PolarHBondContact O-N 3.13Å; A477-Y479 HydrophobicContact CB-CD2 4.23Å; A477-Y479 PolarHBondContact O-N 3.35Å | ||
| 480 | F | 33.5 | Very low | 50.2 | Low | 77 Ų | 77 | 65.7 Ų | 65.7 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | trans | -143 | 115.8 | 162.5 | -94 | -77.7 | 0 | 0 | 0 | 109.6 | Y471 A474 R475 | Y471-F480 HydrophobicContact CD2-CE1 4.12Å; Y471-F480 HydrophobicContact CD2-CE2 4.25Å; Y471-F480 AromaticContact CD2-CZ 3.53Å; Y471-F480 HydrophobicContact CD2-CZ 3.53Å; Y471-F480 HydrophobicContact CE2-CE1 4.16Å; Y471-F480 HydrophobicContact CE2-CE2 4.45Å; Y471-F480 AromaticContact CE2-CZ 3.87Å; Y471-F480 HydrophobicContact CE2-CZ 3.87Å; Y471-F480 HydrophobicContact CG-CZ 4.31Å; A474-F480 HydrophobicContact CB-CD2 3.96Å; A474-F480 HydrophobicContact CB-CE2 3.28Å; A474-F480 HydrophobicContact CB-CZ 3.78Å; R475-F480 HydrophobicContact CB-CD2 4.44Å; R475-F480 HydrophobicContact CB-CE2 4.24Å | ||
| 481 | D | 42.9 | Very low | 52.9 | Low | 73 Ų | 73 | 62.8 Ų | 62.8 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | trans | -101.7 | 125.7 | 140.5 | -125.7 | -20.1 | 0 | 0 | 0 | 103 | R359 Q362 N483 | R359-D481 IonicContact NH1-OD1 3.17Å; R359-D481 PolarHBondContact NH1-OD1 3.44Å; R359-D481 IonicContact NH1-OD2 2.9Å; Q362-D481 PolarHBondContact NE2-OD2 2.83Å; Q362-D481 VanDerWaalsContact NE2-OD2 3.08Å; D481-N483 PolarHBondContact O-N 3.02Å; D481-N483 VanDerWaalsContact O-N 3.16Å | ||
| 482 | D | 48.7 | Very low | 55.5 | Low | 48 Ų | 48 | 60.7 Ų | 60.7 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | trans | -66.1 | 110.2 | -168.3 | -73.9 | -47.5 | 0 | 0 | 0 | 112.3 | S331 T484 | S331-D482 WeakPolarHBondContact CB-OD2 3.45Å; S331-D482 PolarHBondContact OG-OD2 2.8Å; D482-T484 PolarHBondContact O-N 2.75Å | ||
| 483 | N | 50.3 | Low | 58.1 | Low | 107 Ų | 107 | 57.9 Ų | 57.9 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 13.6 | -169.8 | -88.2 | -15.7 | 0 | 0 | 0 | 116.9 | T463 D481 F485 | T463-N483 HydrophobicContact CG2-CB 4.01Å; T463-N483 PolarHBondContact OG1-O 3.22Å; D481-N483 PolarHBondContact O-N 3.02Å; D481-N483 VanDerWaalsContact O-N 3.16Å; N483-F485 VanDerWaalsContact C-N 3.35Å; N483-F485 PolarHBondContact O-N 2.9Å |
| 484 | T | 59.8 | Low | 60.7 | Low | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -37 | -175.9 | -32.1 | 0 | 0 | 0 | 0 | 112.1 | L334 L346 L459 N460 D482 | L334-T484 HydrophobicContact CD1-CG2 3.76Å; L346-T484 HydrophobicContact CD2-CG2 4.3Å; L459-T484 HydrophobicContact CD1-CG2 4.17Å; N460-T484 PolarHBondContact N-O 3.35Å; D482-T484 PolarHBondContact O-N 2.75Å |
| 485 | F | 66.8 | Low | 63.3 | Low | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.2 | 176.3 | -74.8 | -93 | 0 | 0 | 0 | 110.7 | F330 I354 L457 D458 L459 N483 | F330-F485 HydrophobicContact CB-CE2 4.44Å; F330-F485 HydrophobicContact CD2-CE2 4.2Å; F330-F485 HydrophobicContact CG-CE2 4.19Å; I354-F485 HydrophobicContact CD1-CD1 4.3Å; I354-F485 HydrophobicContact CD1-CE1 4.01Å; I354-F485 HydrophobicContact CD1-CE2 4.47Å; I354-F485 HydrophobicContact CD1-CZ 4.11Å; L457-F485 HydrophobicContact CB-CB 4.19Å; D458-F485 VanDerWaalsContact C-CD1 3.42Å; D458-F485 CarbonylContact O-C 3.52Å; D458-F485 VanDerWaalsContact O-CA 3.22Å; D458-F485 WeakPolarHBondContact O-CA 3.46Å; L459-F485 HydrophobicContact CB-CE1 4.25Å; L459-F485 HydrophobicContact CD1-CE1 4.45Å; L459-F485 HydrophobicContact CD1-CE2 4.37Å; L459-F485 HydrophobicContact CD1-CZ 4.2Å; N483-F485 VanDerWaalsContact C-N 3.35Å; N483-F485 PolarHBondContact O-N 2.9Å |
| 486 | Q | 73.9 | Confident | 66 | Low | 65 Ų | 65 | 55.5 Ų | 55.5 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.4 | 179.4 | 63.2 | -179.9 | -5.1 | 0 | 0 | 111.9 | L457 D458 N460 V488 | L457-Q486 VanDerWaalsContact CA-O 3.32Å; L457-Q486 WeakPolarHBondContact CA-O 3.49Å; D458-Q486 PolarHBondContact N-O 3.25Å; D458-Q486 PolarHBondContact O-N 3.21Å; N460-Q486 HydrophobicContact CB-CG 4.29Å; Q486-V488 HydrophobicContact CG-CG1 4.16Å; Q486-V488 PolarHBondContact O-N 3.02Å |
| 487 | E | 78.9 | Confident | 68.8 | Low | 59 Ų | 59 | 56.4 Ų | 56.4 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 112.8 | 171.5 | -175.5 | 178 | 87.1 | 0 | 0 | 109.3 | R358 S455 L457 V501 | R358-E487 IonicContact NE-OE1 2.64Å; R358-E487 IonicContact NE-OE2 3.82Å; R358-E487 PolarHBondContact NE-OE2 3.32Å; R358-E487 IonicContact NH2-OE1 2.68Å; R358-E487 PolarHBondContact NH2-OE1 3.38Å; S455-E487 VanDerWaalsContact CB-OE2 3.28Å; S455-E487 WeakPolarHBondContact CB-OE2 3.49Å; S455-E487 PolarHBondContact OG-OE2 2.89Å; L457-E487 HydrophobicContact CD2-CB 4.23Å; E487-V501 HydrophobicContact CG-CG2 3.89Å; E487-V501 WeakPolarHBondContact O-CG2 3.42Å |
| 488 | V | 85.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -27.8 | 177.4 | -68 | 0 | 0 | 0 | 0 | 112.4 | V456 D458 Q486 V501 G502 K503 W504 | V456-V488 HydrophobicContact CB-CG2 4.25Å; V456-V488 HydrophobicContact CG1-CG2 4.09Å; V456-V488 WeakPolarHBondContact O-CG2 3.49Å; V456-V488 PolarHBondContact O-N 2.8Å; D458-V488 HydrophobicContact CB-CB 4.31Å; D458-V488 HydrophobicContact CB-CG1 3.46Å; D458-V488 VanDerWaalsContact CB-CG1 3.46Å; D458-V488 HydrophobicContact CB-CG2 3.85Å; Q486-V488 HydrophobicContact CG-CG1 4.16Å; Q486-V488 PolarHBondContact O-N 3.02Å; V488-V501 PolarHBondContact O-N 3.3Å; V488-G502 PolarHBondContact O-N 3.31Å; V488-K503 WeakPolarHBondContact CG1-O 3.4Å; V488-W504 HydrophobicContact CG2-CD2 4.01Å; V488-W504 HydrophobicContact CG2-CE3 4.18Å; V488-W504 HydrophobicContact CG2-CH2 4.39Å; V488-W504 HydrophobicContact CG2-CZ2 4.2Å; V488-W504 HydrophobicContact CG2-CZ3 4.37Å |
| 489 | A | 88.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 154.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V456 L498 Y499 V500 W504 | V456-A489 HydrophobicContact CB-CB 4.29Å; V456-A489 HydrophobicContact CG2-CB 4.35Å; V456-A489 PolarHBondContact N-O 3.2Å; A489-L498 HydrophobicContact CB-CD1 4.31Å; A489-L498 HydrophobicContact CB-CG 4.43Å; A489-Y499 CarbonylContact C-O 3.59Å; A489-Y499 WeakPolarHBondContact CA-O 3.5Å; A489-Y499 WeakPolarHBondContact CB-O 3.5Å; A489-V500 HydrophobicContact CB-CG2 4.45Å; A489-W504 HydrophobicContact CB-CZ2 3.92Å |
| 490 | Y | 89.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 144.9 | 169.8 | 74.4 | -92.6 | 0 | 0 | 0 | 111 | R358 Y454 A492 Y499 V501 | R358-Y490 VanDerWaalsContact NH1-CD2 3.33Å; R358-Y490 VanDerWaalsContact NH1-CE2 3.31Å; Y454-Y490 CarbonylContact O-C 3.57Å; Y454-Y490 WeakPolarHBondContact O-CA 3.38Å; Y454-Y490 WeakPolarHBondContact O-CB 3.29Å; Y490-A492 HydrophobicContact CE2-CB 4.21Å; Y490-Y499 HydrophobicContact CD2-CD2 4.21Å; Y490-Y499 HydrophobicContact CE1-CD2 4.44Å; Y490-Y499 HydrophobicContact CE1-CG 4.02Å; Y490-Y499 AromaticContact CE2-CD2 3.47Å; Y490-Y499 HydrophobicContact CE2-CD2 3.47Å; Y490-Y499 VanDerWaalsContact CE2-CD2 3.47Å; Y490-Y499 HydrophobicContact CE2-CE2 4.24Å; Y490-Y499 AromaticContact CE2-CG 3.89Å; Y490-Y499 HydrophobicContact CE2-CG 3.89Å; Y490-Y499 VanDerWaalsContact CZ-CB 3.43Å; Y490-Y499 AromaticContact CZ-CD2 3.59Å; Y490-Y499 AromaticContact CZ-CG 3.52Å; Y490-Y499 PolarHBondContact N-O 3.07Å; Y490-Y499 PolarHBondContact O-N 3.34Å; Y490-V501 HydrophobicContact CD1-CG1 3.62Å; Y490-V501 HydrophobicContact CD1-CG2 4.27Å; Y490-V501 HydrophobicContact CE1-CG1 3.44Å; Y490-V501 VanDerWaalsContact CE1-CG1 3.44Å |
| 491 | Y | 91.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.9 | 172.3 | 174.1 | -98.7 | 0 | 0 | 0 | 109.4 | F171 T172 R175 D453 Y454 G493 D496 | F171-Y491 HydrophobicContact CB-CE2 4.47Å; F171-Y491 WeakPolarHBondContact CB-OH 3.28Å; T172-Y491 HydrophobicContact CG2-CG 4.19Å; T172-Y491 WeakPolarHBondContact OG1-CD1 3.38Å; T172-Y491 WeakPolarHBondContact OG1-CE1 3.2Å; R175-Y491 HydrophobicContact CB-CD2 4.47Å; R175-Y491 HydrophobicContact CG-CD2 4.3Å; R175-Y491 HydrophobicContact CG-CE2 3.95Å; D453-Y491 VanDerWaalsContact CA-O 3.25Å; D453-Y491 WeakPolarHBondContact CA-O 3.3Å; Y454-Y491 HydrophobicContact CD2-CD1 4.17Å; Y454-Y491 PolarHBondContact N-O 3.03Å; Y454-Y491 VanDerWaalsContact N-O 3.12Å; Y454-Y491 PolarHBondContact O-N 2.7Å; Y491-G493 VanDerWaalsContact CE1-CA 3.43Å; Y491-D496 PolarHBondContact OH-OD1 3.17Å |
| 492 | A | 90.9 | Very high | 81.3 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | D453 Y490 S494 Q495 D496 K497 Y499 | D453-A492 WeakPolarHBondContact OD1-CA 3.36Å; Y490-A492 HydrophobicContact CE2-CB 4.21Å; A492-S494 VanDerWaalsContact C-N 3.3Å; A492-S494 PolarHBondContact O-N 3.34Å; A492-Q495 HydrophobicContact CB-CB 4.26Å; A492-Q495 PolarHBondContact O-N 3.15Å; A492-Q495 VanDerWaalsContact O-N 3.1Å; A492-D496 PolarHBondContact O-N 3.14Å; A492-K497 PolarHBondContact N-O 3.01Å; A492-Y499 HydrophobicContact CB-CD2 4.27Å; A492-Y499 HydrophobicContact CB-CE2 3.97Å |
| 493 | G | 88.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.1 | -37.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | D453 Y491 Q495 D496 | D453-G493 PolarHBondContact OD1-N 2.92Å; Y491-G493 VanDerWaalsContact CE1-CA 3.43Å; G493-Q495 PolarHBondContact O-N 3.17Å; G493-Q495 VanDerWaalsContact O-N 3.17Å; G493-D496 PolarHBondContact O-N 2.84Å |
| 494 | S | 88.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -66.9 | -17 | 180 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | A492 | A492-S494 VanDerWaalsContact C-N 3.3Å; A492-S494 PolarHBondContact O-N 3.34Å |
| 495 | Q | 90.2 | Very high | 85.7 | Confident | 118 Ų | 118 | 52.1 Ų | 52.1 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -114.9 | -5.3 | -177 | -62.9 | 174 | 2.2 | 0 | 0 | 112.6 | A492 G493 K497 Y499 | A492-Q495 HydrophobicContact CB-CB 4.26Å; A492-Q495 PolarHBondContact O-N 3.15Å; A492-Q495 VanDerWaalsContact O-N 3.1Å; G493-Q495 PolarHBondContact O-N 3.17Å; G493-Q495 VanDerWaalsContact O-N 3.17Å; Q495-K497 VanDerWaalsContact C-N 3.25Å; Q495-K497 HydrophobicContact CB-CB 4.4Å; Q495-K497 PolarHBondContact O-N 3.31Å; Q495-Y499 PolarHBondContact OE1-OH 3.45Å |
| 496 | D | 89.5 | Confident | 86.6 | Confident | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 50 | -171.9 | -177.7 | 21.5 | 0 | 0 | 0 | 112.4 | R175 Y491 A492 G493 | R175-D496 IonicContact CZ-OD1 2.78Å; R175-D496 IonicContact CZ-OD2 3.67Å; R175-D496 IonicContact NE-OD1 2.86Å; R175-D496 PolarHBondContact NE-OD1 3.48Å; R175-D496 IonicContact NE-OD2 3.44Å; R175-D496 IonicContact NH2-OD1 3.98Å; R175-D496 PolarHBondContact NH2-OD1 3.37Å; R175-D496 IonicContact NH2-OD2 2.68Å; R175-D496 PolarHBondContact NH2-OD2 2.98Å; Y491-D496 PolarHBondContact OH-OD1 3.17Å; A492-D496 PolarHBondContact O-N 3.14Å; G493-D496 PolarHBondContact O-N 2.84Å |
| 497 | K | 91.3 | Very high | 87 | Confident | 112 Ų | 112 | 52.8 Ų | 52.8 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.5 | -176.3 | -171.2 | 169.5 | 175.9 | -177.9 | 0 | 111.9 | A492 Q495 Y499 | A492-K497 PolarHBondContact N-O 3.01Å; Q495-K497 VanDerWaalsContact C-N 3.25Å; Q495-K497 HydrophobicContact CB-CB 4.4Å; Q495-K497 PolarHBondContact O-N 3.31Å; K497-Y499 HydrophobicContact CB-CE2 3.92Å; K497-Y499 HydrophobicContact CD-CE1 4.25Å; K497-Y499 HydrophobicContact CD-CE2 4.11Å; K497-Y499 HydrophobicContact CG-CD2 4.38Å; K497-Y499 HydrophobicContact CG-CE2 3.93Å |
| 498 | L | 90.8 | Very high | 87 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129.4 | 169.1 | -170 | 79.7 | 0 | 0 | 0 | 109.4 | R175 M176 A489 | R175-L498 HydrophobicContact CB-CB 4.2Å; M176-L498 HydrophobicContact CB-CD2 4.31Å; A489-L498 HydrophobicContact CB-CD1 4.31Å; A489-L498 HydrophobicContact CB-CG 4.43Å |
| 499 | Y | 91.4 | Very high | 86.8 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.1 | 175.6 | -70.4 | -90.1 | 0 | 0 | 0 | 108.9 | A489 Y490 A492 Q495 K497 | A489-Y499 CarbonylContact C-O 3.59Å; A489-Y499 WeakPolarHBondContact CA-O 3.5Å; A489-Y499 WeakPolarHBondContact CB-O 3.5Å; Y490-Y499 HydrophobicContact CD2-CD2 4.21Å; Y490-Y499 HydrophobicContact CE1-CD2 4.44Å; Y490-Y499 HydrophobicContact CE1-CG 4.02Å; Y490-Y499 AromaticContact CE2-CD2 3.47Å; Y490-Y499 HydrophobicContact CE2-CD2 3.47Å; Y490-Y499 VanDerWaalsContact CE2-CD2 3.47Å; Y490-Y499 HydrophobicContact CE2-CE2 4.24Å; Y490-Y499 AromaticContact CE2-CG 3.89Å; Y490-Y499 HydrophobicContact CE2-CG 3.89Å; Y490-Y499 VanDerWaalsContact CZ-CB 3.43Å; Y490-Y499 AromaticContact CZ-CD2 3.59Å; Y490-Y499 AromaticContact CZ-CG 3.52Å; Y490-Y499 PolarHBondContact N-O 3.07Å; Y490-Y499 PolarHBondContact O-N 3.34Å; A492-Y499 HydrophobicContact CB-CD2 4.27Å; A492-Y499 HydrophobicContact CB-CE2 3.97Å; Q495-Y499 PolarHBondContact OE1-OH 3.45Å; K497-Y499 HydrophobicContact CB-CE2 3.92Å; K497-Y499 HydrophobicContact CD-CE1 4.25Å; K497-Y499 HydrophobicContact CD-CE2 4.11Å; K497-Y499 HydrophobicContact CG-CD2 4.38Å; K497-Y499 HydrophobicContact CG-CE2 3.93Å |
| 500 | V | 88.3 | Confident | 86.6 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.5 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | A489 G502 | A489-V500 HydrophobicContact CB-CG2 4.45Å; V500-G502 WeakPolarHBondContact CG1-O 3.41Å |
| 501 | V | 85.9 | Confident | 86.3 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | trans | -117 | -15.3 | -174.6 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | E487 V488 Y490 | E487-V501 HydrophobicContact CG-CG2 3.89Å; E487-V501 WeakPolarHBondContact O-CG2 3.42Å; V488-V501 PolarHBondContact O-N 3.3Å; Y490-V501 HydrophobicContact CD1-CG1 3.62Å; Y490-V501 HydrophobicContact CD1-CG2 4.27Å; Y490-V501 HydrophobicContact CE1-CG1 3.44Å; Y490-V501 VanDerWaalsContact CE1-CG1 3.44Å | ||
| 502 | G | 79.3 | Confident | 85.9 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -137.1 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V488 V500 | V488-G502 PolarHBondContact O-N 3.31Å; V500-G502 WeakPolarHBondContact CG1-O 3.41Å |
| 503 | K | 82.5 | Confident | 85.2 | Confident | 181 Ų | 181 | 67.6 Ų | 67.6 | 79% | 0.787 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 126 | 177 | -169.2 | 179.6 | 179.5 | -175.3 | 0 | 109.6 | V488 | V488-K503 WeakPolarHBondContact CG1-O 3.4Š|
| 504 | W | 84.5 | Confident | 84.3 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 13% | 0.129 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 133.5 | 173.4 | -65.3 | 74.5 | 0 | 0 | 0 | 110.4 | M176 L180 K353 V456 V488 A489 W506 | M176-W504 HydrophobicContact CG-CH2 4.1Å; M176-W504 HydrophobicContact SD-CH2 4.24Å; L180-W504 HydrophobicContact CD1-CH2 4.24Å; L180-W504 HydrophobicContact CD1-CZ3 4.26Å; K353-W504 HydrophobicContact CD-CE3 4.11Å; K353-W504 HydrophobicContact CD-CZ3 4.14Å; K353-W504 HydrophobicContact CG-CZ3 4.33Å; V456-W504 HydrophobicContact CB-CH2 4.39Å; V456-W504 HydrophobicContact CG1-CH2 3.71Å; V456-W504 HydrophobicContact CG1-CZ3 4.01Å; V488-W504 HydrophobicContact CG2-CD2 4.01Å; V488-W504 HydrophobicContact CG2-CE3 4.18Å; V488-W504 HydrophobicContact CG2-CH2 4.39Å; V488-W504 HydrophobicContact CG2-CZ2 4.2Å; V488-W504 HydrophobicContact CG2-CZ3 4.37Å; A489-W504 HydrophobicContact CB-CZ2 3.92Å; W504-W506 HydrophobicContact CB-CZ2 3.99Å; W504-W506 HydrophobicContact CD2-CZ2 4.18Å; W504-W506 HydrophobicContact CE3-CH2 4.08Å; W504-W506 AromaticContact CE3-CZ2 3.76Å; W504-W506 HydrophobicContact CE3-CZ2 3.76Å; W504-W506 HydrophobicContact CG-CZ2 4.31Å |
| 505 | H | 83.7 | Confident | 83.4 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -91 | 127.1 | 174.1 | 178.5 | 72.7 | 0 | 0 | 0 | 110.5 | K353 D458 | K353-H505 WeakPolarHBondContact CE-O 3.22Å; K353-H505 PolarHBondContact NZ-O 2.97Å; D458-H505 PolarHBondContact OD2-N 3.4Å |
| 506 | W | 85.6 | Confident | 82.1 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | trans | -130.1 | 129.4 | 177.5 | -56.9 | 111 | 0 | 0 | 0 | 109.8 | L180 V316 W504 A508 G509 E510 P511 | L180-W506 HydrophobicContact CD2-CH2 4.25Å; L180-W506 HydrophobicContact CD2-CZ2 3.88Å; V316-W506 HydrophobicContact CB-CZ3 4.19Å; V316-W506 HydrophobicContact CG2-CH2 4.46Å; V316-W506 HydrophobicContact CG2-CZ3 3.81Å; W504-W506 HydrophobicContact CB-CZ2 3.99Å; W504-W506 HydrophobicContact CD2-CZ2 4.18Å; W504-W506 HydrophobicContact CE3-CH2 4.08Å; W504-W506 AromaticContact CE3-CZ2 3.76Å; W504-W506 HydrophobicContact CE3-CZ2 3.76Å; W504-W506 HydrophobicContact CG-CZ2 4.31Å; W506-A508 VanDerWaalsContact C-N 3.27Å; W506-A508 PolarHBondContact O-N 3.19Å; W506-G509 PolarHBondContact O-N 3.45Å; W506-E510 WeakPolarHBondContact CB-O 3.39Å; W506-P511 HydrophobicContact CD2-CB 4.01Å; W506-P511 HydrophobicContact CE3-CB 4.21Å; W506-P511 HydrophobicContact CH2-CB 3.99Å; W506-P511 HydrophobicContact CZ2-CB 3.78Å; W506-P511 HydrophobicContact CZ3-CB 4.19Å | ||
| 507 | V | 81.8 | Confident | 81.1 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -38.1 | -177.2 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | A350 | A350-V507 HydrophobicContact CB-CG2 3.8Š|
| 508 | A | 78.6 | Confident | 79.8 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 12.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | W506 E510 | W506-A508 VanDerWaalsContact C-N 3.27Å; W506-A508 PolarHBondContact O-N 3.19Å; A508-E510 PolarHBondContact O-N 2.97Å |
| 509 | G | 82.1 | Confident | 78.4 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 80.5 | -22.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | W506 | W506-G509 PolarHBondContact O-N 3.45Š|
| 510 | E | 83.9 | Confident | 76.8 | Confident | 150 Ų | 150 | 64.7 Ų | 64.7 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -130.5 | 153.4 | -179.1 | -56.8 | -174 | -156.7 | 0 | 0 | 110.9 | W506 A508 | W506-E510 WeakPolarHBondContact CB-O 3.39Å; A508-E510 PolarHBondContact O-N 2.97Å |
| 511 | P | 84.8 | Confident | 75.5 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 133.4 | 174.5 | 24.5 | -32.3 | 0 | 0 | 0 | 110.8 | W506 | W506-P511 HydrophobicContact CD2-CB 4.01Å; W506-P511 HydrophobicContact CE3-CB 4.21Å; W506-P511 HydrophobicContact CH2-CB 3.99Å; W506-P511 HydrophobicContact CZ2-CB 3.78Å; W506-P511 HydrophobicContact CZ3-CB 4.19Å |
| 512 | P | 82.4 | Confident | 74.2 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 137 | -179.9 | 23.1 | -31.3 | 0 | 0 | 0 | 110.6 | Y182 G313 V316 | Y182-P512 WeakPolarHBondContact CE1-O 3.17Å; Y182-P512 VanDerWaalsContact CZ-O 3.24Å; Y182-P512 WeakPolarHBondContact OH-CD 3.37Å; Y182-P512 PolarHBondContact OH-O 3.14Å; G313-P512 WeakPolarHBondContact O-CB 3.27Å; V316-P512 HydrophobicContact CB-CG 4.2Å; V316-P512 HydrophobicContact CG1-CG 4.22Å |
| 513 | P | 75.8 | Confident | 73.4 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -65 | 142.1 | 179.8 | 27.3 | -34.7 | 0 | 0 | 0 | 111.1 | S286 K515 | S286-P513 WeakPolarHBondContact CB-O 3.41Å; S286-P513 PolarHBondContact OG-O 3.43Å; P513-K515 PolarHBondContact O-N 2.93Å |
| 514 | D | 70.6 | Confident | 72.5 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.112 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -68.1 | -19.6 | -177.8 | 75.1 | -31.6 | 0 | 0 | 0 | 114 | Y182 E183 N184 | Y182-D514 HydrophobicContact CD1-CB 3.68Å; Y182-D514 HydrophobicContact CE1-CB 4.25Å; Y182-D514 HydrophobicContact CG-CB 4.35Å; E183-D514 WeakPolarHBondContact CA-OD2 3.34Å; E183-D514 WeakPolarHBondContact CB-OD2 3.36Å; E183-D514 PolarHBondContact N-OD2 3.47Å; N184-D514 HydrophobicContact CB-CB 4.13Å; N184-D514 WeakPolarHBondContact CB-OD2 3.49Å; N184-D514 PolarHBondContact N-OD2 3.05Å; N184-D514 PolarHBondContact ND2-OD2 2.89Å |
| 515 | K | 67.8 | Low | 71.5 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -124.9 | 134.3 | 173.6 | -63.3 | 168.5 | -159.7 | 157.3 | 0 | 109.6 | E183 N184 P513 F520 | E183-K515 IonicContact OE2-NZ 2.95Å; E183-K515 PolarHBondContact OE2-NZ 3.42Å; N184-K515 WeakPolarHBondContact ND2-CE 3.48Å; P513-K515 PolarHBondContact O-N 2.93Å; K515-F520 HydrophobicContact CG-CE2 4.33Å; K515-F520 HydrophobicContact CG-CZ 4.4Å |
| 516 | P | 64.4 | Low | 70.1 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | trans | -60.4 | 143.1 | 172 | -20.2 | 30.3 | 0 | 0 | 0 | 111.8 | C518 G519 F520 | P516-C518 VanDerWaalsContact C-N 3.27Å; P516-C518 PolarHBondContact O-N 2.9Å; P516-G519 PolarHBondContact O-N 3.22Å; P516-F520 HydrophobicContact CG-CD1 3.84Å; P516-F520 HydrophobicContact CG-CE1 3.87Å | ||
| 517 | I | 66.7 | Low | 68.6 | Low | 160 Ų | 160 | 74.8 Ų | 74.8 | 82% | 0.821 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -40.2 | -178 | -60.8 | 167.8 | 0 | 0 | 0 | 111.9 | G519 | I517-G519 VanDerWaalsContact C-N 3.27Å; I517-G519 PolarHBondContact O-N 3.25Å |
| 518 | C | 65.5 | Low | 67 | Low | 33 Ų | 33 | 81.5 Ų | 81.5 | 22% | 0.223 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.6 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 114.6 | P516 N522 S523 K524 C525 | P516-C518 VanDerWaalsContact C-N 3.27Å; P516-C518 PolarHBondContact O-N 2.9Å; C518-N522 HydrophobicContact CB-CB 4.5Å; C518-N522 WeakPolarHBondContact CB-OD1 3.31Å; C518-N522 CarbonylContact O-C 3.58Å; C518-N522 VanDerWaalsContact O-C 3.22Å; C518-N522 VanDerWaalsContact O-CA 3.25Å; C518-N522 WeakPolarHBondContact O-CA 3.47Å; C518-S523 PolarHBondContact O-N 3.43Å; C518-K524 WeakPolarHBondContact O-CB 3.38Å; C518-K524 PolarHBondContact O-N 3.13Å; C518-C525 WeakPolarHBondContact CA-SG 3.43Å; C518-C525 HydrophobicContact CB-CB 3.72Å; C518-C525 WeakPolarHBondContact CB-SG 3.49Å; C518-C525 WeakPolarHBondContact SG-CB 3.38Å; C518-C525 CovalentContact SG-SG 2.02Å; C518-C525 PolarHBondContact SG-SG 2.87Å |
| 519 | G | 60.6 | Low | 65.5 | Low | 13 Ų | 13 | 87 Ų | 87 | 13% | 0.134 | 49% | 0.486 | C | S | . | . | trans | 71.8 | 160.1 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P516 I517 D521 N522 | P516-G519 PolarHBondContact O-N 3.22Å; I517-G519 VanDerWaalsContact C-N 3.27Å; I517-G519 PolarHBondContact O-N 3.25Å; G519-D521 PolarHBondContact O-N 3.2Å; G519-N522 PolarHBondContact O-N 3.18Å | ||
| 520 | F | 59.1 | Low | 63.6 | Low | 35 Ų | 35 | 90.9 Ų | 90.9 | 15% | 0.154 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.2 | -176.5 | -66.2 | -76.5 | 0 | 0 | 0 | 113.1 | N249 F283 L284 K285 K515 P516 | N249-F520 VanDerWaalsContact OD1-CB 3.23Å; N249-F520 WeakPolarHBondContact OD1-CB 3.37Å; F283-F520 HydrophobicContact CD1-CB 4.32Å; F283-F520 WeakPolarHBondContact CD1-O 3.46Å; F283-F520 VanDerWaalsContact CE1-O 3.26Å; F283-F520 WeakPolarHBondContact CE1-O 3.21Å; L284-F520 WeakPolarHBondContact O-CE1 3.19Å; K285-F520 HydrophobicContact CB-CE1 4.25Å; K285-F520 HydrophobicContact CD-CZ 4.38Å; K285-F520 HydrophobicContact CG-CE1 3.5Å; K285-F520 HydrophobicContact CG-CZ 3.48Å; K285-F520 VanDerWaalsContact CG-CZ 3.48Å; K515-F520 HydrophobicContact CG-CE2 4.33Å; K515-F520 HydrophobicContact CG-CZ 4.4Å; P516-F520 HydrophobicContact CG-CD1 3.84Å; P516-F520 HydrophobicContact CG-CE1 3.87Å |
| 521 | D | 59.9 | Low | 62.1 | Low | 79 Ų | 79 | 85.6 Ų | 85.6 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 14.8 | -177.9 | 63.2 | -12.3 | 0 | 0 | 0 | 114.6 | F283 G519 S523 | F283-D521 HydrophobicContact CD1-CB 4.41Å; F283-D521 HydrophobicContact CE1-CB 3.6Å; F283-D521 HydrophobicContact CZ-CB 4.45Å; G519-D521 PolarHBondContact O-N 3.2Å; D521-S523 VanDerWaalsContact CG-CB 3.49Å; D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 PolarHBondContact O-N 3.32Å; D521-S523 WeakPolarHBondContact OD1-CB 3.42Å; D521-S523 PolarHBondContact OD1-N 2.87Å; D521-S523 VanDerWaalsContact OD1-N 3.13Å; D521-S523 PolarHBondContact OD1-OG 2.89Å; D521-S523 PolarHBondContact OD2-OG 3.41Å |
| 522 | N | 59.6 | Low | 60.8 | Low | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 56.5 | 10.1 | -170.6 | -77.5 | -14.1 | 0 | 0 | 0 | 115 | L282 C518 G519 K524 C525 | L282-N522 WeakPolarHBondContact CD2-ND2 3.46Å; C518-N522 HydrophobicContact CB-CB 4.5Å; C518-N522 WeakPolarHBondContact CB-OD1 3.31Å; C518-N522 CarbonylContact O-C 3.58Å; C518-N522 VanDerWaalsContact O-C 3.22Å; C518-N522 VanDerWaalsContact O-CA 3.25Å; C518-N522 WeakPolarHBondContact O-CA 3.47Å; G519-N522 PolarHBondContact O-N 3.18Å; N522-K524 PolarHBondContact O-N 3.01Å; N522-K524 VanDerWaalsContact O-N 3.12Å; N522-C525 PolarHBondContact O-N 3.15Å |
| 523 | S | 60.9 | Low | 60 | Low | 83 Ų | 83 | 95 Ų | 95 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.9 | -175.5 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | C518 D521 | C518-S523 PolarHBondContact O-N 3.43Å; D521-S523 VanDerWaalsContact CG-CB 3.49Å; D521-S523 VanDerWaalsContact CG-OG 3.29Å; D521-S523 PolarHBondContact O-N 3.32Å; D521-S523 WeakPolarHBondContact OD1-CB 3.42Å; D521-S523 PolarHBondContact OD1-N 2.87Å; D521-S523 VanDerWaalsContact OD1-N 3.13Å; D521-S523 PolarHBondContact OD1-OG 2.89Å; D521-S523 PolarHBondContact OD2-OG 3.41Å |
| 524 | K | 63.5 | Low | 59.1 | Low | 163 Ų | 163 | 92.7 Ų | 92.7 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.7 | -177.8 | -60.2 | -173 | 175.8 | -176.4 | 0 | 114.1 | C518 N522 | C518-K524 WeakPolarHBondContact O-CB 3.38Å; C518-K524 PolarHBondContact O-N 3.13Å; N522-K524 PolarHBondContact O-N 3.01Å; N522-K524 VanDerWaalsContact O-N 3.12Å |
| 525 | C | 64.4 | Low | 58.7 | Low | 53 Ų | 53 | 98.1 Ų | 98.1 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -90.4 | 133.7 | 178.8 | -90.4 | 0 | 0 | 0 | 0 | 111.7 | C518 N522 S527 | C518-C525 WeakPolarHBondContact CA-SG 3.43Å; C518-C525 HydrophobicContact CB-CB 3.72Å; C518-C525 WeakPolarHBondContact CB-SG 3.49Å; C518-C525 WeakPolarHBondContact SG-CB 3.38Å; C518-C525 CovalentContact SG-SG 2.02Å; C518-C525 PolarHBondContact SG-SG 2.87Å; N522-C525 PolarHBondContact O-N 3.15Å; C525-S527 PolarHBondContact O-N 2.83Å |
| 526 | P | 54.1 | Low | 58.9 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 79% | 0.786 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 117.6 | -173.6 | 25.3 | -31 | 0 | 0 | 0 | 110.3 | K528 | P526-K528 PolarHBondContact O-N 3.33Š|
| 527 | S | 54.5 | Low | 59.1 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 85% | 0.853 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 118.6 | 175 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | C525 | C525-S527 PolarHBondContact O-N 2.83Š|
| 528 | K | 47.3 | Very low | 59.3 | Low | 202 Ų | 202 | 97.4 Ų | 97.4 | 88% | 0.878 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 128.5 | 173.1 | -78.8 | -177.7 | 173.7 | -178.5 | 0 | 111.1 | P526 | P526-K528 PolarHBondContact O-N 3.33Š|
| 529 | E | 47.7 | Very low | 60.1 | Low | 183 Ų | 183 | 100.1 Ų | 100.1 | 86% | 0.855 | 55% | 0.549 | S | S | * | . | trans | 64.6 | 105.7 | 159.1 | -56.9 | -163.3 | 179.4 | 0 | 0 | 119.5 | ||||
| 530 | L | 41.6 | Very low | 61.1 | Low | 144 Ų | 144 | 103.6 Ų | 103.6 | 75% | 0.754 | 56% | 0.564 | S | S | * | * | trans | -89.1 | 105.3 | 169.9 | -151.3 | 85.4 | 0 | 0 | 0 | 109.2 | W533 A534 | L530-W533 HydrophobicContact CD1-CH2 4.26Å; L530-A534 HydrophobicContact CD2-CB 3.81Å; L530-A534 HydrophobicContact CG-CB 4.34Å | ||
| 531 | A | 54 | Low | 62 | Low | 39 Ų | 39 | 104.4 Ų | 104.4 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | trans | -80.1 | 164.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W533 A534 | A531-W533 PolarHBondContact O-N 3.23Å; A531-A534 PolarHBondContact O-N 2.92Å | ||
| 532 | P | 55.9 | Low | 63.2 | Low | 129 Ų | 129 | 104.3 Ų | 104.3 | 84% | 0.838 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -4.8 | -166.3 | -21.3 | 32.1 | 0 | 0 | 0 | 116.8 | A534 | P532-A534 PolarHBondContact O-N 3.39Š|
| 533 | W | 66 | Low | 64.5 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -9.1 | 173.5 | 45.7 | -104.3 | 0 | 0 | 0 | 113.8 | L530 A531 L535 V536 L537 | L530-W533 HydrophobicContact CD1-CH2 4.26Å; A531-W533 PolarHBondContact O-N 3.23Å; W533-L535 VanDerWaalsContact C-N 3.27Å; W533-L535 PolarHBondContact O-N 2.75Å; W533-V536 PolarHBondContact O-N 3.32Å; W533-V536 VanDerWaalsContact O-N 3.13Å; W533-L537 HydrophobicContact CD2-CD1 4.18Å; W533-L537 HydrophobicContact CE3-CB 4.39Å; W533-L537 HydrophobicContact CE3-CD1 3.11Å; W533-L537 HydrophobicContact CE3-CG 3.68Å; W533-L537 HydrophobicContact CH2-CD1 4.29Å; W533-L537 HydrophobicContact CZ3-CD1 3.2Å; W533-L537 HydrophobicContact CZ3-CG 4.22Å; W533-L537 PolarHBondContact O-N 3.22Å |
| 534 | A | 57.9 | Low | 65.7 | Low | 26 Ų | 26 | 105.8 Ų | 105.8 | 22% | 0.215 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -54.2 | -37.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L530 A531 P532 L537 I538 | L530-A534 HydrophobicContact CD2-CB 3.81Å; L530-A534 HydrophobicContact CG-CB 4.34Å; A531-A534 PolarHBondContact O-N 2.92Å; P532-A534 PolarHBondContact O-N 3.39Å; A534-L537 PolarHBondContact O-N 3.5Å; A534-I538 WeakPolarHBondContact O-CD1 3.4Å; A534-I538 WeakPolarHBondContact O-CG1 3.34Å; A534-I538 PolarHBondContact O-N 3.32Å |
| 535 | L | 61.9 | Low | 66.7 | Low | 135 Ų | 135 | 102.1 Ų | 102.1 | 71% | 0.707 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -38.4 | 178.6 | -77.9 | 167.9 | 0 | 0 | 0 | 112.9 | W533 L537 I538 V539 | W533-L535 VanDerWaalsContact C-N 3.27Å; W533-L535 PolarHBondContact O-N 2.75Å; L535-L537 VanDerWaalsContact C-N 3.34Å; L535-I538 HydrophobicContact CD2-CD1 4.45Å; L535-I538 PolarHBondContact O-N 3Å; L535-V539 PolarHBondContact O-N 3.38Å |
| 536 | V | 71.2 | Confident | 67.8 | Low | 94 Ų | 94 | 103.7 Ų | 103.7 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.8 | -39.4 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | W533 I538 V539 I540 | W533-V536 PolarHBondContact O-N 3.32Å; W533-V536 VanDerWaalsContact O-N 3.13Å; V536-I538 VanDerWaalsContact C-N 3.32Å; V536-I538 PolarHBondContact O-N 3.43Å; V536-V539 PolarHBondContact O-N 2.9Å; V536-I540 HydrophobicContact CG1-CD1 3.81Å; V536-I540 HydrophobicContact CG1-CG1 4.46Å; V536-I540 WeakPolarHBondContact O-CB 3.5Å; V536-I540 WeakPolarHBondContact O-CG1 3.48Å; V536-I540 PolarHBondContact O-N 3.3Å |
| 537 | L | 68.2 | Low | 69.5 | Low | 82 Ų | 82 | 105 Ų | 105 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.4 | -26.6 | 173.8 | -70.3 | -163.1 | 0 | 0 | 0 | 113.5 | W533 A534 L535 S541 | W533-L537 HydrophobicContact CD2-CD1 4.18Å; W533-L537 HydrophobicContact CE3-CB 4.39Å; W533-L537 HydrophobicContact CE3-CD1 3.11Å; W533-L537 HydrophobicContact CE3-CG 3.68Å; W533-L537 HydrophobicContact CH2-CD1 4.29Å; W533-L537 HydrophobicContact CZ3-CD1 3.2Å; W533-L537 HydrophobicContact CZ3-CG 4.22Å; W533-L537 PolarHBondContact O-N 3.22Å; A534-L537 PolarHBondContact O-N 3.5Å; L535-L537 VanDerWaalsContact C-N 3.34Å; L537-S541 WeakPolarHBondContact O-CA 3.15Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.41Å; L537-S541 PolarHBondContact O-OG 3.07Å |
| 538 | I | 72.2 | Confident | 71 | Confident | 97 Ų | 97 | 101 Ų | 101 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 173 | -72 | 161 | 0 | 0 | 0 | 110.1 | A534 L535 V536 S541 V542 | A534-I538 WeakPolarHBondContact O-CD1 3.4Å; A534-I538 WeakPolarHBondContact O-CG1 3.34Å; A534-I538 PolarHBondContact O-N 3.32Å; L535-I538 HydrophobicContact CD2-CD1 4.45Å; L535-I538 PolarHBondContact O-N 3Å; V536-I538 VanDerWaalsContact C-N 3.32Å; V536-I538 PolarHBondContact O-N 3.43Å; I538-S541 WeakPolarHBondContact CA-OG 3.49Å; I538-S541 PolarHBondContact O-N 3.45Å; I538-S541 PolarHBondContact O-OG 2.84Å; I538-V542 VanDerWaalsContact O-CG2 3.3Å; I538-V542 WeakPolarHBondContact O-CG2 3.4Å; I538-V542 PolarHBondContact O-N 3.33Å |
| 539 | V | 80.9 | Confident | 72.9 | Confident | 91 Ų | 91 | 95.3 Ų | 95.3 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L535 V536 V542 L543 | L535-V539 PolarHBondContact O-N 3.38Å; V536-V539 PolarHBondContact O-N 2.9Å; V539-V542 PolarHBondContact O-N 3.31Å; V539-L543 HydrophobicContact CG1-CD1 4.27Å; V539-L543 WeakPolarHBondContact O-CG 3.17Å; V539-L543 PolarHBondContact O-N 3.2Å |
| 540 | I | 82.5 | Confident | 74.9 | Confident | 85 Ų | 85 | 91.3 Ų | 91.3 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 175.4 | -65.5 | 173.3 | 0 | 0 | 0 | 110.9 | V536 L543 T544 | V536-I540 HydrophobicContact CG1-CD1 3.81Å; V536-I540 HydrophobicContact CG1-CG1 4.46Å; V536-I540 WeakPolarHBondContact O-CB 3.5Å; V536-I540 WeakPolarHBondContact O-CG1 3.48Å; V536-I540 PolarHBondContact O-N 3.3Å; I540-L543 PolarHBondContact O-N 3.16Å; I540-T544 HydrophobicContact CG2-CG2 4.19Å; I540-T544 WeakPolarHBondContact O-CB 3.29Å; I540-T544 WeakPolarHBondContact O-CG2 3.36Å; I540-T544 PolarHBondContact O-N 3.07Å; I540-T544 PolarHBondContact O-OG1 3.46Å |
| 541 | S | 77.9 | Confident | 77 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | L537 I538 T544 V545 | L537-S541 WeakPolarHBondContact O-CA 3.15Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.41Å; L537-S541 PolarHBondContact O-OG 3.07Å; I538-S541 WeakPolarHBondContact CA-OG 3.49Å; I538-S541 PolarHBondContact O-N 3.45Å; I538-S541 PolarHBondContact O-OG 2.84Å; S541-T544 VanDerWaalsContact CA-OG1 3.25Å; S541-T544 WeakPolarHBondContact CA-OG1 3.3Å; S541-T544 PolarHBondContact O-N 2.74Å; S541-T544 PolarHBondContact O-OG1 3Å; S541-T544 VanDerWaalsContact O-OG1 3.08Å; S541-V545 VanDerWaalsContact O-CB 3.31Å; S541-V545 WeakPolarHBondContact O-CB 3.48Å; S541-V545 WeakPolarHBondContact O-CG2 3.35Å; S541-V545 PolarHBondContact O-N 3.44Å |
| 542 | V | 84.4 | Confident | 78.6 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | I538 V539 V545 I546 | I538-V542 VanDerWaalsContact O-CG2 3.3Å; I538-V542 WeakPolarHBondContact O-CG2 3.4Å; I538-V542 PolarHBondContact O-N 3.33Å; V539-V542 PolarHBondContact O-N 3.31Å; V542-V545 PolarHBondContact O-N 3.15Å; V542-I546 HydrophobicContact CG1-CD1 3.92Å; V542-I546 VanDerWaalsContact O-CG1 3.3Å; V542-I546 WeakPolarHBondContact O-CG1 3.24Å; V542-I546 PolarHBondContact O-N 3.04Å |
| 543 | L | 87.6 | Confident | 80.1 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -38.2 | 177.3 | -72 | 173.3 | 0 | 0 | 0 | 112.6 | V539 I540 I546 F547 | V539-L543 HydrophobicContact CG1-CD1 4.27Å; V539-L543 WeakPolarHBondContact O-CG 3.17Å; V539-L543 PolarHBondContact O-N 3.2Å; I540-L543 PolarHBondContact O-N 3.16Å; L543-I546 PolarHBondContact O-N 2.94Å; L543-F547 VanDerWaalsContact O-CB 3.29Å; L543-F547 WeakPolarHBondContact O-CB 3.25Å; L543-F547 PolarHBondContact O-N 3.17Å |
| 544 | T | 85 | Confident | 81 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.6 | -31.1 | 175.7 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | I540 S541 G548 | I540-T544 HydrophobicContact CG2-CG2 4.19Å; I540-T544 WeakPolarHBondContact O-CB 3.29Å; I540-T544 WeakPolarHBondContact O-CG2 3.36Å; I540-T544 PolarHBondContact O-N 3.07Å; I540-T544 PolarHBondContact O-OG1 3.46Å; S541-T544 VanDerWaalsContact CA-OG1 3.25Å; S541-T544 WeakPolarHBondContact CA-OG1 3.3Å; S541-T544 PolarHBondContact O-N 2.74Å; S541-T544 PolarHBondContact O-OG1 3Å; S541-T544 VanDerWaalsContact O-OG1 3.08Å; T544-G548 WeakPolarHBondContact O-CA 3.36Å; T544-G548 PolarHBondContact O-N 3.49Å |
| 545 | V | 85.4 | Confident | 82.3 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 170.2 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | S541 V542 G548 I549 | S541-V545 VanDerWaalsContact O-CB 3.31Å; S541-V545 WeakPolarHBondContact O-CB 3.48Å; S541-V545 WeakPolarHBondContact O-CG2 3.35Å; S541-V545 PolarHBondContact O-N 3.44Å; V542-V545 PolarHBondContact O-N 3.15Å; V545-G548 CarbonylContact O-C 3.22Å; V545-G548 PolarHBondContact O-N 2.9Å; V545-I549 HydrophobicContact CG1-CD1 3.74Å; V545-I549 HydrophobicContact CG1-CG1 4.37Å; V545-I549 WeakPolarHBondContact O-CB 3.33Å; V545-I549 WeakPolarHBondContact O-CG1 3.32Å; V545-I549 PolarHBondContact O-N 3.26Å |
| 546 | I | 87.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 176.4 | -67.6 | 168 | 0 | 0 | 0 | 110.5 | V542 L543 G548 I549 I550 | V542-I546 HydrophobicContact CG1-CD1 3.92Å; V542-I546 VanDerWaalsContact O-CG1 3.3Å; V542-I546 WeakPolarHBondContact O-CG1 3.24Å; V542-I546 PolarHBondContact O-N 3.04Å; L543-I546 PolarHBondContact O-N 2.94Å; I546-G548 VanDerWaalsContact C-N 3.31Å; I546-G548 PolarHBondContact O-N 3.33Å; I546-I549 PolarHBondContact O-N 3.19Å; I546-I550 HydrophobicContact CG2-CD1 3.95Å; I546-I550 WeakPolarHBondContact O-CG1 3.42Å; I546-I550 PolarHBondContact O-N 3.34Å |
| 547 | F | 89.5 | Confident | 83.9 | Confident | 149 Ų | 149 | 93.8 Ų | 93.8 | 65% | 0.654 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 175.6 | -173.1 | -98.1 | 0 | 0 | 0 | 111.7 | L543 I550 S551 | L543-F547 VanDerWaalsContact O-CB 3.29Å; L543-F547 WeakPolarHBondContact O-CB 3.25Å; L543-F547 PolarHBondContact O-N 3.17Å; F547-I550 PolarHBondContact O-N 3.2Å; F547-S551 WeakPolarHBondContact O-CB 3.32Å; F547-S551 PolarHBondContact O-N 3.32Å |
| 548 | G | 86.8 | Confident | 84.5 | Confident | 37 Ų | 37 | 97.5 Ų | 97.5 | 38% | 0.381 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T544 V545 I546 F552 | T544-G548 WeakPolarHBondContact O-CA 3.36Å; T544-G548 PolarHBondContact O-N 3.49Å; V545-G548 CarbonylContact O-C 3.22Å; V545-G548 PolarHBondContact O-N 2.9Å; I546-G548 VanDerWaalsContact C-N 3.31Å; I546-G548 PolarHBondContact O-N 3.33Å; G548-F552 WeakPolarHBondContact O-CB 3.43Å; G548-F552 PolarHBondContact O-N 3.06Å |
| 549 | I | 87.6 | Confident | 84.9 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 43% | 0.431 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 175 | -70 | 166.1 | 0 | 0 | 0 | 110.4 | V545 I546 F552 F553 | V545-I549 HydrophobicContact CG1-CD1 3.74Å; V545-I549 HydrophobicContact CG1-CG1 4.37Å; V545-I549 WeakPolarHBondContact O-CB 3.33Å; V545-I549 WeakPolarHBondContact O-CG1 3.32Å; V545-I549 PolarHBondContact O-N 3.26Å; I546-I549 PolarHBondContact O-N 3.19Å; I549-F552 WeakPolarHBondContact O-CB 3.44Å; I549-F552 PolarHBondContact O-N 3.22Å; I549-F553 HydrophobicContact CG2-CD2 3.63Å; I549-F553 HydrophobicContact CG2-CE2 3.42Å; I549-F553 VanDerWaalsContact CG2-CE2 3.42Å; I549-F553 WeakPolarHBondContact O-CD2 3.48Å; I549-F553 PolarHBondContact O-N 3.45Å |
| 550 | I | 87.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 97 Ų | 97 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 177.5 | -66 | 169.8 | 0 | 0 | 0 | 110.3 | I546 F547 F552 F553 V554 | I546-I550 HydrophobicContact CG2-CD1 3.95Å; I546-I550 WeakPolarHBondContact O-CG1 3.42Å; I546-I550 PolarHBondContact O-N 3.34Å; F547-I550 PolarHBondContact O-N 3.2Å; I550-F552 VanDerWaalsContact C-N 3.3Å; I550-F552 PolarHBondContact O-N 2.87Å; I550-F553 PolarHBondContact O-N 3.42Å; I550-F553 VanDerWaalsContact O-N 3.17Å; I550-V554 HydrophobicContact CG2-CG2 4.3Å; I550-V554 WeakPolarHBondContact O-CB 3.5Å; I550-V554 VanDerWaalsContact O-CG2 3.31Å; I550-V554 WeakPolarHBondContact O-CG2 3.48Å; I550-V554 PolarHBondContact O-N 2.84Å |
| 551 | S | 86.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 95 Ų | 95 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | F547 F555 | F547-S551 WeakPolarHBondContact O-CB 3.32Å; F547-S551 PolarHBondContact O-N 3.32Å; S551-F555 WeakPolarHBondContact O-CA 3.48Å; S551-F555 WeakPolarHBondContact O-CB 3.42Å; S551-F555 PolarHBondContact O-N 2.61Å |
| 552 | F | 87.2 | Confident | 84.4 | Confident | 114 Ų | 114 | 95.1 Ų | 95.1 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 172 | 173.9 | -96.4 | 0 | 0 | 0 | 112.2 | G548 I549 I550 R556 | G548-F552 WeakPolarHBondContact O-CB 3.43Å; G548-F552 PolarHBondContact O-N 3.06Å; I549-F552 WeakPolarHBondContact O-CB 3.44Å; I549-F552 PolarHBondContact O-N 3.22Å; I550-F552 VanDerWaalsContact C-N 3.3Å; I550-F552 PolarHBondContact O-N 2.87Å; F552-R556 WeakPolarHBondContact O-CB 3.29Å; F552-R556 PolarHBondContact O-N 3.16Å |
| 553 | F | 87.6 | Confident | 83.8 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 176.9 | -79.2 | -66.2 | 0 | 0 | 0 | 112 | I549 I550 R556 H557 | I549-F553 HydrophobicContact CG2-CD2 3.63Å; I549-F553 HydrophobicContact CG2-CE2 3.42Å; I549-F553 VanDerWaalsContact CG2-CE2 3.42Å; I549-F553 WeakPolarHBondContact O-CD2 3.48Å; I549-F553 PolarHBondContact O-N 3.45Å; I550-F553 PolarHBondContact O-N 3.42Å; I550-F553 VanDerWaalsContact O-N 3.17Å; F553-R556 PolarHBondContact O-N 2.93Å; F553-H557 VanDerWaalsContact O-CB 3.3Å; F553-H557 WeakPolarHBondContact O-CB 3.45Å; F553-H557 PolarHBondContact O-N 3.03Å |
| 554 | V | 85.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 90.6 Ų | 90.6 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | I550 R556 H557 Y558 | I550-V554 HydrophobicContact CG2-CG2 4.3Å; I550-V554 WeakPolarHBondContact O-CB 3.5Å; I550-V554 VanDerWaalsContact O-CG2 3.31Å; I550-V554 WeakPolarHBondContact O-CG2 3.48Å; I550-V554 PolarHBondContact O-N 2.84Å; V554-R556 PolarHBondContact O-N 2.78Å; V554-H557 WeakPolarHBondContact O-CB 3.29Å; V554-H557 PolarHBondContact O-N 2.89Å; V554-Y558 HydrophobicContact CG1-CD2 3.55Å; V554-Y558 HydrophobicContact CG1-CE2 3.63Å; V554-Y558 WeakPolarHBondContact O-CB 3.4Å; V554-Y558 VanDerWaalsContact O-CD2 3.31Å; V554-Y558 WeakPolarHBondContact O-CD2 3.26Å; V554-Y558 PolarHBondContact O-N 2.93Å |
| 555 | F | 85.7 | Confident | 82.2 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 55% | 0.548 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 175.4 | 177.6 | -100.5 | 0 | 0 | 0 | 111.5 | S551 H557 Y558 K559 | S551-F555 WeakPolarHBondContact O-CA 3.48Å; S551-F555 WeakPolarHBondContact O-CB 3.42Å; S551-F555 PolarHBondContact O-N 2.61Å; F555-H557 VanDerWaalsContact C-N 3.32Å; F555-H557 PolarHBondContact O-N 3.24Å; F555-Y558 PolarHBondContact O-N 2.84Å; F555-K559 HydrophobicContact CE1-CD 4.04Å; F555-K559 HydrophobicContact CZ-CD 4.31Å; F555-K559 WeakPolarHBondContact O-CB 3.34Å; F555-K559 PolarHBondContact O-N 2.94Å |
| 556 | R | 83.3 | Confident | 81.6 | Confident | 159 Ų | 159 | 95.7 Ų | 95.7 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 175 | -170 | -178.5 | 176.1 | -175.9 | -0.1 | 110.7 | F552 F553 V554 L560 | F552-R556 WeakPolarHBondContact O-CB 3.29Å; F552-R556 PolarHBondContact O-N 3.16Å; F553-R556 PolarHBondContact O-N 2.93Å; V554-R556 PolarHBondContact O-N 2.78Å; R556-L560 VanDerWaalsContact O-CB 3.26Å; R556-L560 WeakPolarHBondContact O-CB 3.23Å; R556-L560 PolarHBondContact O-N 3.37Å |
| 557 | H | 82.4 | Confident | 81.1 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 174.3 | -174.1 | -85.6 | 0 | 0 | 0 | 111.6 | F553 V554 F555 K559 L560 E561 | F553-H557 VanDerWaalsContact O-CB 3.3Å; F553-H557 WeakPolarHBondContact O-CB 3.45Å; F553-H557 PolarHBondContact O-N 3.03Å; V554-H557 WeakPolarHBondContact O-CB 3.29Å; V554-H557 PolarHBondContact O-N 2.89Å; F555-H557 VanDerWaalsContact C-N 3.32Å; F555-H557 PolarHBondContact O-N 3.24Å; H557-K559 PolarHBondContact O-N 3.45Å; H557-L560 PolarHBondContact O-N 2.97Å; H557-E561 WeakPolarHBondContact O-CB 3.42Å; H557-E561 WeakPolarHBondContact O-CG 3.47Å; H557-E561 PolarHBondContact O-N 2.96Å |
| 558 | Y | 81.1 | Confident | 80.6 | Confident | 160 Ų | 160 | 91 Ų | 91 | 63% | 0.627 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 176.1 | -90.5 | -72.1 | 0 | 0 | 0 | 112.6 | V554 F555 E561 A562 | V554-Y558 HydrophobicContact CG1-CD2 3.55Å; V554-Y558 HydrophobicContact CG1-CE2 3.63Å; V554-Y558 WeakPolarHBondContact O-CB 3.4Å; V554-Y558 VanDerWaalsContact O-CD2 3.31Å; V554-Y558 WeakPolarHBondContact O-CD2 3.26Å; V554-Y558 PolarHBondContact O-N 2.93Å; F555-Y558 PolarHBondContact O-N 2.84Å; Y558-E561 PolarHBondContact O-N 3.17Å; Y558-A562 VanDerWaalsContact O-CB 3.23Å; Y558-A562 WeakPolarHBondContact O-CB 3.5Å; Y558-A562 PolarHBondContact O-N 2.99Å |
| 559 | K | 81.2 | Confident | 80.4 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 47% | 0.474 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.8 | -175.5 | 175.9 | 178.4 | -180 | 0 | 111.1 | F555 H557 A562 E563 | F555-K559 HydrophobicContact CE1-CD 4.04Å; F555-K559 HydrophobicContact CZ-CD 4.31Å; F555-K559 WeakPolarHBondContact O-CB 3.34Å; F555-K559 PolarHBondContact O-N 2.94Å; H557-K559 PolarHBondContact O-N 3.45Å; K559-A562 PolarHBondContact O-N 3.16Å; K559-E563 WeakPolarHBondContact CE-OE1 3.42Å; K559-E563 HydrophobicContact CG-CG 4.49Å; K559-E563 WeakPolarHBondContact O-CB 3.37Å; K559-E563 VanDerWaalsContact O-CG 3.3Å; K559-E563 WeakPolarHBondContact O-CG 3.25Å; K559-E563 PolarHBondContact O-N 3.02Å |
| 560 | L | 73.6 | Confident | 80.4 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.2 | -164.2 | 88.7 | 0 | 0 | 0 | 111.3 | R556 H557 E563 L564 | R556-L560 VanDerWaalsContact O-CB 3.26Å; R556-L560 WeakPolarHBondContact O-CB 3.23Å; R556-L560 PolarHBondContact O-N 3.37Å; H557-L560 PolarHBondContact O-N 2.97Å; L560-E563 PolarHBondContact O-N 3.39Å; L560-L564 HydrophobicContact CG-CD1 4.43Å; L560-L564 WeakPolarHBondContact O-CB 3.4Å; L560-L564 WeakPolarHBondContact O-CD1 3.27Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.46Å; L560-L564 PolarHBondContact O-N 3.46Å |
| 561 | E | 78.2 | Confident | 80.3 | Confident | 43 Ų | 43 | 84.7 Ų | 84.7 | 20% | 0.201 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.2 | -80.5 | -96.3 | 147.9 | 0 | 0 | 112 | H557 Y558 L564 R565 R663 | H557-E561 WeakPolarHBondContact O-CB 3.42Å; H557-E561 WeakPolarHBondContact O-CG 3.47Å; H557-E561 PolarHBondContact O-N 2.96Å; Y558-E561 PolarHBondContact O-N 3.17Å; E561-L564 PolarHBondContact O-N 2.89Å; E561-R565 WeakPolarHBondContact O-CG 2.97Å; E561-R565 PolarHBondContact O-N 3.37Å; E561-R565 IonicContact OE2-CZ 3.92Å; E561-R565 IonicContact OE2-NE 3.51Å; E561-R565 IonicContact OE2-NH2 3.95Å; E561-R565 PolarHBondContact OE2-NH2 3.27Å; E561-R663 IonicContact OE1-CZ 2.65Å; E561-R663 IonicContact OE1-NH1 2.8Å; E561-R663 PolarHBondContact OE1-NH1 3.38Å |
| 562 | A | 78.2 | Confident | 80.3 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 45% | 0.446 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y558 K559 L564 R565 T566 | Y558-A562 VanDerWaalsContact O-CB 3.23Å; Y558-A562 WeakPolarHBondContact O-CB 3.5Å; Y558-A562 PolarHBondContact O-N 2.99Å; K559-A562 PolarHBondContact O-N 3.16Å; A562-L564 VanDerWaalsContact C-N 3.33Å; A562-L564 PolarHBondContact O-N 3.29Å; A562-R565 PolarHBondContact O-N 3.34Å; A562-R565 VanDerWaalsContact O-N 3.14Å; A562-T566 WeakPolarHBondContact O-CG2 3.03Å; A562-T566 PolarHBondContact O-N 2.72Å; A562-T566 VanDerWaalsContact O-N 3.1Å |
| 563 | E | 72.7 | Confident | 80.2 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 34% | 0.341 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 177.1 | -73.8 | 176.6 | -172.3 | 0 | 0 | 112 | K559 L560 R565 T566 K670 | K559-E563 WeakPolarHBondContact CE-OE1 3.42Å; K559-E563 HydrophobicContact CG-CG 4.49Å; K559-E563 WeakPolarHBondContact O-CB 3.37Å; K559-E563 VanDerWaalsContact O-CG 3.3Å; K559-E563 WeakPolarHBondContact O-CG 3.25Å; K559-E563 PolarHBondContact O-N 3.02Å; L560-E563 PolarHBondContact O-N 3.39Å; E563-R565 VanDerWaalsContact C-N 3.32Å; E563-R565 PolarHBondContact O-N 2.9Å; E563-T566 PolarHBondContact O-N 3.02Å; E563-T566 PolarHBondContact O-OG1 2.96Å; E563-K670 IonicContact OE2-NZ 3.92Å; E563-K670 PolarHBondContact OE2-NZ 3.21Å |
| 564 | L | 71.4 | Confident | 79.9 | Confident | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.099 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 173.8 | -75.5 | 164 | 0 | 0 | 0 | 111.9 | L560 E561 A562 L666 L667 K670 | L560-L564 HydrophobicContact CG-CD1 4.43Å; L560-L564 WeakPolarHBondContact O-CB 3.4Å; L560-L564 WeakPolarHBondContact O-CD1 3.27Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.46Å; L560-L564 PolarHBondContact O-N 3.46Å; E561-L564 PolarHBondContact O-N 2.89Å; A562-L564 VanDerWaalsContact C-N 3.33Å; A562-L564 PolarHBondContact O-N 3.29Å; L564-L666 HydrophobicContact CD2-CB 4.09Å; L564-L667 HydrophobicContact CD1-CD2 3.99Å; L564-L667 HydrophobicContact CD2-CD2 4.14Å; L564-L667 HydrophobicContact CD2-CG 4.48Å; L564-K670 HydrophobicContact CD2-CB 4.13Å; L564-K670 HydrophobicContact CD2-CD 3.73Å; L564-K670 HydrophobicContact CG-CD 4.09Å |
| 565 | R | 67.6 | Low | 79.8 | Confident | 182 Ų | 182 | 83.1 Ų | 83.1 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.9 | -23.2 | 177.6 | -70.4 | -178.6 | -150.7 | -172.6 | 6.1 | 114.2 | E561 A562 E563 M567 | E561-R565 WeakPolarHBondContact O-CG 2.97Å; E561-R565 PolarHBondContact O-N 3.37Å; E561-R565 IonicContact OE2-CZ 3.92Å; E561-R565 IonicContact OE2-NE 3.51Å; E561-R565 IonicContact OE2-NH2 3.95Å; E561-R565 PolarHBondContact OE2-NH2 3.27Å; A562-R565 PolarHBondContact O-N 3.34Å; A562-R565 VanDerWaalsContact O-N 3.14Å; E563-R565 VanDerWaalsContact C-N 3.32Å; E563-R565 PolarHBondContact O-N 2.9Å; R565-M567 PolarHBondContact O-N 2.72Å; R565-M567 VanDerWaalsContact O-N 3.09Å |
| 566 | T | 72.9 | Confident | 79.4 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 57% | 0.571 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.8 | 177.7 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | A562 E563 S568 | A562-T566 WeakPolarHBondContact O-CG2 3.03Å; A562-T566 PolarHBondContact O-N 2.72Å; A562-T566 VanDerWaalsContact O-N 3.1Å; E563-T566 PolarHBondContact O-N 3.02Å; E563-T566 PolarHBondContact O-OG1 2.96Å; T566-S568 PolarHBondContact O-N 3.32Å |
| 567 | M | 75.3 | Confident | 78.7 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | trans | 43.6 | 36.8 | -178.1 | -64.7 | -169.1 | 179.3 | 0 | 0 | 112.7 | R565 W569 R570 L661 | R565-M567 PolarHBondContact O-N 2.72Å; R565-M567 VanDerWaalsContact O-N 3.09Å; M567-W569 PolarHBondContact O-N 3.11Å; M567-R570 HydrophobicContact CB-CB 4.21Å; M567-R570 VanDerWaalsContact O-CB 3.24Å; M567-R570 WeakPolarHBondContact O-CB 3.41Å; M567-R570 PolarHBondContact O-N 3.1Å; M567-L661 HydrophobicContact CE-CD1 3.91Å; M567-L661 HydrophobicContact SD-CD1 4.45Å | ||
| 568 | S | 78.9 | Confident | 77.5 | Confident | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.5 | -169.6 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | T566 K673 | T566-S568 PolarHBondContact O-N 3.32Å; S568-K673 PolarHBondContact O-NZ 3.42Å; S568-K673 PolarHBondContact OG-NZ 3.42Å |
| 569 | W | 84.1 | Confident | 75.8 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 3% | 0.03 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.6 | 172.5 | 57 | -98.3 | 0 | 0 | 0 | 113.2 | M567 I571 L661 L666 L669 K673 F683 G685 A686 I688 | M567-W569 PolarHBondContact O-N 3.11Å; W569-I571 PolarHBondContact O-N 3.42Å; W569-L661 HydrophobicContact CH2-CD1 4.29Å; W569-L661 HydrophobicContact CH2-CD2 3.69Å; W569-L661 HydrophobicContact CZ2-CD1 4.35Å; W569-L661 HydrophobicContact CZ2-CD2 3.89Å; W569-L666 HydrophobicContact CZ2-CD2 3.63Å; W569-L669 HydrophobicContact CD2-CB 4.16Å; W569-L669 HydrophobicContact CD2-CD1 3.92Å; W569-L669 HydrophobicContact CD2-CD2 4.48Å; W569-L669 HydrophobicContact CD2-CG 4.43Å; W569-L669 HydrophobicContact CE3-CD1 3.92Å; W569-L669 HydrophobicContact CE3-CD2 4.25Å; W569-L669 HydrophobicContact CG-CB 4.15Å; W569-L669 HydrophobicContact CH2-CD1 3.72Å; W569-L669 HydrophobicContact CZ2-CD1 3.7Å; W569-L669 HydrophobicContact CZ3-CD1 3.83Å; W569-K673 HydrophobicContact CB-CD 4.05Å; W569-F683 HydrophobicContact CB-CE1 4.23Å; W569-G685 CarbonylContact O-C 3.58Å; W569-G685 WeakPolarHBondContact O-CA 3.2Å; W569-A686 HydrophobicContact CE3-CB 4.19Å; W569-A686 HydrophobicContact CZ3-CB 4.29Å; W569-A686 PolarHBondContact O-N 2.97Å; W569-I688 HydrophobicContact CH2-CD1 3.97Å; W569-I688 HydrophobicContact CH2-CG1 4.46Å; W569-I688 HydrophobicContact CH2-CG2 4.4Å; W569-I688 HydrophobicContact CZ3-CD1 4.48Å; W569-I688 HydrophobicContact CZ3-CG2 4.19Å |
| 570 | R | 86.6 | Confident | 73.7 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 128.3 | -175.6 | -175.2 | 176.8 | -179.9 | 175.7 | 1 | 109.9 | M567 I688 D689 | M567-R570 HydrophobicContact CB-CB 4.21Å; M567-R570 VanDerWaalsContact O-CB 3.24Å; M567-R570 WeakPolarHBondContact O-CB 3.41Å; M567-R570 PolarHBondContact O-N 3.1Å; R570-I688 HydrophobicContact CG-CG1 4.41Å; R570-D689 IonicContact CZ-OD1 3.38Å; R570-D689 IonicContact NE-OD1 3.66Å; R570-D689 IonicContact NH2-OD1 3.17Å; R570-D689 PolarHBondContact NH2-OD1 2.64Å |
| 571 | I | 87 | Confident | 72 | Confident | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | trans | -115.8 | 129.2 | 173.2 | -62.7 | 172.4 | 0 | 0 | 0 | 107.6 | W569 E575 L576 Y642 V684 A686 C687 V696 | W569-I571 PolarHBondContact O-N 3.42Å; I571-E575 HydrophobicContact CG2-CB 4.43Å; I571-L576 HydrophobicContact CG2-CD1 3.82Å; I571-L576 HydrophobicContact CG2-CD2 4.09Å; I571-L576 HydrophobicContact CG2-CG 3.7Å; I571-Y642 HydrophobicContact CB-CE2 4.37Å; I571-Y642 HydrophobicContact CD1-CE1 4.24Å; I571-Y642 HydrophobicContact CD1-CE2 4.25Å; I571-Y642 HydrophobicContact CG1-CE1 4.47Å; I571-Y642 HydrophobicContact CG1-CE2 4.03Å; I571-Y642 HydrophobicContact CG2-CD2 3.92Å; I571-Y642 HydrophobicContact CG2-CE2 3.57Å; I571-V684 HydrophobicContact CD1-CG1 4.12Å; I571-A686 PolarHBondContact N-O 3.33Å; I571-C687 WeakPolarHBondContact O-CA 3.37Å; I571-C687 WeakPolarHBondContact O-CB 3.47Å; I571-C687 PolarHBondContact O-SG 2.94Å; I571-V696 HydrophobicContact CD1-CB 3.87Å; I571-V696 HydrophobicContact CD1-CG1 4.16Å; I571-V696 HydrophobicContact CD1-CG2 3.93Å | ||
| 572 | F | 85.5 | Confident | 69.8 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | trans | -79.7 | 143.7 | 173.4 | -65.7 | -79.3 | 0 | 0 | 0 | 110.4 | D574 E575 D689 | F572-D574 PolarHBondContact O-N 2.93Å; F572-E575 WeakPolarHBondContact O-CB 3.42Å; F572-E575 PolarHBondContact O-N 3.04Å; F572-D689 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 573 | W | 85.2 | Confident | 67.7 | Low | 68 Ų | 68 | 92.7 Ų | 92.7 | 26% | 0.258 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.1 | -36.5 | -179.2 | -178.4 | -108.6 | 0 | 0 | 0 | 112.8 | E575 L576 S577 M651 D689 H692 | W573-E575 PolarHBondContact O-N 3.25Å; W573-L576 HydrophobicContact CE3-CD1 4.26Å; W573-L576 WeakPolarHBondContact O-CB 3.16Å; W573-L576 PolarHBondContact O-N 3.47Å; W573-S577 PolarHBondContact O-N 2.82Å; W573-S577 PolarHBondContact O-OG 2.86Å; W573-M651 HydrophobicContact CH2-CE 3.86Å; W573-M651 HydrophobicContact CH2-SD 4.01Å; W573-M651 HydrophobicContact CZ3-CE 3.92Å; W573-M651 HydrophobicContact CZ3-SD 3.9Å; W573-D689 PolarHBondContact N-OD2 2.9Å; W573-D689 VanDerWaalsContact N-OD2 3.14Å; W573-H692 AromaticContact CD1-CD2 3.52Å; W573-H692 HydrophobicContact CD2-CB 3.54Å; W573-H692 AromaticContact CD2-CD2 3.73Å; W573-H692 AromaticContact CD2-CG 3.66Å; W573-H692 AromaticContact CE2-CD2 3.56Å; W573-H692 AromaticContact CE2-CG 3.6Å; W573-H692 AromaticContact CE2-NE2 3.99Å; W573-H692 HydrophobicContact CE3-CB 3.46Å; W573-H692 VanDerWaalsContact CE3-CB 3.46Å; W573-H692 HydrophobicContact CG-CB 4.03Å; W573-H692 AromaticContact CG-CD2 3.71Å; W573-H692 HydrophobicContact CH2-CB 4.28Å; W573-H692 HydrophobicContact CZ2-CB 4.36Å; W573-H692 AromaticContact CZ2-CG 3.92Å; W573-H692 AromaticContact CZ2-ND1 3.93Å; W573-H692 HydrophobicContact CZ3-CB 3.85Å; W573-H692 AromaticContact NE1-CD2 3.4Å; W573-H692 PolarHBondContact NE1-CD2 2.83Å; W573-H692 AromaticContact NE1-CG 3.95Å; W573-H692 AromaticContact NE1-NE2 3.66Å |
| 574 | D | 82.2 | Confident | 65.7 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -27 | 177.5 | -63.8 | -15.7 | 0 | 0 | 0 | 113.4 | F572 L576 | F572-D574 PolarHBondContact O-N 2.93Å; D574-L576 VanDerWaalsContact C-N 3.31Å |
| 575 | E | 82.1 | Confident | 63.8 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 34% | 0.341 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.2 | -19.4 | 175.1 | -68.6 | -177.2 | -138.2 | 0 | 0 | 112.5 | I571 F572 W573 Y642 R643 | I571-E575 HydrophobicContact CG2-CB 4.43Å; F572-E575 WeakPolarHBondContact O-CB 3.42Å; F572-E575 PolarHBondContact O-N 3.04Å; W573-E575 PolarHBondContact O-N 3.25Å; E575-Y642 HydrophobicContact CB-CD2 4.06Å; E575-Y642 HydrophobicContact CB-CE2 3.81Å; E575-Y642 WeakPolarHBondContact OE2-CE2 3.4Å; E575-Y642 PolarHBondContact OE2-OH 3.07Å; E575-R643 IonicContact OE2-NE 3.84Å; E575-R643 IonicContact OE2-NH2 3.78Å |
| 576 | L | 78.7 | Confident | 62.1 | Low | 13 Ų | 13 | 111.3 Ų | 111.3 | 7% | 0.068 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -95.8 | -33.6 | 177.6 | -65.1 | 167.4 | 0 | 0 | 0 | 112.1 | I571 W573 D574 A640 Y642 V647 V649 C687 V696 | I571-L576 HydrophobicContact CG2-CD1 3.82Å; I571-L576 HydrophobicContact CG2-CD2 4.09Å; I571-L576 HydrophobicContact CG2-CG 3.7Å; W573-L576 HydrophobicContact CE3-CD1 4.26Å; W573-L576 WeakPolarHBondContact O-CB 3.16Å; W573-L576 PolarHBondContact O-N 3.47Å; D574-L576 VanDerWaalsContact C-N 3.31Å; L576-A640 HydrophobicContact CB-CB 4.16Å; L576-A640 HydrophobicContact CD2-CB 3.92Å; L576-Y642 HydrophobicContact CD2-CD2 4.13Å; L576-Y642 HydrophobicContact CD2-CG 4.44Å; L576-V647 HydrophobicContact CD2-CG2 4.16Å; L576-V649 HydrophobicContact CD2-CG2 4.43Å; L576-C687 HydrophobicContact CD1-CB 4.45Å; L576-V696 HydrophobicContact CD1-CG2 3.98Å; L576-V696 HydrophobicContact CD2-CG1 4.45Å; L576-V696 HydrophobicContact CD2-CG2 4.16Å |
| 577 | S | 67 | Low | 60 | Low | 48 Ų | 48 | 116.8 Ų | 116.8 | 34% | 0.336 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -83.9 | -8 | -173.8 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | W573 Q579 | W573-S577 PolarHBondContact O-N 2.82Å; W573-S577 PolarHBondContact O-OG 2.86Å; S577-Q579 PolarHBondContact O-N 3.37Å; S577-Q579 VanDerWaalsContact O-N 3.13Å |
| 578 | G | 57.4 | Low | 57.9 | Low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | 70.9 | -0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K580 | G578-K580 PolarHBondContact O-N 3.43Š| ||
| 579 | Q | 46.8 | Very low | 55.6 | Low | 153 Ų | 153 | 126.6 Ų | 126.6 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | trans | -89.2 | 83.4 | 178.7 | -71.8 | -162.5 | -28.8 | 0 | 0 | 111.6 | S577 K581 | S577-Q579 PolarHBondContact O-N 3.37Å; S577-Q579 VanDerWaalsContact O-N 3.13Å; Q579-K581 PolarHBondContact O-N 2.97Å | ||
| 580 | K | 37 | Very low | 53.1 | Low | 196 Ų | 196 | 133.8 Ų | 133.8 | 85% | 0.852 | 63% | 0.629 | S | S | * | * | trans | -74 | 109.5 | 167.3 | -76.8 | -173.3 | 177.6 | 179.1 | 0 | 110.3 | G578 H582 | G578-K580 PolarHBondContact O-N 3.43Å; K580-H582 PolarHBondContact O-N 3.16Å | ||
| 581 | K | 38.2 | Very low | 50.7 | Low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 65% | 0.646 | S | S | * | * | trans | -54.8 | 118.6 | 162.1 | -86.1 | -179.7 | 175.6 | 172.2 | 0 | 109.7 | Q579 N583 | Q579-K581 PolarHBondContact O-N 2.97Å; K581-N583 PolarHBondContact O-N 2.84Å; K581-N583 VanDerWaalsContact O-N 3.09Å | ||
| 582 | H | 30.6 | Very low | 48.2 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | trans | -60.8 | 104.1 | 169.7 | -109.5 | -96.2 | 0 | 0 | 0 | 109.8 | K580 | K580-H582 PolarHBondContact O-N 3.16Š| ||
| 583 | N | 34 | Very low | 45.8 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -123 | 126.8 | 159.3 | -101.5 | -15.5 | 0 | 0 | 0 | 110.3 | K581 | K581-N583 PolarHBondContact O-N 2.84Å; K581-N583 VanDerWaalsContact O-N 3.09Å | ||
| 584 | K | 31.6 | Very low | 43.2 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -56.5 | 155.9 | -174.4 | -72.8 | 163.9 | 171.5 | 170.5 | 0 | 111.6 | ||||
| 585 | Y | 31.2 | Very low | 40.8 | Very low | 223 Ų | 223 | 150.3 Ų | 150.3 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | trans | 94.6 | 70.1 | 176 | -63 | -88.1 | 0 | 0 | 0 | 117.5 | ||||
| 586 | R | 31.8 | Very low | 38.5 | Very low | 254 Ų | 254 | 156.3 Ų | 156.3 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | -178.3 | 105.3 | 121.1 | -102.1 | 169.4 | 111.4 | 159.1 | -0.9 | 110.4 | |||||
| 587 | K | 29.8 | Very low | 36.4 | Very low | 207 Ų | 207 | 162.6 Ų | 162.6 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 126.6 | 164 | -87.4 | 179.9 | 171.7 | 177.2 | 0 | 108.9 | ||||
| 588 | R | 29.7 | Very low | 34.9 | Very low | 247 Ų | 247 | 167.9 Ų | 167.9 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | 159.8 | 131.3 | 124.9 | -94.1 | 175.5 | 166 | 153.6 | -4.4 | 110.5 | |||||
| 589 | A | 31.7 | Very low | 33.8 | Very low | 94 Ų | 94 | 171.3 Ų | 171.3 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 73.7 | 94 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 590 | D | 31.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 171.4 Ų | 171.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 142.6 | 75.1 | 148.2 | -83.2 | -9.2 | 0 | 0 | 0 | 111.8 | ||||
| 591 | S | 34.7 | Very low | 33.2 | Very low | 94 Ų | 94 | 171.5 Ų | 171.5 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -164.3 | 33.1 | 166.9 | -86.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 592 | K | 34.4 | Very low | 32.9 | Very low | 212 Ų | 212 | 173.9 Ų | 173.9 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -10.4 | 173.1 | -80 | -171.6 | 177.2 | -177.5 | 0 | 114.9 | ||
| 593 | A | 35 | Very low | 32.9 | Very low | 93 Ų | 93 | 169.4 Ų | 169.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -13.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 594 | F | 32.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 171 Ų | 171 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -12.5 | -174.2 | -146.2 | -99.3 | 0 | 0 | 0 | 113.8 | ||
| 595 | H | 30.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 167.4 Ų | 167.4 | 59% | 0.593 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -89.9 | -10 | -176.2 | -154.1 | -72.9 | 0 | 0 | 0 | 114.2 | E599 | H595-E599 IonicContact CE1-OE2 3.56Å; H595-E599 PolarHBondContact CE1-OE2 3.4Å; H595-E599 IonicContact ND1-OE2 3.92Å; H595-E599 PolarHBondContact ND1-OE2 3.35Å |
| 596 | W | 34.7 | Very low | 32.6 | Very low | 198 Ų | 198 | 164.6 Ų | 164.6 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -87.9 | -21.7 | 178.2 | -147.8 | 82.8 | 0 | 0 | 0 | 113 | ||
| 597 | L | 34.1 | Very low | 32.7 | Very low | 146 Ų | 146 | 157.9 Ų | 157.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -87.4 | -10.5 | -180 | -81.9 | 159.8 | 0 | 0 | 0 | 114.2 | ||
| 598 | H | 35.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -107.9 | -6.4 | -173.9 | -146.2 | -72.8 | 0 | 0 | 0 | 114.2 | ||
| 599 | E | 35.3 | Very low | 32.9 | Very low | 139 Ų | 139 | 150 Ų | 150 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -103.7 | -15.5 | -174.1 | -152.1 | 94 | -142.1 | 0 | 0 | 114.1 | H595 | H595-E599 IonicContact CE1-OE2 3.56Å; H595-E599 PolarHBondContact CE1-OE2 3.4Å; H595-E599 IonicContact ND1-OE2 3.92Å; H595-E599 PolarHBondContact ND1-OE2 3.35Å |
| 600 | Q | 35.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 156.6 Ų | 156.6 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -89.9 | -5 | 179.4 | -91.7 | -157.5 | -24 | 0 | 0 | 115.5 | R602 | Q600-R602 PolarHBondContact O-N 2.65Š|
| 601 | K | 35.1 | Very low | 32.8 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 14.4 | -174.9 | -104.1 | -176.9 | 177.6 | -177 | 0 | 115.3 | ||
| 602 | R | 32 | Very low | 32.5 | Very low | 245 Ų | 245 | 155.2 Ų | 155.2 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 12.3 | -172.4 | -116 | -179.7 | 179.4 | 171.9 | -0.7 | 116.8 | Q600 | Q600-R602 PolarHBondContact O-N 2.65Š|
| 603 | S | 30.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 149.8 Ų | 149.8 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -143.7 | 125.4 | 171.4 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 604 | M | 29.2 | Very low | 31.8 | Very low | 192 Ų | 192 | 154.7 Ų | 154.7 | 95% | 0.946 | 77% | 0.768 | S | S | * | * | trans | 82.6 | 80 | 169.9 | -55.7 | 172.7 | 63.9 | 0 | 0 | 116.3 | ||||
| 605 | S | 29.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -131.1 | 112 | 152.7 | 50 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 606 | N | 31.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -158.7 | 138.6 | 154.7 | -95.9 | -7.4 | 0 | 0 | 0 | 105.3 | ||||
| 607 | D | 33.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | 87.6 | 76.9 | -179.4 | -80 | 30.2 | 0 | 0 | 0 | 118.1 | K1097 | D607-K1097 IonicContact OD2-NZ 2.7Å; D607-K1097 PolarHBondContact OD2-NZ 2.75Å | ||
| 608 | D | 32.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | 42.8 | 128.3 | 112.6 | -60.8 | -12.9 | 0 | 0 | 0 | 122.7 | |||||
| 609 | N | 31.2 | Very low | 31 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 95.2 | 134.6 | 140 | -87.4 | -22.4 | 0 | 0 | 0 | 121.5 | ||||
| 610 | Y | 32.4 | Very low | 30.6 | Very low | 232 Ų | 232 | 144.7 Ų | 144.7 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | trans | 71.4 | 117.7 | 178.6 | -87.3 | -100.3 | 0 | 0 | 0 | 116.1 | ||||
| 611 | G | 29.7 | Very low | 30.3 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 144.7 | 104.7 | 10.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 612 | N | 29.1 | Very low | 29.9 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 60.1 | 111.6 | 154.5 | -66.1 | -11.4 | 0 | 0 | 0 | 121.3 | ||||
| 613 | S | 27.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 162.5 | 137.7 | 106.9 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 614 | F | 26.9 | Very low | 29.8 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 89.5 | 67.5 | 169.1 | -148.1 | -95 | 0 | 0 | 0 | 117 | ||
| 615 | T | 28 | Very low | 29.7 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -176.2 | 86.1 | 148.7 | 28.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 616 | S | 28.2 | Very low | 29.7 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -158.7 | 109.3 | 161.1 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 617 | L | 29.5 | Very low | 29.5 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -162.8 | 7.5 | 158 | -112.3 | 150.2 | 0 | 0 | 0 | 114.6 | ||
| 618 | A | 33.8 | Very low | 29.2 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -130.5 | 3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 619 | D | 30 | Very low | 28.9 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -114.1 | 16.2 | -170.3 | -123.1 | 4.3 | 0 | 0 | 0 | 114.4 | ||||
| 620 | S | 27.9 | Very low | 28.7 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 44% | 0.441 | 78% | 0.779 | S | S | . | * | trans | -104.8 | 108.2 | 178.2 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 621 | M | 29.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | trans | 83.8 | 72.4 | 140.5 | -63.2 | 176.9 | 105.8 | 0 | 0 | 118.7 | ||||
| 622 | C | 25.9 | Very low | 28.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | -93 | 80.1 | 121.9 | -77.4 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 623 | S | 29 | Very low | 28.8 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 56% | 0.559 | 78% | 0.782 | S | S | * | * | trans | -130.1 | 113.2 | 161.9 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 624 | V | 32.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -59.8 | 129.1 | 158.6 | 170 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 625 | E | 26.5 | Very low | 30.2 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | 34.2 | 99.1 | 150.5 | -59.2 | 174.1 | 169.1 | 0 | 0 | 117.2 | ||||
| 626 | D | 29.4 | Very low | 31.7 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 91% | 0.914 | 74% | 0.742 | S | S | * | * | -178.6 | 133.1 | 114 | -104.3 | -24.9 | 0 | 0 | 0 | 112.7 | |||||
| 627 | G | 26.7 | Very low | 33.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 59.7 | 103.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 628 | N | 26.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | 77.8 | 112.4 | 140.6 | -75.7 | -15.3 | 0 | 0 | 0 | 122 | ||||
| 629 | L | 26.3 | Very low | 38.8 | Very low | 176 Ų | 176 | 125.2 Ų | 125.2 | 92% | 0.921 | 70% | 0.695 | S | S | * | * | 81.3 | 91.7 | 128.3 | -139.6 | 80.2 | 0 | 0 | 0 | 119.4 | |||||
| 630 | G | 27.4 | Very low | 41.5 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | 162.2 | 107.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E632 | G630-E632 PolarHBondContact O-N 2.8Š| ||
| 631 | K | 27.4 | Very low | 44.2 | Very low | 224 Ų | 224 | 119.9 Ų | 119.9 | 97% | 0.974 | 66% | 0.664 | S | S | * | * | trans | -63.6 | 92.3 | -177.1 | -71.4 | 172.8 | 174.2 | 173.8 | 0 | 112.1 | ||||
| 632 | E | 29.1 | Very low | 46.8 | Very low | 166 Ų | 166 | 114.5 Ų | 114.5 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | trans | -117.5 | 116.8 | 170.6 | -70.9 | -165.1 | 152.1 | 0 | 0 | 111.7 | G630 S634 | G630-E632 PolarHBondContact O-N 2.8Å; E632-S634 PolarHBondContact O-N 2.87Å; E632-S634 VanDerWaalsContact O-N 3.13Å | ||
| 633 | K | 36.2 | Very low | 49.5 | Very low | 171 Ų | 171 | 117.2 Ų | 117.2 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | 2.4 | 86.2 | 171.5 | -66.9 | 173.6 | -179.5 | 170.6 | 0 | 116.4 | T635 | K633-T635 PolarHBondContact O-N 2.91Š| ||
| 634 | S | 36.6 | Very low | 51.7 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | trans | -60.7 | 124 | 173 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | E632 | E632-S634 PolarHBondContact O-N 2.87Å; E632-S634 VanDerWaalsContact O-N 3.13Å | ||
| 635 | T | 47.9 | Very low | 54 | Low | 62 Ų | 62 | 116 Ų | 116 | 38% | 0.38 | 62% | 0.622 | S | S | . | * | trans | -52.9 | 136.9 | 157.8 | 35.6 | 0 | 0 | 0 | 0 | 109.5 | K633 T637 | K633-T635 PolarHBondContact O-N 2.91Å; T635-T637 PolarHBondContact O-N 2.88Å | ||
| 636 | F | 59 | Low | 56.8 | Low | 114 Ų | 114 | 113 Ų | 113 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -69.5 | -19.4 | -173 | -61.5 | -77.5 | 0 | 0 | 0 | 113.9 | D707 | F636-D707 HydrophobicContact CD1-CB 4.07Å; F636-D707 WeakPolarHBondContact CD1-OD2 3.48Å; F636-D707 HydrophobicContact CE1-CB 3.63Å; F636-D707 VanDerWaalsContact CE1-CG 3.45Å; F636-D707 HydrophobicContact CZ-CB 4.29Å |
| 637 | T | 72.6 | Confident | 59.7 | Low | 59 Ų | 59 | 105 Ų | 105 | 36% | 0.362 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -151.5 | 163.1 | 179.2 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | T635 V639 A648 Y699 | T635-T637 PolarHBondContact O-N 2.88Å; T637-V639 HydrophobicContact CG2-CG1 4.32Å; T637-V639 PolarHBondContact O-N 3.45Å; T637-A648 HydrophobicContact CG2-CB 4.12Å; T637-Y699 HydrophobicContact CG2-CD2 4.06Å; T637-Y699 HydrophobicContact CG2-CE2 3.92Å |
| 638 | K | 83.2 | Confident | 62.8 | Low | 149 Ų | 149 | 102.2 Ų | 102.2 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | trans | -62.6 | 132.2 | 168.5 | -69.7 | -174.8 | 178.9 | -175.1 | 0 | 109.6 | V649 M651 | K638-V649 PolarHBondContact O-N 3.19Å; K638-M651 HydrophobicContact CD-CG 4.25Å | ||
| 639 | V | 86.3 | Confident | 65.8 | Low | 53 Ų | 53 | 95 Ų | 95 | 32% | 0.321 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.1 | -180 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | T637 I646 V647 Y699 | T637-V639 HydrophobicContact CG2-CG1 4.32Å; T637-V639 PolarHBondContact O-N 3.45Å; V639-I646 HydrophobicContact CB-CG2 4.03Å; V639-I646 HydrophobicContact CG1-CG2 4.21Å; V639-V647 CarbonylContact C-O 3.56Å; V639-V647 VanDerWaalsContact CA-O 3.25Å; V639-V647 WeakPolarHBondContact CA-O 3.35Å; V639-Y699 HydrophobicContact CG1-CD2 3.54Å; V639-Y699 HydrophobicContact CG1-CE2 3.56Å; V639-Y699 HydrophobicContact CG1-CG 4.05Å |
| 640 | A | 85.1 | Confident | 68.8 | Low | 19 Ų | 19 | 90.4 Ų | 90.4 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 162.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L576 I646 V647 V649 | L576-A640 HydrophobicContact CB-CB 4.16Å; L576-A640 HydrophobicContact CD2-CB 3.92Å; A640-I646 WeakPolarHBondContact O-CA 3.39Å; A640-V647 HydrophobicContact CB-CG2 4.14Å; A640-V647 PolarHBondContact N-O 3.38Å; A640-V647 VanDerWaalsContact O-CG2 3.31Å; A640-V647 WeakPolarHBondContact O-CG2 3.38Å; A640-V647 PolarHBondContact O-N 3.46Å; A640-V649 HydrophobicContact CB-CG2 3.54Å |
| 641 | N | 84.7 | Confident | 71.5 | Confident | 97 Ų | 97 | 90.4 Ų | 90.4 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 109.6 | 172 | -175.6 | -6.6 | 0 | 0 | 0 | 109.1 | G644 Q645 | N641-G644 VanDerWaalsContact OD1-C 3.31Å; N641-G644 WeakPolarHBondContact OD1-CA 3.38Å; N641-G644 PolarHBondContact OD1-N 2.81Å; N641-G644 VanDerWaalsContact OD1-N 3.11Å; N641-Q645 PolarHBondContact OD1-N 3.46Å |
| 642 | Y | 84.7 | Confident | 74.1 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 10% | 0.102 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115 | 177.4 | -176.1 | -109.4 | 0 | 0 | 0 | 109.7 | I571 E575 L576 G644 Q645 V684 | I571-Y642 HydrophobicContact CB-CE2 4.37Å; I571-Y642 HydrophobicContact CD1-CE1 4.24Å; I571-Y642 HydrophobicContact CD1-CE2 4.25Å; I571-Y642 HydrophobicContact CG1-CE1 4.47Å; I571-Y642 HydrophobicContact CG1-CE2 4.03Å; I571-Y642 HydrophobicContact CG2-CD2 3.92Å; I571-Y642 HydrophobicContact CG2-CE2 3.57Å; E575-Y642 HydrophobicContact CB-CD2 4.06Å; E575-Y642 HydrophobicContact CB-CE2 3.81Å; E575-Y642 WeakPolarHBondContact OE2-CE2 3.4Å; E575-Y642 PolarHBondContact OE2-OH 3.07Å; L576-Y642 HydrophobicContact CD2-CD2 4.13Å; L576-Y642 HydrophobicContact CD2-CG 4.44Å; Y642-G644 PolarHBondContact O-N 3.29Å; Y642-Q645 PolarHBondContact N-O 2.9Å; Y642-Q645 PolarHBondContact O-N 2.98Å; Y642-V684 HydrophobicContact CD1-CG1 3.86Å; Y642-V684 HydrophobicContact CE1-CG1 4.02Å |
| 643 | R | 82.9 | Confident | 76.5 | Confident | 195 Ų | 195 | 76.6 Ų | 76.6 | 74% | 0.736 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.6 | 179.5 | -58.7 | -176.9 | 177 | -173.6 | 0.2 | 114.1 | E575 | E575-R643 IonicContact OE2-NE 3.84Å; E575-R643 IonicContact OE2-NH2 3.78Å |
| 644 | G | 74.2 | Confident | 78.5 | Confident | 67 Ų | 67 | 69 Ų | 69 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 2.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N641 Y642 | N641-G644 VanDerWaalsContact OD1-C 3.31Å; N641-G644 WeakPolarHBondContact OD1-CA 3.38Å; N641-G644 PolarHBondContact OD1-N 2.81Å; N641-G644 VanDerWaalsContact OD1-N 3.11Å; Y642-G644 PolarHBondContact O-N 3.29Å |
| 645 | Q | 81.1 | Confident | 80.1 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.3 | 176.4 | -63.3 | -174.6 | -3.8 | 0 | 0 | 110.8 | N641 Y642 V647 | N641-Q645 PolarHBondContact OD1-N 3.46Å; Y642-Q645 PolarHBondContact N-O 2.9Å; Y642-Q645 PolarHBondContact O-N 2.98Å; Q645-V647 PolarHBondContact O-N 3.36Å |
| 646 | I | 85.9 | Confident | 81.3 | Confident | 108 Ų | 108 | 75 Ų | 75 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.8 | 171.5 | -57.6 | 174.6 | 0 | 0 | 0 | 108.3 | V639 A640 Y699 | V639-I646 HydrophobicContact CB-CG2 4.03Å; V639-I646 HydrophobicContact CG1-CG2 4.21Å; A640-I646 WeakPolarHBondContact O-CA 3.39Å; I646-Y699 HydrophobicContact CB-CD1 4.5Å; I646-Y699 HydrophobicContact CG2-CD1 3.73Å; I646-Y699 HydrophobicContact CG2-CE1 4.41Å; I646-Y699 HydrophobicContact CG2-CG 4.02Å |
| 647 | V | 89.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.1 | -179.5 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | L576 V639 A640 Q645 V649 V684 V696 T697 | L576-V647 HydrophobicContact CD2-CG2 4.16Å; V639-V647 CarbonylContact C-O 3.56Å; V639-V647 VanDerWaalsContact CA-O 3.25Å; V639-V647 WeakPolarHBondContact CA-O 3.35Å; A640-V647 HydrophobicContact CB-CG2 4.14Å; A640-V647 PolarHBondContact N-O 3.38Å; A640-V647 VanDerWaalsContact O-CG2 3.31Å; A640-V647 WeakPolarHBondContact O-CG2 3.38Å; A640-V647 PolarHBondContact O-N 3.46Å; Q645-V647 PolarHBondContact O-N 3.36Å; V647-V649 HydrophobicContact CG2-CG2 4.31Å; V647-V684 HydrophobicContact CG1-CG2 4.29Å; V647-V696 HydrophobicContact CB-CG1 3.55Å; V647-V696 HydrophobicContact CG1-CG1 4.11Å; V647-V696 HydrophobicContact CG2-CG1 3.47Å; V647-V696 VanDerWaalsContact CG2-CG1 3.47Å; V647-T697 WeakPolarHBondContact CB-O 3.38Å |
| 648 | A | 91.6 | Very high | 81.5 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | T637 V696 T697 Y699 | T637-A648 HydrophobicContact CG2-CB 4.12Å; A648-V696 WeakPolarHBondContact O-CA 3.31Å; A648-T697 PolarHBondContact N-O 2.82Å; A648-T697 PolarHBondContact O-N 3.04Å; A648-Y699 HydrophobicContact CB-CD2 4.3Å |
| 649 | V | 90.4 | Very high | 81.2 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | L576 K638 A640 V647 M651 C694 V696 | L576-V649 HydrophobicContact CD2-CG2 4.43Å; K638-V649 PolarHBondContact O-N 3.19Å; A640-V649 HydrophobicContact CB-CG2 3.54Å; V647-V649 HydrophobicContact CG2-CG2 4.31Å; V649-M651 HydrophobicContact CG1-SD 3.94Å; V649-C694 HydrophobicContact CG1-CB 3.69Å; V649-V696 HydrophobicContact CG2-CG2 4.46Å |
| 650 | K | 88.2 | Confident | 80.7 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 106.8 | 173.5 | -175.5 | 171 | -178.8 | 172.6 | 0 | 109.8 | C694 I695 D763 | K650-C694 CarbonylContact O-C 3.52Å; K650-C694 WeakPolarHBondContact O-CA 3.42Å; K650-C694 WeakPolarHBondContact O-CB 3.48Å; K650-I695 PolarHBondContact N-O 3.17Å; K650-I695 PolarHBondContact O-N 3.33Å; K650-D763 WeakPolarHBondContact CD-OD1 3.27Å; K650-D763 IonicContact NZ-OD1 3.22Å; K650-D763 PolarHBondContact NZ-OD1 2.96Å; K650-D763 IonicContact NZ-OD2 3.91Å; K650-D763 PolarHBondContact NZ-OD2 3.45Å |
| 651 | M | 85.2 | Confident | 80.4 | Confident | 66 Ų | 66 | 82.9 Ų | 82.9 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.3 | 174.4 | -57 | -59.8 | -70.2 | 0 | 0 | 109.7 | W573 K638 V649 H692 C694 | W573-M651 HydrophobicContact CH2-CE 3.86Å; W573-M651 HydrophobicContact CH2-SD 4.01Å; W573-M651 HydrophobicContact CZ3-CE 3.92Å; W573-M651 HydrophobicContact CZ3-SD 3.9Å; K638-M651 HydrophobicContact CD-CG 4.25Å; V649-M651 HydrophobicContact CG1-SD 3.94Å; M651-H692 HydrophobicContact CE-CB 4.27Å; M651-C694 HydrophobicContact SD-CB 3.68Å |
| 652 | L | 81.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 81.1 Ų | 81.1 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | trans | -106 | 133.9 | 176.4 | -61.1 | 177.5 | 0 | 0 | 0 | 109.6 | I654 Y693 I695 F769 E773 | L652-I654 HydrophobicContact CB-CD1 4.1Å; L652-I654 HydrophobicContact CB-CG1 4.1Å; L652-I654 HydrophobicContact CD1-CD1 4.2Å; L652-I654 PolarHBondContact O-N 2.67Å; L652-I654 VanDerWaalsContact O-N 3.15Å; L652-Y693 PolarHBondContact N-O 2.84Å; L652-I695 HydrophobicContact CD1-CD1 3.99Å; L652-I695 HydrophobicContact CD1-CG1 4.02Å; L652-I695 HydrophobicContact CD2-CD1 4.19Å; L652-I695 HydrophobicContact CG-CD1 4.46Å; L652-F769 HydrophobicContact CD1-CD1 3.6Å; L652-F769 HydrophobicContact CD1-CE1 3.32Å; L652-F769 HydrophobicContact CD1-CZ 4.18Å; L652-E773 WeakPolarHBondContact CA-OE1 3.34Å | ||
| 653 | N | 79.5 | Confident | 80.1 | Confident | 89 Ų | 89 | 86 Ų | 86 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | trans | -86.6 | 82.8 | 177.3 | -169 | 7.8 | 0 | 0 | 0 | 111 | E773 T774 | N653-E773 HydrophobicContact CB-CG 4.26Å; N653-E773 PolarHBondContact N-OE1 2.91Å; N653-E773 WeakPolarHBondContact O-CG 3.5Å; N653-T774 PolarHBondContact O-N 2.83Å; N653-T774 PolarHBondContact O-OG1 2.86Å | ||
| 654 | I | 77.5 | Confident | 80 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | trans | -109 | 114.9 | 178.6 | -58.4 | 174.4 | 0 | 0 | 0 | 108.6 | L652 R656 I659 Y693 L772 | L652-I654 HydrophobicContact CB-CD1 4.1Å; L652-I654 HydrophobicContact CB-CG1 4.1Å; L652-I654 HydrophobicContact CD1-CD1 4.2Å; L652-I654 PolarHBondContact O-N 2.67Å; L652-I654 VanDerWaalsContact O-N 3.15Å; I654-R656 VanDerWaalsContact C-N 3.3Å; I654-R656 HydrophobicContact CG2-CB 4.03Å; I654-R656 HydrophobicContact CG2-CG 4.4Å; I654-R656 PolarHBondContact O-N 2.9Å; I654-I659 HydrophobicContact CD1-CD1 3.67Å; I654-I659 HydrophobicContact CG2-CD1 4.42Å; I654-I659 HydrophobicContact CG2-CG1 4.46Å; I654-Y693 HydrophobicContact CB-CD2 3.65Å; I654-Y693 HydrophobicContact CB-CE2 4.08Å; I654-Y693 HydrophobicContact CB-CG 4.1Å; I654-Y693 HydrophobicContact CD1-CD1 4.44Å; I654-Y693 HydrophobicContact CD1-CD2 4.47Å; I654-Y693 HydrophobicContact CD1-CG 4.04Å; I654-Y693 HydrophobicContact CG1-CD2 4.47Å; I654-Y693 HydrophobicContact CG1-CG 4.47Å; I654-Y693 HydrophobicContact CG2-CD2 4.21Å; I654-Y693 HydrophobicContact CG2-CE2 4.16Å; I654-L772 HydrophobicContact CD1-CB 4.01Å; I654-L772 HydrophobicContact CG1-CB 4.33Å | ||
| 655 | Q | 70.9 | Confident | 80.4 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | trans | -80.3 | -6.1 | -180 | -70.2 | -172 | -25.2 | 0 | 0 | 114.4 | T774 | Q655-T774 HydrophobicContact CB-CG2 4.16Å; Q655-T774 HydrophobicContact CG-CG2 4.1Å | ||
| 656 | R | 72 | Confident | 80.6 | Confident | 156 Ų | 156 | 74.6 Ų | 74.6 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | trans | -74.1 | 139.4 | 178.9 | -62.1 | -175.4 | -178.9 | -173.1 | 0.9 | 110.1 | I654 R658 Y693 | I654-R656 VanDerWaalsContact C-N 3.3Å; I654-R656 HydrophobicContact CG2-CB 4.03Å; I654-R656 HydrophobicContact CG2-CG 4.4Å; I654-R656 PolarHBondContact O-N 2.9Å; R656-R658 VanDerWaalsContact C-N 3.29Å; R656-R658 PolarHBondContact O-N 3.48Å; R656-Y693 WeakPolarHBondContact O-CE2 3.39Å; R656-Y693 PolarHBondContact O-OH 2.98Å | ||
| 657 | S | 64.8 | Low | 80.5 | Confident | 110 Ų | 110 | 71.7 Ų | 71.7 | 77% | 0.769 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -71.6 | -22.2 | 177.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | A690 Y693 | S657-A690 WeakPolarHBondContact O-CB 3.44Å; S657-Y693 PolarHBondContact O-OH 3.03Å |
| 658 | R | 72.4 | Confident | 80.3 | Confident | 206 Ų | 206 | 73 Ų | 73 | 78% | 0.777 | 35% | 0.352 | S | S | * | . | trans | -150.2 | 137 | 179 | -166.4 | 174.4 | -179.8 | 178.2 | -0.8 | 109.9 | R656 | R656-R658 VanDerWaalsContact C-N 3.29Å; R656-R658 PolarHBondContact O-N 3.48Å | ||
| 659 | I | 76.5 | Confident | 80.2 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | trans | -95.7 | 121.3 | 172.1 | -61.6 | 175.6 | 0 | 0 | 0 | 108 | I654 L661 L665 Y693 F769 L772 | I654-I659 HydrophobicContact CD1-CD1 3.67Å; I654-I659 HydrophobicContact CG2-CD1 4.42Å; I654-I659 HydrophobicContact CG2-CG1 4.46Å; I659-L661 PolarHBondContact O-N 2.9Å; I659-L665 HydrophobicContact CG2-CD2 4.18Å; I659-Y693 HydrophobicContact CD1-CD1 3.38Å; I659-Y693 HydrophobicContact CD1-CE1 3.38Å; I659-Y693 HydrophobicContact CD1-CG 4.2Å; I659-Y693 HydrophobicContact CG1-CD1 4.22Å; I659-Y693 HydrophobicContact CG1-CE1 3.7Å; I659-F769 HydrophobicContact CD1-CE2 3.83Å; I659-F769 HydrophobicContact CD1-CZ 4.27Å; I659-L772 HydrophobicContact CD1-CD1 4.14Å; I659-L772 HydrophobicContact CG1-CD1 4.28Å; I659-L772 HydrophobicContact CG2-CD1 3.66Å | ||
| 660 | E | 75.7 | Confident | 79.9 | Confident | 178 Ų | 178 | 73.5 Ų | 73.5 | 83% | 0.832 | 35% | 0.351 | S | S | * | . | trans | -75.5 | 115.7 | 169.3 | -70.4 | -175.2 | 169.9 | 0 | 0 | 109.6 | S662 | E660-S662 PolarHBondContact O-N 2.85Š| ||
| 661 | L | 78.5 | Confident | 79.8 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | trans | -76.5 | 88.7 | 178 | -72.9 | 162.9 | 0 | 0 | 0 | 109.9 | M567 W569 I659 L665 L666 L669 I688 | M567-L661 HydrophobicContact CE-CD1 3.91Å; M567-L661 HydrophobicContact SD-CD1 4.45Å; W569-L661 HydrophobicContact CH2-CD1 4.29Å; W569-L661 HydrophobicContact CH2-CD2 3.69Å; W569-L661 HydrophobicContact CZ2-CD1 4.35Å; W569-L661 HydrophobicContact CZ2-CD2 3.89Å; I659-L661 PolarHBondContact O-N 2.9Å; L661-L665 HydrophobicContact CD2-CD2 4.02Å; L661-L665 HydrophobicContact CD2-CG 4.47Å; L661-L666 HydrophobicContact CB-CD1 4.45Å; L661-L666 HydrophobicContact CB-CG 4.31Å; L661-L666 HydrophobicContact CD2-CD2 4.27Å; L661-L669 HydrophobicContact CD2-CD1 4.46Å; L661-I688 HydrophobicContact CD1-CD1 3.8Å; L661-I688 HydrophobicContact CD2-CD1 4.45Å; L661-I688 HydrophobicContact CG-CD1 4.39Å | ||
| 662 | S | 81 | Confident | 80 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | trans | -64.7 | 153.9 | 171.9 | 76 | 0 | 0 | 0 | 0 | 111.2 | E660 N664 L665 L666 | E660-S662 PolarHBondContact O-N 2.85Å; S662-N664 PolarHBondContact O-N 2.89Å; S662-L665 PolarHBondContact O-N 2.88Å; S662-L665 VanDerWaalsContact O-N 3.09Å; S662-L665 PolarHBondContact OG-N 2.77Å; S662-L666 PolarHBondContact O-N 3.34Å | ||
| 663 | R | 82 | Confident | 80.3 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.2 | -37.4 | 175 | -176 | 179.7 | 173.1 | 107.2 | -4.1 | 111.6 | E561 L666 L667 | E561-R663 IonicContact OE1-CZ 2.65Å; E561-R663 IonicContact OE1-NH1 2.8Å; E561-R663 PolarHBondContact OE1-NH1 3.38Å; R663-L666 PolarHBondContact O-N 2.96Å; R663-L667 HydrophobicContact CG-CD1 4.15Å; R663-L667 WeakPolarHBondContact O-CB 3.01Å; R663-L667 VanDerWaalsContact O-CG 3.29Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3.41Å |
| 664 | N | 81.9 | Confident | 80.6 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 178.7 | -66.4 | -16 | 0 | 0 | 0 | 112 | S662 L667 E668 | S662-N664 PolarHBondContact O-N 2.89Å; N664-L667 PolarHBondContact O-N 3.45Å; N664-E668 WeakPolarHBondContact O-CB 3.34Å; N664-E668 PolarHBondContact O-N 3.47Å |
| 665 | L | 82.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 76.6 Ų | 76.6 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 176.8 | 179.2 | 59.6 | 0 | 0 | 0 | 111.9 | I659 L661 S662 E668 L669 F769 | I659-L665 HydrophobicContact CG2-CD2 4.18Å; L661-L665 HydrophobicContact CD2-CD2 4.02Å; L661-L665 HydrophobicContact CD2-CG 4.47Å; S662-L665 PolarHBondContact O-N 2.88Å; S662-L665 VanDerWaalsContact O-N 3.09Å; S662-L665 PolarHBondContact OG-N 2.77Å; L665-E668 PolarHBondContact O-N 3.21Å; L665-L669 HydrophobicContact CD1-CD1 4.19Å; L665-L669 HydrophobicContact CD1-CG 4.35Å; L665-L669 HydrophobicContact CG-CD1 4.03Å; L665-L669 WeakPolarHBondContact O-CG 3.35Å; L665-L669 PolarHBondContact O-N 3.24Å; L665-F769 HydrophobicContact CD1-CB 3.72Å; L665-F769 HydrophobicContact CD1-CD2 3.77Å; L665-F769 HydrophobicContact CD1-CG 4.12Å; L665-F769 HydrophobicContact CD2-CD2 3.9Å; L665-F769 HydrophobicContact CD2-CE2 4.44Å; L665-F769 HydrophobicContact CG-CD2 4.42Å |
| 666 | L | 84.3 | Confident | 82 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.3 | -75.1 | 169.3 | 0 | 0 | 0 | 112.2 | L564 W569 L661 S662 R663 K670 | L564-L666 HydrophobicContact CD2-CB 4.09Å; W569-L666 HydrophobicContact CZ2-CD2 3.63Å; L661-L666 HydrophobicContact CB-CD1 4.45Å; L661-L666 HydrophobicContact CB-CG 4.31Å; L661-L666 HydrophobicContact CD2-CD2 4.27Å; S662-L666 PolarHBondContact O-N 3.34Å; R663-L666 PolarHBondContact O-N 2.96Å; L666-K670 WeakPolarHBondContact O-CB 3.49Å; L666-K670 PolarHBondContact O-N 3.44Å |
| 667 | L | 84.3 | Confident | 82.9 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 173.7 | -74.4 | 167.7 | 0 | 0 | 0 | 111.2 | L564 R663 N664 K670 K671 | L564-L667 HydrophobicContact CD1-CD2 3.99Å; L564-L667 HydrophobicContact CD2-CD2 4.14Å; L564-L667 HydrophobicContact CD2-CG 4.48Å; R663-L667 HydrophobicContact CG-CD1 4.15Å; R663-L667 WeakPolarHBondContact O-CB 3.01Å; R663-L667 VanDerWaalsContact O-CG 3.29Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3.41Å; N664-L667 PolarHBondContact O-N 3.45Å; L667-K670 PolarHBondContact O-N 3.48Å; L667-K671 WeakPolarHBondContact O-CB 3.42Å; L667-K671 VanDerWaalsContact O-CG 3.23Å; L667-K671 WeakPolarHBondContact O-CG 3.48Å; L667-K671 PolarHBondContact O-N 3.33Å |
| 668 | E | 85.8 | Confident | 84.2 | Confident | 30 Ų | 30 | 70 Ų | 70 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 178.4 | -162 | 175.4 | -174.4 | 0 | 0 | 112.2 | N664 L665 K670 K671 M672 L766 H767 H768 | N664-E668 WeakPolarHBondContact O-CB 3.34Å; N664-E668 PolarHBondContact O-N 3.47Å; L665-E668 PolarHBondContact O-N 3.21Å; E668-K670 PolarHBondContact O-N 3.16Å; E668-K671 PolarHBondContact O-N 3.05Å; E668-M672 WeakPolarHBondContact O-CG 3.34Å; E668-M672 PolarHBondContact O-N 2.93Å; E668-L766 HydrophobicContact CG-CD2 4.23Å; E668-L766 VanDerWaalsContact OE1-C 3.26Å; E668-L766 WeakPolarHBondContact OE1-CA 3.47Å; E668-L766 PolarHBondContact OE1-N 2.78Å; E668-L766 VanDerWaalsContact OE1-N 3.07Å; E668-H767 IonicContact OE1-CD2 4Å; E668-H767 PolarHBondContact OE1-N 3.36Å; E668-H768 WeakPolarHBondContact OE2-CB 3.49Å; E668-H768 IonicContact OE2-CG 2.72Å; E668-H768 IonicContact OE2-ND1 2.7Å; E668-H768 PolarHBondContact OE2-ND1 2.97Å |
| 669 | L | 87.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.6 | -75.1 | 162.7 | 0 | 0 | 0 | 112.3 | W569 L661 L665 M672 K673 F683 A686 L766 | W569-L669 HydrophobicContact CD2-CB 4.16Å; W569-L669 HydrophobicContact CD2-CD1 3.92Å; W569-L669 HydrophobicContact CD2-CD2 4.48Å; W569-L669 HydrophobicContact CD2-CG 4.43Å; W569-L669 HydrophobicContact CE3-CD1 3.92Å; W569-L669 HydrophobicContact CE3-CD2 4.25Å; W569-L669 HydrophobicContact CG-CB 4.15Å; W569-L669 HydrophobicContact CH2-CD1 3.72Å; W569-L669 HydrophobicContact CZ2-CD1 3.7Å; W569-L669 HydrophobicContact CZ3-CD1 3.83Å; L661-L669 HydrophobicContact CD2-CD1 4.46Å; L665-L669 HydrophobicContact CD1-CD1 4.19Å; L665-L669 HydrophobicContact CD1-CG 4.35Å; L665-L669 HydrophobicContact CG-CD1 4.03Å; L665-L669 WeakPolarHBondContact O-CG 3.35Å; L665-L669 PolarHBondContact O-N 3.24Å; L669-M672 PolarHBondContact O-N 2.96Å; L669-K673 WeakPolarHBondContact O-CB 3.42Å; L669-K673 PolarHBondContact O-N 3.22Å; L669-F683 HydrophobicContact CD2-CE1 4.23Å; L669-F683 HydrophobicContact CD2-CZ 3.73Å; L669-A686 HydrophobicContact CD2-CB 4.26Å; L669-L766 HydrophobicContact CD2-CD2 3.66Å; L669-L766 HydrophobicContact CG-CD2 4.08Å |
| 670 | K | 84.9 | Confident | 86.1 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | 175.5 | -176.8 | -179.3 | 170 | 66.2 | 0 | 111 | E563 L564 L666 L667 E668 M672 K673 D674 | E563-K670 IonicContact OE2-NZ 3.92Å; E563-K670 PolarHBondContact OE2-NZ 3.21Å; L564-K670 HydrophobicContact CD2-CB 4.13Å; L564-K670 HydrophobicContact CD2-CD 3.73Å; L564-K670 HydrophobicContact CG-CD 4.09Å; L666-K670 WeakPolarHBondContact O-CB 3.49Å; L666-K670 PolarHBondContact O-N 3.44Å; L667-K670 PolarHBondContact O-N 3.48Å; E668-K670 PolarHBondContact O-N 3.16Å; K670-M672 VanDerWaalsContact C-N 3.3Å; K670-M672 PolarHBondContact O-N 3.04Å; K670-K673 PolarHBondContact O-N 3.35Å; K670-K673 VanDerWaalsContact O-N 3.1Å; K670-D674 IonicContact NZ-OD2 3.15Å; K670-D674 VanDerWaalsContact O-CG 3.3Å; K670-D674 PolarHBondContact O-N 2.75Å |
| 671 | K | 86.5 | Confident | 86.9 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.5 | -45.1 | 176.5 | -74.8 | 179.2 | -176.6 | -152.4 | 0 | 111.5 | L667 E668 K673 D674 L675 D739 | L667-K671 WeakPolarHBondContact O-CB 3.42Å; L667-K671 VanDerWaalsContact O-CG 3.23Å; L667-K671 WeakPolarHBondContact O-CG 3.48Å; L667-K671 PolarHBondContact O-N 3.33Å; E668-K671 PolarHBondContact O-N 3.05Å; K671-K673 VanDerWaalsContact C-N 3.33Å; K671-K673 PolarHBondContact O-N 3.49Å; K671-D674 PolarHBondContact O-N 2.93Å; K671-L675 VanDerWaalsContact O-CG 3.27Å; K671-L675 WeakPolarHBondContact O-CG 3.48Å; K671-L675 PolarHBondContact O-N 3.14Å; K671-L675 VanDerWaalsContact O-N 3.13Å; K671-D739 IonicContact NZ-OD2 2.71Å; K671-D739 PolarHBondContact NZ-OD2 3.08Å |
| 672 | M | 89.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.5 | -75.7 | -68.9 | -61.4 | 0 | 0 | 113.1 | E668 L669 K670 L675 F683 I740 F764 L766 | E668-M672 WeakPolarHBondContact O-CG 3.34Å; E668-M672 PolarHBondContact O-N 2.93Å; L669-M672 PolarHBondContact O-N 2.96Å; K670-M672 VanDerWaalsContact C-N 3.3Å; K670-M672 PolarHBondContact O-N 3.04Å; M672-L675 PolarHBondContact O-N 3.16Å; M672-L675 HydrophobicContact SD-CD1 4.32Å; M672-F683 HydrophobicContact CB-CB 4.45Å; M672-F683 HydrophobicContact CB-CD1 4.06Å; M672-F683 HydrophobicContact CB-CE1 4.48Å; M672-F683 HydrophobicContact CB-CG 4.19Å; M672-F683 HydrophobicContact CE-CB 4.48Å; M672-I740 HydrophobicContact SD-CD1 3.48Å; M672-I740 WeakPolarHBondContact SD-CD1 3.3Å; M672-F764 HydrophobicContact CE-CD2 4.04Å; M672-F764 HydrophobicContact CE-CE2 3.74Å; M672-F764 HydrophobicContact CE-CZ 4.29Å; M672-F764 WeakPolarHBondContact CE-O 3.45Å; M672-F764 HydrophobicContact SD-CD2 4.17Å; M672-F764 HydrophobicContact SD-CE2 4Å; M672-L766 HydrophobicContact CB-CD2 4.36Å; M672-L766 HydrophobicContact CE-CG 4.38Å; M672-L766 HydrophobicContact CG-CD2 3.77Å; M672-L766 HydrophobicContact CG-CG 3.85Å |
| 673 | K | 87.4 | Confident | 88.1 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 176.8 | -175.3 | 170.7 | 179.4 | 179 | 0 | 113 | S568 W569 L669 K670 K671 L675 F683 | S568-K673 PolarHBondContact O-NZ 3.42Å; S568-K673 PolarHBondContact OG-NZ 3.42Å; W569-K673 HydrophobicContact CB-CD 4.05Å; L669-K673 WeakPolarHBondContact O-CB 3.42Å; L669-K673 PolarHBondContact O-N 3.22Å; K670-K673 PolarHBondContact O-N 3.35Å; K670-K673 VanDerWaalsContact O-N 3.1Å; K671-K673 VanDerWaalsContact C-N 3.33Å; K671-K673 PolarHBondContact O-N 3.49Å; K673-L675 VanDerWaalsContact C-N 3.33Å; K673-F683 HydrophobicContact CB-CD1 4.12Å |
| 674 | D | 86 | Confident | 88.5 | Confident | 107 Ų | 107 | 47 Ų | 47 | 57% | 0.572 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -80.9 | -14.1 | -179.3 | -64.3 | -18.1 | 0 | 0 | 0 | 112.3 | K670 K671 | K670-D674 IonicContact NZ-OD2 3.15Å; K670-D674 VanDerWaalsContact O-CG 3.3Å; K670-D674 PolarHBondContact O-N 2.75Å; K671-D674 PolarHBondContact O-N 2.93Å |
| 675 | L | 89 | Confident | 88.9 | Confident | 33 Ų | 33 | 42 Ų | 42 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | trans | -77.4 | 125.1 | 175.6 | -73.5 | 167.4 | 0 | 0 | 0 | 111.7 | K671 M672 K673 F734 I740 | K671-L675 VanDerWaalsContact O-CG 3.27Å; K671-L675 WeakPolarHBondContact O-CG 3.48Å; K671-L675 PolarHBondContact O-N 3.14Å; K671-L675 VanDerWaalsContact O-N 3.13Å; M672-L675 PolarHBondContact O-N 3.16Å; M672-L675 HydrophobicContact SD-CD1 4.32Å; K673-L675 VanDerWaalsContact C-N 3.33Å; L675-F734 HydrophobicContact CD2-CE1 3.84Å; L675-F734 HydrophobicContact CD2-CZ 3.85Å; L675-I740 HydrophobicContact CD1-CD1 3.36Å; L675-I740 HydrophobicContact CD1-CG1 4.01Å | ||
| 676 | S | 88.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 62% | 0.622 | 21% | 0.209 | S | C | * | . | trans | -142 | 128.6 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 677 | H | 92.2 | Very high | 89.4 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | trans | -158.4 | 150.2 | 175 | -176.6 | -98.8 | 0 | 0 | 0 | 109.7 | H679 I680 F734 | H677-H679 AromaticContact CE1-CD2 3.73Å; H677-H679 PolarHBondContact ND1-N 3.15Å; H677-H679 PolarHBondContact O-N 3.21Å; H677-I680 HydrophobicContact CB-CD1 3.78Å; H677-I680 HydrophobicContact CB-CG1 3.87Å; H677-I680 PolarHBondContact O-N 3.1Å; H677-F734 HydrophobicContact CB-CD1 3.75Å; H677-F734 HydrophobicContact CB-CD2 3.92Å; H677-F734 HydrophobicContact CB-CE1 3.79Å; H677-F734 HydrophobicContact CB-CE2 3.95Å; H677-F734 HydrophobicContact CB-CG 3.81Å; H677-F734 HydrophobicContact CB-CZ 3.88Å; H677-F734 AromaticContact CD2-CD2 3.46Å; H677-F734 VanDerWaalsContact CD2-CD2 3.46Å; H677-F734 WeakPolarHBondContact CD2-CD2 3.4Å; H677-F734 AromaticContact CD2-CG 3.77Å; H677-F734 AromaticContact CG-CD2 3.76Å; H677-F734 AromaticContact CG-CG 3.65Å | ||
| 678 | D | 90.9 | Very high | 89.5 | Confident | 113 Ų | 113 | 39.2 Ų | 39.2 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.1 | -172.3 | -69.4 | -25.2 | 0 | 0 | 0 | 114.2 | K760 | D678-K760 VanDerWaalsContact O-CE 3.29Å; D678-K760 WeakPolarHBondContact O-CE 3.23Å; D678-K760 WeakPolarHBondContact O-CG 3.4Å |
| 679 | H | 94.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.5 | -176.8 | -58.3 | -68.9 | 0 | 0 | 0 | 113.9 | H677 D727 K730 L759 K760 I761 | H677-H679 AromaticContact CE1-CD2 3.73Å; H677-H679 PolarHBondContact ND1-N 3.15Å; H677-H679 PolarHBondContact O-N 3.21Å; H679-D727 WeakPolarHBondContact CB-O 3.33Å; H679-D727 IonicContact CE1-OD1 3.89Å; H679-D727 PolarHBondContact CE1-OD1 3.05Å; H679-D727 IonicContact CE1-OD2 3.9Å; H679-D727 WeakPolarHBondContact ND1-CB 3.27Å; H679-D727 IonicContact ND1-OD1 3.82Å; H679-D727 IonicContact NE2-OD1 3.87Å; H679-K730 HydrophobicContact CB-CB 4.46Å; H679-K730 VanDerWaalsContact CD2-CB 3.47Å; H679-K730 WeakPolarHBondContact CD2-CB 3.1Å; H679-K730 WeakPolarHBondContact NE2-CD 3.5Å; H679-L759 PolarHBondContact ND1-O 3.15Å; H679-K760 WeakPolarHBondContact O-CA 3.35Å; H679-I761 PolarHBondContact O-N 3.2Å |
| 680 | I | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 150.1 | 169.1 | 73.3 | -174.4 | 0 | 0 | 0 | 109.2 | H677 R682 F734 I735 I761 F764 | H677-I680 HydrophobicContact CB-CD1 3.78Å; H677-I680 HydrophobicContact CB-CG1 3.87Å; H677-I680 PolarHBondContact O-N 3.1Å; I680-R682 PolarHBondContact O-N 2.99Å; I680-F734 HydrophobicContact CD1-CD1 3.64Å; I680-F734 HydrophobicContact CD1-CE1 3.36Å; I680-F734 HydrophobicContact CD1-CZ 4.39Å; I680-F734 HydrophobicContact CG2-CD1 4.29Å; I680-I735 HydrophobicContact CG2-CD1 4.15Å; I680-I735 HydrophobicContact CG2-CG1 4.1Å; I680-I761 CarbonylContact C-O 3.58Å; I680-I761 VanDerWaalsContact CA-O 3.32Å; I680-I761 WeakPolarHBondContact CA-O 3.33Å; I680-F764 HydrophobicContact CB-CE1 3.76Å; I680-F764 HydrophobicContact CB-CZ 3.83Å; I680-F764 HydrophobicContact CD1-CE2 4.38Å; I680-F764 HydrophobicContact CD1-CZ 3.83Å; I680-F764 HydrophobicContact CG1-CE1 4.44Å; I680-F764 HydrophobicContact CG1-CZ 4.04Å; I680-F764 HydrophobicContact CG2-CE1 4.39Å; I680-F764 HydrophobicContact CG2-CZ 4.49Å |
| 681 | T | 92.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 129 | 176.4 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | F683 E698 V752 K760 I761 T762 | T681-F683 PolarHBondContact O-N 3.11Å; T681-E698 VanDerWaalsContact CA-OE1 3.26Å; T681-E698 WeakPolarHBondContact CA-OE1 3.29Å; T681-E698 HydrophobicContact CG2-CG 4.34Å; T681-V752 HydrophobicContact CG2-CG2 3.51Å; T681-K760 HydrophobicContact CG2-CB 3.94Å; T681-I761 PolarHBondContact N-O 3.08Å; T681-I761 PolarHBondContact OG1-O 3.25Å; T681-T762 WeakPolarHBondContact OG1-CA 3.4Å; T681-T762 VanDerWaalsContact OG1-CB 3.3Å; T681-T762 WeakPolarHBondContact OG1-CB 3.4Å; T681-T762 PolarHBondContact OG1-OG1 2.7Å |
| 682 | R | 92.5 | Very high | 88.5 | Confident | 103 Ų | 103 | 43.9 Ų | 43.9 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 126.8 | 174.8 | -175.2 | 172.6 | 60 | 91.8 | -0.6 | 111.1 | I680 V684 T697 E698 | I680-R682 PolarHBondContact O-N 2.99Å; R682-V684 PolarHBondContact O-N 3.04Å; R682-T697 WeakPolarHBondContact O-CA 3.41Å; R682-E698 HydrophobicContact CB-CG 4.45Å; R682-E698 PolarHBondContact N-OE1 3.38Å; R682-E698 PolarHBondContact O-N 3.29Å; R682-E698 VanDerWaalsContact O-N 3.11Å |
| 683 | F | 92.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120 | 171 | -179.8 | -105.7 | 0 | 0 | 0 | 109.6 | W569 L669 M672 K673 T681 G685 A686 I695 L766 | W569-F683 HydrophobicContact CB-CE1 4.23Å; L669-F683 HydrophobicContact CD2-CE1 4.23Å; L669-F683 HydrophobicContact CD2-CZ 3.73Å; M672-F683 HydrophobicContact CB-CB 4.45Å; M672-F683 HydrophobicContact CB-CD1 4.06Å; M672-F683 HydrophobicContact CB-CE1 4.48Å; M672-F683 HydrophobicContact CB-CG 4.19Å; M672-F683 HydrophobicContact CE-CB 4.48Å; K673-F683 HydrophobicContact CB-CD1 4.12Å; T681-F683 PolarHBondContact O-N 3.11Å; F683-G685 VanDerWaalsContact CE2-O 3.27Å; F683-G685 WeakPolarHBondContact CE2-O 3.21Å; F683-G685 WeakPolarHBondContact CZ-O 3.33Å; F683-A686 HydrophobicContact CZ-CB 4.1Å; F683-I695 HydrophobicContact CD2-CG2 4.21Å; F683-I695 HydrophobicContact CE2-CG2 3.91Å; F683-L766 HydrophobicContact CD2-CD1 4.27Å; F683-L766 HydrophobicContact CE2-CD1 3.7Å; F683-L766 HydrophobicContact CZ-CD1 4.25Å |
| 684 | V | 90.2 | Very high | 88.5 | Confident | 21 Ų | 21 | 40 Ų | 40 | 13% | 0.127 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -43.7 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | I571 Y642 V647 R682 V696 | I571-V684 HydrophobicContact CD1-CG1 4.12Å; Y642-V684 HydrophobicContact CD1-CG1 3.86Å; Y642-V684 HydrophobicContact CE1-CG1 4.02Å; V647-V684 HydrophobicContact CG1-CG2 4.29Å; R682-V684 PolarHBondContact O-N 3.04Å; V684-V696 HydrophobicContact CB-CB 4.44Å; V684-V696 HydrophobicContact CB-CG1 4.07Å; V684-V696 WeakPolarHBondContact CB-O 3.5Å; V684-V696 HydrophobicContact CG1-CG1 4.39Å; V684-V696 PolarHBondContact N-O 2.74Å |
| 685 | G | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | -171.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W569 F683 V696 | W569-G685 CarbonylContact O-C 3.58Å; W569-G685 WeakPolarHBondContact O-CA 3.2Å; F683-G685 VanDerWaalsContact CE2-O 3.27Å; F683-G685 WeakPolarHBondContact CE2-O 3.21Å; F683-G685 WeakPolarHBondContact CZ-O 3.33Å; G685-V696 PolarHBondContact N-O 2.65Å; G685-V696 PolarHBondContact O-N 3.14Å |
| 686 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | W569 I571 L669 F683 C694 F769 | W569-A686 HydrophobicContact CE3-CB 4.19Å; W569-A686 HydrophobicContact CZ3-CB 4.29Å; W569-A686 PolarHBondContact O-N 2.97Å; I571-A686 PolarHBondContact N-O 3.33Å; L669-A686 HydrophobicContact CD2-CB 4.26Å; F683-A686 HydrophobicContact CZ-CB 4.1Å; A686-C694 CarbonylContact C-O 3.43Å; A686-C694 VanDerWaalsContact CA-O 3.28Å; A686-C694 WeakPolarHBondContact CA-O 3.4Å; A686-F769 HydrophobicContact CB-CE1 4.32Å |
| 687 | C | 88.2 | Confident | 89 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.9 | 168.5 | -166.5 | 0 | 0 | 0 | 0 | 109.4 | I571 L576 H692 Y693 C694 | I571-C687 WeakPolarHBondContact O-CA 3.37Å; I571-C687 WeakPolarHBondContact O-CB 3.47Å; I571-C687 PolarHBondContact O-SG 2.94Å; L576-C687 HydrophobicContact CD1-CB 4.45Å; C687-H692 PolarHBondContact SG-O 2.83Å; C687-Y693 WeakPolarHBondContact O-CA 3.31Å; C687-C694 WeakPolarHBondContact CB-SG 3.42Å; C687-C694 PolarHBondContact N-O 2.81Å; C687-C694 PolarHBondContact O-N 2.86Å; C687-C694 VanDerWaalsContact O-N 3.09Å |
| 688 | I | 86.4 | Confident | 89 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 17.1 | 178.8 | 55.1 | 160.4 | 0 | 0 | 0 | 112 | W569 R570 L661 Y693 F769 | W569-I688 HydrophobicContact CH2-CD1 3.97Å; W569-I688 HydrophobicContact CH2-CG1 4.46Å; W569-I688 HydrophobicContact CH2-CG2 4.4Å; W569-I688 HydrophobicContact CZ3-CD1 4.48Å; W569-I688 HydrophobicContact CZ3-CG2 4.19Å; R570-I688 HydrophobicContact CG-CG1 4.41Å; L661-I688 HydrophobicContact CD1-CD1 3.8Å; L661-I688 HydrophobicContact CD2-CD1 4.45Å; L661-I688 HydrophobicContact CG-CD1 4.39Å; I688-Y693 WeakPolarHBondContact O-CE1 3.39Å; I688-F769 HydrophobicContact CG2-CE2 3.98Å; I688-F769 HydrophobicContact CG2-CZ 3.84Å |
| 689 | D | 83.3 | Confident | 89 | Confident | 36 Ų | 36 | 26.6 Ų | 26.6 | 19% | 0.193 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.6 | -179.2 | -58.5 | -27 | 0 | 0 | 0 | 108.5 | R570 F572 W573 H692 | R570-D689 IonicContact CZ-OD1 3.38Å; R570-D689 IonicContact NE-OD1 3.66Å; R570-D689 IonicContact NH2-OD1 3.17Å; R570-D689 PolarHBondContact NH2-OD1 2.64Å; F572-D689 WeakPolarHBondContact CA-OD2 3.32Å; W573-D689 PolarHBondContact N-OD2 2.9Å; W573-D689 VanDerWaalsContact N-OD2 3.14Å; D689-H692 CarbonylContact O-C 3.55Å; D689-H692 VanDerWaalsContact O-C 3.29Å; D689-H692 WeakPolarHBondContact O-CA 3.46Å; D689-H692 PolarHBondContact O-N 3.46Å |
| 690 | A | 79.3 | Confident | 88.7 | Confident | 58 Ų | 58 | 26.4 Ų | 26.4 | 48% | 0.479 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 138 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | S657 Y693 | S657-A690 WeakPolarHBondContact O-CB 3.44Å; A690-Y693 HydrophobicContact CB-CE2 4.45Å; A690-Y693 WeakPolarHBondContact CB-OH 3.19Å |
| 691 | P | 77.8 | Confident | 88.2 | Confident | 99 Ų | 99 | 29 Ų | 29 | 64% | 0.643 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | 8.4 | 0.6 | 37 | -35.4 | 0 | 0 | 0 | 114.4 | Y693 | P691-Y693 PolarHBondContact O-N 3.16Š|
| 692 | H | 83.7 | Confident | 87.8 | Confident | 65 Ų | 65 | 32.7 Ų | 32.7 | 30% | 0.301 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 69.4 | -170.4 | -56.1 | -56.7 | 0 | 0 | 0 | 112.9 | W573 M651 C687 D689 C694 | W573-H692 AromaticContact CD1-CD2 3.52Å; W573-H692 HydrophobicContact CD2-CB 3.54Å; W573-H692 AromaticContact CD2-CD2 3.73Å; W573-H692 AromaticContact CD2-CG 3.66Å; W573-H692 AromaticContact CE2-CD2 3.56Å; W573-H692 AromaticContact CE2-CG 3.6Å; W573-H692 AromaticContact CE2-NE2 3.99Å; W573-H692 HydrophobicContact CE3-CB 3.46Å; W573-H692 VanDerWaalsContact CE3-CB 3.46Å; W573-H692 HydrophobicContact CG-CB 4.03Å; W573-H692 AromaticContact CG-CD2 3.71Å; W573-H692 HydrophobicContact CH2-CB 4.28Å; W573-H692 HydrophobicContact CZ2-CB 4.36Å; W573-H692 AromaticContact CZ2-CG 3.92Å; W573-H692 AromaticContact CZ2-ND1 3.93Å; W573-H692 HydrophobicContact CZ3-CB 3.85Å; W573-H692 AromaticContact NE1-CD2 3.4Å; W573-H692 PolarHBondContact NE1-CD2 2.83Å; W573-H692 AromaticContact NE1-CG 3.95Å; W573-H692 AromaticContact NE1-NE2 3.66Å; M651-H692 HydrophobicContact CE-CB 4.27Å; C687-H692 PolarHBondContact SG-O 2.83Å; D689-H692 CarbonylContact O-C 3.55Å; D689-H692 VanDerWaalsContact O-C 3.29Å; D689-H692 WeakPolarHBondContact O-CA 3.46Å; D689-H692 PolarHBondContact O-N 3.46Å; H692-C694 PolarHBondContact O-N 2.89Å |
| 693 | Y | 87 | Confident | 87.5 | Confident | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.3 | 172.5 | -58.7 | -70.9 | 0 | 0 | 0 | 110.6 | L652 I654 R656 S657 I659 C687 I688 A690 P691 | L652-Y693 PolarHBondContact N-O 2.84Å; I654-Y693 HydrophobicContact CB-CD2 3.65Å; I654-Y693 HydrophobicContact CB-CE2 4.08Å; I654-Y693 HydrophobicContact CB-CG 4.1Å; I654-Y693 HydrophobicContact CD1-CD1 4.44Å; I654-Y693 HydrophobicContact CD1-CD2 4.47Å; I654-Y693 HydrophobicContact CD1-CG 4.04Å; I654-Y693 HydrophobicContact CG1-CD2 4.47Å; I654-Y693 HydrophobicContact CG1-CG 4.47Å; I654-Y693 HydrophobicContact CG2-CD2 4.21Å; I654-Y693 HydrophobicContact CG2-CE2 4.16Å; R656-Y693 WeakPolarHBondContact O-CE2 3.39Å; R656-Y693 PolarHBondContact O-OH 2.98Å; S657-Y693 PolarHBondContact O-OH 3.03Å; I659-Y693 HydrophobicContact CD1-CD1 3.38Å; I659-Y693 HydrophobicContact CD1-CE1 3.38Å; I659-Y693 HydrophobicContact CD1-CG 4.2Å; I659-Y693 HydrophobicContact CG1-CD1 4.22Å; I659-Y693 HydrophobicContact CG1-CE1 3.7Å; C687-Y693 WeakPolarHBondContact O-CA 3.31Å; I688-Y693 WeakPolarHBondContact O-CE1 3.39Å; A690-Y693 HydrophobicContact CB-CE2 4.45Å; A690-Y693 WeakPolarHBondContact CB-OH 3.19Å; P691-Y693 PolarHBondContact O-N 3.16Å |
| 694 | C | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 151.5 | 178.7 | 74.6 | 0 | 0 | 0 | 0 | 114.2 | V649 K650 M651 A686 C687 H692 | V649-C694 HydrophobicContact CG1-CB 3.69Å; K650-C694 CarbonylContact O-C 3.52Å; K650-C694 WeakPolarHBondContact O-CA 3.42Å; K650-C694 WeakPolarHBondContact O-CB 3.48Å; M651-C694 HydrophobicContact SD-CB 3.68Å; A686-C694 CarbonylContact C-O 3.43Å; A686-C694 VanDerWaalsContact CA-O 3.28Å; A686-C694 WeakPolarHBondContact CA-O 3.4Å; C687-C694 WeakPolarHBondContact CB-SG 3.42Å; C687-C694 PolarHBondContact N-O 2.81Å; C687-C694 PolarHBondContact O-N 2.86Å; C687-C694 VanDerWaalsContact O-N 3.09Å; H692-C694 PolarHBondContact O-N 2.89Å |
| 695 | I | 90.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.3 | 170.3 | -68.5 | 167.5 | 0 | 0 | 0 | 108.1 | K650 L652 F683 T697 L766 F769 | K650-I695 PolarHBondContact N-O 3.17Å; K650-I695 PolarHBondContact O-N 3.33Å; L652-I695 HydrophobicContact CD1-CD1 3.99Å; L652-I695 HydrophobicContact CD1-CG1 4.02Å; L652-I695 HydrophobicContact CD2-CD1 4.19Å; L652-I695 HydrophobicContact CG-CD1 4.46Å; F683-I695 HydrophobicContact CD2-CG2 4.21Å; F683-I695 HydrophobicContact CE2-CG2 3.91Å; I695-T697 HydrophobicContact CG2-CG2 4.14Å; I695-L766 HydrophobicContact CD1-CD1 3.91Å; I695-L766 HydrophobicContact CG1-CD1 4.27Å; I695-F769 HydrophobicContact CD1-CD1 4.11Å; I695-F769 HydrophobicContact CD1-CE1 4.47Å; I695-F769 HydrophobicContact CG1-CD1 4.12Å; I695-F769 HydrophobicContact CG1-CE1 4.03Å |
| 696 | V | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.2 | -178.6 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | I571 L576 V647 A648 V649 V684 G685 | I571-V696 HydrophobicContact CD1-CB 3.87Å; I571-V696 HydrophobicContact CD1-CG1 4.16Å; I571-V696 HydrophobicContact CD1-CG2 3.93Å; L576-V696 HydrophobicContact CD1-CG2 3.98Å; L576-V696 HydrophobicContact CD2-CG1 4.45Å; L576-V696 HydrophobicContact CD2-CG2 4.16Å; V647-V696 HydrophobicContact CB-CG1 3.55Å; V647-V696 HydrophobicContact CG1-CG1 4.11Å; V647-V696 HydrophobicContact CG2-CG1 3.47Å; V647-V696 VanDerWaalsContact CG2-CG1 3.47Å; A648-V696 WeakPolarHBondContact O-CA 3.31Å; V649-V696 HydrophobicContact CG2-CG2 4.46Å; V684-V696 HydrophobicContact CB-CB 4.44Å; V684-V696 HydrophobicContact CB-CG1 4.07Å; V684-V696 WeakPolarHBondContact CB-O 3.5Å; V684-V696 HydrophobicContact CG1-CG1 4.39Å; V684-V696 PolarHBondContact N-O 2.74Å; G685-V696 PolarHBondContact N-O 2.65Å; G685-V696 PolarHBondContact O-N 3.14Å |
| 697 | T | 92.5 | Very high | 87.6 | Confident | 24 Ų | 24 | 31.4 Ų | 31.4 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 169.3 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | V647 A648 R682 I695 | V647-T697 WeakPolarHBondContact CB-O 3.38Å; A648-T697 PolarHBondContact N-O 2.82Å; A648-T697 PolarHBondContact O-N 3.04Å; R682-T697 WeakPolarHBondContact O-CA 3.41Å; I695-T697 HydrophobicContact CG2-CG2 4.14Å |
| 698 | E | 91.3 | Very high | 87.5 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 145 | 169.9 | 68.9 | -179.7 | 141.1 | 0 | 0 | 111.7 | T681 R682 K760 | T681-E698 VanDerWaalsContact CA-OE1 3.26Å; T681-E698 WeakPolarHBondContact CA-OE1 3.29Å; T681-E698 HydrophobicContact CG2-CG 4.34Å; R682-E698 HydrophobicContact CB-CG 4.45Å; R682-E698 PolarHBondContact N-OE1 3.38Å; R682-E698 PolarHBondContact O-N 3.29Å; R682-E698 VanDerWaalsContact O-N 3.11Å; E698-K760 WeakPolarHBondContact OE1-CD 3.46Å; E698-K760 IonicContact OE1-NZ 4Å; E698-K760 PolarHBondContact OE1-NZ 3.22Å; E698-K760 IonicContact OE2-NZ 3.72Å; E698-K760 PolarHBondContact OE2-NZ 3.41Å |
| 699 | Y | 91.2 | Very high | 87.6 | Confident | 54 Ų | 54 | 31.2 Ų | 31.2 | 21% | 0.212 | 17% | 0.174 | C | C | . | . | trans | -90.6 | 130.1 | 177 | 177.4 | -115.6 | 0 | 0 | 0 | 111.4 | T637 V639 I646 A648 P701 | T637-Y699 HydrophobicContact CG2-CD2 4.06Å; T637-Y699 HydrophobicContact CG2-CE2 3.92Å; V639-Y699 HydrophobicContact CG1-CD2 3.54Å; V639-Y699 HydrophobicContact CG1-CE2 3.56Å; V639-Y699 HydrophobicContact CG1-CG 4.05Å; I646-Y699 HydrophobicContact CB-CD1 4.5Å; I646-Y699 HydrophobicContact CG2-CD1 3.73Å; I646-Y699 HydrophobicContact CG2-CE1 4.41Å; I646-Y699 HydrophobicContact CG2-CG 4.02Å; A648-Y699 HydrophobicContact CB-CD2 4.3Å; Y699-P701 HydrophobicContact CD1-CB 4.45Å; Y699-P701 HydrophobicContact CE1-CB 3.9Å | ||
| 700 | C | 89.8 | Confident | 87.7 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | trans | -106 | 106.6 | 177.7 | -74.4 | 0 | 0 | 0 | 0 | 109.6 | K702 G703 V752 V753 | C700-K702 VanDerWaalsContact C-N 3.29Å; C700-K702 PolarHBondContact O-N 2.69Å; C700-G703 PolarHBondContact O-N 2.92Å; C700-V752 HydrophobicContact CB-CB 3.76Å; C700-V752 HydrophobicContact CB-CG2 3.82Å; C700-V752 VanDerWaalsContact SG-CG2 3.55Å; C700-V753 CarbonylContact C-O 3.49Å; C700-V753 WeakPolarHBondContact CB-O 3.4Å | ||
| 701 | P | 83.5 | Confident | 87.7 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.8 | -165.2 | 27.9 | -35.8 | 0 | 0 | 0 | 115.3 | Y699 G703 | Y699-P701 HydrophobicContact CD1-CB 4.45Å; Y699-P701 HydrophobicContact CE1-CB 3.9Å; P701-G703 VanDerWaalsContact C-N 3.3Å |
| 702 | K | 82.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 36% | 0.361 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.1 | 177.9 | -59.8 | -62.4 | -174.4 | -179.2 | 0 | 113.3 | C700 V753 D754 F757 | C700-K702 VanDerWaalsContact C-N 3.29Å; C700-K702 PolarHBondContact O-N 2.69Å; K702-V753 HydrophobicContact CB-CB 3.94Å; K702-V753 HydrophobicContact CB-CG1 3.98Å; K702-V753 WeakPolarHBondContact CB-O 3.27Å; K702-V753 HydrophobicContact CG-CG1 4.27Å; K702-V753 PolarHBondContact N-O 2.68Å; K702-D754 VanDerWaalsContact CG-O 3.27Å; K702-D754 WeakPolarHBondContact CG-O 3.45Å; K702-F757 HydrophobicContact CD-CE1 4.38Å; K702-F757 HydrophobicContact CD-CZ 4.24Å; K702-F757 HydrophobicContact CG-CE1 4.47Å |
| 703 | G | 87.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | trans | 80 | -161.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C700 P701 V752 V753 | C700-G703 PolarHBondContact O-N 2.92Å; P701-G703 VanDerWaalsContact C-N 3.3Å; G703-V752 WeakPolarHBondContact O-CA 3.32Å; G703-V753 PolarHBondContact O-N 2.94Å | ||
| 704 | S | 92 | Very high | 86.1 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -85.4 | 166 | 176.3 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | Q706 D707 I708 T749 C751 | S704-Q706 PolarHBondContact O-N 3.08Å; S704-Q706 PolarHBondContact OG-N 3.3Å; S704-D707 WeakPolarHBondContact CA-OD2 3.18Å; S704-D707 WeakPolarHBondContact CB-OD2 3.32Å; S704-D707 PolarHBondContact N-OD2 3.24Å; S704-D707 WeakPolarHBondContact O-CB 3.48Å; S704-D707 PolarHBondContact O-N 3.14Å; S704-D707 VanDerWaalsContact O-N 3.15Å; S704-D707 VanDerWaalsContact OG-CG 3.28Å; S704-D707 PolarHBondContact OG-N 3.18Å; S704-D707 PolarHBondContact OG-OD2 2.97Å; S704-I708 PolarHBondContact O-N 2.96Å; S704-T749 WeakPolarHBondContact CB-O 3.34Å; S704-C751 CarbonylContact C-O 3.52Å; S704-C751 WeakPolarHBondContact CA-O 3.39Å |
| 705 | L | 92.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 174.5 | 177.7 | 63.6 | 0 | 0 | 0 | 110.2 | I708 L709 L724 I728 S748 C751 L759 I817 M821 | L705-I708 PolarHBondContact O-N 2.76Å; L705-L709 HydrophobicContact CD1-CD1 4.34Å; L705-L709 HydrophobicContact CD1-CG 4.25Å; L705-L709 HydrophobicContact CG-CD1 3.91Å; L705-L709 HydrophobicContact CG-CG 4.28Å; L705-L709 WeakPolarHBondContact O-CB 3.42Å; L705-L709 WeakPolarHBondContact O-CG 3.26Å; L705-L709 PolarHBondContact O-N 3.4Å; L705-L724 HydrophobicContact CD1-CD1 3.97Å; L705-I728 HydrophobicContact CD2-CD1 4.11Å; L705-S748 WeakPolarHBondContact CB-O 3.35Å; L705-S748 PolarHBondContact N-O 3.42Å; L705-C751 HydrophobicContact CB-CB 3.84Å; L705-C751 WeakPolarHBondContact CB-O 3.43Å; L705-C751 HydrophobicContact CD2-CB 4.21Å; L705-C751 PolarHBondContact N-O 3.48Å; L705-L759 HydrophobicContact CB-CD1 4.5Å; L705-L759 HydrophobicContact CD1-CD1 4.36Å; L705-L759 HydrophobicContact CD2-CD1 4.21Å; L705-I817 HydrophobicContact CD2-CG2 3.76Å; L705-M821 HydrophobicContact CD1-CE 4.37Å; L705-M821 HydrophobicContact CD2-CG 3.99Å; L705-M821 HydrophobicContact CD2-SD 3.82Å |
| 706 | Q | 90.9 | Very high | 84.6 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 174.9 | -170.7 | 174.1 | -23.1 | 0 | 0 | 111.5 | S704 I708 L709 E710 T749 | S704-Q706 PolarHBondContact O-N 3.08Å; S704-Q706 PolarHBondContact OG-N 3.3Å; Q706-I708 VanDerWaalsContact C-N 3.26Å; Q706-I708 PolarHBondContact O-N 3.48Å; Q706-L709 PolarHBondContact O-N 2.97Å; Q706-L709 VanDerWaalsContact O-N 3.11Å; Q706-E710 HydrophobicContact CG-CG 4.38Å; Q706-E710 WeakPolarHBondContact CG-OE1 3.29Å; Q706-E710 PolarHBondContact NE2-OE1 3.03Å; Q706-E710 WeakPolarHBondContact O-CB 3.37Å; Q706-E710 WeakPolarHBondContact O-CG 3.48Å; Q706-E710 PolarHBondContact O-N 3.45Å; Q706-T749 HydrophobicContact CB-CG2 4.29Å |
| 707 | D | 88.6 | Confident | 83.8 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 177.5 | -56.9 | -56.2 | 0 | 0 | 0 | 112.1 | F636 S704 N711 | F636-D707 HydrophobicContact CD1-CB 4.07Å; F636-D707 WeakPolarHBondContact CD1-OD2 3.48Å; F636-D707 HydrophobicContact CE1-CB 3.63Å; F636-D707 VanDerWaalsContact CE1-CG 3.45Å; F636-D707 HydrophobicContact CZ-CB 4.29Å; S704-D707 WeakPolarHBondContact CA-OD2 3.18Å; S704-D707 WeakPolarHBondContact CB-OD2 3.32Å; S704-D707 PolarHBondContact N-OD2 3.24Å; S704-D707 WeakPolarHBondContact O-CB 3.48Å; S704-D707 PolarHBondContact O-N 3.14Å; S704-D707 VanDerWaalsContact O-N 3.15Å; S704-D707 VanDerWaalsContact OG-CG 3.28Å; S704-D707 PolarHBondContact OG-N 3.18Å; S704-D707 PolarHBondContact OG-OD2 2.97Å; D707-N711 WeakPolarHBondContact O-CB 3.27Å; D707-N711 PolarHBondContact O-N 3.02Å |
| 708 | I | 86.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.1 | -36.9 | 177.1 | -65.2 | 170.2 | 0 | 0 | 0 | 111.6 | S704 L705 Q706 I714 L716 V753 | S704-I708 PolarHBondContact O-N 2.96Å; L705-I708 PolarHBondContact O-N 2.76Å; Q706-I708 VanDerWaalsContact C-N 3.26Å; Q706-I708 PolarHBondContact O-N 3.48Å; I708-I714 HydrophobicContact CG1-CD1 4.44Å; I708-I714 HydrophobicContact CG2-CD1 4.25Å; I708-I714 HydrophobicContact CG2-CG2 4.22Å; I708-L716 HydrophobicContact CG2-CD1 4.08Å; I708-L716 HydrophobicContact CG2-CD2 4.33Å; I708-L716 HydrophobicContact CG2-CG 4.39Å; I708-V753 HydrophobicContact CD1-CB 3.72Å; I708-V753 HydrophobicContact CD1-CG1 4.11Å; I708-V753 HydrophobicContact CD1-CG2 3.46Å; I708-V753 VanDerWaalsContact CD1-CG2 3.46Å |
| 709 | L | 88.2 | Confident | 82.4 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 179.4 | -69.5 | 171.2 | 0 | 0 | 0 | 111.8 | L705 Q706 L716 E820 M821 R824 | L705-L709 HydrophobicContact CD1-CD1 4.34Å; L705-L709 HydrophobicContact CD1-CG 4.25Å; L705-L709 HydrophobicContact CG-CD1 3.91Å; L705-L709 HydrophobicContact CG-CG 4.28Å; L705-L709 WeakPolarHBondContact O-CB 3.42Å; L705-L709 WeakPolarHBondContact O-CG 3.26Å; L705-L709 PolarHBondContact O-N 3.4Å; Q706-L709 PolarHBondContact O-N 2.97Å; Q706-L709 VanDerWaalsContact O-N 3.11Å; L709-L716 HydrophobicContact CD2-CD1 3.59Å; L709-E820 HydrophobicContact CD1-CB 4.02Å; L709-M821 HydrophobicContact CD1-CG 4.23Å; L709-M821 HydrophobicContact CD2-CG 4.39Å; L709-R824 HydrophobicContact CD2-CG 3.95Å; L709-R824 PolarHBondContact O-NH1 2.91Å |
| 710 | E | 85.2 | Confident | 81.8 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 61% | 0.607 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72 | -26.6 | 177 | -70.8 | 178.1 | -173.4 | 0 | 0 | 112.7 | Q706 S712 | Q706-E710 HydrophobicContact CG-CG 4.38Å; Q706-E710 WeakPolarHBondContact CG-OE1 3.29Å; Q706-E710 PolarHBondContact NE2-OE1 3.03Å; Q706-E710 WeakPolarHBondContact O-CB 3.37Å; Q706-E710 WeakPolarHBondContact O-CG 3.48Å; Q706-E710 PolarHBondContact O-N 3.45Å; E710-S712 PolarHBondContact O-N 3.32Å |
| 711 | N | 78.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | trans | -77 | 105.7 | 177 | -167.6 | -24 | 0 | 0 | 0 | 112.1 | D707 G713 I714 R824 | D707-N711 WeakPolarHBondContact O-CB 3.27Å; D707-N711 PolarHBondContact O-N 3.02Å; N711-G713 VanDerWaalsContact C-N 3.26Å; N711-G713 PolarHBondContact O-N 3.3Å; N711-G713 WeakPolarHBondContact OD1-CA 3.44Å; N711-G713 PolarHBondContact OD1-N 2.96Å; N711-I714 HydrophobicContact CB-CD1 4.14Å; N711-I714 HydrophobicContact CB-CG1 4.3Å; N711-I714 PolarHBondContact O-N 3.46Å; N711-R824 PolarHBondContact O-NH1 2.94Å | ||
| 712 | S | 74 | Confident | 81.7 | Confident | 115 Ų | 115 | 51 Ų | 51 | 80% | 0.804 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.5 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | E710 I714 | E710-S712 PolarHBondContact O-N 3.32Å; S712-I714 VanDerWaalsContact C-N 3.32Å; S712-I714 PolarHBondContact O-N 3.42Å |
| 713 | G | 68.9 | Low | 81.8 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 66% | 0.66 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N711 K715 | N711-G713 VanDerWaalsContact C-N 3.26Å; N711-G713 PolarHBondContact O-N 3.3Å; N711-G713 WeakPolarHBondContact OD1-CA 3.44Å; N711-G713 PolarHBondContact OD1-N 2.96Å; G713-K715 PolarHBondContact O-N 3.34Å |
| 714 | I | 71.1 | Confident | 81.9 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -88.1 | 103.4 | 177.2 | -57.7 | 174.2 | 0 | 0 | 0 | 108.9 | I708 N711 S712 L716 R824 Y913 | I708-I714 HydrophobicContact CG1-CD1 4.44Å; I708-I714 HydrophobicContact CG2-CD1 4.25Å; I708-I714 HydrophobicContact CG2-CG2 4.22Å; N711-I714 HydrophobicContact CB-CD1 4.14Å; N711-I714 HydrophobicContact CB-CG1 4.3Å; N711-I714 PolarHBondContact O-N 3.46Å; S712-I714 VanDerWaalsContact C-N 3.32Å; S712-I714 PolarHBondContact O-N 3.42Å; I714-L716 PolarHBondContact O-N 3.28Å; I714-L716 VanDerWaalsContact O-N 3.11Å; I714-R824 PolarHBondContact O-NH1 3.1Å; I714-R824 PolarHBondContact O-NH2 3.07Å; I714-Y913 WeakPolarHBondContact CG2-OH 3.45Å |
| 715 | K | 72 | Confident | 81.9 | Confident | 193 Ų | 193 | 47.9 Ų | 47.9 | 84% | 0.839 | 26% | 0.258 | S | S | * | . | trans | -71.6 | 101 | 173.4 | -66.3 | -173.7 | 178.5 | -178.2 | 0 | 110.2 | G713 D717 | G713-K715 PolarHBondContact O-N 3.34Å; K715-D717 PolarHBondContact O-N 3.11Å | ||
| 716 | L | 76.2 | Confident | 81.8 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | trans | -82.8 | 93.6 | 169.6 | -69.1 | 157.2 | 0 | 0 | 0 | 108.2 | I708 L709 I714 M720 R721 L724 | I708-L716 HydrophobicContact CG2-CD1 4.08Å; I708-L716 HydrophobicContact CG2-CD2 4.33Å; I708-L716 HydrophobicContact CG2-CG 4.39Å; L709-L716 HydrophobicContact CD2-CD1 3.59Å; I714-L716 PolarHBondContact O-N 3.28Å; I714-L716 VanDerWaalsContact O-N 3.11Å; L716-M720 HydrophobicContact CD2-CB 3.99Å; L716-M720 HydrophobicContact CD2-CE 3.78Å; L716-M720 HydrophobicContact CD2-CG 3.49Å; L716-M720 VanDerWaalsContact CD2-CG 3.49Å; L716-M720 HydrophobicContact CD2-SD 3.51Å; L716-M720 VanDerWaalsContact CD2-SD 3.51Å; L716-R721 HydrophobicContact CB-CG 3.87Å; L716-R721 PolarHBondContact O-NE 3.2Å; L716-R721 PolarHBondContact O-NH2 2.77Å; L716-R721 VanDerWaalsContact O-NH2 3.17Å; L716-L724 HydrophobicContact CD2-CD1 3.65Å | ||
| 717 | D | 75.5 | Confident | 81.8 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 32% | 0.316 | 26% | 0.26 | S | S | . | . | trans | -62.9 | 164.7 | 167.3 | 69.5 | -6.6 | 0 | 0 | 0 | 111 | K715 M719 M720 R721 | K715-D717 PolarHBondContact O-N 3.11Å; D717-M719 PolarHBondContact O-N 2.83Å; D717-M719 VanDerWaalsContact O-N 3.14Å; D717-M720 PolarHBondContact O-N 3.39Å; D717-M720 WeakPolarHBondContact OD1-CB 3.44Å; D717-M720 PolarHBondContact OD1-N 3.43Å; D717-R721 WeakPolarHBondContact O-CG 3.09Å; D717-R721 PolarHBondContact O-N 2.87Å; D717-R721 VanDerWaalsContact O-N 3.16Å | ||
| 718 | K | 79 | Confident | 82.2 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.6 | -40.4 | -179.8 | -76.2 | -172.5 | 173.7 | -169.9 | 0 | 111.1 | R721 Y722 N860 | K718-R721 PolarHBondContact O-N 3.46Å; K718-Y722 HydrophobicContact CB-CD2 4.4Å; K718-Y722 HydrophobicContact CB-CE2 4.26Å; K718-Y722 WeakPolarHBondContact O-CD2 3.32Å; K718-Y722 PolarHBondContact O-N 3.29Å; K718-N860 WeakPolarHBondContact CE-O 3.48Å; K718-N860 PolarHBondContact NZ-O 3.4Å |
| 719 | M | 75 | Confident | 82.5 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -46.7 | -177.7 | -162.3 | -172.9 | -161.8 | 0 | 0 | 113.4 | D717 R721 Y722 S723 F897 N905 R909 | D717-M719 PolarHBondContact O-N 2.83Å; D717-M719 VanDerWaalsContact O-N 3.14Å; M719-R721 VanDerWaalsContact C-N 3.28Å; M719-R721 PolarHBondContact O-N 3.15Å; M719-Y722 PolarHBondContact O-N 3.4Å; M719-S723 WeakPolarHBondContact O-CB 3.14Å; M719-S723 PolarHBondContact O-N 3.38Å; M719-F897 HydrophobicContact CB-CE1 4.26Å; M719-F897 HydrophobicContact CE-CB 4.08Å; M719-F897 HydrophobicContact CE-CD1 3.76Å; M719-F897 HydrophobicContact CE-CG 4.3Å; M719-F897 HydrophobicContact CG-CD1 3.91Å; M719-F897 HydrophobicContact CG-CE1 4.13Å; M719-F897 HydrophobicContact SD-CD1 4.27Å; M719-N905 HydrophobicContact CE-CB 3.63Å; M719-N905 WeakPolarHBondContact CE-ND2 3.28Å; M719-N905 WeakPolarHBondContact CE-OD1 3.26Å; M719-N905 HydrophobicContact SD-CB 4.18Å; M719-N905 PolarHBondContact SD-OD1 2.86Å; M719-R909 PolarHBondContact O-NH2 3.36Å |
| 720 | M | 79.2 | Confident | 82.8 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 178.2 | -168.8 | 173.4 | 173.2 | 0 | 0 | 110.6 | L716 D717 S723 L724 F757 | L716-M720 HydrophobicContact CD2-CB 3.99Å; L716-M720 HydrophobicContact CD2-CE 3.78Å; L716-M720 HydrophobicContact CD2-CG 3.49Å; L716-M720 VanDerWaalsContact CD2-CG 3.49Å; L716-M720 HydrophobicContact CD2-SD 3.51Å; L716-M720 VanDerWaalsContact CD2-SD 3.51Å; D717-M720 PolarHBondContact O-N 3.39Å; D717-M720 WeakPolarHBondContact OD1-CB 3.44Å; D717-M720 PolarHBondContact OD1-N 3.43Å; M720-S723 WeakPolarHBondContact O-CB 3.02Å; M720-S723 PolarHBondContact O-N 3.49Å; M720-L724 HydrophobicContact CG-CD1 4.39Å; M720-L724 VanDerWaalsContact O-CG 3.3Å; M720-L724 WeakPolarHBondContact O-CG 3.34Å; M720-L724 PolarHBondContact O-N 3.13Å; M720-F757 HydrophobicContact CE-CD1 3.63Å; M720-F757 HydrophobicContact CE-CE1 4.02Å |
| 721 | R | 84.6 | Confident | 83.2 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -51.9 | 173.3 | -61.7 | 177.6 | -160.6 | -158.9 | 3.9 | 111.5 | L716 D717 K718 M719 S723 L724 I725 M821 L822 F861 | L716-R721 HydrophobicContact CB-CG 3.87Å; L716-R721 PolarHBondContact O-NE 3.2Å; L716-R721 PolarHBondContact O-NH2 2.77Å; L716-R721 VanDerWaalsContact O-NH2 3.17Å; D717-R721 WeakPolarHBondContact O-CG 3.09Å; D717-R721 PolarHBondContact O-N 2.87Å; D717-R721 VanDerWaalsContact O-N 3.16Å; K718-R721 PolarHBondContact O-N 3.46Å; M719-R721 VanDerWaalsContact C-N 3.28Å; M719-R721 PolarHBondContact O-N 3.15Å; R721-S723 VanDerWaalsContact C-N 3.26Å; R721-S723 PolarHBondContact O-N 3.44Å; R721-L724 PolarHBondContact O-N 3.5Å; R721-I725 WeakPolarHBondContact O-CD1 3.22Å; R721-I725 WeakPolarHBondContact O-CG1 3.32Å; R721-I725 PolarHBondContact O-N 3.39Å; R721-M821 PolarHBondContact NH1-O 2.73Å; R721-M821 WeakPolarHBondContact O-CE 3.27Å; R721-L822 PolarHBondContact NH1-O 3.35Å; R721-F861 VanDerWaalsContact NH1-CZ 3.29Å |
| 722 | Y | 86.2 | Confident | 84 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 178.4 | -74.9 | -57.8 | 0 | 0 | 0 | 112.8 | K718 M719 I725 H726 D862 I865 L893 F897 | K718-Y722 HydrophobicContact CB-CD2 4.4Å; K718-Y722 HydrophobicContact CB-CE2 4.26Å; K718-Y722 WeakPolarHBondContact O-CD2 3.32Å; K718-Y722 PolarHBondContact O-N 3.29Å; M719-Y722 PolarHBondContact O-N 3.4Å; Y722-I725 HydrophobicContact CD1-CD1 4.32Å; Y722-I725 PolarHBondContact O-N 2.85Å; Y722-H726 WeakPolarHBondContact O-CB 3.43Å; Y722-H726 PolarHBondContact O-N 3.45Å; Y722-D862 PolarHBondContact OH-OD2 3.14Å; Y722-I865 HydrophobicContact CD1-CD1 4.1Å; Y722-I865 HydrophobicContact CE1-CB 4.46Å; Y722-I865 HydrophobicContact CE1-CD1 3.51Å; Y722-L893 HydrophobicContact CE1-CD1 4.11Å; Y722-F897 HydrophobicContact CD2-CE2 4.32Å |
| 723 | S | 85.3 | Confident | 85 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 174.6 | -168 | 0 | 0 | 0 | 0 | 112.2 | M719 M720 R721 I725 H726 D727 R909 | M719-S723 WeakPolarHBondContact O-CB 3.14Å; M719-S723 PolarHBondContact O-N 3.38Å; M720-S723 WeakPolarHBondContact O-CB 3.02Å; M720-S723 PolarHBondContact O-N 3.49Å; R721-S723 VanDerWaalsContact C-N 3.26Å; R721-S723 PolarHBondContact O-N 3.44Å; S723-I725 VanDerWaalsContact C-N 3.29Å; S723-I725 PolarHBondContact O-N 3.24Å; S723-H726 PolarHBondContact O-N 3.45Å; S723-D727 VanDerWaalsContact O-CG 3.31Å; S723-D727 PolarHBondContact O-N 2.92Å; S723-R909 VanDerWaalsContact CB-NH2 3.25Å; S723-R909 PolarHBondContact OG-NH1 3.09Å; S723-R909 PolarHBondContact OG-NH2 2.95Å |
| 724 | L | 90 | Very high | 86.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -37.9 | 178.3 | -67.9 | 171.6 | 0 | 0 | 0 | 111.1 | L705 L716 M720 R721 D727 I728 V753 L759 M821 | L705-L724 HydrophobicContact CD1-CD1 3.97Å; L716-L724 HydrophobicContact CD2-CD1 3.65Å; M720-L724 HydrophobicContact CG-CD1 4.39Å; M720-L724 VanDerWaalsContact O-CG 3.3Å; M720-L724 WeakPolarHBondContact O-CG 3.34Å; M720-L724 PolarHBondContact O-N 3.13Å; R721-L724 PolarHBondContact O-N 3.5Å; L724-D727 PolarHBondContact O-N 2.87Å; L724-I728 VanDerWaalsContact O-CG1 3.31Å; L724-I728 WeakPolarHBondContact O-CG1 3.2Å; L724-I728 PolarHBondContact O-N 2.76Å; L724-V753 HydrophobicContact CD2-CG2 4.31Å; L724-L759 HydrophobicContact CB-CD1 4.19Å; L724-L759 HydrophobicContact CD2-CB 3.86Å; L724-L759 HydrophobicContact CD2-CD1 4Å; L724-M821 HydrophobicContact CB-CE 3.42Å; L724-M821 VanDerWaalsContact CB-CE 3.42Å; L724-M821 HydrophobicContact CD1-CE 4.23Å; L724-M821 HydrophobicContact CG-CE 4.48Å |
| 725 | I | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.9 | -69.2 | 164.9 | 0 | 0 | 0 | 110.6 | R721 Y722 S723 D727 I728 I729 F814 L818 M821 I865 V890 | R721-I725 WeakPolarHBondContact O-CD1 3.22Å; R721-I725 WeakPolarHBondContact O-CG1 3.32Å; R721-I725 PolarHBondContact O-N 3.39Å; Y722-I725 HydrophobicContact CD1-CD1 4.32Å; Y722-I725 PolarHBondContact O-N 2.85Å; S723-I725 VanDerWaalsContact C-N 3.29Å; S723-I725 PolarHBondContact O-N 3.24Å; I725-D727 VanDerWaalsContact C-N 3.32Å; I725-D727 PolarHBondContact O-N 2.61Å; I725-I728 PolarHBondContact O-N 3.49Å; I725-I729 HydrophobicContact CG2-CD1 3.79Å; I725-I729 VanDerWaalsContact O-CG1 3.29Å; I725-I729 WeakPolarHBondContact O-CG1 3.38Å; I725-I729 PolarHBondContact O-N 3.21Å; I725-F814 HydrophobicContact CG2-CZ 4.05Å; I725-L818 HydrophobicContact CB-CD2 4.39Å; I725-L818 HydrophobicContact CD1-CD2 3.73Å; I725-L818 HydrophobicContact CG1-CD2 3.64Å; I725-L818 HydrophobicContact CG2-CD2 3.85Å; I725-M821 HydrophobicContact CD1-CE 4.41Å; I725-M821 HydrophobicContact CG1-CE 3.63Å; I725-M821 HydrophobicContact CG1-SD 3.84Å; I725-I865 HydrophobicContact CD1-CD1 3.59Å; I725-V890 HydrophobicContact CG2-CG1 4.17Å |
| 726 | H | 90.3 | Very high | 88.4 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 17% | 0.167 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | -178.9 | -166.7 | -117.6 | 0 | 0 | 0 | 112.4 | Y722 S723 I729 K730 | Y722-H726 WeakPolarHBondContact O-CB 3.43Å; Y722-H726 PolarHBondContact O-N 3.45Å; S723-H726 PolarHBondContact O-N 3.45Å; H726-I729 PolarHBondContact O-N 2.94Å; H726-K730 WeakPolarHBondContact CE1-CE 3.41Å; H726-K730 WeakPolarHBondContact ND1-CE 3.49Å; H726-K730 WeakPolarHBondContact O-CG 3.32Å; H726-K730 PolarHBondContact O-N 2.87Å |
| 727 | D | 92.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -44 | 174.6 | -71.5 | -4.5 | 0 | 0 | 0 | 111.6 | H679 S723 L724 I725 I729 K730 G731 L759 | H679-D727 WeakPolarHBondContact CB-O 3.33Å; H679-D727 IonicContact CE1-OD1 3.89Å; H679-D727 PolarHBondContact CE1-OD1 3.05Å; H679-D727 IonicContact CE1-OD2 3.9Å; H679-D727 WeakPolarHBondContact ND1-CB 3.27Å; H679-D727 IonicContact ND1-OD1 3.82Å; H679-D727 IonicContact NE2-OD1 3.87Å; S723-D727 VanDerWaalsContact O-CG 3.31Å; S723-D727 PolarHBondContact O-N 2.92Å; L724-D727 PolarHBondContact O-N 2.87Å; I725-D727 VanDerWaalsContact C-N 3.32Å; I725-D727 PolarHBondContact O-N 2.61Å; D727-I729 VanDerWaalsContact C-N 3.35Å; D727-I729 PolarHBondContact O-N 2.81Å; D727-K730 PolarHBondContact O-N 3.26Å; D727-G731 PolarHBondContact O-N 3.01Å; D727-L759 HydrophobicContact CB-CB 3.82Å; D727-L759 PolarHBondContact OD2-N 2.63Å; D727-L759 VanDerWaalsContact OD2-N 3.17Å |
| 728 | I | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 173.7 | -62.4 | 162.6 | 0 | 0 | 0 | 110.4 | L705 L724 I725 K730 G731 M732 L759 I761 F814 I817 M821 | L705-I728 HydrophobicContact CD2-CD1 4.11Å; L724-I728 VanDerWaalsContact O-CG1 3.31Å; L724-I728 WeakPolarHBondContact O-CG1 3.2Å; L724-I728 PolarHBondContact O-N 2.76Å; I725-I728 PolarHBondContact O-N 3.49Å; I728-K730 VanDerWaalsContact C-N 3.34Å; I728-K730 PolarHBondContact O-N 3.4Å; I728-G731 PolarHBondContact O-N 3.44Å; I728-M732 HydrophobicContact CG2-CG 4.21Å; I728-M732 WeakPolarHBondContact O-CB 3.39Å; I728-M732 WeakPolarHBondContact O-CG 3.45Å; I728-M732 PolarHBondContact O-N 2.86Å; I728-L759 HydrophobicContact CB-CD2 4.43Å; I728-L759 HydrophobicContact CD1-CD1 3.86Å; I728-L759 HydrophobicContact CG1-CD1 3.62Å; I728-L759 HydrophobicContact CG1-CD2 3.44Å; I728-L759 VanDerWaalsContact CG1-CD2 3.44Å; I728-L759 HydrophobicContact CG1-CG 4.17Å; I728-I761 HydrophobicContact CG2-CD1 4.25Å; I728-F814 HydrophobicContact CB-CD2 4.46Å; I728-F814 HydrophobicContact CB-CE2 4.08Å; I728-F814 HydrophobicContact CG2-CD2 3.61Å; I728-F814 HydrophobicContact CG2-CE2 3.72Å; I728-I817 HydrophobicContact CD1-CG2 4.01Å; I728-M821 HydrophobicContact CD1-SD 4.01Å |
| 729 | I | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 179.6 | -67.9 | 164.1 | 0 | 0 | 0 | 110.9 | I725 H726 D727 M732 L733 F814 F883 V886 R887 V890 | I725-I729 HydrophobicContact CG2-CD1 3.79Å; I725-I729 VanDerWaalsContact O-CG1 3.29Å; I725-I729 WeakPolarHBondContact O-CG1 3.38Å; I725-I729 PolarHBondContact O-N 3.21Å; H726-I729 PolarHBondContact O-N 2.94Å; D727-I729 VanDerWaalsContact C-N 3.35Å; D727-I729 PolarHBondContact O-N 2.81Å; I729-M732 PolarHBondContact O-N 2.86Å; I729-L733 HydrophobicContact CG2-CD1 3.92Å; I729-L733 HydrophobicContact CG2-CG 4.37Å; I729-L733 WeakPolarHBondContact O-CB 3.01Å; I729-L733 VanDerWaalsContact O-CG 3.26Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.32Å; I729-F814 HydrophobicContact CD1-CZ 4Å; I729-F814 HydrophobicContact CG1-CE1 4.4Å; I729-F814 HydrophobicContact CG1-CE2 4.07Å; I729-F814 HydrophobicContact CG1-CZ 3.64Å; I729-F883 HydrophobicContact CG1-CD1 4.4Å; I729-V886 HydrophobicContact CD1-CG1 3.83Å; I729-V886 HydrophobicContact CG1-CG1 4.11Å; I729-R887 HydrophobicContact CG2-CB 3.7Å; I729-R887 HydrophobicContact CG2-CG 4.14Å; I729-V890 HydrophobicContact CD1-CB 4.1Å; I729-V890 HydrophobicContact CD1-CG1 4.23Å; I729-V890 HydrophobicContact CD1-CG2 3.98Å |
| 730 | K | 93.8 | Very high | 90.8 | Very high | 78 Ų | 78 | 29.5 Ų | 29.5 | 34% | 0.339 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.8 | -74.9 | 175.9 | 176 | 171.6 | 0 | 112.2 | H679 H726 D727 I728 F734 | H679-K730 HydrophobicContact CB-CB 4.46Å; H679-K730 VanDerWaalsContact CD2-CB 3.47Å; H679-K730 WeakPolarHBondContact CD2-CB 3.1Å; H679-K730 WeakPolarHBondContact NE2-CD 3.5Å; H726-K730 WeakPolarHBondContact CE1-CE 3.41Å; H726-K730 WeakPolarHBondContact ND1-CE 3.49Å; H726-K730 WeakPolarHBondContact O-CG 3.32Å; H726-K730 PolarHBondContact O-N 2.87Å; D727-K730 PolarHBondContact O-N 3.26Å; I728-K730 VanDerWaalsContact C-N 3.34Å; I728-K730 PolarHBondContact O-N 3.4Å; K730-F734 PolarHBondContact O-N 3.11Å; K730-F734 VanDerWaalsContact O-N 3.12Å |
| 731 | G | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D727 I728 F734 I735 | D727-G731 PolarHBondContact O-N 3.01Å; I728-G731 PolarHBondContact O-N 3.44Å; G731-F734 WeakPolarHBondContact O-CB 3.17Å; G731-F734 PolarHBondContact O-N 3.23Å; G731-I735 WeakPolarHBondContact O-CG1 3.48Å; G731-I735 PolarHBondContact O-N 3.11Å |
| 732 | M | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 179.3 | -71.4 | -53.1 | -54.4 | 0 | 0 | 113.2 | I728 I729 F734 I735 H736 H743 L746 I761 D810 F883 | I728-M732 HydrophobicContact CG2-CG 4.21Å; I728-M732 WeakPolarHBondContact O-CB 3.39Å; I728-M732 WeakPolarHBondContact O-CG 3.45Å; I728-M732 PolarHBondContact O-N 2.86Å; I729-M732 PolarHBondContact O-N 2.86Å; M732-F734 VanDerWaalsContact C-N 3.26Å; M732-F734 PolarHBondContact O-N 3.48Å; M732-I735 PolarHBondContact O-N 3.48Å; M732-I735 HydrophobicContact SD-CD1 4.17Å; M732-H736 WeakPolarHBondContact CE-NE2 3.43Å; M732-H736 WeakPolarHBondContact O-CB 3.31Å; M732-H736 PolarHBondContact O-N 3.22Å; M732-H743 HydrophobicContact CE-CB 3.92Å; M732-H743 HydrophobicContact SD-CB 4.19Å; M732-L746 HydrophobicContact CE-CD2 4.33Å; M732-L746 HydrophobicContact CG-CD2 4.07Å; M732-L746 HydrophobicContact SD-CD1 3.91Å; M732-L746 HydrophobicContact SD-CD2 3.83Å; M732-L746 HydrophobicContact SD-CG 4.4Å; M732-I761 HydrophobicContact CB-CD1 4.49Å; M732-I761 HydrophobicContact CG-CD1 3.58Å; M732-I761 HydrophobicContact SD-CD1 3.57Å; M732-I761 VanDerWaalsContact SD-CD1 3.57Å; M732-D810 HydrophobicContact CE-CB 3.62Å; M732-F883 HydrophobicContact CB-CD1 3.91Å; M732-F883 HydrophobicContact CB-CD2 3.85Å; M732-F883 HydrophobicContact CB-CE1 3.73Å; M732-F883 HydrophobicContact CB-CE2 3.67Å; M732-F883 HydrophobicContact CB-CG 3.97Å; M732-F883 HydrophobicContact CB-CZ 3.61Å; M732-F883 HydrophobicContact CE-CE2 3.95Å; M732-F883 HydrophobicContact CE-CZ 4.3Å; M732-F883 HydrophobicContact CG-CE1 3.95Å; M732-F883 HydrophobicContact CG-CE2 4.03Å; M732-F883 HydrophobicContact CG-CZ 3.62Å |
| 733 | L | 95.1 | Very high | 92 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 171.7 | -80.4 | 171.5 | 0 | 0 | 0 | 111.7 | I729 A737 F883 R884 R887 | I729-L733 HydrophobicContact CG2-CD1 3.92Å; I729-L733 HydrophobicContact CG2-CG 4.37Å; I729-L733 WeakPolarHBondContact O-CB 3.01Å; I729-L733 VanDerWaalsContact O-CG 3.26Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.32Å; L733-A737 VanDerWaalsContact O-CB 3.27Å; L733-A737 WeakPolarHBondContact O-CB 3.34Å; L733-A737 PolarHBondContact O-N 2.81Å; L733-F883 HydrophobicContact CD2-CB 3.67Å; L733-F883 HydrophobicContact CG-CB 3.89Å; L733-R884 HydrophobicContact CD2-CB 4.46Å; L733-R884 HydrophobicContact CD2-CG 3.7Å; L733-R887 HydrophobicContact CD1-CB 4.26Å; L733-R887 HydrophobicContact CD1-CG 4.47Å |
| 734 | F | 94.8 | Very high | 92.2 | Very high | 54 Ų | 54 | 35 Ų | 35 | 24% | 0.237 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -46.5 | 176.3 | -179 | -94 | 0 | 0 | 0 | 111.8 | L675 H677 I680 K730 G731 M732 H736 A737 S738 | L675-F734 HydrophobicContact CD2-CE1 3.84Å; L675-F734 HydrophobicContact CD2-CZ 3.85Å; H677-F734 HydrophobicContact CB-CD1 3.75Å; H677-F734 HydrophobicContact CB-CD2 3.92Å; H677-F734 HydrophobicContact CB-CE1 3.79Å; H677-F734 HydrophobicContact CB-CE2 3.95Å; H677-F734 HydrophobicContact CB-CG 3.81Å; H677-F734 HydrophobicContact CB-CZ 3.88Å; H677-F734 AromaticContact CD2-CD2 3.46Å; H677-F734 VanDerWaalsContact CD2-CD2 3.46Å; H677-F734 WeakPolarHBondContact CD2-CD2 3.4Å; H677-F734 AromaticContact CD2-CG 3.77Å; H677-F734 AromaticContact CG-CD2 3.76Å; H677-F734 AromaticContact CG-CG 3.65Å; I680-F734 HydrophobicContact CD1-CD1 3.64Å; I680-F734 HydrophobicContact CD1-CE1 3.36Å; I680-F734 HydrophobicContact CD1-CZ 4.39Å; I680-F734 HydrophobicContact CG2-CD1 4.29Å; K730-F734 PolarHBondContact O-N 3.11Å; K730-F734 VanDerWaalsContact O-N 3.12Å; G731-F734 WeakPolarHBondContact O-CB 3.17Å; G731-F734 PolarHBondContact O-N 3.23Å; M732-F734 VanDerWaalsContact C-N 3.26Å; M732-F734 PolarHBondContact O-N 3.48Å; F734-H736 PolarHBondContact O-N 3.48Å; F734-A737 PolarHBondContact O-N 2.84Å; F734-S738 WeakPolarHBondContact O-CB 3.34Å; F734-S738 PolarHBondContact O-N 3.26Å |
| 735 | I | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 178.7 | -67 | 170.3 | 0 | 0 | 0 | 110.8 | I680 G731 M732 A737 S738 I740 R741 I761 F764 | I680-I735 HydrophobicContact CG2-CD1 4.15Å; I680-I735 HydrophobicContact CG2-CG1 4.1Å; G731-I735 WeakPolarHBondContact O-CG1 3.48Å; G731-I735 PolarHBondContact O-N 3.11Å; M732-I735 PolarHBondContact O-N 3.48Å; M732-I735 HydrophobicContact SD-CD1 4.17Å; I735-A737 VanDerWaalsContact C-N 3.3Å; I735-A737 PolarHBondContact O-N 2.75Å; I735-S738 PolarHBondContact O-N 2.81Å; I735-S738 VanDerWaalsContact O-N 3.15Å; I735-S738 PolarHBondContact O-OG 3.4Å; I735-I740 HydrophobicContact CG2-CG2 4.49Å; I735-R741 PolarHBondContact O-N 3.47Å; I735-I761 HydrophobicContact CD1-CB 4.42Å; I735-I761 HydrophobicContact CD1-CG2 4.08Å; I735-F764 HydrophobicContact CD1-CB 4.22Å; I735-F764 HydrophobicContact CD1-CD1 4.13Å; I735-F764 HydrophobicContact CD1-CD2 4.46Å; I735-F764 HydrophobicContact CD1-CG 4.01Å |
| 736 | H | 94.4 | Very high | 92.3 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 22% | 0.222 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -28.8 | 179.2 | -74.3 | -165.1 | 0 | 0 | 0 | 113.3 | M732 F734 R741 P807 D810 F883 | M732-H736 WeakPolarHBondContact CE-NE2 3.43Å; M732-H736 WeakPolarHBondContact O-CB 3.31Å; M732-H736 PolarHBondContact O-N 3.22Å; F734-H736 PolarHBondContact O-N 3.48Å; H736-R741 WeakPolarHBondContact CA-O 3.18Å; H736-R741 PolarHBondContact CD2-O 3.28Å; H736-P807 PolarHBondContact CE1-O 3.11Å; H736-D810 IonicContact CD2-OD2 3.01Å; H736-D810 IonicContact CE1-OD2 2.73Å; H736-D810 IonicContact NE2-OD2 3.67Å; H736-D810 PolarHBondContact NE2-OD2 2.74Å; H736-F883 AromaticContact CE1-CD2 3.43Å; H736-F883 VanDerWaalsContact CE1-CD2 3.43Å; H736-F883 WeakPolarHBondContact CE1-CD2 3.42Å; H736-F883 AromaticContact CE1-CE2 3.51Å; H736-F883 AromaticContact ND1-CD2 3.55Å |
| 737 | A | 92.5 | Very high | 92.4 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 71% | 0.711 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -82.5 | -19.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L733 F734 I735 | L733-A737 VanDerWaalsContact O-CB 3.27Å; L733-A737 WeakPolarHBondContact O-CB 3.34Å; L733-A737 PolarHBondContact O-N 2.81Å; F734-A737 PolarHBondContact O-N 2.84Å; I735-A737 VanDerWaalsContact C-N 3.3Å; I735-A737 PolarHBondContact O-N 2.75Å |
| 738 | S | 90.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -80 | 166.5 | 177.9 | 80.2 | 0 | 0 | 0 | 0 | 112.2 | F734 I735 I740 R741 | F734-S738 WeakPolarHBondContact O-CB 3.34Å; F734-S738 PolarHBondContact O-N 3.26Å; I735-S738 PolarHBondContact O-N 2.81Å; I735-S738 VanDerWaalsContact O-N 3.15Å; I735-S738 PolarHBondContact O-OG 3.4Å; S738-I740 PolarHBondContact O-N 3.07Å; S738-I740 PolarHBondContact OG-N 2.88Å; S738-R741 PolarHBondContact O-N 3.15Å |
| 739 | D | 85.3 | Confident | 92.3 | Very high | 120 Ų | 120 | 42.4 Ų | 42.4 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19.9 | 174.7 | -83.9 | 3.3 | 0 | 0 | 0 | 114.3 | K671 R741 | K671-D739 IonicContact NZ-OD2 2.71Å; K671-D739 PolarHBondContact NZ-OD2 3.08Å; D739-R741 VanDerWaalsContact C-N 3.29Å |
| 740 | I | 87.6 | Confident | 92.3 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 17% | 0.169 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29.8 | 178.1 | -55.2 | -177.7 | 0 | 0 | 0 | 110.8 | M672 L675 I735 S738 S742 F764 | M672-I740 HydrophobicContact SD-CD1 3.48Å; M672-I740 WeakPolarHBondContact SD-CD1 3.3Å; L675-I740 HydrophobicContact CD1-CD1 3.36Å; L675-I740 HydrophobicContact CD1-CG1 4.01Å; I735-I740 HydrophobicContact CG2-CG2 4.49Å; S738-I740 PolarHBondContact O-N 3.07Å; S738-I740 PolarHBondContact OG-N 2.88Å; I740-S742 WeakPolarHBondContact CG2-O 3.29Å; I740-S742 PolarHBondContact O-N 3.01Å; I740-F764 HydrophobicContact CD1-CD2 3.62Å; I740-F764 HydrophobicContact CD1-CE2 3.88Å |
| 741 | R | 90.1 | Very high | 92.4 | Very high | 185 Ų | 185 | 39.1 Ų | 39.1 | 70% | 0.698 | 20% | 0.203 | S | C | * | . | trans | 62.7 | -33.8 | 178.1 | -59.3 | -177.3 | 174.9 | -169.8 | -1.8 | 117 | I735 H736 S738 D739 | I735-R741 PolarHBondContact O-N 3.47Å; H736-R741 WeakPolarHBondContact CA-O 3.18Å; H736-R741 PolarHBondContact CD2-O 3.28Å; S738-R741 PolarHBondContact O-N 3.15Å; D739-R741 VanDerWaalsContact C-N 3.29Å | ||
| 742 | S | 92.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | trans | -148.7 | 149.9 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | I740 G744 G804 T806 D810 | I740-S742 WeakPolarHBondContact CG2-O 3.29Å; I740-S742 PolarHBondContact O-N 3.01Å; S742-G744 PolarHBondContact OG-N 3.27Å; S742-G804 WeakPolarHBondContact CB-O 3.46Å; S742-G804 PolarHBondContact OG-O 3.29Å; S742-T806 PolarHBondContact OG-N 3.37Å; S742-T806 PolarHBondContact OG-O 2.93Å; S742-D810 WeakPolarHBondContact CA-OD2 3.24Å; S742-D810 WeakPolarHBondContact CB-OD2 3.1Å; S742-D810 PolarHBondContact OG-OD1 3.39Å; S742-D810 PolarHBondContact OG-OD2 3.21Å | ||
| 743 | H | 92.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -79.5 | -42.4 | 173.4 | -173.6 | -58.7 | 0 | 0 | 0 | 111.4 | M732 K745 L746 I761 T762 D810 | M732-H743 HydrophobicContact CE-CB 3.92Å; M732-H743 HydrophobicContact SD-CB 4.19Å; H743-K745 PolarHBondContact CE1-O 2.95Å; H743-K745 PolarHBondContact ND1-N 3Å; H743-K745 PolarHBondContact O-N 3.21Å; H743-L746 HydrophobicContact CB-CB 4.43Å; H743-L746 PolarHBondContact ND1-N 2.97Å; H743-I761 WeakPolarHBondContact CD2-CG2 3.44Å; H743-I761 VanDerWaalsContact NE2-CG2 3.29Å; H743-I761 WeakPolarHBondContact NE2-CG2 3.4Å; H743-T762 PolarHBondContact CE1-O 3.38Å; H743-T762 PolarHBondContact NE2-O 3.12Å; H743-D810 PolarHBondContact N-OD2 2.81Å | ||
| 744 | G | 88.5 | Confident | 91.7 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 74.2 | -18.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S742 G804 D810 | S742-G744 PolarHBondContact OG-N 3.27Å; G744-G804 WeakPolarHBondContact CA-O 3.45Å; G744-G804 PolarHBondContact N-O 3.27Å; G744-D810 PolarHBondContact N-OD1 3.33Å |
| 745 | K | 89.7 | Confident | 91 | Very high | 119 Ų | 119 | 40.5 Ų | 40.5 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -136 | 37.1 | 179.5 | -59.6 | -179 | -175.8 | 176.6 | 0 | 112.5 | H743 K747 N750 | H743-K745 PolarHBondContact CE1-O 2.95Å; H743-K745 PolarHBondContact ND1-N 3Å; H743-K745 PolarHBondContact O-N 3.21Å; K745-K747 PolarHBondContact O-N 2.89Å; K745-N750 PolarHBondContact O-ND2 3.45Å |
| 746 | L | 94.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -68.3 | 127.7 | -179.7 | -173.9 | 66.9 | 0 | 0 | 0 | 109.6 | M732 H743 I761 S813 F814 I817 | M732-L746 HydrophobicContact CE-CD2 4.33Å; M732-L746 HydrophobicContact CG-CD2 4.07Å; M732-L746 HydrophobicContact SD-CD1 3.91Å; M732-L746 HydrophobicContact SD-CD2 3.83Å; M732-L746 HydrophobicContact SD-CG 4.4Å; H743-L746 HydrophobicContact CB-CB 4.43Å; H743-L746 PolarHBondContact ND1-N 2.97Å; L746-I761 HydrophobicContact CD1-CD1 4.4Å; L746-I761 HydrophobicContact CD1-CG2 4.04Å; L746-S813 VanDerWaalsContact O-CB 3.32Å; L746-S813 WeakPolarHBondContact O-CB 3.36Å; L746-F814 HydrophobicContact CD2-CB 4.19Å; L746-I817 HydrophobicContact CD1-CD1 4.43Å; L746-I817 HydrophobicContact CD2-CD1 4.27Å; L746-I817 HydrophobicContact CG-CD1 3.84Å | ||
| 747 | K | 93.6 | Very high | 89.3 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | trans | -157.4 | 162.1 | 178.7 | 52.9 | 174.6 | 174.3 | 142.2 | 0 | 109.5 | K745 T749 N750 C751 W790 | K745-K747 PolarHBondContact O-N 2.89Å; K747-T749 WeakPolarHBondContact CD-OG1 3.46Å; K747-T749 WeakPolarHBondContact CE-OG1 3.47Å; K747-T749 WeakPolarHBondContact CG-OG1 3.49Å; K747-T749 PolarHBondContact NZ-OG1 3.19Å; K747-T749 PolarHBondContact O-N 3.46Å; K747-N750 WeakPolarHBondContact CE-ND2 3.41Å; K747-N750 VanDerWaalsContact CE-OD1 3.28Å; K747-N750 WeakPolarHBondContact CE-OD1 3.46Å; K747-N750 HydrophobicContact CG-CB 3.94Å; K747-N750 WeakPolarHBondContact O-CA 3.49Å; K747-N750 PolarHBondContact O-N 2.99Å; K747-C751 PolarHBondContact O-N 3.07Å; K747-W790 HydrophobicContact CB-CB 4.42Å; K747-W790 HydrophobicContact CB-CD2 3.5Å; K747-W790 HydrophobicContact CB-CE3 3.79Å; K747-W790 HydrophobicContact CB-CG 3.81Å; K747-W790 HydrophobicContact CB-CH2 4.42Å; K747-W790 HydrophobicContact CB-CZ2 4.19Å; K747-W790 HydrophobicContact CB-CZ3 4.25Å; K747-W790 HydrophobicContact CD-CE3 4.4Å; K747-W790 HydrophobicContact CD-CZ3 4.36Å | ||
| 748 | S | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -60.2 | -30.8 | -179 | 52 | 0 | 0 | 0 | 0 | 113.3 | L705 N750 C751 W790 E820 | L705-S748 WeakPolarHBondContact CB-O 3.35Å; L705-S748 PolarHBondContact N-O 3.42Å; S748-N750 VanDerWaalsContact C-N 3.26Å; S748-N750 PolarHBondContact O-N 3.12Å; S748-C751 PolarHBondContact O-N 3.36Å; S748-W790 WeakPolarHBondContact OG-CZ2 3.06Å; S748-E820 WeakPolarHBondContact CB-OE2 3.5Å; S748-E820 PolarHBondContact OG-OE2 3.32Å |
| 749 | T | 92.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -67.4 | -23.5 | 172.6 | 71.6 | 0 | 0 | 0 | 0 | 114.1 | S704 Q706 K747 C751 | S704-T749 WeakPolarHBondContact CB-O 3.34Å; Q706-T749 HydrophobicContact CB-CG2 4.29Å; K747-T749 WeakPolarHBondContact CD-OG1 3.46Å; K747-T749 WeakPolarHBondContact CE-OG1 3.47Å; K747-T749 WeakPolarHBondContact CG-OG1 3.49Å; K747-T749 PolarHBondContact NZ-OG1 3.19Å; K747-T749 PolarHBondContact O-N 3.46Å; T749-C751 VanDerWaalsContact C-N 3.33Å |
| 750 | N | 94.2 | Very high | 89.6 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -93.2 | 3.1 | -179.5 | -71.8 | -0.1 | 0 | 0 | 0 | 112 | K745 K747 S748 I761 T762 | K745-N750 PolarHBondContact O-ND2 3.45Å; K747-N750 WeakPolarHBondContact CE-ND2 3.41Å; K747-N750 VanDerWaalsContact CE-OD1 3.28Å; K747-N750 WeakPolarHBondContact CE-OD1 3.46Å; K747-N750 HydrophobicContact CG-CB 3.94Å; K747-N750 WeakPolarHBondContact O-CA 3.49Å; K747-N750 PolarHBondContact O-N 2.99Å; S748-N750 VanDerWaalsContact C-N 3.26Å; S748-N750 PolarHBondContact O-N 3.12Å; N750-I761 WeakPolarHBondContact O-CA 3.28Å; N750-T762 HydrophobicContact CB-CG2 4.49Å; N750-T762 PolarHBondContact O-N 3.05Å |
| 751 | C | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 98.4 | 169.5 | -65.3 | 0 | 0 | 0 | 0 | 107.7 | S704 L705 K747 S748 T749 L759 K760 | S704-C751 CarbonylContact C-O 3.52Å; S704-C751 WeakPolarHBondContact CA-O 3.39Å; L705-C751 HydrophobicContact CB-CB 3.84Å; L705-C751 WeakPolarHBondContact CB-O 3.43Å; L705-C751 HydrophobicContact CD2-CB 4.21Å; L705-C751 PolarHBondContact N-O 3.48Å; K747-C751 PolarHBondContact O-N 3.07Å; S748-C751 PolarHBondContact O-N 3.36Å; T749-C751 VanDerWaalsContact C-N 3.33Å; C751-L759 HydrophobicContact CB-CD1 3.94Å; C751-L759 HydrophobicContact CB-CD2 3.88Å; C751-L759 HydrophobicContact CB-CG 4.05Å; C751-K760 CarbonylContact C-O 3.56Å |
| 752 | V | 94.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 13% | 0.133 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 152.7 | -177.2 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | T681 C700 G703 L759 K760 T762 | T681-V752 HydrophobicContact CG2-CG2 3.51Å; C700-V752 HydrophobicContact CB-CB 3.76Å; C700-V752 HydrophobicContact CB-CG2 3.82Å; C700-V752 VanDerWaalsContact SG-CG2 3.55Å; G703-V752 WeakPolarHBondContact O-CA 3.32Å; V752-L759 CarbonylContact O-C 3.54Å; V752-L759 WeakPolarHBondContact O-CA 3.07Å; V752-K760 HydrophobicContact CG2-CB 4.24Å; V752-K760 WeakPolarHBondContact CG2-O 3.27Å; V752-K760 PolarHBondContact N-O 3.26Å; V752-K760 PolarHBondContact O-N 3.35Å; V752-T762 HydrophobicContact CG1-CG2 3.94Å; V752-T762 HydrophobicContact CG2-CG2 4.24Å |
| 753 | V | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.3 | -175 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | C700 K702 G703 I708 L724 F757 L759 | C700-V753 CarbonylContact C-O 3.49Å; C700-V753 WeakPolarHBondContact CB-O 3.4Å; K702-V753 HydrophobicContact CB-CB 3.94Å; K702-V753 HydrophobicContact CB-CG1 3.98Å; K702-V753 WeakPolarHBondContact CB-O 3.27Å; K702-V753 HydrophobicContact CG-CG1 4.27Å; K702-V753 PolarHBondContact N-O 2.68Å; G703-V753 PolarHBondContact O-N 2.94Å; I708-V753 HydrophobicContact CD1-CB 3.72Å; I708-V753 HydrophobicContact CD1-CG1 4.11Å; I708-V753 HydrophobicContact CD1-CG2 3.46Å; I708-V753 VanDerWaalsContact CD1-CG2 3.46Å; L724-V753 HydrophobicContact CD2-CG2 4.31Å; V753-F757 HydrophobicContact CG1-CB 4.4Å; V753-F757 HydrophobicContact CG1-CD1 4.24Å; V753-L759 HydrophobicContact CG2-CB 4.29Å; V753-L759 HydrophobicContact CG2-CG 4.4Å |
| 754 | D | 85.5 | Confident | 89.9 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | trans | -75.2 | 178.1 | -179.2 | 83.2 | -4.5 | 0 | 0 | 0 | 112.7 | K702 R756 F757 V758 | K702-D754 VanDerWaalsContact CG-O 3.27Å; K702-D754 WeakPolarHBondContact CG-O 3.45Å; D754-R756 PolarHBondContact O-N 2.69Å; D754-R756 VanDerWaalsContact O-N 3.14Å; D754-R756 VanDerWaalsContact OD1-CA 3.3Å; D754-R756 WeakPolarHBondContact OD1-CA 3.48Å; D754-R756 WeakPolarHBondContact OD1-CB 3Å; D754-R756 PolarHBondContact OD1-N 2.8Å; D754-R756 IonicContact OD2-CZ 3.77Å; D754-R756 IonicContact OD2-NE 2.86Å; D754-R756 PolarHBondContact OD2-NE 3.06Å; D754-R756 IonicContact OD2-NH2 3.8Å; D754-F757 PolarHBondContact O-N 3.02Å; D754-F757 VanDerWaalsContact O-N 3.15Å; D754-F757 PolarHBondContact OD1-N 2.7Å; D754-F757 VanDerWaalsContact OD1-N 3.17Å; D754-V758 PolarHBondContact N-O 2.82Å; D754-V758 PolarHBondContact OD1-N 2.91Å | ||
| 755 | S | 79.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 30.1 Ų | 30.1 | 55% | 0.552 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.4 | 178.8 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 756 | R | 74.9 | Confident | 89.5 | Confident | 156 Ų | 156 | 24.5 Ų | 24.5 | 59% | 0.589 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 11.1 | 179.1 | -59.9 | -179.8 | -65 | 175.3 | 2.8 | 112.5 | D754 V758 | D754-R756 PolarHBondContact O-N 2.69Å; D754-R756 VanDerWaalsContact O-N 3.14Å; D754-R756 VanDerWaalsContact OD1-CA 3.3Å; D754-R756 WeakPolarHBondContact OD1-CA 3.48Å; D754-R756 WeakPolarHBondContact OD1-CB 3Å; D754-R756 PolarHBondContact OD1-N 2.8Å; D754-R756 IonicContact OD2-CZ 3.77Å; D754-R756 IonicContact OD2-NE 2.86Å; D754-R756 PolarHBondContact OD2-NE 3.06Å; D754-R756 IonicContact OD2-NH2 3.8Å; R756-V758 HydrophobicContact CB-CG2 4.28Å; R756-V758 PolarHBondContact O-N 3.34Å |
| 757 | F | 77.8 | Confident | 88.8 | Confident | 41 Ų | 41 | 26 Ų | 26 | 18% | 0.18 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 60.8 | 25.9 | -175.5 | -68.5 | -88.3 | 0 | 0 | 0 | 114.3 | K702 M720 V753 D754 Y913 | K702-F757 HydrophobicContact CD-CE1 4.38Å; K702-F757 HydrophobicContact CD-CZ 4.24Å; K702-F757 HydrophobicContact CG-CE1 4.47Å; M720-F757 HydrophobicContact CE-CD1 3.63Å; M720-F757 HydrophobicContact CE-CE1 4.02Å; V753-F757 HydrophobicContact CG1-CB 4.4Å; V753-F757 HydrophobicContact CG1-CD1 4.24Å; D754-F757 PolarHBondContact O-N 3.02Å; D754-F757 VanDerWaalsContact O-N 3.15Å; D754-F757 PolarHBondContact OD1-N 2.7Å; D754-F757 VanDerWaalsContact OD1-N 3.17Å; F757-Y913 AromaticContact CE1-CE2 3.93Å; F757-Y913 HydrophobicContact CE1-CE2 3.93Å; F757-Y913 AromaticContact CE1-CZ 3.77Å; F757-Y913 WeakPolarHBondContact CE1-OH 3.45Å; F757-Y913 HydrophobicContact CE2-CD2 4.06Å; F757-Y913 AromaticContact CE2-CE2 3.9Å; F757-Y913 HydrophobicContact CE2-CE2 3.9Å; F757-Y913 HydrophobicContact CE2-CG 4.43Å; F757-Y913 HydrophobicContact CZ-CD1 4.33Å; F757-Y913 HydrophobicContact CZ-CD2 4.04Å; F757-Y913 AromaticContact CZ-CE1 3.78Å; F757-Y913 HydrophobicContact CZ-CE1 3.78Å; F757-Y913 AromaticContact CZ-CE2 3.45Å; F757-Y913 HydrophobicContact CZ-CE2 3.45Å; F757-Y913 VanDerWaalsContact CZ-CE2 3.45Å; F757-Y913 HydrophobicContact CZ-CG 4.43Å; F757-Y913 AromaticContact CZ-CZ 3.29Å; F757-Y913 WeakPolarHBondContact CZ-OH 3.2Å |
| 758 | V | 86.9 | Confident | 87.9 | Confident | 33 Ų | 33 | 29 Ų | 29 | 20% | 0.2 | 15% | 0.146 | C | C | . | . | trans | -89.2 | 127.4 | 170.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | D754 R756 | D754-V758 PolarHBondContact N-O 2.82Å; D754-V758 PolarHBondContact OD1-N 2.91Å; R756-V758 HydrophobicContact CB-CG2 4.28Å; R756-V758 PolarHBondContact O-N 3.34Å | ||
| 759 | L | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.5 | 176.5 | -173.9 | 159.1 | 0 | 0 | 0 | 110 | H679 L705 L724 D727 I728 C751 V752 V753 I761 | H679-L759 PolarHBondContact ND1-O 3.15Å; L705-L759 HydrophobicContact CB-CD1 4.5Å; L705-L759 HydrophobicContact CD1-CD1 4.36Å; L705-L759 HydrophobicContact CD2-CD1 4.21Å; L724-L759 HydrophobicContact CB-CD1 4.19Å; L724-L759 HydrophobicContact CD2-CB 3.86Å; L724-L759 HydrophobicContact CD2-CD1 4Å; D727-L759 HydrophobicContact CB-CB 3.82Å; D727-L759 PolarHBondContact OD2-N 2.63Å; D727-L759 VanDerWaalsContact OD2-N 3.17Å; I728-L759 HydrophobicContact CB-CD2 4.43Å; I728-L759 HydrophobicContact CD1-CD1 3.86Å; I728-L759 HydrophobicContact CG1-CD1 3.62Å; I728-L759 HydrophobicContact CG1-CD2 3.44Å; I728-L759 VanDerWaalsContact CG1-CD2 3.44Å; I728-L759 HydrophobicContact CG1-CG 4.17Å; C751-L759 HydrophobicContact CB-CD1 3.94Å; C751-L759 HydrophobicContact CB-CD2 3.88Å; C751-L759 HydrophobicContact CB-CG 4.05Å; V752-L759 CarbonylContact O-C 3.54Å; V752-L759 WeakPolarHBondContact O-CA 3.07Å; V753-L759 HydrophobicContact CG2-CB 4.29Å; V753-L759 HydrophobicContact CG2-CG 4.4Å; L759-I761 HydrophobicContact CD2-CG1 4.25Å |
| 760 | K | 94.9 | Very high | 86.3 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.9 | 176.3 | -61.8 | -169.9 | 172.3 | -162.9 | 0 | 110.4 | D678 H679 T681 E698 C751 V752 | D678-K760 VanDerWaalsContact O-CE 3.29Å; D678-K760 WeakPolarHBondContact O-CE 3.23Å; D678-K760 WeakPolarHBondContact O-CG 3.4Å; H679-K760 WeakPolarHBondContact O-CA 3.35Å; T681-K760 HydrophobicContact CG2-CB 3.94Å; E698-K760 WeakPolarHBondContact OE1-CD 3.46Å; E698-K760 IonicContact OE1-NZ 4Å; E698-K760 PolarHBondContact OE1-NZ 3.22Å; E698-K760 IonicContact OE2-NZ 3.72Å; E698-K760 PolarHBondContact OE2-NZ 3.41Å; C751-K760 CarbonylContact C-O 3.56Å; V752-K760 HydrophobicContact CG2-CB 4.24Å; V752-K760 WeakPolarHBondContact CG2-O 3.27Å; V752-K760 PolarHBondContact N-O 3.26Å; V752-K760 PolarHBondContact O-N 3.35Å |
| 761 | I | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.4 | 175.7 | -55.7 | 179.9 | 0 | 0 | 0 | 109.1 | H679 I680 T681 I728 M732 I735 H743 L746 N750 L759 F764 | H679-I761 PolarHBondContact O-N 3.2Å; I680-I761 CarbonylContact C-O 3.58Å; I680-I761 VanDerWaalsContact CA-O 3.32Å; I680-I761 WeakPolarHBondContact CA-O 3.33Å; T681-I761 PolarHBondContact N-O 3.08Å; T681-I761 PolarHBondContact OG1-O 3.25Å; I728-I761 HydrophobicContact CG2-CD1 4.25Å; M732-I761 HydrophobicContact CB-CD1 4.49Å; M732-I761 HydrophobicContact CG-CD1 3.58Å; M732-I761 HydrophobicContact SD-CD1 3.57Å; M732-I761 VanDerWaalsContact SD-CD1 3.57Å; I735-I761 HydrophobicContact CD1-CB 4.42Å; I735-I761 HydrophobicContact CD1-CG2 4.08Å; H743-I761 WeakPolarHBondContact CD2-CG2 3.44Å; H743-I761 VanDerWaalsContact NE2-CG2 3.29Å; H743-I761 WeakPolarHBondContact NE2-CG2 3.4Å; L746-I761 HydrophobicContact CD1-CD1 4.4Å; L746-I761 HydrophobicContact CD1-CG2 4.04Å; N750-I761 WeakPolarHBondContact O-CA 3.28Å; L759-I761 HydrophobicContact CD2-CG1 4.25Å; I761-F764 WeakPolarHBondContact O-CE1 3.23Å |
| 762 | T | 93.3 | Very high | 84.2 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | trans | -122 | 172.6 | -179.6 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | T681 H743 N750 V752 F764 | T681-T762 WeakPolarHBondContact OG1-CA 3.4Å; T681-T762 VanDerWaalsContact OG1-CB 3.3Å; T681-T762 WeakPolarHBondContact OG1-CB 3.4Å; T681-T762 PolarHBondContact OG1-OG1 2.7Å; H743-T762 PolarHBondContact CE1-O 3.38Å; H743-T762 PolarHBondContact NE2-O 3.12Å; N750-T762 HydrophobicContact CB-CG2 4.49Å; N750-T762 PolarHBondContact O-N 3.05Å; V752-T762 HydrophobicContact CG1-CG2 3.94Å; V752-T762 HydrophobicContact CG2-CG2 4.24Å; T762-F764 VanDerWaalsContact C-N 3.34Å; T762-F764 PolarHBondContact O-N 2.61Å | ||
| 763 | D | 89.1 | Confident | 83.1 | Confident | 34 Ų | 34 | 35.3 Ų | 35.3 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 65.8 | 24.5 | 174.9 | -99.6 | -30.2 | 0 | 0 | 0 | 116.7 | K650 R770 | K650-D763 WeakPolarHBondContact CD-OD1 3.27Å; K650-D763 IonicContact NZ-OD1 3.22Å; K650-D763 PolarHBondContact NZ-OD1 2.96Å; K650-D763 IonicContact NZ-OD2 3.91Å; K650-D763 PolarHBondContact NZ-OD2 3.45Å; D763-R770 VanDerWaalsContact CA-NH2 3.33Å; D763-R770 PolarHBondContact O-NH1 2.94Å; D763-R770 PolarHBondContact O-NH2 3.04Å; D763-R770 IonicContact OD1-CZ 3.22Å; D763-R770 IonicContact OD1-NH2 2.69Å; D763-R770 PolarHBondContact OD1-NH2 3.36Å |
| 764 | F | 90.3 | Very high | 81.5 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | trans | -91.9 | 164.6 | 173.2 | 61.1 | -86.1 | 0 | 0 | 0 | 113 | M672 I680 I735 I740 I761 T762 R770 | M672-F764 HydrophobicContact CE-CD2 4.04Å; M672-F764 HydrophobicContact CE-CE2 3.74Å; M672-F764 HydrophobicContact CE-CZ 4.29Å; M672-F764 WeakPolarHBondContact CE-O 3.45Å; M672-F764 HydrophobicContact SD-CD2 4.17Å; M672-F764 HydrophobicContact SD-CE2 4Å; I680-F764 HydrophobicContact CB-CE1 3.76Å; I680-F764 HydrophobicContact CB-CZ 3.83Å; I680-F764 HydrophobicContact CD1-CE2 4.38Å; I680-F764 HydrophobicContact CD1-CZ 3.83Å; I680-F764 HydrophobicContact CG1-CE1 4.44Å; I680-F764 HydrophobicContact CG1-CZ 4.04Å; I680-F764 HydrophobicContact CG2-CE1 4.39Å; I680-F764 HydrophobicContact CG2-CZ 4.49Å; I735-F764 HydrophobicContact CD1-CB 4.22Å; I735-F764 HydrophobicContact CD1-CD1 4.13Å; I735-F764 HydrophobicContact CD1-CD2 4.46Å; I735-F764 HydrophobicContact CD1-CG 4.01Å; I740-F764 HydrophobicContact CD1-CD2 3.62Å; I740-F764 HydrophobicContact CD1-CE2 3.88Å; I761-F764 WeakPolarHBondContact O-CE1 3.23Å; T762-F764 VanDerWaalsContact C-N 3.34Å; T762-F764 PolarHBondContact O-N 2.61Å; F764-R770 PolarHBondContact O-NH1 3.34Å | ||
| 765 | G | 86 | Confident | 80.1 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 71.3 | -155 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H767 R770 | G765-H767 PolarHBondContact O-N 2.91Å; G765-R770 VanDerWaalsContact C-NH1 3.33Å; G765-R770 PolarHBondContact O-NH1 3.45Å |
| 766 | L | 83.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | 44.3 | 41.5 | 174.7 | -62 | 176.7 | 0 | 0 | 0 | 114.2 | E668 L669 M672 F683 I695 H768 F769 R770 | E668-L766 HydrophobicContact CG-CD2 4.23Å; E668-L766 VanDerWaalsContact OE1-C 3.26Å; E668-L766 WeakPolarHBondContact OE1-CA 3.47Å; E668-L766 PolarHBondContact OE1-N 2.78Å; E668-L766 VanDerWaalsContact OE1-N 3.07Å; L669-L766 HydrophobicContact CD2-CD2 3.66Å; L669-L766 HydrophobicContact CG-CD2 4.08Å; M672-L766 HydrophobicContact CB-CD2 4.36Å; M672-L766 HydrophobicContact CE-CG 4.38Å; M672-L766 HydrophobicContact CG-CD2 3.77Å; M672-L766 HydrophobicContact CG-CG 3.85Å; F683-L766 HydrophobicContact CD2-CD1 4.27Å; F683-L766 HydrophobicContact CE2-CD1 3.7Å; F683-L766 HydrophobicContact CZ-CD1 4.25Å; I695-L766 HydrophobicContact CD1-CD1 3.91Å; I695-L766 HydrophobicContact CG1-CD1 4.27Å; L766-H768 PolarHBondContact O-N 3.32Å; L766-F769 HydrophobicContact CB-CB 4.14Å; L766-F769 PolarHBondContact O-N 3.03Å; L766-R770 WeakPolarHBondContact O-CB 3.36Å; L766-R770 VanDerWaalsContact O-CG 3.31Å; L766-R770 WeakPolarHBondContact O-CG 3.46Å; L766-R770 PolarHBondContact O-N 3.21Å | ||
| 767 | H | 79.6 | Confident | 77.7 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | -172.5 | -56.8 | -64.9 | 0 | 0 | 0 | 110.5 | E668 G765 F769 R770 D771 T803 G804 | E668-H767 IonicContact OE1-CD2 4Å; E668-H767 PolarHBondContact OE1-N 3.36Å; G765-H767 PolarHBondContact O-N 2.91Å; H767-F769 VanDerWaalsContact C-N 3.32Å; H767-F769 PolarHBondContact O-N 2.95Å; H767-R770 PolarHBondContact O-N 3.04Å; H767-D771 WeakPolarHBondContact O-CB 3.47Å; H767-D771 PolarHBondContact O-N 3.26Å; H767-T803 PolarHBondContact ND1-O 3.4Å; H767-G804 WeakPolarHBondContact CE1-CA 3.33Å; H767-G804 WeakPolarHBondContact ND1-CA 3.34Å |
| 768 | H | 76.3 | Confident | 76.7 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 177.5 | -60.1 | 90.1 | 0 | 0 | 0 | 112.3 | E668 L766 D771 | E668-H768 WeakPolarHBondContact OE2-CB 3.49Å; E668-H768 IonicContact OE2-CG 2.72Å; E668-H768 IonicContact OE2-ND1 2.7Å; E668-H768 PolarHBondContact OE2-ND1 2.97Å; L766-H768 PolarHBondContact O-N 3.32Å; H768-D771 PolarHBondContact O-N 3.34Å |
| 769 | F | 76 | Confident | 75.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 178.7 | -160.8 | -120.2 | 0 | 0 | 0 | 111.6 | L652 I659 L665 A686 I688 I695 L766 H767 L772 | L652-F769 HydrophobicContact CD1-CD1 3.6Å; L652-F769 HydrophobicContact CD1-CE1 3.32Å; L652-F769 HydrophobicContact CD1-CZ 4.18Å; I659-F769 HydrophobicContact CD1-CE2 3.83Å; I659-F769 HydrophobicContact CD1-CZ 4.27Å; L665-F769 HydrophobicContact CD1-CB 3.72Å; L665-F769 HydrophobicContact CD1-CD2 3.77Å; L665-F769 HydrophobicContact CD1-CG 4.12Å; L665-F769 HydrophobicContact CD2-CD2 3.9Å; L665-F769 HydrophobicContact CD2-CE2 4.44Å; L665-F769 HydrophobicContact CG-CD2 4.42Å; A686-F769 HydrophobicContact CB-CE1 4.32Å; I688-F769 HydrophobicContact CG2-CE2 3.98Å; I688-F769 HydrophobicContact CG2-CZ 3.84Å; I695-F769 HydrophobicContact CD1-CD1 4.11Å; I695-F769 HydrophobicContact CD1-CE1 4.47Å; I695-F769 HydrophobicContact CG1-CD1 4.12Å; I695-F769 HydrophobicContact CG1-CE1 4.03Å; L766-F769 HydrophobicContact CB-CB 4.14Å; L766-F769 PolarHBondContact O-N 3.03Å; H767-F769 VanDerWaalsContact C-N 3.32Å; H767-F769 PolarHBondContact O-N 2.95Å; F769-L772 HydrophobicContact CD2-CD1 4.14Å; F769-L772 WeakPolarHBondContact O-CB 3.36Å; F769-L772 PolarHBondContact O-N 2.79Å |
| 770 | R | 74.2 | Confident | 74.2 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.5 | -27 | 176.1 | -71.7 | 174.6 | 168.8 | 128.6 | -0.5 | 112.7 | D763 F764 G765 L766 H767 L772 E773 | D763-R770 VanDerWaalsContact CA-NH2 3.33Å; D763-R770 PolarHBondContact O-NH1 2.94Å; D763-R770 PolarHBondContact O-NH2 3.04Å; D763-R770 IonicContact OD1-CZ 3.22Å; D763-R770 IonicContact OD1-NH2 2.69Å; D763-R770 PolarHBondContact OD1-NH2 3.36Å; F764-R770 PolarHBondContact O-NH1 3.34Å; G765-R770 VanDerWaalsContact C-NH1 3.33Å; G765-R770 PolarHBondContact O-NH1 3.45Å; L766-R770 WeakPolarHBondContact O-CB 3.36Å; L766-R770 VanDerWaalsContact O-CG 3.31Å; L766-R770 WeakPolarHBondContact O-CG 3.46Å; L766-R770 PolarHBondContact O-N 3.21Å; H767-R770 PolarHBondContact O-N 3.04Å; R770-L772 PolarHBondContact O-N 3.29Å; R770-E773 WeakPolarHBondContact O-CB 3.46Å; R770-E773 PolarHBondContact O-N 2.88Å; R770-E773 VanDerWaalsContact O-N 3.14Å |
| 771 | D | 73.8 | Confident | 73.2 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -18 | 174.4 | -73.7 | -23.9 | 0 | 0 | 0 | 112.9 | H767 H768 E773 T803 | H767-D771 WeakPolarHBondContact O-CB 3.47Å; H767-D771 PolarHBondContact O-N 3.26Å; H768-D771 PolarHBondContact O-N 3.34Å; D771-E773 PolarHBondContact O-N 2.96Å; D771-T803 VanDerWaalsContact OD1-CG2 3.32Å; D771-T803 WeakPolarHBondContact OD1-CG2 3.41Å; D771-T803 WeakPolarHBondContact OD2-CG2 3.36Å; D771-T803 PolarHBondContact OD2-OG1 3.34Å |
| 772 | L | 73.3 | Confident | 72.3 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.9 | 171 | -64.2 | 173.2 | 0 | 0 | 0 | 112.9 | I654 I659 F769 R770 T774 | I654-L772 HydrophobicContact CD1-CB 4.01Å; I654-L772 HydrophobicContact CG1-CB 4.33Å; I659-L772 HydrophobicContact CD1-CD1 4.14Å; I659-L772 HydrophobicContact CG1-CD1 4.28Å; I659-L772 HydrophobicContact CG2-CD1 3.66Å; F769-L772 HydrophobicContact CD2-CD1 4.14Å; F769-L772 WeakPolarHBondContact O-CB 3.36Å; F769-L772 PolarHBondContact O-N 2.79Å; R770-L772 PolarHBondContact O-N 3.29Å; L772-T774 PolarHBondContact O-N 3.31Å |
| 773 | E | 70.8 | Confident | 71.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -65 | 120.2 | 176.6 | -159.4 | 166.3 | -141.1 | 0 | 0 | 108.4 | L652 N653 R770 D771 R775 | L652-E773 WeakPolarHBondContact CA-OE1 3.34Å; N653-E773 HydrophobicContact CB-CG 4.26Å; N653-E773 PolarHBondContact N-OE1 2.91Å; N653-E773 WeakPolarHBondContact O-CG 3.5Å; R770-E773 WeakPolarHBondContact O-CB 3.46Å; R770-E773 PolarHBondContact O-N 2.88Å; R770-E773 VanDerWaalsContact O-N 3.14Å; D771-E773 PolarHBondContact O-N 2.96Å; E773-R775 PolarHBondContact O-N 3.42Å |
| 774 | T | 57.7 | Low | 71.2 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | trans | -58.4 | 112.1 | 177.8 | 20.6 | 0 | 0 | 0 | 0 | 108 | N653 Q655 L772 K776 | N653-T774 PolarHBondContact O-N 2.83Å; N653-T774 PolarHBondContact O-OG1 2.86Å; Q655-T774 HydrophobicContact CB-CG2 4.16Å; Q655-T774 HydrophobicContact CG-CG2 4.1Å; L772-T774 PolarHBondContact O-N 3.31Å; T774-K776 PolarHBondContact O-N 2.56Å | ||
| 775 | R | 54.4 | Low | 71.1 | Confident | 221 Ų | 221 | 69 Ų | 69 | 83% | 0.834 | 35% | 0.353 | S | S | * | . | trans | -60.4 | 82.5 | 174.8 | -78.7 | -177 | 179.9 | 178 | 0.9 | 109.4 | E773 | E773-R775 PolarHBondContact O-N 3.42Š| ||
| 776 | K | 51 | Low | 71.1 | Confident | 147 Ų | 147 | 76.7 Ų | 76.7 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | trans | -111.3 | 32.9 | 163.8 | -87.3 | -164.8 | 175.8 | -171 | 0 | 110.5 | T774 D778 | T774-K776 PolarHBondContact O-N 2.56Å; K776-D778 PolarHBondContact O-N 3Å | ||
| 777 | D | 54.1 | Low | 71.2 | Confident | 80 Ų | 80 | 80.8 Ų | 80.8 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | trans | -72.5 | 92.8 | 152.9 | -87.5 | -9.5 | 0 | 0 | 0 | 104.9 | C779 Y784 K787 | D777-C779 PolarHBondContact O-N 3.24Å; D777-Y784 HydrophobicContact CB-CD2 3.7Å; D777-Y784 HydrophobicContact CB-CE2 4.42Å; D777-Y784 HydrophobicContact CB-CG 4.48Å; D777-K787 IonicContact OD1-NZ 3.42Å; D777-K787 PolarHBondContact OD1-NZ 3.35Å; D777-K787 IonicContact OD2-NZ 3.36Å; D777-K787 PolarHBondContact OD2-NZ 2.86Å | ||
| 778 | D | 56 | Low | 71.7 | Confident | 109 Ų | 109 | 82 Ų | 82 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | trans | -51.4 | 120.3 | 167.3 | -90.2 | -27.3 | 0 | 0 | 0 | 106.5 | K776 L780 S781 | K776-D778 PolarHBondContact O-N 3Å; D778-L780 HydrophobicContact CB-CB 4.5Å; D778-L780 PolarHBondContact O-N 3.48Å; D778-S781 WeakPolarHBondContact O-CB 3.21Å; D778-S781 PolarHBondContact O-N 3.28Å; D778-S781 PolarHBondContact O-OG 3.45Å; D778-S781 VanDerWaalsContact O-OG 3.05Å | ||
| 779 | C | 62.9 | Low | 72.5 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 54% | 0.541 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -10.6 | 173.3 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | D777 W785 | D777-C779 PolarHBondContact O-N 3.24Å; C779-W785 PolarHBondContact O-NE1 3.21Å |
| 780 | L | 64.8 | Low | 73.4 | Confident | 149 Ų | 149 | 78.2 Ų | 78.2 | 78% | 0.78 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.4 | 172.8 | -62 | 171.4 | 0 | 0 | 0 | 113.5 | D778 | D778-L780 HydrophobicContact CB-CB 4.5Å; D778-L780 PolarHBondContact O-N 3.48Å |
| 781 | S | 73.2 | Confident | 74.2 | Confident | 37 Ų | 37 | 78.4 Ų | 78.4 | 26% | 0.259 | 39% | 0.39 | S | S | . | . | trans | -75.9 | 134.7 | -176.1 | 78.5 | 0 | 0 | 0 | 0 | 111.9 | D778 S783 Y784 W785 | D778-S781 WeakPolarHBondContact O-CB 3.21Å; D778-S781 PolarHBondContact O-N 3.28Å; D778-S781 PolarHBondContact O-OG 3.45Å; D778-S781 VanDerWaalsContact O-OG 3.05Å; S781-S783 PolarHBondContact O-N 3.14Å; S781-Y784 WeakPolarHBondContact O-CB 3.2Å; S781-Y784 PolarHBondContact O-N 3.34Å; S781-Y784 VanDerWaalsContact O-N 3.11Å; S781-Y784 WeakPolarHBondContact OG-CB 3.35Å; S781-Y784 PolarHBondContact OG-N 3.01Å; S781-Y784 VanDerWaalsContact OG-N 3.16Å; S781-W785 PolarHBondContact O-N 3.23Å | ||
| 782 | A | 76.9 | Confident | 75.2 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60 | -28.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R786 | A782-R786 WeakPolarHBondContact O-CB 3.4Å; A782-R786 WeakPolarHBondContact O-CG 3.45Å; A782-R786 PolarHBondContact O-N 3.23Å |
| 783 | S | 79.1 | Confident | 76.1 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 112 | S781 R786 K787 | S781-S783 PolarHBondContact O-N 3.14Å; S783-R786 PolarHBondContact O-N 2.95Å; S783-K787 VanDerWaalsContact O-CG 3.31Å; S783-K787 WeakPolarHBondContact O-CG 3.48Å; S783-K787 PolarHBondContact O-N 3.26Å |
| 784 | Y | 81.6 | Confident | 77.2 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 176 | 174.7 | -100.2 | 0 | 0 | 0 | 111.5 | D777 S781 R786 K787 K788 | D777-Y784 HydrophobicContact CB-CD2 3.7Å; D777-Y784 HydrophobicContact CB-CE2 4.42Å; D777-Y784 HydrophobicContact CB-CG 4.48Å; S781-Y784 WeakPolarHBondContact O-CB 3.2Å; S781-Y784 PolarHBondContact O-N 3.34Å; S781-Y784 VanDerWaalsContact O-N 3.11Å; S781-Y784 WeakPolarHBondContact OG-CB 3.35Å; S781-Y784 PolarHBondContact OG-N 3.01Å; S781-Y784 VanDerWaalsContact OG-N 3.16Å; Y784-R786 PolarHBondContact O-N 3.03Å; Y784-K787 PolarHBondContact O-N 3.42Å; Y784-K788 PolarHBondContact O-N 3.27Å |
| 785 | W | 86.6 | Confident | 78.8 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 15% | 0.148 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | -179.9 | -66 | 105 | 0 | 0 | 0 | 112.6 | C779 S781 K787 K788 A837 R838 V841 | C779-W785 PolarHBondContact O-NE1 3.21Å; S781-W785 PolarHBondContact O-N 3.23Å; W785-K787 PolarHBondContact O-N 2.83Å; W785-K788 PolarHBondContact O-N 3.02Å; W785-K788 VanDerWaalsContact O-N 3.12Å; W785-A837 HydrophobicContact CB-CB 4.07Å; W785-R838 HydrophobicContact CB-CB 4.34Å; W785-R838 HydrophobicContact CD2-CB 3.84Å; W785-R838 HydrophobicContact CD2-CG 3.86Å; W785-R838 HydrophobicContact CE3-CB 4.28Å; W785-R838 HydrophobicContact CE3-CG 4.16Å; W785-R838 HydrophobicContact CG-CB 3.84Å; W785-R838 HydrophobicContact CG-CG 4.34Å; W785-R838 HydrophobicContact CH2-CG 4.32Å; W785-R838 HydrophobicContact CZ2-CG 4.05Å; W785-R838 HydrophobicContact CZ3-CG 4.37Å; W785-V841 HydrophobicContact CE3-CB 4.05Å; W785-V841 HydrophobicContact CE3-CG1 3.96Å; W785-V841 HydrophobicContact CZ3-CB 4.32Å; W785-V841 HydrophobicContact CZ3-CG1 3.87Å |
| 786 | R | 87.4 | Confident | 80.5 | Confident | 163 Ų | 163 | 60.9 Ų | 60.9 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 174 | -80.5 | -174 | -178.1 | 132.7 | 0.4 | 112.5 | A782 S783 Y784 K788 L789 W790 A837 | A782-R786 WeakPolarHBondContact O-CB 3.4Å; A782-R786 WeakPolarHBondContact O-CG 3.45Å; A782-R786 PolarHBondContact O-N 3.23Å; S783-R786 PolarHBondContact O-N 2.95Å; Y784-R786 PolarHBondContact O-N 3.03Å; R786-K788 PolarHBondContact O-N 3.07Å; R786-K788 VanDerWaalsContact O-N 3.15Å; R786-L789 WeakPolarHBondContact O-CG 3.42Å; R786-L789 PolarHBondContact O-N 2.96Å; R786-W790 VanDerWaalsContact O-CZ3 3.27Å; R786-W790 WeakPolarHBondContact O-CZ3 3.23Å; R786-A837 HydrophobicContact CG-CB 3.94Å |
| 787 | K | 85.8 | Confident | 82.4 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -23.9 | 176.7 | -69.6 | 170.7 | -166.3 | 173.2 | 0 | 112.6 | D777 S783 Y784 W785 | D777-K787 IonicContact OD1-NZ 3.42Å; D777-K787 PolarHBondContact OD1-NZ 3.35Å; D777-K787 IonicContact OD2-NZ 3.36Å; D777-K787 PolarHBondContact OD2-NZ 2.86Å; S783-K787 VanDerWaalsContact O-CG 3.31Å; S783-K787 WeakPolarHBondContact O-CG 3.48Å; S783-K787 PolarHBondContact O-N 3.26Å; Y784-K787 PolarHBondContact O-N 3.42Å; W785-K787 PolarHBondContact O-N 2.83Å |
| 788 | K | 90.1 | Very high | 84 | Confident | 56 Ų | 56 | 58 Ų | 58 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.4 | -177.7 | -69.3 | -68.7 | -173.1 | 173.3 | 0 | 114.7 | Y784 W785 R786 W790 T791 L796 V841 | Y784-K788 PolarHBondContact O-N 3.27Å; W785-K788 PolarHBondContact O-N 3.02Å; W785-K788 VanDerWaalsContact O-N 3.12Å; R786-K788 PolarHBondContact O-N 3.07Å; R786-K788 VanDerWaalsContact O-N 3.15Å; K788-W790 PolarHBondContact O-N 3Å; K788-W790 VanDerWaalsContact O-N 3.15Å; K788-T791 VanDerWaalsContact O-CB 3.26Å; K788-T791 WeakPolarHBondContact O-CB 2.88Å; K788-T791 PolarHBondContact O-N 3.49Å; K788-T791 PolarHBondContact O-OG1 3.41Å; K788-L796 HydrophobicContact CB-CD2 4.39Å; K788-L796 HydrophobicContact CD-CD2 4.11Å; K788-V841 HydrophobicContact CB-CG1 4.19Å; K788-V841 HydrophobicContact CB-CG2 3.9Å |
| 789 | L | 92.8 | Very high | 85 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.1 | -177.8 | -69.6 | 169.9 | 0 | 0 | 0 | 114.6 | R786 V827 F828 A837 I840 V841 | R786-L789 WeakPolarHBondContact O-CG 3.42Å; R786-L789 PolarHBondContact O-N 2.96Å; L789-V827 HydrophobicContact CB-CG1 3.83Å; L789-V827 HydrophobicContact CD1-CB 4.31Å; L789-V827 HydrophobicContact CD1-CG1 4.01Å; L789-F828 HydrophobicContact CD2-CB 4.42Å; L789-A837 HydrophobicContact CD1-CB 4.13Å; L789-A837 HydrophobicContact CD2-CB 4.15Å; L789-A837 HydrophobicContact CG-CB 4.28Å; L789-I840 HydrophobicContact CD2-CB 4Å; L789-I840 HydrophobicContact CD2-CD1 4.36Å; L789-I840 HydrophobicContact CD2-CG2 3.69Å; L789-V841 HydrophobicContact CD2-CG2 4.04Å |
| 790 | W | 94.2 | Very high | 85.7 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -5 | 175.1 | -62.8 | -92.8 | 0 | 0 | 0 | 113.9 | K747 S748 R786 K788 S813 I816 E820 V827 | K747-W790 HydrophobicContact CB-CB 4.42Å; K747-W790 HydrophobicContact CB-CD2 3.5Å; K747-W790 HydrophobicContact CB-CE3 3.79Å; K747-W790 HydrophobicContact CB-CG 3.81Å; K747-W790 HydrophobicContact CB-CH2 4.42Å; K747-W790 HydrophobicContact CB-CZ2 4.19Å; K747-W790 HydrophobicContact CB-CZ3 4.25Å; K747-W790 HydrophobicContact CD-CE3 4.4Å; K747-W790 HydrophobicContact CD-CZ3 4.36Å; S748-W790 WeakPolarHBondContact OG-CZ2 3.06Å; R786-W790 VanDerWaalsContact O-CZ3 3.27Å; R786-W790 WeakPolarHBondContact O-CZ3 3.23Å; K788-W790 PolarHBondContact O-N 3Å; K788-W790 VanDerWaalsContact O-N 3.15Å; W790-S813 WeakPolarHBondContact O-CA 3.43Å; W790-S813 WeakPolarHBondContact O-CB 3.43Å; W790-S813 PolarHBondContact O-OG 3.18Å; W790-I816 HydrophobicContact CG-CG2 4.36Å; W790-E820 VanDerWaalsContact CE2-OE1 3.25Å; W790-E820 WeakPolarHBondContact CZ2-OE1 3.23Å; W790-E820 PolarHBondContact NE1-OE1 3.01Å; W790-V827 HydrophobicContact CD2-CG1 4.12Å; W790-V827 HydrophobicContact CE3-CG1 4.43Å; W790-V827 HydrophobicContact CH2-CB 4.24Å; W790-V827 HydrophobicContact CH2-CG1 3.77Å; W790-V827 HydrophobicContact CH2-CG2 3.56Å; W790-V827 HydrophobicContact CZ2-CB 3.97Å; W790-V827 HydrophobicContact CZ2-CG1 3.38Å; W790-V827 HydrophobicContact CZ2-CG2 3.29Å; W790-V827 HydrophobicContact CZ3-CG1 4.26Å |
| 791 | T | 92.3 | Very high | 86.5 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.1 | 133.2 | -173.3 | -54.3 | 0 | 0 | 0 | 0 | 110 | K788 L795 L796 Y812 | K788-T791 VanDerWaalsContact O-CB 3.26Å; K788-T791 WeakPolarHBondContact O-CB 2.88Å; K788-T791 PolarHBondContact O-N 3.49Å; K788-T791 PolarHBondContact O-OG1 3.41Å; T791-L795 HydrophobicContact CG2-CB 3.81Å; T791-L796 HydrophobicContact CG2-CD2 3.75Å; T791-L796 HydrophobicContact CG2-CG 3.87Å; T791-Y812 WeakPolarHBondContact O-CE1 3.44Å |
| 792 | A | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -66.1 | 148.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E794 L795 L796 Y812 | A792-E794 VanDerWaalsContact C-N 3.3Å; A792-E794 VanDerWaalsContact CB-CD 3.49Å; A792-E794 VanDerWaalsContact CB-OE1 3.28Å; A792-E794 WeakPolarHBondContact CB-OE1 3.28Å; A792-E794 VanDerWaalsContact CB-OE2 3.28Å; A792-E794 WeakPolarHBondContact CB-OE2 3.35Å; A792-E794 PolarHBondContact O-N 2.7Å; A792-L795 HydrophobicContact CB-CD1 4.39Å; A792-L795 HydrophobicContact CB-CG 4.47Å; A792-L795 PolarHBondContact O-N 3.01Å; A792-L796 PolarHBondContact O-N 3.45Å; A792-Y812 HydrophobicContact CB-CD1 3.98Å; A792-Y812 HydrophobicContact CB-CD2 4.38Å; A792-Y812 HydrophobicContact CB-CG 3.76Å | ||
| 793 | P | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.9 | -41.1 | -176.2 | -20.8 | 26.5 | 0 | 0 | 0 | 113.7 | L795 L796 R797 Y812 V844 | P793-L795 VanDerWaalsContact C-N 3.3Å; P793-L795 PolarHBondContact O-N 3.03Å; P793-L796 PolarHBondContact O-N 3.33Å; P793-R797 VanDerWaalsContact O-CG 3.31Å; P793-R797 WeakPolarHBondContact O-CG 3.47Å; P793-R797 PolarHBondContact O-N 3.04Å; P793-Y812 VanDerWaalsContact CD-CE2 3.43Å; P793-Y812 HydrophobicContact CG-CD2 4.45Å; P793-Y812 HydrophobicContact CG-CE2 3.9Å; P793-V844 HydrophobicContact CB-CG1 4.12Å; P793-V844 HydrophobicContact CG-CG1 3.76Å |
| 794 | E | 92.5 | Very high | 86.8 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.3 | -32.9 | 178.9 | 72.6 | -77.8 | -172.7 | 0 | 0 | 112.7 | A792 T798 P877 R880 | A792-E794 VanDerWaalsContact C-N 3.3Å; A792-E794 VanDerWaalsContact CB-CD 3.49Å; A792-E794 VanDerWaalsContact CB-OE1 3.28Å; A792-E794 WeakPolarHBondContact CB-OE1 3.28Å; A792-E794 VanDerWaalsContact CB-OE2 3.28Å; A792-E794 WeakPolarHBondContact CB-OE2 3.35Å; A792-E794 PolarHBondContact O-N 2.7Å; E794-T798 PolarHBondContact O-N 3.07Å; E794-T798 PolarHBondContact O-OG1 2.88Å; E794-P877 HydrophobicContact CB-CG 4.16Å; E794-P877 HydrophobicContact CG-CG 3.81Å; E794-R880 VanDerWaalsContact CD-NH1 3.31Å; E794-R880 IonicContact OE1-CZ 3.13Å; E794-R880 IonicContact OE1-NH1 3.04Å; E794-R880 PolarHBondContact OE1-NH1 3.49Å; E794-R880 IonicContact OE1-NH2 3.56Å; E794-R880 IonicContact OE2-CZ 2.86Å; E794-R880 IonicContact OE2-NH1 3.54Å; E794-R880 PolarHBondContact OE2-NH1 2.94Å; E794-R880 VanDerWaalsContact OE2-NH1 3.17Å; E794-R880 IonicContact OE2-NH2 2.91Å; E794-R880 PolarHBondContact OE2-NH2 2.91Å |
| 795 | L | 91.2 | Very high | 87.1 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.4 | -26.8 | 176.4 | -64.6 | 177.9 | 0 | 0 | 0 | 111.7 | T791 A792 P793 P801 T806 | T791-L795 HydrophobicContact CG2-CB 3.81Å; A792-L795 HydrophobicContact CB-CD1 4.39Å; A792-L795 HydrophobicContact CB-CG 4.47Å; A792-L795 PolarHBondContact O-N 3.01Å; P793-L795 VanDerWaalsContact C-N 3.3Å; P793-L795 PolarHBondContact O-N 3.03Å; L795-P801 HydrophobicContact CD2-CB 4.25Å; L795-T806 HydrophobicContact CD2-CG2 4.08Å |
| 796 | L | 91.1 | Very high | 87.4 | Confident | 27 Ų | 27 | 54.4 Ų | 54.4 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.8 | -27.3 | 173.2 | -68.7 | 174 | 0 | 0 | 0 | 112.7 | K788 T791 A792 P793 V841 V844 R845 | K788-L796 HydrophobicContact CB-CD2 4.39Å; K788-L796 HydrophobicContact CD-CD2 4.11Å; T791-L796 HydrophobicContact CG2-CD2 3.75Å; T791-L796 HydrophobicContact CG2-CG 3.87Å; A792-L796 PolarHBondContact O-N 3.45Å; P793-L796 PolarHBondContact O-N 3.33Å; L796-V841 HydrophobicContact CD1-CG1 3.99Å; L796-V841 HydrophobicContact CD2-CG1 3.9Å; L796-V844 HydrophobicContact CD1-CG1 4.13Å; L796-R845 HydrophobicContact CB-CB 4.26Å; L796-R845 HydrophobicContact CB-CG 4.18Å; L796-R845 WeakPolarHBondContact O-CD 3.46Å |
| 797 | R | 91.5 | Very high | 87.7 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -87 | -21.7 | 178.5 | -69.6 | 170.1 | -168.9 | 139 | 14 | 113.9 | P793 V844 R845 G847 E875 | P793-R797 VanDerWaalsContact O-CG 3.31Å; P793-R797 WeakPolarHBondContact O-CG 3.47Å; P793-R797 PolarHBondContact O-N 3.04Å; R797-V844 PolarHBondContact NH2-O 3.03Å; R797-V844 VanDerWaalsContact NH2-O 3.09Å; R797-R845 HydrophobicContact CG-CG 4.12Å; R797-R845 WeakPolarHBondContact CG-O 3.48Å; R797-R845 PolarHBondContact NE-O 3.43Å; R797-R845 PolarHBondContact NH2-O 3.36Å; R797-G847 VanDerWaalsContact NH2-CA 3.26Å; R797-E875 IonicContact CZ-OE1 3.59Å; R797-E875 IonicContact NH1-OE1 3.37Å; R797-E875 PolarHBondContact NH1-OE1 3.16Å; R797-E875 IonicContact NH2-OE1 2.86Å; R797-E875 PolarHBondContact NH2-OE1 3.24Å |
| 798 | T | 86.1 | Confident | 88.1 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | trans | -77.8 | 126.1 | 179.8 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | E794 C800 P801 | E794-T798 PolarHBondContact O-N 3.07Å; E794-T798 PolarHBondContact O-OG1 2.88Å; T798-C800 VanDerWaalsContact C-N 3.32Å; T798-C800 PolarHBondContact O-N 3.4Å; T798-P801 WeakPolarHBondContact O-CD 3.27Å | ||
| 799 | D | 78.4 | Confident | 88.3 | Confident | 165 Ų | 165 | 45.6 Ų | 45.6 | 88% | 0.882 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -59.9 | -41.7 | -178.7 | -65.7 | -40.1 | 0 | 0 | 0 | 112.9 | ||
| 800 | C | 77.3 | Confident | 88.5 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 78% | 0.784 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -125.1 | 77.3 | 178.9 | -73.4 | 0 | 0 | 0 | 0 | 109.7 | T798 | T798-C800 VanDerWaalsContact C-N 3.32Å; T798-C800 PolarHBondContact O-N 3.4Å |
| 801 | P | 81.2 | Confident | 88.6 | Confident | 47 Ų | 47 | 44.3 Ų | 44.3 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | trans | -64.9 | 145.9 | -179.7 | 27.9 | -31.9 | 0 | 0 | 0 | 109.7 | L795 T798 T803 | L795-P801 HydrophobicContact CD2-CB 4.25Å; T798-P801 WeakPolarHBondContact O-CD 3.27Å; P801-T803 PolarHBondContact O-N 3.39Å | ||
| 802 | P | 81.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 43 Ų | 43 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | trans | -55.6 | 134.6 | 177 | 21.8 | -31.5 | 0 | 0 | 0 | 110 | G804 G805 T806 | P802-G804 PolarHBondContact O-N 3.3Å; P802-G804 VanDerWaalsContact O-N 3.16Å; P802-G805 WeakPolarHBondContact O-CA 3.49Å; P802-G805 PolarHBondContact O-N 2.84Å; P802-T806 HydrophobicContact CG-CG2 4.03Å | ||
| 803 | T | 74.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.8 | -173.7 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | H767 D771 P801 | H767-T803 PolarHBondContact ND1-O 3.4Å; D771-T803 VanDerWaalsContact OD1-CG2 3.32Å; D771-T803 WeakPolarHBondContact OD1-CG2 3.41Å; D771-T803 WeakPolarHBondContact OD2-CG2 3.36Å; D771-T803 PolarHBondContact OD2-OG1 3.34Å; P801-T803 PolarHBondContact O-N 3.39Å |
| 804 | G | 78.8 | Confident | 89.1 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.1 | S742 G744 H767 P802 | S742-G804 WeakPolarHBondContact CB-O 3.46Å; S742-G804 PolarHBondContact OG-O 3.29Å; G744-G804 WeakPolarHBondContact CA-O 3.45Å; G744-G804 PolarHBondContact N-O 3.27Å; H767-G804 WeakPolarHBondContact CE1-CA 3.33Å; H767-G804 WeakPolarHBondContact ND1-CA 3.34Å; P802-G804 PolarHBondContact O-N 3.3Å; P802-G804 VanDerWaalsContact O-N 3.16Å |
| 805 | G | 87.5 | Confident | 89.2 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | trans | 64.6 | -159.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P802 | P802-G805 WeakPolarHBondContact O-CA 3.49Å; P802-G805 PolarHBondContact O-N 2.84Å | ||
| 806 | T | 92.7 | Very high | 89.4 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | trans | -131.4 | 149.7 | 178 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | S742 L795 P802 K808 G809 D810 | S742-T806 PolarHBondContact OG-N 3.37Å; S742-T806 PolarHBondContact OG-O 2.93Å; L795-T806 HydrophobicContact CD2-CG2 4.08Å; P802-T806 HydrophobicContact CG-CG2 4.03Å; T806-K808 PolarHBondContact O-N 3.1Å; T806-G809 WeakPolarHBondContact O-CA 3.46Å; T806-G809 PolarHBondContact O-N 2.9Å; T806-G809 PolarHBondContact OG1-N 3.36Å; T806-D810 PolarHBondContact O-N 3.39Å | ||
| 807 | P | 93.8 | Very high | 89.6 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.5 | -36.3 | 176.3 | -25.9 | 33.8 | 0 | 0 | 0 | 113 | H736 D810 V811 | H736-P807 PolarHBondContact CE1-O 3.11Å; P807-D810 PolarHBondContact O-N 3.11Å; P807-V811 WeakPolarHBondContact O-CG2 3.23Å; P807-V811 PolarHBondContact O-N 2.77Å |
| 808 | K | 95.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 34.8 Ų | 34.8 | 27% | 0.274 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.5 | -27.7 | 176.1 | -65.5 | -62.6 | -163.9 | 135.1 | 0 | 113.3 | T806 Y812 P877 D878 R880 | T806-K808 PolarHBondContact O-N 3.1Å; K808-Y812 PolarHBondContact O-N 3.33Å; K808-P877 HydrophobicContact CB-CB 4.06Å; K808-P877 WeakPolarHBondContact CD-O 3.3Å; K808-P877 HydrophobicContact CG-CB 4.44Å; K808-P877 PolarHBondContact NZ-O 3.13Å; K808-D878 PolarHBondContact NZ-O 3.14Å; K808-R880 PolarHBondContact NZ-O 3.08Å; K808-R880 PolarHBondContact O-NH1 3.32Å |
| 809 | G | 94.8 | Very high | 90 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T806 V811 Y812 S813 | T806-G809 WeakPolarHBondContact O-CA 3.46Å; T806-G809 PolarHBondContact O-N 2.9Å; T806-G809 PolarHBondContact OG1-N 3.36Å; G809-V811 VanDerWaalsContact C-N 3.28Å; G809-V811 PolarHBondContact O-N 3.01Å; G809-Y812 WeakPolarHBondContact O-CB 3.48Å; G809-Y812 PolarHBondContact O-N 3.29Å; G809-Y812 VanDerWaalsContact O-N 3.13Å; G809-S813 PolarHBondContact O-N 3.48Å; G809-S813 PolarHBondContact O-OG 2.99Å |
| 810 | D | 95.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 176.1 | -63.8 | -34.7 | 0 | 0 | 0 | 112.5 | M732 H736 S742 H743 G744 T806 P807 Y812 S813 F814 F883 | M732-D810 HydrophobicContact CE-CB 3.62Å; H736-D810 IonicContact CD2-OD2 3.01Å; H736-D810 IonicContact CE1-OD2 2.73Å; H736-D810 IonicContact NE2-OD2 3.67Å; H736-D810 PolarHBondContact NE2-OD2 2.74Å; S742-D810 WeakPolarHBondContact CA-OD2 3.24Å; S742-D810 WeakPolarHBondContact CB-OD2 3.1Å; S742-D810 PolarHBondContact OG-OD1 3.39Å; S742-D810 PolarHBondContact OG-OD2 3.21Å; H743-D810 PolarHBondContact N-OD2 2.81Å; G744-D810 PolarHBondContact N-OD1 3.33Å; T806-D810 PolarHBondContact O-N 3.39Å; P807-D810 PolarHBondContact O-N 3.11Å; D810-Y812 VanDerWaalsContact C-N 3.35Å; D810-S813 PolarHBondContact O-N 2.86Å; D810-F814 WeakPolarHBondContact O-CB 3.34Å; D810-F814 PolarHBondContact O-N 3.12Å; D810-F883 HydrophobicContact CB-CE2 4.3Å |
| 811 | V | 96.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | P807 G809 F814 G815 C872 R880 P881 F883 | P807-V811 WeakPolarHBondContact O-CG2 3.23Å; P807-V811 PolarHBondContact O-N 2.77Å; G809-V811 VanDerWaalsContact C-N 3.28Å; G809-V811 PolarHBondContact O-N 3.01Å; V811-F814 WeakPolarHBondContact O-CB 3.48Å; V811-F814 PolarHBondContact O-N 2.91Å; V811-G815 PolarHBondContact O-N 2.72Å; V811-C872 HydrophobicContact CG1-CB 3.97Å; V811-R880 HydrophobicContact CG1-CB 3.97Å; V811-P881 VanDerWaalsContact CG1-O 3.3Å; V811-P881 WeakPolarHBondContact CG1-O 3.42Å; V811-F883 HydrophobicContact CG2-CD2 4Å; V811-F883 HydrophobicContact CG2-CE2 3.78Å; V811-F883 HydrophobicContact CG2-CZ 4.42Å |
| 812 | Y | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 174 | 179.7 | -83.1 | 0 | 0 | 0 | 111.1 | T791 A792 P793 K808 G809 D810 F814 G815 I816 C872 W873 | T791-Y812 WeakPolarHBondContact O-CE1 3.44Å; A792-Y812 HydrophobicContact CB-CD1 3.98Å; A792-Y812 HydrophobicContact CB-CD2 4.38Å; A792-Y812 HydrophobicContact CB-CG 3.76Å; P793-Y812 VanDerWaalsContact CD-CE2 3.43Å; P793-Y812 HydrophobicContact CG-CD2 4.45Å; P793-Y812 HydrophobicContact CG-CE2 3.9Å; K808-Y812 PolarHBondContact O-N 3.33Å; G809-Y812 WeakPolarHBondContact O-CB 3.48Å; G809-Y812 PolarHBondContact O-N 3.29Å; G809-Y812 VanDerWaalsContact O-N 3.13Å; D810-Y812 VanDerWaalsContact C-N 3.35Å; Y812-F814 PolarHBondContact O-N 2.99Å; Y812-G815 WeakPolarHBondContact O-CA 3.46Å; Y812-G815 PolarHBondContact O-N 2.86Å; Y812-I816 HydrophobicContact CD1-CG1 4.2Å; Y812-I816 HydrophobicContact CE1-CD1 4.14Å; Y812-I816 HydrophobicContact CE1-CG1 3.78Å; Y812-I816 PolarHBondContact O-N 3.42Å; Y812-I816 VanDerWaalsContact O-N 3.15Å; Y812-C872 WeakPolarHBondContact CA-O 3.42Å; Y812-W873 HydrophobicContact CD2-CB 3.77Å; Y812-W873 HydrophobicContact CE2-CB 3.71Å |
| 813 | S | 96.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 5% | 0.049 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.8 | -39.4 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | L746 W790 G809 D810 I816 I817 | L746-S813 VanDerWaalsContact O-CB 3.32Å; L746-S813 WeakPolarHBondContact O-CB 3.36Å; W790-S813 WeakPolarHBondContact O-CA 3.43Å; W790-S813 WeakPolarHBondContact O-CB 3.43Å; W790-S813 PolarHBondContact O-OG 3.18Å; G809-S813 PolarHBondContact O-N 3.48Å; G809-S813 PolarHBondContact O-OG 2.99Å; D810-S813 PolarHBondContact O-N 2.86Å; S813-I816 PolarHBondContact O-N 2.94Å; S813-I817 WeakPolarHBondContact O-CG1 3.26Å; S813-I817 PolarHBondContact O-N 3.42Å |
| 814 | F | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 173.7 | 176.4 | -105.8 | 0 | 0 | 0 | 112.7 | I725 I728 I729 L746 D810 V811 Y812 I816 I817 L818 F883 V886 | I725-F814 HydrophobicContact CG2-CZ 4.05Å; I728-F814 HydrophobicContact CB-CD2 4.46Å; I728-F814 HydrophobicContact CB-CE2 4.08Å; I728-F814 HydrophobicContact CG2-CD2 3.61Å; I728-F814 HydrophobicContact CG2-CE2 3.72Å; I729-F814 HydrophobicContact CD1-CZ 4Å; I729-F814 HydrophobicContact CG1-CE1 4.4Å; I729-F814 HydrophobicContact CG1-CE2 4.07Å; I729-F814 HydrophobicContact CG1-CZ 3.64Å; L746-F814 HydrophobicContact CD2-CB 4.19Å; D810-F814 WeakPolarHBondContact O-CB 3.34Å; D810-F814 PolarHBondContact O-N 3.12Å; V811-F814 WeakPolarHBondContact O-CB 3.48Å; V811-F814 PolarHBondContact O-N 2.91Å; Y812-F814 PolarHBondContact O-N 2.99Å; F814-I816 VanDerWaalsContact C-N 3.33Å; F814-I816 PolarHBondContact O-N 3.49Å; F814-I817 PolarHBondContact O-N 3.28Å; F814-L818 HydrophobicContact CD1-CD1 4.01Å; F814-L818 HydrophobicContact CD1-CG 4.24Å; F814-L818 HydrophobicContact CE1-CD1 3.47Å; F814-L818 VanDerWaalsContact CE1-CD1 3.47Å; F814-L818 HydrophobicContact CE1-CD2 4.22Å; F814-L818 HydrophobicContact CE1-CG 3.81Å; F814-L818 HydrophobicContact CE2-CD2 4.22Å; F814-L818 HydrophobicContact CE2-CG 4.26Å; F814-L818 HydrophobicContact CZ-CD1 3.92Å; F814-L818 HydrophobicContact CZ-CD2 3.78Å; F814-L818 HydrophobicContact CZ-CG 3.84Å; F814-L818 WeakPolarHBondContact O-CG 3.32Å; F814-L818 PolarHBondContact O-N 3.23Å; F814-F883 HydrophobicContact CB-CE1 3.98Å; F814-F883 HydrophobicContact CB-CZ 3.78Å; F814-F883 AromaticContact CD1-CE1 3.88Å; F814-F883 HydrophobicContact CD1-CE1 3.88Å; F814-F883 HydrophobicContact CD1-CZ 4.45Å; F814-F883 AromaticContact CD2-CE1 3.97Å; F814-F883 HydrophobicContact CD2-CE1 3.97Å; F814-F883 HydrophobicContact CD2-CZ 4.5Å; F814-F883 HydrophobicContact CE1-CE1 4.34Å; F814-F883 HydrophobicContact CE2-CE1 4.42Å; F814-F883 AromaticContact CG-CE1 3.66Å; F814-F883 HydrophobicContact CG-CE1 3.66Å; F814-F883 HydrophobicContact CG-CZ 4.01Å; F814-V886 HydrophobicContact CE1-CG1 3.63Å; F814-V886 HydrophobicContact CZ-CG1 4.22Å |
| 815 | G | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | V811 Y812 L818 H819 W873 | V811-G815 PolarHBondContact O-N 2.72Å; Y812-G815 WeakPolarHBondContact O-CA 3.46Å; Y812-G815 PolarHBondContact O-N 2.86Å; G815-L818 PolarHBondContact O-N 3.29Å; G815-H819 PolarHBondContact O-N 3.02Å; G815-W873 WeakPolarHBondContact O-CZ3 3.4Å |
| 816 | I | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 175.1 | -56.6 | -59.9 | 0 | 0 | 0 | 111.3 | W790 Y812 S813 F814 L818 H819 E820 V827 F828 P854 W873 | W790-I816 HydrophobicContact CG-CG2 4.36Å; Y812-I816 HydrophobicContact CD1-CG1 4.2Å; Y812-I816 HydrophobicContact CE1-CD1 4.14Å; Y812-I816 HydrophobicContact CE1-CG1 3.78Å; Y812-I816 PolarHBondContact O-N 3.42Å; Y812-I816 VanDerWaalsContact O-N 3.15Å; S813-I816 PolarHBondContact O-N 2.94Å; F814-I816 VanDerWaalsContact C-N 3.33Å; F814-I816 PolarHBondContact O-N 3.49Å; I816-L818 VanDerWaalsContact C-N 3.34Å; I816-L818 PolarHBondContact O-N 3.3Å; I816-H819 WeakPolarHBondContact O-CB 3.48Å; I816-H819 PolarHBondContact O-N 2.97Å; I816-E820 PolarHBondContact O-N 2.98Å; I816-V827 HydrophobicContact CG2-CG1 4.23Å; I816-F828 HydrophobicContact CD1-CD2 3.69Å; I816-F828 HydrophobicContact CD1-CE2 3.71Å; I816-P854 HydrophobicContact CD1-CG 3.72Å; I816-W873 HydrophobicContact CD1-CE3 3.87Å; I816-W873 HydrophobicContact CD1-CZ3 4.33Å |
| 817 | I | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.5 | -65.3 | 166.4 | 0 | 0 | 0 | 111.1 | L705 I728 L746 S813 F814 H819 E820 M821 | L705-I817 HydrophobicContact CD2-CG2 3.76Å; I728-I817 HydrophobicContact CD1-CG2 4.01Å; L746-I817 HydrophobicContact CD1-CD1 4.43Å; L746-I817 HydrophobicContact CD2-CD1 4.27Å; L746-I817 HydrophobicContact CG-CD1 3.84Å; S813-I817 WeakPolarHBondContact O-CG1 3.26Å; S813-I817 PolarHBondContact O-N 3.42Å; F814-I817 PolarHBondContact O-N 3.28Å; I817-H819 VanDerWaalsContact C-N 3.29Å; I817-H819 PolarHBondContact O-N 3.49Å; I817-E820 WeakPolarHBondContact O-CB 3.42Å; I817-E820 PolarHBondContact O-N 2.69Å; I817-M821 HydrophobicContact CG2-CG 4.29Å; I817-M821 HydrophobicContact CG2-SD 4Å; I817-M821 VanDerWaalsContact O-CG 3.27Å; I817-M821 WeakPolarHBondContact O-CG 3.37Å; I817-M821 PolarHBondContact O-N 2.99Å |
| 818 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 174.3 | -77 | -178.8 | 0 | 0 | 0 | 111.3 | I725 F814 G815 I816 M821 L822 V868 M869 | I725-L818 HydrophobicContact CB-CD2 4.39Å; I725-L818 HydrophobicContact CD1-CD2 3.73Å; I725-L818 HydrophobicContact CG1-CD2 3.64Å; I725-L818 HydrophobicContact CG2-CD2 3.85Å; F814-L818 HydrophobicContact CD1-CD1 4.01Å; F814-L818 HydrophobicContact CD1-CG 4.24Å; F814-L818 HydrophobicContact CE1-CD1 3.47Å; F814-L818 VanDerWaalsContact CE1-CD1 3.47Å; F814-L818 HydrophobicContact CE1-CD2 4.22Å; F814-L818 HydrophobicContact CE1-CG 3.81Å; F814-L818 HydrophobicContact CE2-CD2 4.22Å; F814-L818 HydrophobicContact CE2-CG 4.26Å; F814-L818 HydrophobicContact CZ-CD1 3.92Å; F814-L818 HydrophobicContact CZ-CD2 3.78Å; F814-L818 HydrophobicContact CZ-CG 3.84Å; F814-L818 WeakPolarHBondContact O-CG 3.32Å; F814-L818 PolarHBondContact O-N 3.23Å; G815-L818 PolarHBondContact O-N 3.29Å; I816-L818 VanDerWaalsContact C-N 3.34Å; I816-L818 PolarHBondContact O-N 3.3Å; L818-M821 PolarHBondContact O-N 3.22Å; L818-L822 WeakPolarHBondContact O-CB 3.49Å; L818-L822 WeakPolarHBondContact O-CG 3.29Å; L818-L822 PolarHBondContact O-N 3.2Å; L818-V868 HydrophobicContact CD1-CG1 4.26Å; L818-M869 HydrophobicContact CB-CB 4.27Å; L818-M869 HydrophobicContact CB-CG 4.01Å; L818-M869 HydrophobicContact CB-SD 4.47Å; L818-M869 HydrophobicContact CD1-CB 4.12Å |
| 819 | H | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.2 | 175.4 | -89.4 | 0 | 0 | 0 | 112.5 | G815 I816 I817 M821 L822 F823 P854 L855 M869 W873 | G815-H819 PolarHBondContact O-N 3.02Å; I816-H819 WeakPolarHBondContact O-CB 3.48Å; I816-H819 PolarHBondContact O-N 2.97Å; I817-H819 VanDerWaalsContact C-N 3.29Å; I817-H819 PolarHBondContact O-N 3.49Å; H819-M821 VanDerWaalsContact C-N 3.3Å; H819-M821 PolarHBondContact O-N 3.44Å; H819-L822 PolarHBondContact O-N 2.93Å; H819-F823 HydrophobicContact CB-CD2 4.46Å; H819-F823 AromaticContact CD2-CD2 3.26Å; H819-F823 WeakPolarHBondContact CD2-CD2 3.43Å; H819-F823 AromaticContact CD2-CE2 3.42Å; H819-F823 VanDerWaalsContact CD2-CE2 3.42Å; H819-F823 WeakPolarHBondContact CD2-CE2 3.36Å; H819-F823 AromaticContact CG-CD2 3.79Å; H819-F823 AromaticContact NE2-CD2 3.51Å; H819-F823 AromaticContact NE2-CE2 3.94Å; H819-F823 WeakPolarHBondContact O-CD2 3.48Å; H819-F823 PolarHBondContact O-N 3.04Å; H819-P854 VanDerWaalsContact CE1-CB 3.47Å; H819-P854 WeakPolarHBondContact CE1-CB 3.27Å; H819-P854 WeakPolarHBondContact NE2-CB 3.34Å; H819-L855 PolarHBondContact NE2-O 3.08Å; H819-M869 HydrophobicContact CB-SD 3.7Å; H819-W873 HydrophobicContact CB-CH2 3.98Å; H819-W873 HydrophobicContact CB-CZ3 3.6Å; H819-W873 AromaticContact CD2-CH2 3.89Å |
| 820 | E | 92.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 173.4 | -77.3 | 174.7 | -121 | 0 | 0 | 112.2 | L709 S748 W790 I816 I817 R824 V827 | L709-E820 HydrophobicContact CD1-CB 4.02Å; S748-E820 WeakPolarHBondContact CB-OE2 3.5Å; S748-E820 PolarHBondContact OG-OE2 3.32Å; W790-E820 VanDerWaalsContact CE2-OE1 3.25Å; W790-E820 WeakPolarHBondContact CZ2-OE1 3.23Å; W790-E820 PolarHBondContact NE1-OE1 3.01Å; I816-E820 PolarHBondContact O-N 2.98Å; I817-E820 WeakPolarHBondContact O-CB 3.42Å; I817-E820 PolarHBondContact O-N 2.69Å; E820-R824 WeakPolarHBondContact O-CA 3.33Å; E820-R824 PolarHBondContact O-N 3.17Å; E820-V827 HydrophobicContact CG-CB 4.47Å; E820-V827 HydrophobicContact CG-CG2 4.35Å |
| 821 | M | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.1 | -36.2 | -178.9 | -69.5 | 179.6 | 75.5 | 0 | 0 | 113.4 | L705 L709 R721 L724 I725 I728 I817 L818 H819 | L705-M821 HydrophobicContact CD1-CE 4.37Å; L705-M821 HydrophobicContact CD2-CG 3.99Å; L705-M821 HydrophobicContact CD2-SD 3.82Å; L709-M821 HydrophobicContact CD1-CG 4.23Å; L709-M821 HydrophobicContact CD2-CG 4.39Å; R721-M821 PolarHBondContact NH1-O 2.73Å; R721-M821 WeakPolarHBondContact O-CE 3.27Å; L724-M821 HydrophobicContact CB-CE 3.42Å; L724-M821 VanDerWaalsContact CB-CE 3.42Å; L724-M821 HydrophobicContact CD1-CE 4.23Å; L724-M821 HydrophobicContact CG-CE 4.48Å; I725-M821 HydrophobicContact CD1-CE 4.41Å; I725-M821 HydrophobicContact CG1-CE 3.63Å; I725-M821 HydrophobicContact CG1-SD 3.84Å; I728-M821 HydrophobicContact CD1-SD 4.01Å; I817-M821 HydrophobicContact CG2-CG 4.29Å; I817-M821 HydrophobicContact CG2-SD 4Å; I817-M821 VanDerWaalsContact O-CG 3.27Å; I817-M821 WeakPolarHBondContact O-CG 3.37Å; I817-M821 PolarHBondContact O-N 2.99Å; L818-M821 PolarHBondContact O-N 3.22Å; H819-M821 VanDerWaalsContact C-N 3.3Å; H819-M821 PolarHBondContact O-N 3.44Å |
| 822 | L | 88.4 | Confident | 89.5 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -76.1 | -47.8 | -178.6 | -68.9 | 174.3 | 0 | 0 | 0 | 111.3 | R721 L818 H819 F861 I865 L866 M869 | R721-L822 PolarHBondContact NH1-O 3.35Å; L818-L822 WeakPolarHBondContact O-CB 3.49Å; L818-L822 WeakPolarHBondContact O-CG 3.29Å; L818-L822 PolarHBondContact O-N 3.2Å; H819-L822 PolarHBondContact O-N 2.93Å; L822-F861 HydrophobicContact CB-CD2 4.34Å; L822-F861 HydrophobicContact CB-CE2 4.12Å; L822-F861 HydrophobicContact CB-CZ 4.48Å; L822-F861 HydrophobicContact CD2-CD1 3.91Å; L822-F861 HydrophobicContact CD2-CD2 4.31Å; L822-F861 HydrophobicContact CD2-CE1 4.07Å; L822-F861 HydrophobicContact CD2-CE2 4.48Å; L822-F861 HydrophobicContact CD2-CG 4.08Å; L822-F861 HydrophobicContact CD2-CZ 4.39Å; L822-F861 WeakPolarHBondContact O-CE2 3.26Å; L822-F861 WeakPolarHBondContact O-CZ 3.44Å; L822-I865 HydrophobicContact CD1-CG1 4.27Å; L822-I865 HydrophobicContact CD2-CD1 4.13Å; L822-L866 HydrophobicContact CD1-CD2 4.22Å; L822-M869 HydrophobicContact CD1-SD 3.87Å |
| 823 | F | 86.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 32.1 Ų | 32.1 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -96.9 | -24.5 | -171.4 | -59.7 | -71.9 | 0 | 0 | 0 | 114.4 | H819 R825 V856 M857 T859 L866 M869 | H819-F823 HydrophobicContact CB-CD2 4.46Å; H819-F823 AromaticContact CD2-CD2 3.26Å; H819-F823 WeakPolarHBondContact CD2-CD2 3.43Å; H819-F823 AromaticContact CD2-CE2 3.42Å; H819-F823 VanDerWaalsContact CD2-CE2 3.42Å; H819-F823 WeakPolarHBondContact CD2-CE2 3.36Å; H819-F823 AromaticContact CG-CD2 3.79Å; H819-F823 AromaticContact NE2-CD2 3.51Å; H819-F823 AromaticContact NE2-CE2 3.94Å; H819-F823 WeakPolarHBondContact O-CD2 3.48Å; H819-F823 PolarHBondContact O-N 3.04Å; F823-R825 VanDerWaalsContact C-N 3.25Å; F823-R825 HydrophobicContact CB-CG 4.5Å; F823-R825 PolarHBondContact O-N 3.3Å; F823-V856 HydrophobicContact CZ-CG1 3.96Å; F823-M857 HydrophobicContact CD1-CB 4.18Å; F823-M857 HydrophobicContact CD1-CG 4.36Å; F823-M857 HydrophobicContact CE1-CB 3.92Å; F823-M857 HydrophobicContact CE1-CG 4.47Å; F823-T859 HydrophobicContact CD1-CG2 4.35Å; F823-T859 HydrophobicContact CE1-CG2 4Å; F823-L866 HydrophobicContact CZ-CD2 4.19Å; F823-M869 HydrophobicContact CE2-CE 4.08Å; F823-M869 HydrophobicContact CE2-SD 4.24Å |
| 824 | R | 86.1 | Confident | 87.1 | Confident | 63 Ų | 63 | 36.8 Ų | 36.8 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | trans | 50 | 39.5 | -176.9 | -65 | -158.4 | 179.9 | -165.3 | 16.2 | 114.6 | L709 N711 I714 E820 | L709-R824 HydrophobicContact CD2-CG 3.95Å; L709-R824 PolarHBondContact O-NH1 2.91Å; N711-R824 PolarHBondContact O-NH1 2.94Å; I714-R824 PolarHBondContact O-NH1 3.1Å; I714-R824 PolarHBondContact O-NH2 3.07Å; E820-R824 WeakPolarHBondContact O-CA 3.33Å; E820-R824 PolarHBondContact O-N 3.17Å | ||
| 825 | R | 84.8 | Confident | 86.4 | Confident | 160 Ų | 160 | 38.1 Ų | 38.1 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -107.7 | 18.2 | 177 | -64.8 | -64.6 | -174.7 | 160.8 | 1.1 | 113.2 | F823 Y829 | F823-R825 VanDerWaalsContact C-N 3.25Å; F823-R825 HydrophobicContact CB-CG 4.5Å; F823-R825 PolarHBondContact O-N 3.3Å; R825-Y829 HydrophobicContact CB-CD1 3.95Å; R825-Y829 HydrophobicContact CB-CD2 3.74Å; R825-Y829 HydrophobicContact CB-CE1 4.39Å; R825-Y829 HydrophobicContact CB-CE2 4.2Å; R825-Y829 HydrophobicContact CB-CG 3.59Å; R825-Y829 HydrophobicContact CG-CD1 4.34Å; R825-Y829 HydrophobicContact CG-CE1 4.39Å; R825-Y829 HydrophobicContact CG-CG 4.43Å |
| 826 | G | 84.3 | Confident | 85.9 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | trans | 85.7 | -178.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 827 | V | 87.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 131.4 | -173.6 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | L789 W790 I816 E820 Y829 | L789-V827 HydrophobicContact CB-CG1 3.83Å; L789-V827 HydrophobicContact CD1-CB 4.31Å; L789-V827 HydrophobicContact CD1-CG1 4.01Å; W790-V827 HydrophobicContact CD2-CG1 4.12Å; W790-V827 HydrophobicContact CE3-CG1 4.43Å; W790-V827 HydrophobicContact CH2-CB 4.24Å; W790-V827 HydrophobicContact CH2-CG1 3.77Å; W790-V827 HydrophobicContact CH2-CG2 3.56Å; W790-V827 HydrophobicContact CZ2-CB 3.97Å; W790-V827 HydrophobicContact CZ2-CG1 3.38Å; W790-V827 HydrophobicContact CZ2-CG2 3.29Å; W790-V827 HydrophobicContact CZ3-CG1 4.26Å; I816-V827 HydrophobicContact CG2-CG1 4.23Å; E820-V827 HydrophobicContact CG-CB 4.47Å; E820-V827 HydrophobicContact CG-CG2 4.35Å; V827-Y829 VanDerWaalsContact C-N 3.32Å; V827-Y829 PolarHBondContact O-N 3.41Å |
| 828 | F | 89.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 48.3 | 176 | -145.7 | -69.5 | 0 | 0 | 0 | 112.7 | L789 I816 T830 I840 V844 F852 P854 | L789-F828 HydrophobicContact CD2-CB 4.42Å; I816-F828 HydrophobicContact CD1-CD2 3.69Å; I816-F828 HydrophobicContact CD1-CE2 3.71Å; F828-T830 HydrophobicContact CD1-CG2 4.05Å; F828-T830 HydrophobicContact CE1-CG2 4.36Å; F828-T830 PolarHBondContact O-N 3.34Å; F828-I840 HydrophobicContact CB-CG2 4.38Å; F828-I840 HydrophobicContact CD1-CG2 3.48Å; F828-I840 VanDerWaalsContact CD1-CG2 3.48Å; F828-I840 HydrophobicContact CD2-CG2 4.27Å; F828-I840 HydrophobicContact CE1-CG2 3.74Å; F828-I840 HydrophobicContact CE2-CG2 4.47Å; F828-I840 HydrophobicContact CG-CG2 3.79Å; F828-I840 HydrophobicContact CZ-CG2 4.24Å; F828-V844 HydrophobicContact CE1-CG2 4.36Å; F828-V844 HydrophobicContact CE2-CG2 3.96Å; F828-V844 HydrophobicContact CZ-CG2 3.53Å; F828-F852 HydrophobicContact CE1-CD1 4.11Å; F828-F852 AromaticContact CE1-CE1 3.92Å; F828-F852 HydrophobicContact CE1-CE1 3.92Å; F828-F852 HydrophobicContact CZ-CD1 4.48Å; F828-P854 HydrophobicContact CD1-CB 4.4Å; F828-P854 HydrophobicContact CD1-CG 3.9Å; F828-P854 HydrophobicContact CD2-CG 3.88Å; F828-P854 HydrophobicContact CE1-CG 3.94Å; F828-P854 HydrophobicContact CE2-CG 3.93Å; F828-P854 HydrophobicContact CG-CG 3.86Å; F828-P854 HydrophobicContact CZ-CG 3.96Å |
| 829 | Y | 87.6 | Confident | 85 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 17% | 0.169 | 29% | 0.289 | C | S | . | . | trans | -65.1 | 126.9 | 178.9 | 176.6 | -101.1 | 0 | 0 | 0 | 111.4 | R825 V827 L855 M857 | R825-Y829 HydrophobicContact CB-CD1 3.95Å; R825-Y829 HydrophobicContact CB-CD2 3.74Å; R825-Y829 HydrophobicContact CB-CE1 4.39Å; R825-Y829 HydrophobicContact CB-CE2 4.2Å; R825-Y829 HydrophobicContact CB-CG 3.59Å; R825-Y829 HydrophobicContact CG-CD1 4.34Å; R825-Y829 HydrophobicContact CG-CE1 4.39Å; R825-Y829 HydrophobicContact CG-CG 4.43Å; V827-Y829 VanDerWaalsContact C-N 3.32Å; V827-Y829 PolarHBondContact O-N 3.41Å; Y829-L855 HydrophobicContact CE1-CD2 4.25Å; Y829-L855 PolarHBondContact O-N 3.43Å; Y829-M857 HydrophobicContact CE1-SD 4.33Å | ||
| 830 | T | 85 | Confident | 84.8 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | trans | -110 | -5.8 | -175.8 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | F828 D832 L835 F852 | F828-T830 HydrophobicContact CD1-CG2 4.05Å; F828-T830 HydrophobicContact CE1-CG2 4.36Å; F828-T830 PolarHBondContact O-N 3.34Å; T830-D832 PolarHBondContact O-N 3.48Å; T830-D832 PolarHBondContact OG1-O 3.09Å; T830-L835 HydrophobicContact CG2-CD1 4.24Å; T830-F852 HydrophobicContact CG2-CE1 4.15Å; T830-F852 HydrophobicContact CG2-CE2 4.37Å; T830-F852 HydrophobicContact CG2-CZ 3.57Å | ||
| 831 | G | 78.1 | Confident | 84.8 | Confident | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 86 | -18.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 832 | D | 77 | Confident | 84.7 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | trans | -108.2 | 100.9 | 177.3 | -175.6 | 1.4 | 0 | 0 | 0 | 109.5 | T830 C834 L835 | T830-D832 PolarHBondContact O-N 3.48Å; T830-D832 PolarHBondContact OG1-O 3.09Å; D832-C834 PolarHBondContact O-N 3.4Å; D832-C834 VanDerWaalsContact O-N 3.08Å; D832-C834 VanDerWaalsContact OD1-CB 3.31Å; D832-C834 WeakPolarHBondContact OD1-CB 3.38Å; D832-C834 PolarHBondContact OD1-N 3.02Å; D832-C834 VanDerWaalsContact OD1-N 3.11Å; D832-L835 HydrophobicContact CB-CD1 4.1Å; D832-L835 HydrophobicContact CB-CG 4.48Å; D832-L835 PolarHBondContact O-N 2.86Å | ||
| 833 | D | 69.2 | Low | 84.9 | Confident | 146 Ų | 146 | 61.2 Ų | 61.2 | 78% | 0.781 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.5 | -179.3 | -71.4 | -27.4 | 0 | 0 | 0 | 113 | ||
| 834 | C | 72.8 | Confident | 85.1 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 72% | 0.716 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.1 | -178.6 | -59.2 | 0 | 0 | 0 | 0 | 114.2 | D832 L836 | D832-C834 PolarHBondContact O-N 3.4Å; D832-C834 VanDerWaalsContact O-N 3.08Å; D832-C834 VanDerWaalsContact OD1-CB 3.31Å; D832-C834 WeakPolarHBondContact OD1-CB 3.38Å; D832-C834 PolarHBondContact OD1-N 3.02Å; D832-C834 VanDerWaalsContact OD1-N 3.11Å; C834-L836 PolarHBondContact O-N 3.22Å |
| 835 | L | 81.8 | Confident | 85.4 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | trans | -74.5 | 119.4 | -176.9 | -76.5 | 164.1 | 0 | 0 | 0 | 111.9 | T830 D832 D839 I840 R843 F852 | T830-L835 HydrophobicContact CG2-CD1 4.24Å; D832-L835 HydrophobicContact CB-CD1 4.1Å; D832-L835 HydrophobicContact CB-CG 4.48Å; D832-L835 PolarHBondContact O-N 2.86Å; L835-D839 HydrophobicContact CD2-CB 4.2Å; L835-I840 HydrophobicContact CB-CD1 4.18Å; L835-I840 HydrophobicContact CB-CG1 3.99Å; L835-R843 VanDerWaalsContact CD2-NH2 3.33Å; L835-F852 HydrophobicContact CD1-CZ 4.25Å | ||
| 836 | L | 85.4 | Confident | 85.6 | Confident | 119 Ų | 119 | 61 Ų | 61 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | trans | -72.5 | 151.4 | 174.4 | -62.6 | 168.9 | 0 | 0 | 0 | 110.2 | C834 R838 D839 I840 | C834-L836 PolarHBondContact O-N 3.22Å; L836-R838 PolarHBondContact O-N 3.09Å; L836-R838 VanDerWaalsContact O-N 3.08Å; L836-D839 WeakPolarHBondContact CB-OD2 3.42Å; L836-D839 PolarHBondContact O-N 3.2Å; L836-I840 PolarHBondContact O-N 3.26Å; L836-I840 VanDerWaalsContact O-N 3.12Å | ||
| 837 | A | 86.5 | Confident | 85.6 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.4 | -32.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W785 R786 L789 V841 | W785-A837 HydrophobicContact CB-CB 4.07Å; R786-A837 HydrophobicContact CG-CB 3.94Å; L789-A837 HydrophobicContact CD1-CB 4.13Å; L789-A837 HydrophobicContact CD2-CB 4.15Å; L789-A837 HydrophobicContact CG-CB 4.28Å; A837-V841 WeakPolarHBondContact O-CB 3.2Å; A837-V841 WeakPolarHBondContact O-CG2 3.35Å; A837-V841 PolarHBondContact O-N 3.45Å |
| 838 | R | 88.9 | Confident | 85.3 | Confident | 139 Ų | 139 | 63 Ų | 63 | 53% | 0.525 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 174.4 | -179.9 | 179.8 | 179 | -170.4 | -0.9 | 111.7 | W785 L836 I840 V841 E842 | W785-R838 HydrophobicContact CB-CB 4.34Å; W785-R838 HydrophobicContact CD2-CB 3.84Å; W785-R838 HydrophobicContact CD2-CG 3.86Å; W785-R838 HydrophobicContact CE3-CB 4.28Å; W785-R838 HydrophobicContact CE3-CG 4.16Å; W785-R838 HydrophobicContact CG-CB 3.84Å; W785-R838 HydrophobicContact CG-CG 4.34Å; W785-R838 HydrophobicContact CH2-CG 4.32Å; W785-R838 HydrophobicContact CZ2-CG 4.05Å; W785-R838 HydrophobicContact CZ3-CG 4.37Å; L836-R838 PolarHBondContact O-N 3.09Å; L836-R838 VanDerWaalsContact O-N 3.08Å; R838-I840 VanDerWaalsContact C-N 3.32Å; R838-I840 PolarHBondContact O-N 2.96Å; R838-V841 PolarHBondContact O-N 2.83Å; R838-E842 WeakPolarHBondContact O-CB 3.03Å; R838-E842 WeakPolarHBondContact O-CG 3.26Å; R838-E842 PolarHBondContact O-N 3.5Å |
| 839 | D | 89.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | -177.4 | -55.5 | -38.9 | 0 | 0 | 0 | 111 | L835 L836 R843 | L835-D839 HydrophobicContact CD2-CB 4.2Å; L836-D839 WeakPolarHBondContact CB-OD2 3.42Å; L836-D839 PolarHBondContact O-N 3.2Å; D839-R843 WeakPolarHBondContact O-CB 3.38Å; D839-R843 VanDerWaalsContact O-CG 3.23Å; D839-R843 WeakPolarHBondContact O-CG 3.33Å; D839-R843 PolarHBondContact O-N 2.77Å |
| 840 | I | 90.3 | Very high | 84.7 | Confident | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -52.8 | 174.1 | -64 | 173.5 | 0 | 0 | 0 | 110.3 | L789 F828 L835 L836 R838 E842 R843 V844 F852 | L789-I840 HydrophobicContact CD2-CB 4Å; L789-I840 HydrophobicContact CD2-CD1 4.36Å; L789-I840 HydrophobicContact CD2-CG2 3.69Å; F828-I840 HydrophobicContact CB-CG2 4.38Å; F828-I840 HydrophobicContact CD1-CG2 3.48Å; F828-I840 VanDerWaalsContact CD1-CG2 3.48Å; F828-I840 HydrophobicContact CD2-CG2 4.27Å; F828-I840 HydrophobicContact CE1-CG2 3.74Å; F828-I840 HydrophobicContact CE2-CG2 4.47Å; F828-I840 HydrophobicContact CG-CG2 3.79Å; F828-I840 HydrophobicContact CZ-CG2 4.24Å; L835-I840 HydrophobicContact CB-CD1 4.18Å; L835-I840 HydrophobicContact CB-CG1 3.99Å; L836-I840 PolarHBondContact O-N 3.26Å; L836-I840 VanDerWaalsContact O-N 3.12Å; R838-I840 VanDerWaalsContact C-N 3.32Å; R838-I840 PolarHBondContact O-N 2.96Å; I840-E842 VanDerWaalsContact C-N 3.32Å; I840-E842 PolarHBondContact O-N 2.98Å; I840-R843 PolarHBondContact O-N 2.93Å; I840-V844 WeakPolarHBondContact O-CG2 3.45Å; I840-V844 PolarHBondContact O-N 3.1Å; I840-F852 HydrophobicContact CG2-CE1 4.18Å |
| 841 | V | 90.6 | Very high | 84.8 | Confident | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.03 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | -178.7 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | W785 K788 L789 L796 A837 R838 V844 R845 | W785-V841 HydrophobicContact CE3-CB 4.05Å; W785-V841 HydrophobicContact CE3-CG1 3.96Å; W785-V841 HydrophobicContact CZ3-CB 4.32Å; W785-V841 HydrophobicContact CZ3-CG1 3.87Å; K788-V841 HydrophobicContact CB-CG1 4.19Å; K788-V841 HydrophobicContact CB-CG2 3.9Å; L789-V841 HydrophobicContact CD2-CG2 4.04Å; L796-V841 HydrophobicContact CD1-CG1 3.99Å; L796-V841 HydrophobicContact CD2-CG1 3.9Å; A837-V841 WeakPolarHBondContact O-CB 3.2Å; A837-V841 WeakPolarHBondContact O-CG2 3.35Å; A837-V841 PolarHBondContact O-N 3.45Å; R838-V841 PolarHBondContact O-N 2.83Å; V841-V844 PolarHBondContact O-N 2.92Å; V841-R845 VanDerWaalsContact O-CB 3.28Å; V841-R845 WeakPolarHBondContact O-CB 3.27Å; V841-R845 PolarHBondContact O-N 3.4Å |
| 842 | E | 90.3 | Very high | 85.5 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 176.5 | -77.4 | -65.4 | 168.1 | 0 | 0 | 112.5 | R838 I840 V844 R845 L846 | R838-E842 WeakPolarHBondContact O-CB 3.03Å; R838-E842 WeakPolarHBondContact O-CG 3.26Å; R838-E842 PolarHBondContact O-N 3.5Å; I840-E842 VanDerWaalsContact C-N 3.32Å; I840-E842 PolarHBondContact O-N 2.98Å; E842-V844 VanDerWaalsContact C-N 3.32Å; E842-V844 PolarHBondContact O-N 3.5Å; E842-R845 VanDerWaalsContact CD-NH2 3.26Å; E842-R845 WeakPolarHBondContact O-CB 3.41Å; E842-R845 PolarHBondContact O-N 3.46Å; E842-R845 IonicContact OE1-CZ 3.64Å; E842-R845 IonicContact OE1-NE 3.68Å; E842-R845 IonicContact OE1-NH2 3.86Å; E842-R845 PolarHBondContact OE1-NH2 2.95Å; E842-R845 IonicContact OE2-CZ 3.49Å; E842-R845 IonicContact OE2-NE 3.84Å; E842-R845 PolarHBondContact OE2-NE 3.47Å; E842-R845 IonicContact OE2-NH2 2.85Å; E842-R845 PolarHBondContact OE2-NH2 3.37Å; E842-L846 WeakPolarHBondContact O-CB 3.48Å; E842-L846 VanDerWaalsContact O-CG 3.3Å; E842-L846 WeakPolarHBondContact O-CG 3.27Å; E842-L846 PolarHBondContact O-N 2.69Å |
| 843 | R | 91.5 | Very high | 86.1 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 35% | 0.347 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.8 | -72.4 | 174.3 | -172 | -168.2 | 2 | 112.3 | L835 D839 I840 G847 M848 F852 | L835-R843 VanDerWaalsContact CD2-NH2 3.33Å; D839-R843 WeakPolarHBondContact O-CB 3.38Å; D839-R843 VanDerWaalsContact O-CG 3.23Å; D839-R843 WeakPolarHBondContact O-CG 3.33Å; D839-R843 PolarHBondContact O-N 2.77Å; I840-R843 PolarHBondContact O-N 2.93Å; R843-G847 PolarHBondContact O-N 3.13Å; R843-M848 HydrophobicContact CB-SD 4.05Å; R843-M848 HydrophobicContact CG-SD 3.91Å; R843-F852 HydrophobicContact CB-CB 4.29Å; R843-F852 HydrophobicContact CB-CD1 3.59Å; R843-F852 HydrophobicContact CB-CE1 4.06Å; R843-F852 HydrophobicContact CB-CG 3.98Å |
| 844 | V | 91.7 | Very high | 87.1 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | P793 L796 R797 F828 I840 V841 E842 L846 G847 F852 | P793-V844 HydrophobicContact CB-CG1 4.12Å; P793-V844 HydrophobicContact CG-CG1 3.76Å; L796-V844 HydrophobicContact CD1-CG1 4.13Å; R797-V844 PolarHBondContact NH2-O 3.03Å; R797-V844 VanDerWaalsContact NH2-O 3.09Å; F828-V844 HydrophobicContact CE1-CG2 4.36Å; F828-V844 HydrophobicContact CE2-CG2 3.96Å; F828-V844 HydrophobicContact CZ-CG2 3.53Å; I840-V844 WeakPolarHBondContact O-CG2 3.45Å; I840-V844 PolarHBondContact O-N 3.1Å; V841-V844 PolarHBondContact O-N 2.92Å; E842-V844 VanDerWaalsContact C-N 3.32Å; E842-V844 PolarHBondContact O-N 3.5Å; V844-L846 VanDerWaalsContact C-N 3.35Å; V844-L846 PolarHBondContact O-N 2.96Å; V844-G847 PolarHBondContact O-N 3.26Å; V844-F852 HydrophobicContact CG2-CD1 4.06Å |
| 845 | R | 91 | Very high | 87.9 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 178.1 | -173.1 | 177.5 | 74.7 | 147.7 | 2 | 111.9 | L796 R797 V841 E842 G847 | L796-R845 HydrophobicContact CB-CB 4.26Å; L796-R845 HydrophobicContact CB-CG 4.18Å; L796-R845 WeakPolarHBondContact O-CD 3.46Å; R797-R845 HydrophobicContact CG-CG 4.12Å; R797-R845 WeakPolarHBondContact CG-O 3.48Å; R797-R845 PolarHBondContact NE-O 3.43Å; R797-R845 PolarHBondContact NH2-O 3.36Å; V841-R845 VanDerWaalsContact O-CB 3.28Å; V841-R845 WeakPolarHBondContact O-CB 3.27Å; V841-R845 PolarHBondContact O-N 3.4Å; E842-R845 VanDerWaalsContact CD-NH2 3.26Å; E842-R845 WeakPolarHBondContact O-CB 3.41Å; E842-R845 PolarHBondContact O-N 3.46Å; E842-R845 IonicContact OE1-CZ 3.64Å; E842-R845 IonicContact OE1-NE 3.68Å; E842-R845 IonicContact OE1-NH2 3.86Å; E842-R845 PolarHBondContact OE1-NH2 2.95Å; E842-R845 IonicContact OE2-CZ 3.49Å; E842-R845 IonicContact OE2-NE 3.84Å; E842-R845 PolarHBondContact OE2-NE 3.47Å; E842-R845 IonicContact OE2-NH2 2.85Å; E842-R845 PolarHBondContact OE2-NH2 3.37Å; R845-G847 VanDerWaalsContact C-N 3.27Å; R845-G847 PolarHBondContact O-N 3.38Å |
| 846 | L | 90.1 | Very high | 88.1 | Confident | 126 Ų | 126 | 67.8 Ų | 67.8 | 66% | 0.66 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.8 | -20.7 | -179.7 | -71.8 | 169.8 | 0 | 0 | 0 | 113.8 | E842 V844 | E842-L846 WeakPolarHBondContact O-CB 3.48Å; E842-L846 VanDerWaalsContact O-CG 3.3Å; E842-L846 WeakPolarHBondContact O-CG 3.27Å; E842-L846 PolarHBondContact O-N 2.69Å; V844-L846 VanDerWaalsContact C-N 3.35Å; V844-L846 PolarHBondContact O-N 2.96Å |
| 847 | G | 83.6 | Confident | 87.9 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R797 R843 V844 R845 | R797-G847 VanDerWaalsContact NH2-CA 3.26Å; R843-G847 PolarHBondContact O-N 3.13Å; V844-G847 PolarHBondContact O-N 3.26Å; R845-G847 VanDerWaalsContact C-N 3.27Å; R845-G847 PolarHBondContact O-N 3.38Å |
| 848 | M | 81.9 | Confident | 87.1 | Confident | 86 Ų | 86 | 73 Ų | 73 | 42% | 0.424 | 37% | 0.366 | S | S | . | . | trans | -52.1 | 157.7 | -179.6 | -67.3 | 179.8 | 54.4 | 0 | 0 | 113.4 | R843 P850 V851 | R843-M848 HydrophobicContact CB-SD 4.05Å; R843-M848 HydrophobicContact CG-SD 3.91Å; M848-P850 CarbonylContact C-O 3.48Å; M848-P850 CarbonylContact O-C 3.55Å; M848-P850 VanDerWaalsContact O-O 3.12Å; M848-V851 WeakPolarHBondContact O-CA 3.35Å; M848-V851 PolarHBondContact O-N 3.49Å; M848-V851 VanDerWaalsContact O-N 3.15Å | ||
| 849 | Q | 79.8 | Confident | 86.1 | Confident | 186 Ų | 186 | 69 Ų | 69 | 87% | 0.869 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -113.3 | 115.7 | 168.7 | -83.2 | -103.4 | -6.6 | 0 | 0 | 108.2 | ||
| 850 | P | 84 | Confident | 85.3 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 75% | 0.747 | 38% | 0.379 | S | S | * | . | S | Bend | cis | -67.9 | 155 | -3.5 | 31 | -35.7 | 0 | 0 | 0 | 112.2 | M848 F852 | M848-P850 CarbonylContact C-O 3.48Å; M848-P850 CarbonylContact O-C 3.55Å; M848-P850 VanDerWaalsContact O-O 3.12Å; P850-F852 PolarHBondContact O-N 3.2Å |
| 851 | V | 87.5 | Confident | 84.5 | Confident | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.345 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 121.6 | -176.3 | 179 | 0 | 0 | 0 | 0 | 110.5 | M848 R853 E875 | M848-V851 WeakPolarHBondContact O-CA 3.35Å; M848-V851 PolarHBondContact O-N 3.49Å; M848-V851 VanDerWaalsContact O-N 3.15Å; V851-R853 HydrophobicContact CG1-CG 4.2Å; V851-R853 PolarHBondContact O-N 3.15Å; V851-E875 HydrophobicContact CG1-CB 4.2Å; V851-E875 HydrophobicContact CG1-CG 4.4Å; V851-E875 VanDerWaalsContact CG1-OE2 3.27Å; V851-E875 WeakPolarHBondContact CG1-OE2 3.45Å; V851-E875 HydrophobicContact CG2-CB 4.21Å; V851-E875 HydrophobicContact CG2-CG 4.24Å |
| 852 | F | 91.5 | Very high | 83.9 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 17% | 0.167 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 118.9 | -178.3 | -168.3 | -113.3 | 0 | 0 | 0 | 111.1 | F828 T830 L835 I840 R843 V844 P850 | F828-F852 HydrophobicContact CE1-CD1 4.11Å; F828-F852 AromaticContact CE1-CE1 3.92Å; F828-F852 HydrophobicContact CE1-CE1 3.92Å; F828-F852 HydrophobicContact CZ-CD1 4.48Å; T830-F852 HydrophobicContact CG2-CE1 4.15Å; T830-F852 HydrophobicContact CG2-CE2 4.37Å; T830-F852 HydrophobicContact CG2-CZ 3.57Å; L835-F852 HydrophobicContact CD1-CZ 4.25Å; I840-F852 HydrophobicContact CG2-CE1 4.18Å; R843-F852 HydrophobicContact CB-CB 4.29Å; R843-F852 HydrophobicContact CB-CD1 3.59Å; R843-F852 HydrophobicContact CB-CE1 4.06Å; R843-F852 HydrophobicContact CB-CG 3.98Å; V844-F852 HydrophobicContact CG2-CD1 4.06Å; P850-F852 PolarHBondContact O-N 3.2Å |
| 853 | R | 90.4 | Very high | 83.5 | Confident | 37 Ų | 37 | 81.2 Ų | 81.2 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | trans | -142.2 | 163.1 | -176.8 | -70.6 | -59.5 | -177.7 | -90 | -2.8 | 111.1 | V851 W873 E875 | V851-R853 HydrophobicContact CG1-CG 4.2Å; V851-R853 PolarHBondContact O-N 3.15Å; R853-W873 PolarHBondContact NE-O 2.84Å; R853-W873 PolarHBondContact NH2-O 2.95Å; R853-E875 IonicContact CZ-OE2 2.7Å; R853-E875 IonicContact NH1-OE2 2.91Å; R853-E875 PolarHBondContact NH1-OE2 3.18Å; R853-E875 VanDerWaalsContact NH2-CA 3.32Å; R853-E875 IonicContact NH2-OE2 3.15Å; R853-E875 PolarHBondContact NH2-OE2 3.05Å | ||
| 854 | P | 90 | Very high | 83.3 | Confident | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.039 | 42% | 0.423 | C | S | . | . | trans | -59.1 | 147.3 | 176.7 | -21.1 | 33 | 0 | 0 | 0 | 112 | I816 H819 F828 V856 W873 | I816-P854 HydrophobicContact CD1-CG 3.72Å; H819-P854 VanDerWaalsContact CE1-CB 3.47Å; H819-P854 WeakPolarHBondContact CE1-CB 3.27Å; H819-P854 WeakPolarHBondContact NE2-CB 3.34Å; F828-P854 HydrophobicContact CD1-CB 4.4Å; F828-P854 HydrophobicContact CD1-CG 3.9Å; F828-P854 HydrophobicContact CD2-CG 3.88Å; F828-P854 HydrophobicContact CE1-CG 3.94Å; F828-P854 HydrophobicContact CE2-CG 3.93Å; F828-P854 HydrophobicContact CG-CG 3.86Å; F828-P854 HydrophobicContact CZ-CG 3.96Å; P854-V856 PolarHBondContact O-N 3.31Å; P854-W873 HydrophobicContact CB-CH2 4.25Å; P854-W873 HydrophobicContact CB-CZ3 4.32Å; P854-W873 HydrophobicContact CG-CE3 4.33Å; P854-W873 HydrophobicContact CG-CH2 4.21Å; P854-W873 HydrophobicContact CG-CZ3 3.87Å | ||
| 855 | L | 89 | Confident | 83.1 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 40% | 0.398 | 42% | 0.422 | S | S | . | . | trans | -68.6 | 123.3 | 179 | -177.8 | 67.4 | 0 | 0 | 0 | 110 | H819 Y829 M857 | H819-L855 PolarHBondContact NE2-O 3.08Å; Y829-L855 HydrophobicContact CE1-CD2 4.25Å; Y829-L855 PolarHBondContact O-N 3.43Å; L855-M857 HydrophobicContact CD2-CG 4.47Å | ||
| 856 | V | 86.1 | Confident | 83 | Confident | 59 Ų | 59 | 75.6 Ų | 75.6 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | trans | -95.9 | 112.3 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | F823 P854 L866 M869 T870 W873 | F823-V856 HydrophobicContact CZ-CG1 3.96Å; P854-V856 PolarHBondContact O-N 3.31Å; V856-L866 HydrophobicContact CG1-CD2 4.14Å; V856-M869 HydrophobicContact CG1-CE 4.14Å; V856-M869 HydrophobicContact CG2-CE 3.79Å; V856-T870 HydrophobicContact CG2-CG2 4.5Å; V856-W873 HydrophobicContact CG2-CH2 4.19Å; V856-W873 HydrophobicContact CG2-CZ2 3.9Å | ||
| 857 | M | 80.9 | Confident | 83.1 | Confident | 72 Ų | 72 | 73.6 Ų | 73.6 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | trans | -86.8 | 141.9 | -179.8 | -53.7 | -179.7 | 89.4 | 0 | 0 | 110.5 | F823 Y829 L855 T859 | F823-M857 HydrophobicContact CD1-CB 4.18Å; F823-M857 HydrophobicContact CD1-CG 4.36Å; F823-M857 HydrophobicContact CE1-CB 3.92Å; F823-M857 HydrophobicContact CE1-CG 4.47Å; Y829-M857 HydrophobicContact CE1-SD 4.33Å; L855-M857 HydrophobicContact CD2-CG 4.47Å; M857-T859 HydrophobicContact CB-CG2 4.29Å; M857-T859 PolarHBondContact O-N 3.26Å; M857-T859 VanDerWaalsContact O-N 3.1Å; M857-T859 PolarHBondContact O-OG1 3.19Å | ||
| 858 | D | 70.4 | Confident | 83.5 | Confident | 177 Ų | 177 | 72.4 Ų | 72.4 | 95% | 0.947 | 39% | 0.386 | S | S | * | . | trans | -61 | 114.3 | 171.5 | -82.5 | -26.6 | 0 | 0 | 0 | 109.7 | ||||
| 859 | T | 68.7 | Low | 84 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | trans | -145.7 | 156.7 | -171.3 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | F823 M857 F861 | F823-T859 HydrophobicContact CD1-CG2 4.35Å; F823-T859 HydrophobicContact CE1-CG2 4Å; M857-T859 HydrophobicContact CB-CG2 4.29Å; M857-T859 PolarHBondContact O-N 3.26Å; M857-T859 VanDerWaalsContact O-N 3.1Å; M857-T859 PolarHBondContact O-OG1 3.19Å; T859-F861 HydrophobicContact CG2-CD2 4.43Å; T859-F861 HydrophobicContact CG2-CE2 4.23Å; T859-F861 PolarHBondContact O-N 3.07Å; T859-F861 WeakPolarHBondContact OG1-CD2 3.33Å | ||
| 860 | N | 71 | Confident | 84.6 | Confident | 151 Ų | 151 | 62.1 Ų | 62.1 | 81% | 0.807 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -71 | 31.1 | 178.2 | -72.5 | -14.1 | 0 | 0 | 0 | 114 | K718 | K718-N860 WeakPolarHBondContact CE-O 3.48Å; K718-N860 PolarHBondContact NZ-O 3.4Å |
| 861 | F | 74.7 | Confident | 85.1 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -87.7 | 152.7 | 172.9 | -64.3 | -60.2 | 0 | 0 | 0 | 110.8 | R721 L822 T859 N863 I865 L866 | R721-F861 VanDerWaalsContact NH1-CZ 3.29Å; L822-F861 HydrophobicContact CB-CD2 4.34Å; L822-F861 HydrophobicContact CB-CE2 4.12Å; L822-F861 HydrophobicContact CB-CZ 4.48Å; L822-F861 HydrophobicContact CD2-CD1 3.91Å; L822-F861 HydrophobicContact CD2-CD2 4.31Å; L822-F861 HydrophobicContact CD2-CE1 4.07Å; L822-F861 HydrophobicContact CD2-CE2 4.48Å; L822-F861 HydrophobicContact CD2-CG 4.08Å; L822-F861 HydrophobicContact CD2-CZ 4.39Å; L822-F861 WeakPolarHBondContact O-CE2 3.26Å; L822-F861 WeakPolarHBondContact O-CZ 3.44Å; T859-F861 HydrophobicContact CG2-CD2 4.43Å; T859-F861 HydrophobicContact CG2-CE2 4.23Å; T859-F861 PolarHBondContact O-N 3.07Å; T859-F861 WeakPolarHBondContact OG1-CD2 3.33Å; F861-N863 PolarHBondContact O-N 2.61Å; F861-I865 HydrophobicContact CB-CG2 4.28Å; F861-L866 HydrophobicContact CB-CD1 4.48Å; F861-L866 HydrophobicContact CB-CG 4.41Å |
| 862 | D | 77.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | trans | -67.5 | 130.8 | -177.9 | -55.3 | -53.8 | 0 | 0 | 0 | 110 | Y722 V864 I865 L866 L893 | Y722-D862 PolarHBondContact OH-OD2 3.14Å; D862-V864 PolarHBondContact O-N 3.28Å; D862-I865 HydrophobicContact CB-CG2 4.49Å; D862-I865 WeakPolarHBondContact O-CG2 3.39Å; D862-I865 PolarHBondContact O-N 3.12Å; D862-L866 PolarHBondContact O-N 3Å; D862-L893 HydrophobicContact CB-CD2 3.8Å | ||
| 863 | N | 82.7 | Confident | 85.5 | Confident | 136 Ų | 136 | 56.8 Ų | 56.8 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -54.9 | -26.2 | -178.5 | -76.8 | -35 | 0 | 0 | 0 | 113.1 | F861 N867 | F861-N863 PolarHBondContact O-N 2.61Å; N863-N867 VanDerWaalsContact O-CB 3.3Å; N863-N867 WeakPolarHBondContact O-CB 3.34Å; N863-N867 PolarHBondContact O-N 3.3Å |
| 864 | V | 86.1 | Confident | 85.7 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | D862 N867 V868 L893 | D862-V864 PolarHBondContact O-N 3.28Å; V864-N867 PolarHBondContact O-N 3.46Å; V864-V868 VanDerWaalsContact O-CG2 3.29Å; V864-V868 WeakPolarHBondContact O-CG2 3.3Å; V864-V868 PolarHBondContact O-N 3.43Å; V864-L893 HydrophobicContact CB-CD1 3.93Å; V864-L893 HydrophobicContact CB-CD2 3.59Å; V864-L893 HydrophobicContact CB-CG 4.01Å; V864-L893 HydrophobicContact CG1-CD1 3.91Å; V864-L893 HydrophobicContact CG1-CD2 4.05Å; V864-L893 HydrophobicContact CG1-CG 3.96Å; V864-L893 HydrophobicContact CG2-CD2 3.91Å |
| 865 | I | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.7 | -35.2 | -179.1 | -171.1 | 160 | 0 | 0 | 0 | 111.7 | Y722 I725 L822 F861 D862 N867 V868 M869 L893 | Y722-I865 HydrophobicContact CD1-CD1 4.1Å; Y722-I865 HydrophobicContact CE1-CB 4.46Å; Y722-I865 HydrophobicContact CE1-CD1 3.51Å; I725-I865 HydrophobicContact CD1-CD1 3.59Å; L822-I865 HydrophobicContact CD1-CG1 4.27Å; L822-I865 HydrophobicContact CD2-CD1 4.13Å; F861-I865 HydrophobicContact CB-CG2 4.28Å; D862-I865 HydrophobicContact CB-CG2 4.49Å; D862-I865 WeakPolarHBondContact O-CG2 3.39Å; D862-I865 PolarHBondContact O-N 3.12Å; I865-N867 VanDerWaalsContact C-N 3.34Å; I865-V868 PolarHBondContact O-N 3.26Å; I865-M869 WeakPolarHBondContact O-CB 3.28Å; I865-M869 PolarHBondContact O-N 3.14Å; I865-L893 HydrophobicContact CB-CD1 3.83Å |
| 866 | L | 89.5 | Confident | 85.9 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 174.1 | -66.1 | 175.1 | 0 | 0 | 0 | 111.4 | L822 F823 V856 F861 D862 M869 T870 | L822-L866 HydrophobicContact CD1-CD2 4.22Å; F823-L866 HydrophobicContact CZ-CD2 4.19Å; V856-L866 HydrophobicContact CG1-CD2 4.14Å; F861-L866 HydrophobicContact CB-CD1 4.48Å; F861-L866 HydrophobicContact CB-CG 4.41Å; D862-L866 PolarHBondContact O-N 3Å; L866-M869 HydrophobicContact CD2-CE 3.81Å; L866-M869 PolarHBondContact O-N 2.9Å; L866-T870 WeakPolarHBondContact O-CB 3.39Å; L866-T870 WeakPolarHBondContact O-CG2 3.48Å; L866-T870 PolarHBondContact O-N 2.96Å; L866-T870 PolarHBondContact O-OG1 2.99Å |
| 867 | N | 90.8 | Very high | 86.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174 | -169.1 | -6.3 | 0 | 0 | 0 | 111.7 | N863 V864 I865 M869 T870 R871 | N863-N867 VanDerWaalsContact O-CB 3.3Å; N863-N867 WeakPolarHBondContact O-CB 3.34Å; N863-N867 PolarHBondContact O-N 3.3Å; V864-N867 PolarHBondContact O-N 3.46Å; I865-N867 VanDerWaalsContact C-N 3.34Å; N867-M869 PolarHBondContact O-N 2.87Å; N867-T870 WeakPolarHBondContact CA-OG1 2.98Å; N867-T870 PolarHBondContact O-N 3.41Å; N867-T870 PolarHBondContact O-OG1 2.94Å; N867-T870 VanDerWaalsContact O-OG1 3.05Å; N867-R871 WeakPolarHBondContact O-CB 3.25Å; N867-R871 VanDerWaalsContact O-CG 3.27Å; N867-R871 WeakPolarHBondContact O-CG 3.36Å; N867-R871 PolarHBondContact O-N 3.49Å; N867-R871 WeakPolarHBondContact OD1-CD 3.4Å; N867-R871 WeakPolarHBondContact OD1-CG 3.12Å |
| 868 | V | 91.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 174.2 | 172 | 0 | 0 | 0 | 0 | 110.8 | L818 V864 I865 T870 R871 C872 V886 Q889 V890 | L818-V868 HydrophobicContact CD1-CG1 4.26Å; V864-V868 VanDerWaalsContact O-CG2 3.29Å; V864-V868 WeakPolarHBondContact O-CG2 3.3Å; V864-V868 PolarHBondContact O-N 3.43Å; I865-V868 PolarHBondContact O-N 3.26Å; V868-T870 PolarHBondContact O-N 3.41Å; V868-R871 PolarHBondContact O-N 3.46Å; V868-C872 WeakPolarHBondContact O-CB 3.48Å; V868-C872 PolarHBondContact O-N 3.1Å; V868-C872 PolarHBondContact O-SG 3.5Å; V868-V886 HydrophobicContact CG1-CG1 3.97Å; V868-V886 HydrophobicContact CG1-CG2 4.42Å; V868-Q889 HydrophobicContact CG2-CB 3.68Å; V868-Q889 HydrophobicContact CG2-CG 4.48Å; V868-V890 HydrophobicContact CG1-CG2 4.39Å |
| 869 | M | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58 | -49.3 | 178.6 | 179 | -174.6 | 69 | 0 | 0 | 111.5 | L818 H819 L822 F823 V856 I865 L866 N867 R871 C872 W873 | L818-M869 HydrophobicContact CB-CB 4.27Å; L818-M869 HydrophobicContact CB-CG 4.01Å; L818-M869 HydrophobicContact CB-SD 4.47Å; L818-M869 HydrophobicContact CD1-CB 4.12Å; H819-M869 HydrophobicContact CB-SD 3.7Å; L822-M869 HydrophobicContact CD1-SD 3.87Å; F823-M869 HydrophobicContact CE2-CE 4.08Å; F823-M869 HydrophobicContact CE2-SD 4.24Å; V856-M869 HydrophobicContact CG1-CE 4.14Å; V856-M869 HydrophobicContact CG2-CE 3.79Å; I865-M869 WeakPolarHBondContact O-CB 3.28Å; I865-M869 PolarHBondContact O-N 3.14Å; L866-M869 HydrophobicContact CD2-CE 3.81Å; L866-M869 PolarHBondContact O-N 2.9Å; N867-M869 PolarHBondContact O-N 2.87Å; M869-R871 PolarHBondContact O-N 3.04Å; M869-C872 WeakPolarHBondContact O-CB 3.47Å; M869-C872 PolarHBondContact O-N 3.17Å; M869-W873 HydrophobicContact CE-CH2 3.62Å; M869-W873 HydrophobicContact CE-CZ2 3.94Å; M869-W873 HydrophobicContact CG-CE3 4.15Å; M869-W873 HydrophobicContact CG-CH2 3.6Å; M869-W873 HydrophobicContact CG-CZ2 4.11Å; M869-W873 HydrophobicContact CG-CZ3 3.64Å; M869-W873 PolarHBondContact O-N 3.11Å; M869-W873 HydrophobicContact SD-CH2 3.61Å; M869-W873 HydrophobicContact SD-CZ2 4.4Å; M869-W873 HydrophobicContact SD-CZ3 3.98Å |
| 870 | T | 92.5 | Very high | 89.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | -178.1 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | V856 L866 N867 V868 W873 | V856-T870 HydrophobicContact CG2-CG2 4.5Å; L866-T870 WeakPolarHBondContact O-CB 3.39Å; L866-T870 WeakPolarHBondContact O-CG2 3.48Å; L866-T870 PolarHBondContact O-N 2.96Å; L866-T870 PolarHBondContact O-OG1 2.99Å; N867-T870 WeakPolarHBondContact CA-OG1 2.98Å; N867-T870 PolarHBondContact O-N 3.41Å; N867-T870 PolarHBondContact O-OG1 2.94Å; N867-T870 VanDerWaalsContact O-OG1 3.05Å; V868-T870 PolarHBondContact O-N 3.41Å; T870-W873 HydrophobicContact CG2-CZ2 3.95Å; T870-W873 PolarHBondContact O-NE1 3.29Å |
| 871 | R | 94.1 | Very high | 90.2 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.5 | -33.9 | 173.3 | -70.1 | -179.6 | 62.9 | -171.8 | -3.7 | 113 | N867 V868 M869 W873 S874 P881 | N867-R871 WeakPolarHBondContact O-CB 3.25Å; N867-R871 VanDerWaalsContact O-CG 3.27Å; N867-R871 WeakPolarHBondContact O-CG 3.36Å; N867-R871 PolarHBondContact O-N 3.49Å; N867-R871 WeakPolarHBondContact OD1-CD 3.4Å; N867-R871 WeakPolarHBondContact OD1-CG 3.12Å; V868-R871 PolarHBondContact O-N 3.46Å; M869-R871 PolarHBondContact O-N 3.04Å; R871-W873 PolarHBondContact O-N 2.84Å; R871-S874 PolarHBondContact O-N 2.92Å; R871-P881 HydrophobicContact CB-CG 4.39Å |
| 872 | C | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 178.5 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | V811 Y812 V868 M869 R880 | V811-C872 HydrophobicContact CG1-CB 3.97Å; Y812-C872 WeakPolarHBondContact CA-O 3.42Å; V868-C872 WeakPolarHBondContact O-CB 3.48Å; V868-C872 PolarHBondContact O-N 3.1Å; V868-C872 PolarHBondContact O-SG 3.5Å; M869-C872 WeakPolarHBondContact O-CB 3.47Å; M869-C872 PolarHBondContact O-N 3.17Å; C872-R880 VanDerWaalsContact O-CD 3.25Å; C872-R880 WeakPolarHBondContact O-CD 3.46Å; C872-R880 WeakPolarHBondContact O-CG 3.25Å |
| 873 | W | 93.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 45 Ų | 45 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 23.3 | 177.3 | 63.7 | 40.9 | 0 | 0 | 0 | 114.7 | Y812 G815 I816 H819 R853 P854 V856 M869 T870 R871 | Y812-W873 HydrophobicContact CD2-CB 3.77Å; Y812-W873 HydrophobicContact CE2-CB 3.71Å; G815-W873 WeakPolarHBondContact O-CZ3 3.4Å; I816-W873 HydrophobicContact CD1-CE3 3.87Å; I816-W873 HydrophobicContact CD1-CZ3 4.33Å; H819-W873 HydrophobicContact CB-CH2 3.98Å; H819-W873 HydrophobicContact CB-CZ3 3.6Å; H819-W873 AromaticContact CD2-CH2 3.89Å; R853-W873 PolarHBondContact NE-O 2.84Å; R853-W873 PolarHBondContact NH2-O 2.95Å; P854-W873 HydrophobicContact CB-CH2 4.25Å; P854-W873 HydrophobicContact CB-CZ3 4.32Å; P854-W873 HydrophobicContact CG-CE3 4.33Å; P854-W873 HydrophobicContact CG-CH2 4.21Å; P854-W873 HydrophobicContact CG-CZ3 3.87Å; V856-W873 HydrophobicContact CG2-CH2 4.19Å; V856-W873 HydrophobicContact CG2-CZ2 3.9Å; M869-W873 HydrophobicContact CE-CH2 3.62Å; M869-W873 HydrophobicContact CE-CZ2 3.94Å; M869-W873 HydrophobicContact CG-CE3 4.15Å; M869-W873 HydrophobicContact CG-CH2 3.6Å; M869-W873 HydrophobicContact CG-CZ2 4.11Å; M869-W873 HydrophobicContact CG-CZ3 3.64Å; M869-W873 PolarHBondContact O-N 3.11Å; M869-W873 HydrophobicContact SD-CH2 3.61Å; M869-W873 HydrophobicContact SD-CZ2 4.4Å; M869-W873 HydrophobicContact SD-CZ3 3.98Å; T870-W873 HydrophobicContact CG2-CZ2 3.95Å; T870-W873 PolarHBondContact O-NE1 3.29Å; R871-W873 PolarHBondContact O-N 2.84Å |
| 874 | S | 93.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | trans | -52.8 | 144.9 | 175 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | R871 R880 | R871-S874 PolarHBondContact O-N 2.92Å; S874-R880 PolarHBondContact O-NE 3.41Å; S874-R880 PolarHBondContact O-NH2 3.28Å; S874-R880 VanDerWaalsContact O-NH2 3.08Å | ||
| 875 | E | 91.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 23% | 0.229 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -60.6 | -46.9 | 179.8 | -173.5 | 57.1 | -150.5 | 0 | 0 | 111.4 | R797 V851 R853 R880 | R797-E875 IonicContact CZ-OE1 3.59Å; R797-E875 IonicContact NH1-OE1 3.37Å; R797-E875 PolarHBondContact NH1-OE1 3.16Å; R797-E875 IonicContact NH2-OE1 2.86Å; R797-E875 PolarHBondContact NH2-OE1 3.24Å; V851-E875 HydrophobicContact CG1-CB 4.2Å; V851-E875 HydrophobicContact CG1-CG 4.4Å; V851-E875 VanDerWaalsContact CG1-OE2 3.27Å; V851-E875 WeakPolarHBondContact CG1-OE2 3.45Å; V851-E875 HydrophobicContact CG2-CB 4.21Å; V851-E875 HydrophobicContact CG2-CG 4.24Å; R853-E875 IonicContact CZ-OE2 2.7Å; R853-E875 IonicContact NH1-OE2 2.91Å; R853-E875 PolarHBondContact NH1-OE2 3.18Å; R853-E875 VanDerWaalsContact NH2-CA 3.32Å; R853-E875 IonicContact NH2-OE2 3.15Å; R853-E875 PolarHBondContact NH2-OE2 3.05Å; E875-R880 PolarHBondContact O-NH2 3.42Å |
| 876 | N | 91.9 | Very high | 93 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -79 | 124.5 | 173.5 | -176 | 2.3 | 0 | 0 | 0 | 110.7 | D878 D879 | N876-D878 PolarHBondContact O-N 2.77Å; N876-D878 PolarHBondContact OD1-N 2.97Å; N876-D879 WeakPolarHBondContact CB-OD2 3.4Å; N876-D879 PolarHBondContact O-N 3.33Å |
| 877 | P | 92.6 | Very high | 93 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.7 | -28.7 | 177.3 | -25.1 | 35.1 | 0 | 0 | 0 | 114.8 | E794 K808 R880 | E794-P877 HydrophobicContact CB-CG 4.16Å; E794-P877 HydrophobicContact CG-CG 3.81Å; K808-P877 HydrophobicContact CB-CB 4.06Å; K808-P877 WeakPolarHBondContact CD-O 3.3Å; K808-P877 HydrophobicContact CG-CB 4.44Å; K808-P877 PolarHBondContact NZ-O 3.13Å; P877-R880 WeakPolarHBondContact O-CB 3.29Å; P877-R880 PolarHBondContact O-N 3Å |
| 878 | D | 93 | Very high | 93 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 68% | 0.679 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -70.5 | -33.2 | -177.6 | -68.9 | -33.4 | 0 | 0 | 0 | 112.3 | K808 N876 R880 | K808-D878 PolarHBondContact NZ-O 3.14Å; N876-D878 PolarHBondContact O-N 2.77Å; N876-D878 PolarHBondContact OD1-N 2.97Å; D878-R880 PolarHBondContact O-N 2.93Å |
| 879 | D | 93.4 | Very high | 92.8 | Very high | 91 Ų | 91 | 56.7 Ų | 56.7 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -72.5 | -16.8 | 179 | -63.7 | -28.8 | 0 | 0 | 0 | 113.2 | N876 | N876-D879 WeakPolarHBondContact CB-OD2 3.4Å; N876-D879 PolarHBondContact O-N 3.33Å |
| 880 | R | 95.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.5 | 127.7 | -179.9 | -57.7 | 177.9 | -167.3 | 151.3 | 11.4 | 110.3 | E794 K808 V811 C872 S874 E875 P877 D878 | E794-R880 VanDerWaalsContact CD-NH1 3.31Å; E794-R880 IonicContact OE1-CZ 3.13Å; E794-R880 IonicContact OE1-NH1 3.04Å; E794-R880 PolarHBondContact OE1-NH1 3.49Å; E794-R880 IonicContact OE1-NH2 3.56Å; E794-R880 IonicContact OE2-CZ 2.86Å; E794-R880 IonicContact OE2-NH1 3.54Å; E794-R880 PolarHBondContact OE2-NH1 2.94Å; E794-R880 VanDerWaalsContact OE2-NH1 3.17Å; E794-R880 IonicContact OE2-NH2 2.91Å; E794-R880 PolarHBondContact OE2-NH2 2.91Å; K808-R880 PolarHBondContact NZ-O 3.08Å; K808-R880 PolarHBondContact O-NH1 3.32Å; V811-R880 HydrophobicContact CG1-CB 3.97Å; C872-R880 VanDerWaalsContact O-CD 3.25Å; C872-R880 WeakPolarHBondContact O-CD 3.46Å; C872-R880 WeakPolarHBondContact O-CG 3.25Å; S874-R880 PolarHBondContact O-NE 3.41Å; S874-R880 PolarHBondContact O-NH2 3.28Å; S874-R880 VanDerWaalsContact O-NH2 3.08Å; E875-R880 PolarHBondContact O-NH2 3.42Å; P877-R880 WeakPolarHBondContact O-CB 3.29Å; P877-R880 PolarHBondContact O-N 3Å; D878-R880 PolarHBondContact O-N 2.93Å |
| 881 | P | 94 | Very high | 91.8 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 146.7 | 178.5 | 28.6 | -35.1 | 0 | 0 | 0 | 110.9 | V811 R871 M885 V886 | V811-P881 VanDerWaalsContact CG1-O 3.3Å; V811-P881 WeakPolarHBondContact CG1-O 3.42Å; R871-P881 HydrophobicContact CB-CG 4.39Å; P881-M885 HydrophobicContact CB-CB 4.08Å; P881-M885 HydrophobicContact CB-CG 4.12Å; P881-M885 HydrophobicContact CB-SD 4.04Å; P881-V886 HydrophobicContact CB-CG2 3.96Å; P881-V886 HydrophobicContact CG-CG2 3.67Å |
| 882 | D | 93.7 | Very high | 91 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 162.8 | 169.1 | 73.7 | 0.3 | 0 | 0 | 0 | 110.8 | R884 M885 V886 | D882-R884 PolarHBondContact O-N 2.93Å; D882-R884 WeakPolarHBondContact OD1-CB 3.48Å; D882-R884 PolarHBondContact OD1-N 3.35Å; D882-M885 PolarHBondContact O-N 3.17Å; D882-M885 VanDerWaalsContact O-N 3.08Å; D882-M885 VanDerWaalsContact OD1-CB 3.29Å; D882-M885 WeakPolarHBondContact OD1-CB 3.33Å; D882-M885 PolarHBondContact OD1-N 3.37Å; D882-V886 WeakPolarHBondContact O-CG2 3.45Å; D882-V886 PolarHBondContact O-N 3.11Å |
| 883 | F | 94.4 | Very high | 90 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -18.8 | 179.3 | -80.5 | -77.9 | 0 | 0 | 0 | 113.3 | I729 M732 L733 H736 D810 V811 F814 R887 | I729-F883 HydrophobicContact CG1-CD1 4.4Å; M732-F883 HydrophobicContact CB-CD1 3.91Å; M732-F883 HydrophobicContact CB-CD2 3.85Å; M732-F883 HydrophobicContact CB-CE1 3.73Å; M732-F883 HydrophobicContact CB-CE2 3.67Å; M732-F883 HydrophobicContact CB-CG 3.97Å; M732-F883 HydrophobicContact CB-CZ 3.61Å; M732-F883 HydrophobicContact CE-CE2 3.95Å; M732-F883 HydrophobicContact CE-CZ 4.3Å; M732-F883 HydrophobicContact CG-CE1 3.95Å; M732-F883 HydrophobicContact CG-CE2 4.03Å; M732-F883 HydrophobicContact CG-CZ 3.62Å; L733-F883 HydrophobicContact CD2-CB 3.67Å; L733-F883 HydrophobicContact CG-CB 3.89Å; H736-F883 AromaticContact CE1-CD2 3.43Å; H736-F883 VanDerWaalsContact CE1-CD2 3.43Å; H736-F883 WeakPolarHBondContact CE1-CD2 3.42Å; H736-F883 AromaticContact CE1-CE2 3.51Å; H736-F883 AromaticContact ND1-CD2 3.55Å; D810-F883 HydrophobicContact CB-CE2 4.3Å; V811-F883 HydrophobicContact CG2-CD2 4Å; V811-F883 HydrophobicContact CG2-CE2 3.78Å; V811-F883 HydrophobicContact CG2-CZ 4.42Å; F814-F883 HydrophobicContact CB-CE1 3.98Å; F814-F883 HydrophobicContact CB-CZ 3.78Å; F814-F883 AromaticContact CD1-CE1 3.88Å; F814-F883 HydrophobicContact CD1-CE1 3.88Å; F814-F883 HydrophobicContact CD1-CZ 4.45Å; F814-F883 AromaticContact CD2-CE1 3.97Å; F814-F883 HydrophobicContact CD2-CE1 3.97Å; F814-F883 HydrophobicContact CD2-CZ 4.5Å; F814-F883 HydrophobicContact CE1-CE1 4.34Å; F814-F883 HydrophobicContact CE2-CE1 4.42Å; F814-F883 AromaticContact CG-CE1 3.66Å; F814-F883 HydrophobicContact CG-CE1 3.66Å; F814-F883 HydrophobicContact CG-CZ 4.01Å; F883-R887 VanDerWaalsContact O-CB 3.29Å; F883-R887 WeakPolarHBondContact O-CB 3.41Å; F883-R887 PolarHBondContact O-N 2.95Å |
| 884 | R | 93.1 | Very high | 88.7 | Confident | 164 Ų | 164 | 56.4 Ų | 56.4 | 62% | 0.619 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -72.1 | -42.8 | 175.6 | -56.5 | 177.8 | -163.2 | -177.9 | 7.3 | 110.5 | L733 D882 K888 | L733-R884 HydrophobicContact CD2-CB 4.46Å; L733-R884 HydrophobicContact CD2-CG 3.7Å; D882-R884 PolarHBondContact O-N 2.93Å; D882-R884 WeakPolarHBondContact OD1-CB 3.48Å; D882-R884 PolarHBondContact OD1-N 3.35Å; R884-K888 PolarHBondContact O-N 3.03Å; R884-K888 VanDerWaalsContact O-N 3.13Å |
| 885 | M | 92.6 | Very high | 87.3 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 38% | 0.384 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 175.2 | -172.8 | 171.2 | -170.4 | 0 | 0 | 111 | P881 D882 R887 K888 Q889 | P881-M885 HydrophobicContact CB-CB 4.08Å; P881-M885 HydrophobicContact CB-CG 4.12Å; P881-M885 HydrophobicContact CB-SD 4.04Å; D882-M885 PolarHBondContact O-N 3.17Å; D882-M885 VanDerWaalsContact O-N 3.08Å; D882-M885 VanDerWaalsContact OD1-CB 3.29Å; D882-M885 WeakPolarHBondContact OD1-CB 3.33Å; D882-M885 PolarHBondContact OD1-N 3.37Å; M885-R887 VanDerWaalsContact C-N 3.33Å; M885-R887 PolarHBondContact O-N 3.26Å; M885-K888 PolarHBondContact O-N 3.39Å; M885-K888 VanDerWaalsContact O-N 3.15Å; M885-Q889 WeakPolarHBondContact O-CG 3.3Å; M885-Q889 PolarHBondContact O-N 3.35Å |
| 886 | V | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -47.7 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | I729 F814 V868 P881 D882 K888 Q889 V890 | I729-V886 HydrophobicContact CD1-CG1 3.83Å; I729-V886 HydrophobicContact CG1-CG1 4.11Å; F814-V886 HydrophobicContact CE1-CG1 3.63Å; F814-V886 HydrophobicContact CZ-CG1 4.22Å; V868-V886 HydrophobicContact CG1-CG1 3.97Å; V868-V886 HydrophobicContact CG1-CG2 4.42Å; P881-V886 HydrophobicContact CB-CG2 3.96Å; P881-V886 HydrophobicContact CG-CG2 3.67Å; D882-V886 WeakPolarHBondContact O-CG2 3.45Å; D882-V886 PolarHBondContact O-N 3.11Å; V886-K888 PolarHBondContact O-N 2.82Å; V886-Q889 PolarHBondContact O-N 3.42Å; V886-V890 HydrophobicContact CG1-CG2 4.18Å; V886-V890 WeakPolarHBondContact O-CG2 3.29Å; V886-V890 PolarHBondContact O-N 3.38Å |
| 887 | R | 91.1 | Very high | 83.7 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.9 | -49.7 | 175.4 | -173.2 | 179 | 61.3 | 179.8 | 2.6 | 111.3 | I729 L733 F883 M885 Q889 V890 T891 | I729-R887 HydrophobicContact CG2-CB 3.7Å; I729-R887 HydrophobicContact CG2-CG 4.14Å; L733-R887 HydrophobicContact CD1-CB 4.26Å; L733-R887 HydrophobicContact CD1-CG 4.47Å; F883-R887 VanDerWaalsContact O-CB 3.29Å; F883-R887 WeakPolarHBondContact O-CB 3.41Å; F883-R887 PolarHBondContact O-N 2.95Å; M885-R887 VanDerWaalsContact C-N 3.33Å; M885-R887 PolarHBondContact O-N 3.26Å; R887-Q889 VanDerWaalsContact C-N 3.3Å; R887-Q889 PolarHBondContact O-N 2.87Å; R887-V890 PolarHBondContact O-N 2.93Å; R887-T891 VanDerWaalsContact O-CB 3.3Å; R887-T891 WeakPolarHBondContact O-CB 3.48Å; R887-T891 PolarHBondContact O-N 3.2Å; R887-T891 PolarHBondContact O-OG1 3.02Å |
| 888 | K | 89.2 | Confident | 81.8 | Confident | 163 Ų | 163 | 71.8 Ų | 71.8 | 71% | 0.709 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.1 | -42.2 | 179.5 | -77 | -176.7 | 177.3 | -176.1 | 0 | 112.5 | R884 M885 V886 S892 | R884-K888 PolarHBondContact O-N 3.03Å; R884-K888 VanDerWaalsContact O-N 3.13Å; M885-K888 PolarHBondContact O-N 3.39Å; M885-K888 VanDerWaalsContact O-N 3.15Å; V886-K888 PolarHBondContact O-N 2.82Å; K888-S892 PolarHBondContact O-N 3.42Å |
| 889 | Q | 87.5 | Confident | 79.7 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.5 | -37 | -179.6 | -69.5 | 177.6 | -36.7 | 0 | 0 | 113 | V868 M885 V886 R887 S892 | V868-Q889 HydrophobicContact CG2-CB 3.68Å; V868-Q889 HydrophobicContact CG2-CG 4.48Å; M885-Q889 WeakPolarHBondContact O-CG 3.3Å; M885-Q889 PolarHBondContact O-N 3.35Å; V886-Q889 PolarHBondContact O-N 3.42Å; R887-Q889 VanDerWaalsContact C-N 3.3Å; R887-Q889 PolarHBondContact O-N 2.87Å; Q889-S892 PolarHBondContact O-OG 3.43Å |
| 890 | V | 85.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.3 | -40.4 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | I725 I729 V868 V886 R887 S892 L893 T894 | I725-V890 HydrophobicContact CG2-CG1 4.17Å; I729-V890 HydrophobicContact CD1-CB 4.1Å; I729-V890 HydrophobicContact CD1-CG1 4.23Å; I729-V890 HydrophobicContact CD1-CG2 3.98Å; V868-V890 HydrophobicContact CG1-CG2 4.39Å; V886-V890 HydrophobicContact CG1-CG2 4.18Å; V886-V890 WeakPolarHBondContact O-CG2 3.29Å; V886-V890 PolarHBondContact O-N 3.38Å; R887-V890 PolarHBondContact O-N 2.93Å; V890-S892 PolarHBondContact O-N 3.37Å; V890-L893 WeakPolarHBondContact O-CB 3.49Å; V890-L893 PolarHBondContact O-N 3.36Å; V890-T894 PolarHBondContact O-N 3.22Å; V890-T894 PolarHBondContact O-OG1 2.96Å; V890-T894 VanDerWaalsContact O-OG1 3.08Å |
| 891 | T | 80.7 | Confident | 75.4 | Confident | 31 Ų | 31 | 74 Ų | 74 | 19% | 0.19 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -29.8 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | R887 L893 T894 R895 | R887-T891 VanDerWaalsContact O-CB 3.3Å; R887-T891 WeakPolarHBondContact O-CB 3.48Å; R887-T891 PolarHBondContact O-N 3.2Å; R887-T891 PolarHBondContact O-OG1 3.02Å; T891-L893 PolarHBondContact O-N 2.94Å; T891-T894 PolarHBondContact O-N 3.14Å; T891-T894 VanDerWaalsContact O-N 3.13Å; T891-R895 PolarHBondContact O-N 2.97Å |
| 892 | S | 76.9 | Confident | 73.5 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -26.6 | 173.3 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | K888 Q889 V890 | K888-S892 PolarHBondContact O-N 3.42Å; Q889-S892 PolarHBondContact O-OG 3.43Å; V890-S892 PolarHBondContact O-N 3.37Å |
| 893 | L | 73 | Confident | 71.7 | Confident | 24 Ų | 24 | 80.7 Ų | 80.7 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -78.6 | -31.8 | 172.2 | -61.3 | 168.4 | 0 | 0 | 0 | 111.3 | Y722 D862 V864 I865 V890 T891 | Y722-L893 HydrophobicContact CE1-CD1 4.11Å; D862-L893 HydrophobicContact CB-CD2 3.8Å; V864-L893 HydrophobicContact CB-CD1 3.93Å; V864-L893 HydrophobicContact CB-CD2 3.59Å; V864-L893 HydrophobicContact CB-CG 4.01Å; V864-L893 HydrophobicContact CG1-CD1 3.91Å; V864-L893 HydrophobicContact CG1-CD2 4.05Å; V864-L893 HydrophobicContact CG1-CG 3.96Å; V864-L893 HydrophobicContact CG2-CD2 3.91Å; I865-L893 HydrophobicContact CB-CD1 3.83Å; V890-L893 WeakPolarHBondContact O-CB 3.49Å; V890-L893 PolarHBondContact O-N 3.36Å; T891-L893 PolarHBondContact O-N 2.94Å |
| 894 | T | 67.5 | Low | 69.9 | Low | 22 Ų | 22 | 84.4 Ų | 84.4 | 14% | 0.135 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -80.8 | -12.6 | -178.5 | -29.3 | 0 | 0 | 0 | 0 | 113.5 | V890 T891 E896 F897 E898 | V890-T894 PolarHBondContact O-N 3.22Å; V890-T894 PolarHBondContact O-OG1 2.96Å; V890-T894 VanDerWaalsContact O-OG1 3.08Å; T891-T894 PolarHBondContact O-N 3.14Å; T891-T894 VanDerWaalsContact O-N 3.13Å; T894-E896 PolarHBondContact O-N 2.93Å; T894-E896 VanDerWaalsContact O-N 3.15Å; T894-F897 HydrophobicContact CG2-CB 3.99Å; T894-F897 HydrophobicContact CG2-CD2 4.47Å; T894-F897 CarbonylContact O-C 3.53Å; T894-F897 VanDerWaalsContact O-CA 3.3Å; T894-F897 WeakPolarHBondContact O-CA 3.27Å; T894-F897 WeakPolarHBondContact O-CB 3.41Å; T894-F897 PolarHBondContact O-N 3.22Å; T894-E898 PolarHBondContact O-N 3.37Å |
| 895 | R | 62.8 | Low | 68.2 | Low | 181 Ų | 181 | 77.6 Ų | 77.6 | 68% | 0.683 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.3 | -28.3 | 179.5 | -90.2 | -177.4 | 167.1 | 176.6 | -4.9 | 113.6 | T891 F897 | T891-R895 PolarHBondContact O-N 2.97Å; R895-F897 PolarHBondContact O-N 2.69Å |
| 896 | E | 54.4 | Low | 66.6 | Low | 163 Ų | 163 | 77.2 Ų | 77.2 | 76% | 0.762 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.8 | -25 | 170.4 | -73.5 | -172.7 | 160.4 | 0 | 0 | 113 | T894 T899 | T894-E896 PolarHBondContact O-N 2.93Å; T894-E896 VanDerWaalsContact O-N 3.15Å; E896-T899 PolarHBondContact O-OG1 2.91Å |
| 897 | F | 55 | Low | 65.1 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 26% | 0.259 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -96.4 | -25.7 | 179.4 | -61.6 | -81.6 | 0 | 0 | 0 | 113.3 | M719 Y722 T894 R895 T899 S900 | M719-F897 HydrophobicContact CB-CE1 4.26Å; M719-F897 HydrophobicContact CE-CB 4.08Å; M719-F897 HydrophobicContact CE-CD1 3.76Å; M719-F897 HydrophobicContact CE-CG 4.3Å; M719-F897 HydrophobicContact CG-CD1 3.91Å; M719-F897 HydrophobicContact CG-CE1 4.13Å; M719-F897 HydrophobicContact SD-CD1 4.27Å; Y722-F897 HydrophobicContact CD2-CE2 4.32Å; T894-F897 HydrophobicContact CG2-CB 3.99Å; T894-F897 HydrophobicContact CG2-CD2 4.47Å; T894-F897 CarbonylContact O-C 3.53Å; T894-F897 VanDerWaalsContact O-CA 3.3Å; T894-F897 WeakPolarHBondContact O-CA 3.27Å; T894-F897 WeakPolarHBondContact O-CB 3.41Å; T894-F897 PolarHBondContact O-N 3.22Å; R895-F897 PolarHBondContact O-N 2.69Å; F897-T899 VanDerWaalsContact C-N 3.26Å; F897-T899 PolarHBondContact O-N 2.95Å; F897-S900 PolarHBondContact O-N 3.39Å; F897-S900 PolarHBondContact O-OG 3.18Å |
| 898 | E | 52.6 | Low | 63.8 | Low | 102 Ų | 102 | 81.4 Ų | 81.4 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -20.3 | 179.9 | -79 | -176 | 160.7 | 0 | 0 | 113.6 | T894 S900 | T894-E898 PolarHBondContact O-N 3.37Å; E898-S900 VanDerWaalsContact C-N 3.3Å; E898-S900 PolarHBondContact O-N 2.91Å |
| 899 | T | 48.4 | Very low | 62.4 | Low | 123 Ų | 123 | 75.7 Ų | 75.7 | 76% | 0.755 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.5 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | E896 F897 | E896-T899 PolarHBondContact O-OG1 2.91Å; F897-T899 VanDerWaalsContact C-N 3.26Å; F897-T899 PolarHBondContact O-N 2.95Å |
| 900 | S | 46.4 | Very low | 61.3 | Low | 40 Ų | 40 | 77.4 Ų | 77.4 | 28% | 0.28 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -93 | 117.7 | 171 | 52.5 | 0 | 0 | 0 | 0 | 108.8 | F897 E898 I902 N905 | F897-S900 PolarHBondContact O-N 3.39Å; F897-S900 PolarHBondContact O-OG 3.18Å; E898-S900 VanDerWaalsContact C-N 3.3Å; E898-S900 PolarHBondContact O-N 2.91Å; S900-I902 PolarHBondContact O-N 2.77Å; S900-I902 VanDerWaalsContact O-N 3.16Å; S900-N905 PolarHBondContact O-ND2 3.32Å; S900-N905 PolarHBondContact OG-ND2 2.85Å |
| 901 | N | 51.8 | Low | 60.3 | Low | 103 Ų | 103 | 82.5 Ų | 82.5 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | trans | -42.3 | 127.4 | -175 | -65.2 | -54.8 | 0 | 0 | 0 | 109.5 | V903 D904 N905 | N901-V903 CarbonylContact O-C 3.58Å; N901-V903 PolarHBondContact O-N 3.12Å; N901-D904 HydrophobicContact CB-CB 4.16Å; N901-D904 WeakPolarHBondContact CB-OD2 3.4Å; N901-D904 PolarHBondContact ND2-OD2 3.42Å; N901-D904 WeakPolarHBondContact O-CA 3.44Å; N901-D904 WeakPolarHBondContact O-CB 3.01Å; N901-D904 PolarHBondContact O-N 3.28Å; N901-N905 PolarHBondContact O-N 2.96Å; N901-N905 VanDerWaalsContact O-N 3.07Å | ||
| 902 | I | 54.6 | Low | 59.5 | Low | 125 Ų | 125 | 85.5 Ų | 85.5 | 64% | 0.641 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -47.8 | -33.4 | 175.4 | -76.7 | 166.2 | 0 | 0 | 0 | 110.8 | S900 L906 | S900-I902 PolarHBondContact O-N 2.77Å; S900-I902 VanDerWaalsContact O-N 3.16Å; I902-L906 HydrophobicContact CG2-CD1 3.87Å; I902-L906 WeakPolarHBondContact O-CB 3.36Å; I902-L906 VanDerWaalsContact O-CG 3.28Å; I902-L906 WeakPolarHBondContact O-CG 3.14Å; I902-L906 PolarHBondContact O-N 2.85Å |
| 903 | V | 55.5 | Low | 58.8 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | N901 N905 L906 L907 | N901-V903 CarbonylContact O-C 3.58Å; N901-V903 PolarHBondContact O-N 3.12Å; V903-N905 VanDerWaalsContact C-N 3.33Å; V903-N905 PolarHBondContact O-N 3.22Å; V903-L906 PolarHBondContact O-N 3.01Å; V903-L907 HydrophobicContact CG1-CD1 3.88Å; V903-L907 HydrophobicContact CG1-CG 4.34Å; V903-L907 VanDerWaalsContact O-CB 3.28Å; V903-L907 WeakPolarHBondContact O-CB 3.34Å; V903-L907 WeakPolarHBondContact O-CG 3.28Å; V903-L907 PolarHBondContact O-N 3.35Å |
| 904 | D | 56.2 | Low | 58.5 | Low | 80 Ų | 80 | 85.6 Ų | 85.6 | 43% | 0.428 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177.2 | -67.5 | -25.7 | 0 | 0 | 0 | 111.7 | N901 L907 R908 | N901-D904 HydrophobicContact CB-CB 4.16Å; N901-D904 WeakPolarHBondContact CB-OD2 3.4Å; N901-D904 PolarHBondContact ND2-OD2 3.42Å; N901-D904 WeakPolarHBondContact O-CA 3.44Å; N901-D904 WeakPolarHBondContact O-CB 3.01Å; N901-D904 PolarHBondContact O-N 3.28Å; D904-L907 PolarHBondContact O-N 2.98Å; D904-R908 WeakPolarHBondContact O-CB 3.02Å; D904-R908 PolarHBondContact O-N 3.47Å |
| 905 | N | 58.2 | Low | 58.6 | Low | 21 Ų | 21 | 88.7 Ų | 88.7 | 11% | 0.112 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 175.2 | -75.1 | -52.2 | 0 | 0 | 0 | 113 | M719 S900 N901 V903 L907 R909 | M719-N905 HydrophobicContact CE-CB 3.63Å; M719-N905 WeakPolarHBondContact CE-ND2 3.28Å; M719-N905 WeakPolarHBondContact CE-OD1 3.26Å; M719-N905 HydrophobicContact SD-CB 4.18Å; M719-N905 PolarHBondContact SD-OD1 2.86Å; S900-N905 PolarHBondContact O-ND2 3.32Å; S900-N905 PolarHBondContact OG-ND2 2.85Å; N901-N905 PolarHBondContact O-N 2.96Å; N901-N905 VanDerWaalsContact O-N 3.07Å; V903-N905 VanDerWaalsContact C-N 3.33Å; V903-N905 PolarHBondContact O-N 3.22Å; N905-L907 VanDerWaalsContact C-N 3.33Å; N905-R909 WeakPolarHBondContact O-CB 3.21Å; N905-R909 VanDerWaalsContact O-CG 3.23Å; N905-R909 WeakPolarHBondContact O-CG 3.28Å; N905-R909 PolarHBondContact O-N 3.01Å |
| 906 | L | 58.8 | Low | 58.9 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 170.7 | -77.2 | 166.7 | 0 | 0 | 0 | 110.9 | I902 V903 R909 M910 | I902-L906 HydrophobicContact CG2-CD1 3.87Å; I902-L906 WeakPolarHBondContact O-CB 3.36Å; I902-L906 VanDerWaalsContact O-CG 3.28Å; I902-L906 WeakPolarHBondContact O-CG 3.14Å; I902-L906 PolarHBondContact O-N 2.85Å; V903-L906 PolarHBondContact O-N 3.01Å; L906-R909 WeakPolarHBondContact O-CB 3.47Å; L906-R909 PolarHBondContact O-N 2.92Å; L906-M910 VanDerWaalsContact O-CG 3.29Å; L906-M910 WeakPolarHBondContact O-CG 3.26Å; L906-M910 PolarHBondContact O-N 3.4Å |
| 907 | L | 61.9 | Low | 59.6 | Low | 74 Ų | 74 | 82.9 Ų | 82.9 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.3 | -78 | 165.3 | 0 | 0 | 0 | 110.8 | V903 D904 N905 R909 M910 E911 | V903-L907 HydrophobicContact CG1-CD1 3.88Å; V903-L907 HydrophobicContact CG1-CG 4.34Å; V903-L907 VanDerWaalsContact O-CB 3.28Å; V903-L907 WeakPolarHBondContact O-CB 3.34Å; V903-L907 WeakPolarHBondContact O-CG 3.28Å; V903-L907 PolarHBondContact O-N 3.35Å; D904-L907 PolarHBondContact O-N 2.98Å; N905-L907 VanDerWaalsContact C-N 3.33Å; L907-R909 VanDerWaalsContact C-N 3.28Å; L907-R909 PolarHBondContact O-N 3.29Å; L907-M910 CarbonylContact O-C 3.45Å; L907-M910 PolarHBondContact O-N 2.93Å; L907-M910 VanDerWaalsContact O-N 3.12Å; L907-E911 WeakPolarHBondContact O-CB 3.43Å; L907-E911 WeakPolarHBondContact O-CG 3.43Å; L907-E911 PolarHBondContact O-N 3.27Å |
| 908 | R | 63.7 | Low | 60.3 | Low | 123 Ų | 123 | 82.2 Ų | 82.2 | 46% | 0.464 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | 176.5 | -159.3 | -179.1 | 89.2 | 168.8 | 3.3 | 112.2 | D904 Q912 | D904-R908 WeakPolarHBondContact O-CB 3.02Å; D904-R908 PolarHBondContact O-N 3.47Å; R908-Q912 WeakPolarHBondContact O-CG 3.29Å; R908-Q912 PolarHBondContact O-N 2.79Å |
| 909 | R | 60.1 | Low | 61.2 | Low | 43 Ų | 43 | 83.3 Ų | 83.3 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 174.1 | -76.4 | 174.1 | -172.7 | 179.7 | 8.1 | 111.9 | M719 S723 N905 L906 L907 E911 Q912 Y913 | M719-R909 PolarHBondContact O-NH2 3.36Å; S723-R909 VanDerWaalsContact CB-NH2 3.25Å; S723-R909 PolarHBondContact OG-NH1 3.09Å; S723-R909 PolarHBondContact OG-NH2 2.95Å; N905-R909 WeakPolarHBondContact O-CB 3.21Å; N905-R909 VanDerWaalsContact O-CG 3.23Å; N905-R909 WeakPolarHBondContact O-CG 3.28Å; N905-R909 PolarHBondContact O-N 3.01Å; L906-R909 WeakPolarHBondContact O-CB 3.47Å; L906-R909 PolarHBondContact O-N 2.92Å; L907-R909 VanDerWaalsContact C-N 3.28Å; L907-R909 PolarHBondContact O-N 3.29Å; R909-E911 VanDerWaalsContact C-N 3.32Å; R909-Q912 PolarHBondContact O-N 2.95Å; R909-Y913 PolarHBondContact O-N 3.04Å; R909-Y913 VanDerWaalsContact O-N 3.07Å |
| 910 | M | 64 | Low | 62.3 | Low | 77 Ų | 77 | 82.7 Ų | 82.7 | 38% | 0.379 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 178.5 | -66.2 | -173 | 85.8 | 0 | 0 | 111.3 | M6 L906 L907 A914 | M6-M910 HydrophobicContact CE-CB 3.45Å; M6-M910 VanDerWaalsContact CE-CB 3.45Å; M6-M910 HydrophobicContact SD-CB 3.43Å; M6-M910 WeakPolarHBondContact SD-CB 3.17Å; M6-M910 HydrophobicContact SD-CE 3.51Å; M6-M910 VanDerWaalsContact SD-CE 3.51Å; M6-M910 HydrophobicContact SD-CG 4.12Å; M6-M910 HydrophobicContact SD-SD 3.69Å; M6-M910 VanDerWaalsContact SD-SD 3.69Å; L906-M910 VanDerWaalsContact O-CG 3.29Å; L906-M910 WeakPolarHBondContact O-CG 3.26Å; L906-M910 PolarHBondContact O-N 3.4Å; L907-M910 CarbonylContact O-C 3.45Å; L907-M910 PolarHBondContact O-N 2.93Å; L907-M910 VanDerWaalsContact O-N 3.12Å; M910-A914 WeakPolarHBondContact O-CB 3.22Å; M910-A914 PolarHBondContact O-N 2.85Å |
| 911 | E | 63.8 | Low | 63.6 | Low | 108 Ų | 108 | 84.3 Ų | 84.3 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 170.8 | -80 | 178.7 | 170.8 | 0 | 0 | 111.9 | L907 R909 Y913 A914 N915 | L907-E911 WeakPolarHBondContact O-CB 3.43Å; L907-E911 WeakPolarHBondContact O-CG 3.43Å; L907-E911 PolarHBondContact O-N 3.27Å; R909-E911 VanDerWaalsContact C-N 3.32Å; E911-Y913 PolarHBondContact O-N 2.96Å; E911-A914 WeakPolarHBondContact O-CB 3.24Å; E911-A914 PolarHBondContact O-N 2.95Å; E911-N915 WeakPolarHBondContact O-CB 3.26Å; E911-N915 PolarHBondContact O-N 2.67Å; E911-N915 PolarHBondContact O-ND2 3.47Å; E911-N915 PolarHBondContact O-OD1 3.27Å |
| 912 | Q | 64.5 | Low | 64.5 | Low | 94 Ų | 94 | 83.5 Ų | 83.5 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 178.4 | -77.1 | -179.7 | -10.8 | 0 | 0 | 112.5 | R908 R909 A914 N916 | R908-Q912 WeakPolarHBondContact O-CG 3.29Å; R908-Q912 PolarHBondContact O-N 2.79Å; R909-Q912 PolarHBondContact O-N 2.95Å; Q912-A914 VanDerWaalsContact C-N 3.34Å; Q912-N916 WeakPolarHBondContact O-CB 3.28Å; Q912-N916 VanDerWaalsContact O-CG 3.31Å; Q912-N916 PolarHBondContact O-N 3.2Å; Q912-N916 PolarHBondContact O-ND2 3.28Å |
| 913 | Y | 61.5 | Low | 65.5 | Low | 82 Ų | 82 | 81.6 Ų | 81.6 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.5 | -96.7 | -79 | 0 | 0 | 0 | 111.9 | I714 F757 R909 E911 N916 L917 | I714-Y913 WeakPolarHBondContact CG2-OH 3.45Å; F757-Y913 AromaticContact CE1-CE2 3.93Å; F757-Y913 HydrophobicContact CE1-CE2 3.93Å; F757-Y913 AromaticContact CE1-CZ 3.77Å; F757-Y913 WeakPolarHBondContact CE1-OH 3.45Å; F757-Y913 HydrophobicContact CE2-CD2 4.06Å; F757-Y913 AromaticContact CE2-CE2 3.9Å; F757-Y913 HydrophobicContact CE2-CE2 3.9Å; F757-Y913 HydrophobicContact CE2-CG 4.43Å; F757-Y913 HydrophobicContact CZ-CD1 4.33Å; F757-Y913 HydrophobicContact CZ-CD2 4.04Å; F757-Y913 AromaticContact CZ-CE1 3.78Å; F757-Y913 HydrophobicContact CZ-CE1 3.78Å; F757-Y913 AromaticContact CZ-CE2 3.45Å; F757-Y913 HydrophobicContact CZ-CE2 3.45Å; F757-Y913 VanDerWaalsContact CZ-CE2 3.45Å; F757-Y913 HydrophobicContact CZ-CG 4.43Å; F757-Y913 AromaticContact CZ-CZ 3.29Å; F757-Y913 WeakPolarHBondContact CZ-OH 3.2Å; R909-Y913 PolarHBondContact O-N 3.04Å; R909-Y913 VanDerWaalsContact O-N 3.07Å; E911-Y913 PolarHBondContact O-N 2.96Å; Y913-N916 PolarHBondContact O-N 2.99Å; Y913-L917 WeakPolarHBondContact O-CB 3.42Å; Y913-L917 PolarHBondContact O-N 2.89Å |
| 914 | A | 67.8 | Low | 66.5 | Low | 13 Ų | 13 | 84.8 Ų | 84.8 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M6 L10 M910 E911 Q912 N916 L917 E918 | M6-A914 HydrophobicContact CE-CB 4.45Å; L10-A914 HydrophobicContact CD1-CB 3.18Å; L10-A914 HydrophobicContact CD2-CB 3.74Å; L10-A914 HydrophobicContact CG-CB 4.1Å; M910-A914 WeakPolarHBondContact O-CB 3.22Å; M910-A914 PolarHBondContact O-N 2.85Å; E911-A914 WeakPolarHBondContact O-CB 3.24Å; E911-A914 PolarHBondContact O-N 2.95Å; Q912-A914 VanDerWaalsContact C-N 3.34Å; A914-N916 VanDerWaalsContact C-N 3.32Å; A914-N916 PolarHBondContact O-N 3.02Å; A914-L917 CarbonylContact O-C 3.6Å; A914-L917 PolarHBondContact O-N 3.28Å; A914-L917 VanDerWaalsContact O-N 3.09Å; A914-E918 WeakPolarHBondContact O-CB 3.25Å; A914-E918 PolarHBondContact O-N 2.98Å |
| 915 | N | 68.9 | Low | 67.4 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 178.9 | -66.6 | -8.4 | 0 | 0 | 0 | 111.2 | E911 L917 K919 | E911-N915 WeakPolarHBondContact O-CB 3.26Å; E911-N915 PolarHBondContact O-N 2.67Å; E911-N915 PolarHBondContact O-ND2 3.47Å; E911-N915 PolarHBondContact O-OD1 3.27Å; N915-L917 VanDerWaalsContact C-N 3.34Å; N915-K919 WeakPolarHBondContact O-CB 3.26Å; N915-K919 PolarHBondContact O-N 3.23Å |
| 916 | N | 69.7 | Low | 68.4 | Low | 111 Ų | 111 | 85.9 Ų | 85.9 | 59% | 0.594 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66 | -38 | 173.9 | -73.8 | -19.7 | 0 | 0 | 0 | 111.8 | Q912 Y913 A914 L920 | Q912-N916 WeakPolarHBondContact O-CB 3.28Å; Q912-N916 VanDerWaalsContact O-CG 3.31Å; Q912-N916 PolarHBondContact O-N 3.2Å; Q912-N916 PolarHBondContact O-ND2 3.28Å; Y913-N916 PolarHBondContact O-N 2.99Å; A914-N916 VanDerWaalsContact C-N 3.32Å; A914-N916 PolarHBondContact O-N 3.02Å; N916-L920 WeakPolarHBondContact O-CB 3.3Å; N916-L920 PolarHBondContact O-N 3.2Å; N916-L920 VanDerWaalsContact O-N 3.08Å |
| 917 | L | 68.9 | Low | 69.5 | Low | 110 Ų | 110 | 86.5 Ų | 86.5 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.8 | -41.5 | 177.3 | -151.5 | 87.1 | 0 | 0 | 0 | 111.3 | Y913 A914 N915 L920 V921 | Y913-L917 WeakPolarHBondContact O-CB 3.42Å; Y913-L917 PolarHBondContact O-N 2.89Å; A914-L917 CarbonylContact O-C 3.6Å; A914-L917 PolarHBondContact O-N 3.28Å; A914-L917 VanDerWaalsContact O-N 3.09Å; N915-L917 VanDerWaalsContact C-N 3.34Å; L917-L920 PolarHBondContact O-N 2.05Å; L917-V921 WeakPolarHBondContact O-CB 3.21Å; L917-V921 VanDerWaalsContact O-CG2 3.24Å; L917-V921 WeakPolarHBondContact O-CG2 3.4Å; L917-V921 PolarHBondContact O-N 3.25Å |
| 918 | E | 68.3 | Low | 70.3 | Confident | 45 Ų | 45 | 90 Ų | 90 | 21% | 0.21 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.5 | -82.3 | -167.7 | 152.5 | 0 | 0 | 111.3 | L10 A914 L920 V921 Q922 | L10-E918 VanDerWaalsContact C-OE1 3.27Å; L10-E918 WeakPolarHBondContact CA-OE1 3.28Å; L10-E918 HydrophobicContact CB-CG 4.41Å; L10-E918 WeakPolarHBondContact CB-OE1 3.48Å; L10-E918 HydrophobicContact CD2-CG 3.86Å; L10-E918 WeakPolarHBondContact CD2-OE1 3.39Å; L10-E918 WeakPolarHBondContact CD2-OE2 3.44Å; A914-E918 WeakPolarHBondContact O-CB 3.25Å; A914-E918 PolarHBondContact O-N 2.98Å; E918-L920 VanDerWaalsContact C-N 3.3Å; E918-L920 PolarHBondContact O-N 3.32Å; E918-V921 PolarHBondContact O-N 3.24Å; E918-Q922 VanDerWaalsContact O-CB 3.29Å; E918-Q922 WeakPolarHBondContact O-CB 3.1Å; E918-Q922 WeakPolarHBondContact O-CG 3.49Å; E918-Q922 PolarHBondContact O-N 3.06Å |
| 919 | K | 72.7 | Confident | 71 | Confident | 126 Ų | 126 | 88.9 Ų | 88.9 | 55% | 0.548 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.9 | -173.4 | 177.7 | -179.9 | -179.9 | 0 | 111.4 | N915 V921 Q922 D923 | N915-K919 WeakPolarHBondContact O-CB 3.26Å; N915-K919 PolarHBondContact O-N 3.23Å; K919-V921 VanDerWaalsContact C-N 3.35Å; K919-V921 PolarHBondContact O-N 2.96Å; K919-Q922 WeakPolarHBondContact O-CB 3.27Å; K919-Q922 PolarHBondContact O-N 3.34Å; K919-D923 WeakPolarHBondContact O-CB 3.44Å; K919-D923 PolarHBondContact O-N 2.8Å |
| 920 | L | 72.1 | Confident | 71.9 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.8 | -34.4 | 179.6 | -155.5 | 148 | 0 | 0 | 0 | 112 | N916 L917 E918 R924 | N916-L920 WeakPolarHBondContact O-CB 3.3Å; N916-L920 PolarHBondContact O-N 3.2Å; N916-L920 VanDerWaalsContact O-N 3.08Å; L917-L920 PolarHBondContact O-N 2.05Å; E918-L920 VanDerWaalsContact C-N 3.3Å; E918-L920 PolarHBondContact O-N 3.32Å; L920-R924 HydrophobicContact CD2-CG 4.27Å; L920-R924 WeakPolarHBondContact O-CB 3.27Å; L920-R924 WeakPolarHBondContact O-CG 3.37Å; L920-R924 PolarHBondContact O-N 2.84Å; L920-R924 VanDerWaalsContact O-N 3.13Å |
| 921 | V | 71.8 | Confident | 72.6 | Confident | 74 Ų | 74 | 93.7 Ų | 93.7 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 173.8 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L917 E918 K919 R924 T925 | L917-V921 WeakPolarHBondContact O-CB 3.21Å; L917-V921 VanDerWaalsContact O-CG2 3.24Å; L917-V921 WeakPolarHBondContact O-CG2 3.4Å; L917-V921 PolarHBondContact O-N 3.25Å; E918-V921 PolarHBondContact O-N 3.24Å; K919-V921 VanDerWaalsContact C-N 3.35Å; K919-V921 PolarHBondContact O-N 2.96Å; V921-R924 PolarHBondContact O-N 3.37Å; V921-T925 VanDerWaalsContact O-CB 3.27Å; V921-T925 WeakPolarHBondContact O-CB 3.39Å; V921-T925 PolarHBondContact O-N 3.44Å; V921-T925 PolarHBondContact O-OG1 3.29Å |
| 922 | Q | 71 | Confident | 73.4 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55.6 | -56.4 | 172.2 | -93.6 | 179.9 | -40.8 | 0 | 0 | 111.3 | F14 E918 K919 R924 T925 A926 | F14-Q922 HydrophobicContact CE1-CG 4.24Å; F14-Q922 HydrophobicContact CE2-CG 3.27Å; F14-Q922 HydrophobicContact CZ-CG 3.1Å; E918-Q922 VanDerWaalsContact O-CB 3.29Å; E918-Q922 WeakPolarHBondContact O-CB 3.1Å; E918-Q922 WeakPolarHBondContact O-CG 3.49Å; E918-Q922 PolarHBondContact O-N 3.06Å; K919-Q922 WeakPolarHBondContact O-CB 3.27Å; K919-Q922 PolarHBondContact O-N 3.34Å; Q922-R924 VanDerWaalsContact C-N 3.28Å; Q922-R924 PolarHBondContact O-N 2.81Å; Q922-T925 PolarHBondContact O-N 3.22Å; Q922-T925 VanDerWaalsContact O-N 3.1Å; Q922-A926 WeakPolarHBondContact O-CB 3.42Å; Q922-A926 PolarHBondContact O-N 3.44Å |
| 923 | D | 76.7 | Confident | 74.2 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 46% | 0.46 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | -178.6 | -66.7 | -16.5 | 0 | 0 | 0 | 109.4 | K919 T925 A926 D927 | K919-D923 WeakPolarHBondContact O-CB 3.44Å; K919-D923 PolarHBondContact O-N 2.8Å; D923-T925 PolarHBondContact O-N 3.43Å; D923-A926 PolarHBondContact O-N 2.87Å; D923-D927 VanDerWaalsContact O-CG 3.24Å; D923-D927 PolarHBondContact O-N 2.68Å |
| 924 | R | 75.8 | Confident | 75.2 | Confident | 161 Ų | 161 | 95.6 Ų | 95.6 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.7 | -34.5 | 176.7 | -71.4 | -64.8 | -171.4 | -172.6 | 0.8 | 114.4 | L920 V921 Q922 Y928 | L920-R924 HydrophobicContact CD2-CG 4.27Å; L920-R924 WeakPolarHBondContact O-CB 3.27Å; L920-R924 WeakPolarHBondContact O-CG 3.37Å; L920-R924 PolarHBondContact O-N 2.84Å; L920-R924 VanDerWaalsContact O-N 3.13Å; V921-R924 PolarHBondContact O-N 3.37Å; Q922-R924 VanDerWaalsContact C-N 3.28Å; Q922-R924 PolarHBondContact O-N 2.81Å; R924-Y928 WeakPolarHBondContact O-CB 3.22Å; R924-Y928 PolarHBondContact O-N 2.94Å; R924-Y928 VanDerWaalsContact O-N 3.08Å |
| 925 | T | 74.5 | Confident | 75.7 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.6 | -37 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | V921 Q922 D923 Y928 L929 | V921-T925 VanDerWaalsContact O-CB 3.27Å; V921-T925 WeakPolarHBondContact O-CB 3.39Å; V921-T925 PolarHBondContact O-N 3.44Å; V921-T925 PolarHBondContact O-OG1 3.29Å; Q922-T925 PolarHBondContact O-N 3.22Å; Q922-T925 VanDerWaalsContact O-N 3.1Å; D923-T925 PolarHBondContact O-N 3.43Å; T925-Y928 PolarHBondContact O-N 2.95Å; T925-L929 HydrophobicContact CG2-CD1 4.25Å; T925-L929 WeakPolarHBondContact O-CB 3.36Å; T925-L929 WeakPolarHBondContact O-CG 3.15Å; T925-L929 PolarHBondContact O-N 2.87Å |
| 926 | A | 80.5 | Confident | 76.4 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q922 D923 Y928 L929 Q930 | Q922-A926 WeakPolarHBondContact O-CB 3.42Å; Q922-A926 PolarHBondContact O-N 3.44Å; D923-A926 PolarHBondContact O-N 2.87Å; A926-Y928 VanDerWaalsContact C-N 3.3Å; A926-Y928 PolarHBondContact O-N 3.38Å; A926-L929 PolarHBondContact O-N 2.82Å; A926-Q930 WeakPolarHBondContact O-CB 3.41Å; A926-Q930 PolarHBondContact O-N 2.93Å |
| 927 | D | 81 | Confident | 77 | Confident | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.8 | -45.3 | 173.4 | -70 | -15.9 | 0 | 0 | 0 | 111.2 | D923 Q930 E931 | D923-D927 VanDerWaalsContact O-CG 3.24Å; D923-D927 PolarHBondContact O-N 2.68Å; D927-Q930 PolarHBondContact O-N 3.48Å; D927-E931 PolarHBondContact O-N 2.78Å |
| 928 | Y | 78.6 | Confident | 77.7 | Confident | 148 Ų | 148 | 94.5 Ų | 94.5 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 178.7 | 176.1 | -99.1 | 0 | 0 | 0 | 112.9 | R924 T925 A926 Q930 E931 K932 | R924-Y928 WeakPolarHBondContact O-CB 3.22Å; R924-Y928 PolarHBondContact O-N 2.94Å; R924-Y928 VanDerWaalsContact O-N 3.08Å; T925-Y928 PolarHBondContact O-N 2.95Å; A926-Y928 VanDerWaalsContact C-N 3.3Å; A926-Y928 PolarHBondContact O-N 3.38Å; Y928-Q930 VanDerWaalsContact C-N 3.31Å; Y928-Q930 PolarHBondContact O-N 3.44Å; Y928-E931 PolarHBondContact O-N 2.54Å; Y928-K932 WeakPolarHBondContact O-CB 3.17Å; Y928-K932 PolarHBondContact O-N 2.82Å |
| 929 | L | 79.1 | Confident | 78.4 | Confident | 98 Ų | 98 | 94.5 Ų | 94.5 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.6 | -75.3 | 169.7 | 0 | 0 | 0 | 111.6 | T925 A926 K932 Q933 | T925-L929 HydrophobicContact CG2-CD1 4.25Å; T925-L929 WeakPolarHBondContact O-CB 3.36Å; T925-L929 WeakPolarHBondContact O-CG 3.15Å; T925-L929 PolarHBondContact O-N 2.87Å; A926-L929 PolarHBondContact O-N 2.82Å; L929-K932 PolarHBondContact O-N 3.44Å; L929-Q933 WeakPolarHBondContact O-CB 3.24Å; L929-Q933 PolarHBondContact O-N 3.5Å |
| 930 | Q | 79.9 | Confident | 78.9 | Confident | 111 Ų | 111 | 92.1 Ų | 92.1 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 176.4 | -167.4 | -176.5 | 6.2 | 0 | 0 | 111.7 | A926 D927 Y928 Q933 K934 | A926-Q930 WeakPolarHBondContact O-CB 3.41Å; A926-Q930 PolarHBondContact O-N 2.93Å; D927-Q930 PolarHBondContact O-N 3.48Å; Y928-Q930 VanDerWaalsContact C-N 3.31Å; Y928-Q930 PolarHBondContact O-N 3.44Å; Q930-Q933 PolarHBondContact O-N 2.92Å; Q930-K934 WeakPolarHBondContact O-CG 3.39Å; Q930-K934 PolarHBondContact O-N 3.34Å |
| 931 | E | 77.6 | Confident | 79.1 | Confident | 111 Ų | 111 | 94.4 Ų | 94.4 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.8 | -76.7 | -58.9 | 126.2 | 0 | 0 | 112 | D927 Y928 K934 A935 | D927-E931 PolarHBondContact O-N 2.78Å; Y928-E931 PolarHBondContact O-N 2.54Å; E931-K934 PolarHBondContact O-N 3.4Å; E931-K934 IonicContact OE1-NZ 2.96Å; E931-K934 PolarHBondContact OE1-NZ 3.48Å; E931-A935 PolarHBondContact O-N 2.77Å |
| 932 | K | 81.1 | Confident | 79.5 | Confident | 96 Ų | 96 | 96.4 Ų | 96.4 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 173.7 | -176.1 | -174.1 | 168.6 | -170 | 0 | 111.8 | Y928 L929 K934 A935 E936 | Y928-K932 WeakPolarHBondContact O-CB 3.17Å; Y928-K932 PolarHBondContact O-N 2.82Å; L929-K932 PolarHBondContact O-N 3.44Å; K932-K934 PolarHBondContact O-N 3.06Å; K932-A935 WeakPolarHBondContact O-CB 3.38Å; K932-A935 PolarHBondContact O-N 3.14Å; K932-E936 WeakPolarHBondContact CE-OE1 3.48Å; K932-E936 IonicContact NZ-OE1 2.8Å; K932-E936 PolarHBondContact O-N 2.99Å |
| 933 | Q | 81.2 | Confident | 80.1 | Confident | 120 Ų | 120 | 92.4 Ų | 92.4 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | -179.5 | -169.5 | 171.5 | 21.2 | 0 | 0 | 112.2 | L929 Q930 A935 E936 N937 | L929-Q933 WeakPolarHBondContact O-CB 3.24Å; L929-Q933 PolarHBondContact O-N 3.5Å; Q930-Q933 PolarHBondContact O-N 2.92Å; Q933-A935 VanDerWaalsContact C-N 3.35Å; Q933-E936 PolarHBondContact O-N 3.44Å; Q933-N937 WeakPolarHBondContact O-CB 3.32Å; Q933-N937 VanDerWaalsContact O-CG 3.25Å; Q933-N937 PolarHBondContact O-N 3.09Å; Q933-N937 PolarHBondContact O-ND2 2.78Å |
| 934 | K | 81.9 | Confident | 80.4 | Confident | 107 Ų | 107 | 88.8 Ų | 88.8 | 47% | 0.465 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 171.5 | -70.8 | 174.1 | -169.4 | 166.7 | 0 | 111.4 | Q930 E931 K932 L938 | Q930-K934 WeakPolarHBondContact O-CG 3.39Å; Q930-K934 PolarHBondContact O-N 3.34Å; E931-K934 PolarHBondContact O-N 3.4Å; E931-K934 IonicContact OE1-NZ 2.96Å; E931-K934 PolarHBondContact OE1-NZ 3.48Å; K932-K934 PolarHBondContact O-N 3.06Å; K934-L938 WeakPolarHBondContact O-CB 3.43Å; K934-L938 PolarHBondContact O-N 2.87Å |
| 935 | A | 79.7 | Confident | 80.9 | Confident | 60 Ų | 60 | 88.4 Ų | 88.4 | 50% | 0.496 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | E931 K932 Q933 L938 L939 | E931-A935 PolarHBondContact O-N 2.77Å; K932-A935 WeakPolarHBondContact O-CB 3.38Å; K932-A935 PolarHBondContact O-N 3.14Å; Q933-A935 VanDerWaalsContact C-N 3.35Å; A935-L938 PolarHBondContact O-N 3.48Å; A935-L939 PolarHBondContact O-N 3.38Å |
| 936 | E | 83 | Confident | 81.3 | Confident | 55 Ų | 55 | 87.9 Ų | 87.9 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.2 | -73.5 | -179.6 | 171.9 | 0 | 0 | 112.2 | K932 Q933 L938 L939 Y940 I952 | K932-E936 WeakPolarHBondContact CE-OE1 3.48Å; K932-E936 IonicContact NZ-OE1 2.8Å; K932-E936 PolarHBondContact O-N 2.99Å; Q933-E936 PolarHBondContact O-N 3.44Å; E936-L938 VanDerWaalsContact C-N 3.33Å; E936-L938 PolarHBondContact O-N 2.75Å; E936-L939 WeakPolarHBondContact O-CB 3.38Å; E936-L939 PolarHBondContact O-N 3.39Å; E936-L939 VanDerWaalsContact O-N 3.14Å; E936-Y940 HydrophobicContact CB-CE2 4.13Å; E936-Y940 WeakPolarHBondContact O-CD2 3.44Å; E936-Y940 PolarHBondContact O-N 2.78Å; E936-I952 HydrophobicContact CG-CD1 4.34Å |
| 937 | N | 82.7 | Confident | 81.6 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.2 | -75.1 | -16.3 | 0 | 0 | 0 | 112 | Q933 L939 Y940 Q941 | Q933-N937 WeakPolarHBondContact O-CB 3.32Å; Q933-N937 VanDerWaalsContact O-CG 3.25Å; Q933-N937 PolarHBondContact O-N 3.09Å; Q933-N937 PolarHBondContact O-ND2 2.78Å; N937-L939 VanDerWaalsContact C-N 3.31Å; N937-L939 PolarHBondContact O-N 3.19Å; N937-Y940 PolarHBondContact O-N 3.21Å; N937-Q941 WeakPolarHBondContact O-CG 3.46Å; N937-Q941 PolarHBondContact O-N 3.06Å; N937-Q941 VanDerWaalsContact O-N 3.11Å |
| 938 | L | 82.9 | Confident | 81.8 | Confident | 101 Ų | 101 | 81.4 Ų | 81.4 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 174.2 | -174.1 | 67.4 | 0 | 0 | 0 | 111.2 | K934 A935 E936 Q941 L942 | K934-L938 WeakPolarHBondContact O-CB 3.43Å; K934-L938 PolarHBondContact O-N 2.87Å; A935-L938 PolarHBondContact O-N 3.48Å; E936-L938 VanDerWaalsContact C-N 3.33Å; E936-L938 PolarHBondContact O-N 2.75Å; L938-Q941 WeakPolarHBondContact O-CB 3.46Å; L938-Q941 PolarHBondContact O-N 3.35Å; L938-L942 HydrophobicContact CG-CD1 4.37Å; L938-L942 WeakPolarHBondContact O-CG 2.92Å; L938-L942 PolarHBondContact O-N 3.1Å |
| 939 | L | 82.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 76.4 Ų | 76.4 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.7 | -170.3 | 65.7 | 0 | 0 | 0 | 112.5 | A935 E936 N937 Q941 L942 L943 A948 I952 | A935-L939 PolarHBondContact O-N 3.38Å; E936-L939 WeakPolarHBondContact O-CB 3.38Å; E936-L939 PolarHBondContact O-N 3.39Å; E936-L939 VanDerWaalsContact O-N 3.14Å; N937-L939 VanDerWaalsContact C-N 3.31Å; N937-L939 PolarHBondContact O-N 3.19Å; L939-Q941 PolarHBondContact O-N 3.16Å; L939-L942 PolarHBondContact O-N 2.78Å; L939-L942 VanDerWaalsContact O-N 3.15Å; L939-L943 HydrophobicContact CD1-CD1 4.12Å; L939-L943 PolarHBondContact O-N 2.89Å; L939-A948 HydrophobicContact CD2-CB 4.27Å; L939-A948 HydrophobicContact CG-CB 4.1Å; L939-I952 HydrophobicContact CD2-CD1 4Å; L939-I952 HydrophobicContact CD2-CG1 3.65Å |
| 940 | Y | 82.4 | Confident | 82.4 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.8 | -21.2 | 174.9 | -65 | -47.2 | 0 | 0 | 0 | 113.7 | E936 N937 K945 A948 I952 | E936-Y940 HydrophobicContact CB-CE2 4.13Å; E936-Y940 WeakPolarHBondContact O-CD2 3.44Å; E936-Y940 PolarHBondContact O-N 2.78Å; N937-Y940 PolarHBondContact O-N 3.21Å; Y940-K945 HydrophobicContact CD1-CB 4.45Å; Y940-K945 HydrophobicContact CD1-CG 4.07Å; Y940-A948 HydrophobicContact CD1-CB 3.63Å; Y940-A948 HydrophobicContact CE1-CB 3.82Å; Y940-I952 HydrophobicContact CE1-CD1 4.15Å |
| 941 | Q | 77.9 | Confident | 82.5 | Confident | 156 Ų | 156 | 72.6 Ų | 72.6 | 73% | 0.729 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -79.4 | -25 | 172 | -72.5 | 172.8 | -0.5 | 0 | 0 | 112.5 | N937 L938 L939 | N937-Q941 WeakPolarHBondContact O-CG 3.46Å; N937-Q941 PolarHBondContact O-N 3.06Å; N937-Q941 VanDerWaalsContact O-N 3.11Å; L938-Q941 WeakPolarHBondContact O-CB 3.46Å; L938-Q941 PolarHBondContact O-N 3.35Å; L939-Q941 PolarHBondContact O-N 3.16Å |
| 942 | L | 78.6 | Confident | 82.8 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -93.2 | -30.4 | -177.4 | -69 | 171 | 0 | 0 | 0 | 113.8 | L938 L939 | L938-L942 HydrophobicContact CG-CD1 4.37Å; L938-L942 WeakPolarHBondContact O-CG 2.92Å; L938-L942 PolarHBondContact O-N 3.1Å; L939-L942 PolarHBondContact O-N 2.78Å; L939-L942 VanDerWaalsContact O-N 3.15Å |
| 943 | L | 83.6 | Confident | 83 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -133.1 | 153.9 | -174.2 | -69 | 174.9 | 0 | 0 | 0 | 111.5 | L939 K945 A948 L951 P1099 | L939-L943 HydrophobicContact CD1-CD1 4.12Å; L939-L943 PolarHBondContact O-N 2.89Å; L943-K945 PolarHBondContact O-N 3.29Å; L943-A948 HydrophobicContact CB-CB 4.29Å; L943-L951 HydrophobicContact CD1-CD1 3.34Å; L943-P1099 HydrophobicContact CD1-CB 4.22Å; L943-P1099 HydrophobicContact CD1-CG 4.08Å |
| 944 | P | 83.6 | Confident | 82.9 | Confident | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.058 | 38% | 0.376 | C | S | . | . | trans | -58.7 | 139.3 | 174.9 | -7.7 | 17.4 | 0 | 0 | 0 | 110.6 | S946 V947 A948 Y1027 P1043 Y1101 | P944-S946 PolarHBondContact O-N 3.04Å; P944-V947 HydrophobicContact CB-CG2 4.33Å; P944-V947 HydrophobicContact CG-CB 4.33Å; P944-V947 HydrophobicContact CG-CG2 4.04Å; P944-V947 WeakPolarHBondContact O-CA 3.46Å; P944-V947 WeakPolarHBondContact O-CB 3.22Å; P944-V947 PolarHBondContact O-N 2.85Å; P944-A948 PolarHBondContact O-N 2.82Å; P944-Y1027 HydrophobicContact CB-CD2 4.29Å; P944-Y1027 HydrophobicContact CB-CE2 3.86Å; P944-Y1027 VanDerWaalsContact CD-OH 3.28Å; P944-Y1027 WeakPolarHBondContact CD-OH 3.46Å; P944-Y1027 HydrophobicContact CG-CD2 4.18Å; P944-Y1027 HydrophobicContact CG-CE1 4.2Å; P944-Y1027 HydrophobicContact CG-CE2 3.48Å; P944-Y1027 VanDerWaalsContact CG-CE2 3.48Å; P944-P1043 HydrophobicContact CB-CG 3.75Å; P944-P1043 HydrophobicContact CG-CG 4.25Å; P944-Y1101 HydrophobicContact CG-CD1 3.76Å; P944-Y1101 HydrophobicContact CG-CE1 4.24Å; P944-Y1101 HydrophobicContact CG-CG 3.92Å | ||
| 945 | K | 85.8 | Confident | 82.9 | Confident | 153 Ų | 153 | 70.3 Ų | 70.3 | 67% | 0.665 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -51.2 | -37.6 | -175.6 | -69.6 | -179 | 178.4 | 174.8 | 0 | 114.1 | Y940 L943 S949 | Y940-K945 HydrophobicContact CD1-CB 4.45Å; Y940-K945 HydrophobicContact CD1-CG 4.07Å; L943-K945 PolarHBondContact O-N 3.29Å; K945-S949 WeakPolarHBondContact O-CB 3.39Å; K945-S949 PolarHBondContact O-N 2.9Å; K945-S949 PolarHBondContact O-OG 3.47Å |
| 946 | S | 84.6 | Confident | 82.8 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.3 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | P944 Q950 | P944-S946 PolarHBondContact O-N 3.04Å; S946-Q950 WeakPolarHBondContact O-CG 3.45Å |
| 947 | V | 85 | Confident | 82.6 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.3 | -45.3 | 179.2 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | P944 S949 Q950 L951 V957 V1093 Y1101 | P944-V947 HydrophobicContact CB-CG2 4.33Å; P944-V947 HydrophobicContact CG-CB 4.33Å; P944-V947 HydrophobicContact CG-CG2 4.04Å; P944-V947 WeakPolarHBondContact O-CA 3.46Å; P944-V947 WeakPolarHBondContact O-CB 3.22Å; P944-V947 PolarHBondContact O-N 2.85Å; V947-S949 VanDerWaalsContact C-N 3.29Å; V947-S949 PolarHBondContact O-N 3.28Å; V947-Q950 PolarHBondContact O-N 2.92Å; V947-Q950 VanDerWaalsContact O-N 3.14Å; V947-L951 HydrophobicContact CG1-CD1 4.4Å; V947-L951 PolarHBondContact O-N 2.95Å; V947-L951 VanDerWaalsContact O-N 3.1Å; V947-V957 HydrophobicContact CG1-CG1 4.1Å; V947-V957 HydrophobicContact CG1-CG2 4Å; V947-V957 HydrophobicContact CG2-CG1 4.49Å; V947-V1093 HydrophobicContact CG1-CG2 3.32Å; V947-Y1101 HydrophobicContact CG1-CD2 4.47Å; V947-Y1101 HydrophobicContact CG2-CD2 3.94Å; V947-Y1101 HydrophobicContact CG2-CE2 3.81Å |
| 948 | A | 85.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L939 Y940 L943 P944 Q950 L951 I952 | L939-A948 HydrophobicContact CD2-CB 4.27Å; L939-A948 HydrophobicContact CG-CB 4.1Å; Y940-A948 HydrophobicContact CD1-CB 3.63Å; Y940-A948 HydrophobicContact CE1-CB 3.82Å; L943-A948 HydrophobicContact CB-CB 4.29Å; P944-A948 PolarHBondContact O-N 2.82Å; A948-Q950 VanDerWaalsContact C-N 3.32Å; A948-Q950 PolarHBondContact O-N 2.85Å; A948-L951 PolarHBondContact O-N 2.87Å; A948-I952 VanDerWaalsContact O-CG1 3.27Å; A948-I952 WeakPolarHBondContact O-CG1 3.41Å; A948-I952 PolarHBondContact O-N 3.01Å |
| 949 | S | 85 | Confident | 82.8 | Confident | 43 Ų | 43 | 75 Ų | 75 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 113.4 | K945 V947 K953 | K945-S949 WeakPolarHBondContact O-CB 3.39Å; K945-S949 PolarHBondContact O-N 2.9Å; K945-S949 PolarHBondContact O-OG 3.47Å; V947-S949 VanDerWaalsContact C-N 3.29Å; V947-S949 PolarHBondContact O-N 3.28Å; S949-K953 WeakPolarHBondContact O-CG 3.42Å; S949-K953 PolarHBondContact O-N 2.83Å |
| 950 | Q | 85.3 | Confident | 83.2 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 174.8 | -70.6 | 174.1 | 26.1 | 0 | 0 | 110.8 | S946 V947 A948 I952 K953 G954 E955 V957 | S946-Q950 WeakPolarHBondContact O-CG 3.45Å; V947-Q950 PolarHBondContact O-N 2.92Å; V947-Q950 VanDerWaalsContact O-N 3.14Å; A948-Q950 VanDerWaalsContact C-N 3.32Å; A948-Q950 PolarHBondContact O-N 2.85Å; Q950-I952 PolarHBondContact O-N 2.74Å; Q950-K953 PolarHBondContact O-N 2.8Å; Q950-K953 VanDerWaalsContact O-N 3.15Å; Q950-G954 PolarHBondContact O-N 3.11Å; Q950-E955 HydrophobicContact CB-CB 4.31Å; Q950-E955 PolarHBondContact O-N 3.17Å; Q950-V957 HydrophobicContact CB-CG2 4.12Å |
| 951 | L | 83.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 176.5 | -68.3 | 173.6 | 0 | 0 | 0 | 112.4 | L943 V947 A948 K953 G954 V957 P1099 | L943-L951 HydrophobicContact CD1-CD1 3.34Å; V947-L951 HydrophobicContact CG1-CD1 4.4Å; V947-L951 PolarHBondContact O-N 2.95Å; V947-L951 VanDerWaalsContact O-N 3.1Å; A948-L951 PolarHBondContact O-N 2.87Å; L951-K953 PolarHBondContact O-N 2.76Å; L951-G954 PolarHBondContact O-N 2.87Å; L951-V957 HydrophobicContact CD2-CG2 3.87Å; L951-V957 HydrophobicContact CG-CG2 3.95Å; L951-P1099 HydrophobicContact CD1-CB 4.46Å; L951-P1099 HydrophobicContact CD1-CG 4.47Å |
| 952 | I | 83.8 | Confident | 84.4 | Confident | 75 Ų | 75 | 69 Ų | 69 | 39% | 0.385 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -33.9 | 175.3 | -69.1 | 164.8 | 0 | 0 | 0 | 111.6 | E936 L939 Y940 A948 Q950 G954 | E936-I952 HydrophobicContact CG-CD1 4.34Å; L939-I952 HydrophobicContact CD2-CD1 4Å; L939-I952 HydrophobicContact CD2-CG1 3.65Å; Y940-I952 HydrophobicContact CE1-CD1 4.15Å; A948-I952 VanDerWaalsContact O-CG1 3.27Å; A948-I952 WeakPolarHBondContact O-CG1 3.41Å; A948-I952 PolarHBondContact O-N 3.01Å; Q950-I952 PolarHBondContact O-N 2.74Å; I952-G954 VanDerWaalsContact C-N 3.28Å; I952-G954 PolarHBondContact O-N 3.16Å |
| 953 | K | 83.6 | Confident | 85 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 65% | 0.648 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.4 | 176.9 | -68.7 | 174.7 | -175.6 | -179.4 | 0 | 113.7 | S949 Q950 L951 E955 | S949-K953 WeakPolarHBondContact O-CG 3.42Å; S949-K953 PolarHBondContact O-N 2.83Å; Q950-K953 PolarHBondContact O-N 2.8Å; Q950-K953 VanDerWaalsContact O-N 3.15Å; L951-K953 PolarHBondContact O-N 2.76Å; K953-E955 VanDerWaalsContact C-N 3.28Å; K953-E955 HydrophobicContact CB-CG 4.04Å |
| 954 | G | 80.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 17.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q950 L951 I952 | Q950-G954 PolarHBondContact O-N 3.11Å; L951-G954 PolarHBondContact O-N 2.87Å; I952-G954 VanDerWaalsContact C-N 3.28Å; I952-G954 PolarHBondContact O-N 3.16Å |
| 955 | E | 80.6 | Confident | 86 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | trans | -83.5 | 137.2 | 177.8 | -67.5 | 174.3 | -179.8 | 0 | 0 | 110.6 | Q950 K953 V957 | Q950-E955 HydrophobicContact CB-CB 4.31Å; Q950-E955 PolarHBondContact O-N 3.17Å; K953-E955 VanDerWaalsContact C-N 3.28Å; K953-E955 HydrophobicContact CB-CG 4.04Å; E955-V957 PolarHBondContact O-N 2.86Å | ||
| 956 | P | 77.8 | Confident | 86.5 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 71% | 0.714 | 37% | 0.372 | S | S | * | . | trans | -71.8 | 127.4 | 176.8 | 28.4 | -33.2 | 0 | 0 | 0 | 111.4 | K958 | P956-K958 PolarHBondContact O-N 3.33Š| ||
| 957 | V | 79.5 | Confident | 87 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | trans | -81.2 | 113.5 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V947 Q950 L951 E955 V1093 | V947-V957 HydrophobicContact CG1-CG1 4.1Å; V947-V957 HydrophobicContact CG1-CG2 4Å; V947-V957 HydrophobicContact CG2-CG1 4.49Å; Q950-V957 HydrophobicContact CB-CG2 4.12Å; L951-V957 HydrophobicContact CD2-CG2 3.87Å; L951-V957 HydrophobicContact CG-CG2 3.95Å; E955-V957 PolarHBondContact O-N 2.86Å; V957-V1093 HydrophobicContact CB-CB 4.38Å; V957-V1093 HydrophobicContact CB-CG2 4.04Å; V957-V1093 HydrophobicContact CG1-CB 4.48Å; V957-V1093 HydrophobicContact CG1-CG2 3.81Å; V957-V1093 HydrophobicContact CG2-CG2 4.27Å | ||
| 958 | K | 83.3 | Confident | 87.5 | Confident | 181 Ų | 181 | 61.1 Ų | 61.1 | 79% | 0.787 | 35% | 0.351 | S | S | * | . | trans | -80.8 | 147.6 | 177.3 | -64.9 | -177.9 | -178.3 | 177.7 | 0 | 111 | P956 | P956-K958 PolarHBondContact O-N 3.33Š| ||
| 959 | A | 87.1 | Confident | 87.9 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | trans | -68.4 | 137.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A1091 | A959-A1091 CarbonylContact C-O 3.52Å; A959-A1091 WeakPolarHBondContact CA-O 3.39Å | ||
| 960 | E | 90.3 | Very high | 88.2 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.3 | -179.9 | -172.6 | 179.7 | 164.9 | 0 | 0 | 110.2 | F962 R1045 C1090 A1091 | E960-F962 HydrophobicContact CB-CE2 3.86Å; E960-F962 HydrophobicContact CB-CZ 4.22Å; E960-F962 VanDerWaalsContact CD-CZ 3.48Å; E960-F962 HydrophobicContact CG-CD2 4.47Å; E960-F962 HydrophobicContact CG-CE2 3.93Å; E960-F962 HydrophobicContact CG-CZ 3.99Å; E960-R1045 IonicContact OE1-CZ 3.85Å; E960-R1045 IonicContact OE1-NE 2.69Å; E960-R1045 PolarHBondContact OE1-NE 2.8Å; E960-R1045 IonicContact OE1-NH2 3.21Å; E960-R1045 PolarHBondContact OE1-NH2 3.05Å; E960-C1090 CarbonylContact O-C 3.54Å; E960-C1090 WeakPolarHBondContact O-CA 3.38Å; E960-C1090 PolarHBondContact O-SG 2.91Å; E960-A1091 PolarHBondContact N-O 2.76Å; E960-A1091 PolarHBondContact O-N 3.24Å |
| 961 | A | 91.9 | Very high | 88.4 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1045 | A961-R1045 PolarHBondContact O-NH2 2.97Å |
| 962 | F | 92.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.3 | 178.8 | -64.3 | -94.9 | 0 | 0 | 0 | 109.6 | E960 C964 V965 L1042 R1045 P1088 V1089 A1091 | E960-F962 HydrophobicContact CB-CE2 3.86Å; E960-F962 HydrophobicContact CB-CZ 4.22Å; E960-F962 VanDerWaalsContact CD-CZ 3.48Å; E960-F962 HydrophobicContact CG-CD2 4.47Å; E960-F962 HydrophobicContact CG-CE2 3.93Å; E960-F962 HydrophobicContact CG-CZ 3.99Å; F962-C964 PolarHBondContact O-N 2.78Å; F962-V965 HydrophobicContact CB-CG1 3.87Å; F962-V965 HydrophobicContact CG-CG1 4.46Å; F962-L1042 HydrophobicContact CD1-CB 3.82Å; F962-L1042 HydrophobicContact CD2-CB 4.11Å; F962-L1042 HydrophobicContact CD2-CD2 4.05Å; F962-L1042 HydrophobicContact CE1-CB 3.69Å; F962-L1042 HydrophobicContact CE2-CB 3.99Å; F962-L1042 HydrophobicContact CE2-CD2 4.38Å; F962-L1042 HydrophobicContact CG-CB 4.05Å; F962-L1042 HydrophobicContact CG-CD2 4.36Å; F962-L1042 HydrophobicContact CZ-CB 3.8Å; F962-R1045 HydrophobicContact CD1-CG 3.87Å; F962-R1045 HydrophobicContact CE1-CG 3.99Å; F962-P1088 WeakPolarHBondContact O-CA 3.5Å; F962-V1089 HydrophobicContact CB-CG1 4.21Å; F962-V1089 PolarHBondContact N-O 2.87Å; F962-V1089 PolarHBondContact O-N 3.16Å; F962-A1091 HydrophobicContact CD2-CB 4.35Å; F962-A1091 HydrophobicContact CE2-CB 4.02Å |
| 963 | D | 91.6 | Very high | 88.7 | Confident | 126 Ų | 126 | 54 Ų | 54 | 67% | 0.674 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -35.3 | -170.7 | -53.5 | -62.2 | 0 | 0 | 0 | 112.9 | R1045 P1088 | D963-R1045 IonicContact OD2-NH1 3.86Å; D963-R1045 PolarHBondContact OD2-NH1 3.49Å; D963-P1088 WeakPolarHBondContact O-CA 3.38Å; D963-P1088 WeakPolarHBondContact O-CB 3.07Å |
| 964 | C | 93.2 | Very high | 88.6 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 129 | 176.4 | -162.1 | 0 | 0 | 0 | 0 | 109.8 | F962 H1050 | F962-C964 PolarHBondContact O-N 2.78Å; C964-H1050 VanDerWaalsContact SG-CE1 3.51Å |
| 965 | V | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 159.4 | 170.4 | -63.4 | 0 | 0 | 0 | 0 | 108.9 | F962 I967 V1039 S1040 L1042 S1086 G1087 V1089 | F962-V965 HydrophobicContact CB-CG1 3.87Å; F962-V965 HydrophobicContact CG-CG1 4.46Å; V965-I967 HydrophobicContact CG2-CD1 4.41Å; V965-I967 HydrophobicContact CG2-CG1 4.1Å; V965-V1039 HydrophobicContact CB-CG2 4Å; V965-V1039 HydrophobicContact CG2-CG2 4.15Å; V965-S1040 WeakPolarHBondContact CB-O 3.44Å; V965-L1042 HydrophobicContact CG1-CB 4.28Å; V965-L1042 HydrophobicContact CG1-CD2 3.91Å; V965-L1042 HydrophobicContact CG1-CG 4.15Å; V965-S1086 CarbonylContact O-C 3.29Å; V965-S1086 WeakPolarHBondContact O-CA 3.13Å; V965-G1087 WeakPolarHBondContact CG2-O 3.41Å; V965-G1087 PolarHBondContact N-O 3.45Å; V965-G1087 PolarHBondContact O-N 3.25Å; V965-V1089 HydrophobicContact CB-CG1 4.45Å; V965-V1089 HydrophobicContact CG1-CG1 4.09Å; V965-V1089 HydrophobicContact CG2-CB 3.96Å; V965-V1089 HydrophobicContact CG2-CG1 3.5Å |
| 966 | T | 96.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.4 | 168.7 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | V1039 S1040 H1050 A1051 I1054 I1084 S1086 T1129 | T966-V1039 WeakPolarHBondContact O-CA 3.24Å; T966-S1040 PolarHBondContact N-O 3.24Å; T966-S1040 PolarHBondContact O-N 3.4Å; T966-H1050 PolarHBondContact N-ND1 2.86Å; T966-H1050 PolarHBondContact OG1-ND1 3.03Å; T966-A1051 VanDerWaalsContact OG1-CA 3.32Å; T966-A1051 WeakPolarHBondContact OG1-CA 3.43Å; T966-A1051 PolarHBondContact OG1-N 3.26Å; T966-I1054 HydrophobicContact CG2-CB 3.76Å; T966-I1054 HydrophobicContact CG2-CG1 3.95Å; T966-I1054 HydrophobicContact CG2-CG2 3.73Å; T966-I1084 HydrophobicContact CG2-CG2 3.34Å; T966-S1086 PolarHBondContact OG1-OG 2.99Å; T966-T1129 HydrophobicContact CG2-CG2 4.42Å |
| 967 | I | 95.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.5 | 179.4 | -55.6 | -178.2 | 0 | 0 | 0 | 109 | V965 F969 M1037 V1039 I1084 H1085 L1103 T1107 V1108 A1111 | V965-I967 HydrophobicContact CG2-CD1 4.41Å; V965-I967 HydrophobicContact CG2-CG1 4.1Å; I967-F969 HydrophobicContact CG2-CD2 3.69Å; I967-F969 HydrophobicContact CG2-CE2 3.57Å; I967-M1037 HydrophobicContact CD1-CE 4.38Å; I967-M1037 HydrophobicContact CG2-CE 3.77Å; I967-M1037 HydrophobicContact CG2-CG 4.35Å; I967-V1039 HydrophobicContact CG1-CG2 3.96Å; I967-I1084 WeakPolarHBondContact O-CA 3.21Å; I967-H1085 PolarHBondContact N-O 3.31Å; I967-H1085 PolarHBondContact O-N 3.27Å; I967-L1103 HydrophobicContact CD1-CD2 4.25Å; I967-T1107 HydrophobicContact CD1-CG2 3.88Å; I967-T1107 HydrophobicContact CG1-CG2 4.26Å; I967-V1108 HydrophobicContact CD1-CB 4.38Å; I967-V1108 HydrophobicContact CD1-CG2 3.73Å; I967-A1111 HydrophobicContact CB-CB 3.9Å; I967-A1111 HydrophobicContact CG2-CB 3.93Å |
| 968 | Y | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.4 | 170.2 | 171 | -85.7 | 0 | 0 | 0 | 109.3 | S970 Y1036 M1037 V1038 I1054 M1057 S1058 L1061 I1082 I1084 | Y968-S970 VanDerWaalsContact CE1-OG 3.26Å; Y968-S970 WeakPolarHBondContact CE1-OG 3.3Å; Y968-S970 VanDerWaalsContact OH-CB 3.28Å; Y968-S970 WeakPolarHBondContact OH-CB 3.47Å; Y968-S970 PolarHBondContact OH-OG 2.99Å; Y968-Y1036 HydrophobicContact CE1-CD1 4.27Å; Y968-M1037 WeakPolarHBondContact O-CA 3.32Å; Y968-V1038 WeakPolarHBondContact CB-O 2.79Å; Y968-V1038 HydrophobicContact CD1-CB 4.12Å; Y968-V1038 HydrophobicContact CD1-CG2 4.17Å; Y968-V1038 PolarHBondContact N-O 3.47Å; Y968-V1038 PolarHBondContact O-N 3.27Å; Y968-I1054 HydrophobicContact CD2-CG2 4.49Å; Y968-M1057 HydrophobicContact CD1-CE 3.96Å; Y968-M1057 HydrophobicContact CD2-CE 3.51Å; Y968-M1057 HydrophobicContact CE1-CE 4.38Å; Y968-M1057 HydrophobicContact CE2-CE 3.94Å; Y968-M1057 HydrophobicContact CG-CE 3.51Å; Y968-S1058 WeakPolarHBondContact CD2-OG 3.42Å; Y968-S1058 WeakPolarHBondContact CE2-OG 3.21Å; Y968-L1061 HydrophobicContact CE1-CD1 4.16Å; Y968-L1061 HydrophobicContact CE2-CD1 4.22Å; Y968-I1082 HydrophobicContact CD2-CG2 3.68Å; Y968-I1082 HydrophobicContact CE2-CB 4.24Å; Y968-I1082 HydrophobicContact CE2-CD1 4.02Å; Y968-I1082 HydrophobicContact CE2-CG1 4Å; Y968-I1082 HydrophobicContact CE2-CG2 3.26Å; Y968-I1084 HydrophobicContact CD2-CG1 4.43Å |
| 969 | F | 93.6 | Very high | 87.5 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.2 | 165.2 | -88.5 | -88.2 | 0 | 0 | 0 | 109.3 | I967 M1037 I1082 G1083 V1108 A1111 E1115 | I967-F969 HydrophobicContact CG2-CD2 3.69Å; I967-F969 HydrophobicContact CG2-CE2 3.57Å; F969-M1037 HydrophobicContact CD1-CB 4.39Å; F969-M1037 HydrophobicContact CD1-CG 4.41Å; F969-M1037 HydrophobicContact CD2-CG 4.5Å; F969-M1037 HydrophobicContact CE1-CB 4.09Å; F969-M1037 HydrophobicContact CE1-CG 3.94Å; F969-M1037 HydrophobicContact CE1-SD 3.98Å; F969-M1037 HydrophobicContact CE2-CE 3.97Å; F969-M1037 HydrophobicContact CE2-CG 4.06Å; F969-M1037 HydrophobicContact CE2-SD 4.1Å; F969-M1037 HydrophobicContact CZ-CB 4.41Å; F969-M1037 HydrophobicContact CZ-CE 3.87Å; F969-M1037 HydrophobicContact CZ-CG 3.75Å; F969-M1037 HydrophobicContact CZ-SD 3.47Å; F969-M1037 WeakPolarHBondContact CZ-SD 3.23Å; F969-I1082 WeakPolarHBondContact O-CA 3.34Å; F969-G1083 PolarHBondContact N-O 2.8Å; F969-G1083 PolarHBondContact O-N 3.44Å; F969-V1108 HydrophobicContact CE2-CG1 4Å; F969-V1108 HydrophobicContact CZ-CG1 3.86Å; F969-A1111 HydrophobicContact CD2-CB 3.56Å; F969-A1111 HydrophobicContact CE2-CB 3.92Å; F969-E1115 HydrophobicContact CB-CB 3.7Å; F969-E1115 HydrophobicContact CB-CG 4.07Å |
| 970 | S | 91 | Very high | 86.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.8 | 167.8 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | Y968 A1035 Y1036 R1081 | Y968-S970 VanDerWaalsContact CE1-OG 3.26Å; Y968-S970 WeakPolarHBondContact CE1-OG 3.3Å; Y968-S970 VanDerWaalsContact OH-CB 3.28Å; Y968-S970 WeakPolarHBondContact OH-CB 3.47Å; Y968-S970 PolarHBondContact OH-OG 2.99Å; S970-A1035 CarbonylContact O-C 3.52Å; S970-A1035 WeakPolarHBondContact O-CA 3.47Å; S970-A1035 WeakPolarHBondContact O-CB 3.09Å; S970-Y1036 PolarHBondContact N-O 3.28Å; S970-Y1036 VanDerWaalsContact N-O 3.15Å; S970-Y1036 PolarHBondContact O-N 2.8Å; S970-Y1036 WeakPolarHBondContact OG-CB 3.36Å; S970-Y1036 PolarHBondContact OG-O 3.49Å; S970-R1081 CarbonylContact C-O 2.98Å; S970-R1081 WeakPolarHBondContact CA-O 3.21Å; S970-R1081 VanDerWaalsContact CB-O 3.25Å; S970-R1081 WeakPolarHBondContact CB-O 3.33Å |
| 971 | D | 89.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.3 | -178.8 | 177.3 | 59.4 | 0 | 0 | 0 | 109.8 | D1034 R1081 E1115 | D971-D1034 VanDerWaalsContact OD1-OD2 3.08Å; D971-R1081 HydrophobicContact CB-CB 4.5Å; D971-R1081 PolarHBondContact N-O 3.4Å; D971-R1081 PolarHBondContact O-N 3.16Å; D971-E1115 VanDerWaalsContact CB-CD 3.46Å; D971-E1115 HydrophobicContact CB-CG 4.15Å; D971-E1115 WeakPolarHBondContact CB-OE1 3.15Å |
| 972 | I | 85.7 | Confident | 84.4 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.1 | 177.2 | -59.9 | 170.9 | 0 | 0 | 0 | 108.2 | G974 F975 L1013 D1034 L1078 L1080 | I972-G974 PolarHBondContact O-N 2.94Å; I972-F975 HydrophobicContact CB-CB 3.95Å; I972-F975 HydrophobicContact CB-CD2 4.3Å; I972-F975 HydrophobicContact CB-CG 4.46Å; I972-F975 HydrophobicContact CD1-CD2 4.04Å; I972-F975 HydrophobicContact CD1-CE2 4.46Å; I972-F975 HydrophobicContact CG2-CB 4.05Å; I972-F975 HydrophobicContact CG2-CD2 4.2Å; I972-F975 WeakPolarHBondContact O-CB 3.48Å; I972-F975 PolarHBondContact O-N 2.78Å; I972-L1013 HydrophobicContact CD1-CD2 3.31Å; I972-L1013 HydrophobicContact CG1-CD2 4.2Å; I972-D1034 HydrophobicContact CB-CB 4.45Å; I972-D1034 HydrophobicContact CD1-CB 4.23Å; I972-D1034 HydrophobicContact CG1-CB 4.49Å; I972-L1078 HydrophobicContact CG2-CD1 3.7Å; I972-L1078 HydrophobicContact CG2-CG 4.23Å; I972-L1080 HydrophobicContact CG1-CD1 4.44Å |
| 973 | V | 86.9 | Confident | 82.5 | Confident | 41 Ų | 41 | 41 Ų | 41 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 115.4 | -175.7 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | K1079 R1081 P1120 | V973-K1079 HydrophobicContact CB-CB 4.07Å; V973-K1079 HydrophobicContact CG2-CB 4.46Å; V973-K1079 WeakPolarHBondContact CG2-O 3.12Å; V973-K1079 PolarHBondContact N-O 3.47Å; V973-R1081 HydrophobicContact CG2-CB 3.89Å; V973-P1120 HydrophobicContact CG1-CG 4.19Å; V973-P1120 HydrophobicContact CG2-CB 4.05Å; V973-P1120 HydrophobicContact CG2-CG 4.05Å |
| 974 | G | 82.2 | Confident | 80.6 | Confident | 34 Ų | 34 | 41 Ų | 41 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 16.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I972 T976 S977 L978 | I972-G974 PolarHBondContact O-N 2.94Å; G974-T976 PolarHBondContact O-N 2.98Å; G974-S977 WeakPolarHBondContact CA-OG 3.1Å; G974-S977 PolarHBondContact O-N 2.87Å; G974-S977 PolarHBondContact O-OG 3.48Å; G974-L978 PolarHBondContact O-N 3.08Å |
| 975 | F | 79.6 | Confident | 78.4 | Confident | 27 Ų | 27 | 46.2 Ų | 46.2 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 178 | -174.5 | -103.4 | 0 | 0 | 0 | 113.4 | I972 S977 L978 C979 L1010 D1034 | I972-F975 HydrophobicContact CB-CB 3.95Å; I972-F975 HydrophobicContact CB-CD2 4.3Å; I972-F975 HydrophobicContact CB-CG 4.46Å; I972-F975 HydrophobicContact CD1-CD2 4.04Å; I972-F975 HydrophobicContact CD1-CE2 4.46Å; I972-F975 HydrophobicContact CG2-CB 4.05Å; I972-F975 HydrophobicContact CG2-CD2 4.2Å; I972-F975 WeakPolarHBondContact O-CB 3.48Å; I972-F975 PolarHBondContact O-N 2.78Å; F975-S977 VanDerWaalsContact C-N 3.26Å; F975-S977 PolarHBondContact O-N 2.83Å; F975-L978 WeakPolarHBondContact O-CB 3.44Å; F975-L978 PolarHBondContact O-N 3.4Å; F975-C979 WeakPolarHBondContact CE1-SG 3.23Å; F975-C979 WeakPolarHBondContact CZ-SG 3.31Å; F975-C979 PolarHBondContact O-N 2.95Å; F975-L1010 HydrophobicContact CE2-CD2 3.52Å; F975-L1010 HydrophobicContact CE2-CG 4.17Å; F975-L1010 HydrophobicContact CZ-CD1 4.03Å; F975-L1010 HydrophobicContact CZ-CD2 3.64Å; F975-L1010 HydrophobicContact CZ-CG 4.09Å; F975-D1034 HydrophobicContact CB-CB 4.03Å; F975-D1034 WeakPolarHBondContact CB-OD2 3.12Å; F975-D1034 HydrophobicContact CD1-CB 3.41Å; F975-D1034 VanDerWaalsContact CD1-CB 3.41Å; F975-D1034 HydrophobicContact CD2-CB 3.97Å; F975-D1034 HydrophobicContact CE1-CB 3.77Å; F975-D1034 HydrophobicContact CE2-CB 4.31Å; F975-D1034 HydrophobicContact CG-CB 3.51Å; F975-D1034 WeakPolarHBondContact CG-OD2 3.43Å; F975-D1034 HydrophobicContact CZ-CB 4.21Å |
| 976 | T | 77.1 | Confident | 75.9 | Confident | 114 Ų | 114 | 53.8 Ų | 53.8 | 70% | 0.699 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.6 | -40.2 | 178.4 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | G974 A980 | G974-T976 PolarHBondContact O-N 2.98Å; T976-A980 WeakPolarHBondContact O-CB 3.23Å; T976-A980 PolarHBondContact O-N 2.8Å |
| 977 | S | 78.3 | Confident | 73.2 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 173.8 | 31 | 0 | 0 | 0 | 0 | 112.4 | G974 F975 C979 A980 E981 | G974-S977 WeakPolarHBondContact CA-OG 3.1Å; G974-S977 PolarHBondContact O-N 2.87Å; G974-S977 PolarHBondContact O-OG 3.48Å; F975-S977 VanDerWaalsContact C-N 3.26Å; F975-S977 PolarHBondContact O-N 2.83Å; S977-C979 VanDerWaalsContact C-N 3.3Å; S977-C979 PolarHBondContact O-N 3.36Å; S977-A980 PolarHBondContact O-N 2.78Å; S977-E981 WeakPolarHBondContact O-CG 3.38Å; S977-E981 PolarHBondContact O-N 3.39Å |
| 978 | L | 73.4 | Confident | 70.4 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 175.6 | -88 | 154.5 | 0 | 0 | 0 | 112 | G974 F975 S982 I1070 | G974-L978 PolarHBondContact O-N 3.08Å; F975-L978 WeakPolarHBondContact O-CB 3.44Å; F975-L978 PolarHBondContact O-N 3.4Å; L978-S982 WeakPolarHBondContact O-CB 3.38Å; L978-S982 PolarHBondContact O-OG 3.22Å; L978-I1070 HydrophobicContact CD2-CD1 4.36Å |
| 979 | C | 70.3 | Confident | 67.4 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 27% | 0.27 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.1 | -38.2 | 176.1 | -68.9 | 0 | 0 | 0 | 0 | 113.2 | F975 S977 E981 S982 | F975-C979 WeakPolarHBondContact CE1-SG 3.23Å; F975-C979 WeakPolarHBondContact CZ-SG 3.31Å; F975-C979 PolarHBondContact O-N 2.95Å; S977-C979 VanDerWaalsContact C-N 3.3Å; S977-C979 PolarHBondContact O-N 3.36Å; C979-E981 VanDerWaalsContact C-N 3.33Å; C979-E981 PolarHBondContact O-N 2.92Å; C979-S982 PolarHBondContact O-N 3.5Å |
| 980 | A | 71.4 | Confident | 64.6 | Low | 83 Ų | 83 | 78 Ų | 78 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.3 | -33.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | T976 S977 S982 | T976-A980 WeakPolarHBondContact O-CB 3.23Å; T976-A980 PolarHBondContact O-N 2.8Å; S977-A980 PolarHBondContact O-N 2.78Å; A980-S982 VanDerWaalsContact C-N 3.3Å |
| 981 | E | 70.1 | Confident | 61.8 | Low | 119 Ų | 119 | 83.7 Ų | 83.7 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.1 | 177.1 | -67.3 | 177 | -166.6 | 0 | 0 | 113.5 | S977 C979 R1073 | S977-E981 WeakPolarHBondContact O-CG 3.38Å; S977-E981 PolarHBondContact O-N 3.39Å; C979-E981 VanDerWaalsContact C-N 3.33Å; C979-E981 PolarHBondContact O-N 2.92Å; E981-R1073 IonicContact OE2-CZ 3.53Å; E981-R1073 VanDerWaalsContact OE2-CZ 3.22Å; E981-R1073 IonicContact OE2-NH1 3.96Å; E981-R1073 PolarHBondContact OE2-NH1 3.35Å; E981-R1073 IonicContact OE2-NH2 3.89Å; E981-R1073 PolarHBondContact OE2-NH2 3.08Å |
| 982 | S | 62.2 | Low | 59.3 | Low | 17 Ų | 17 | 88.5 Ų | 88.5 | 12% | 0.119 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -99.6 | 116.3 | -179.1 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | L978 C979 A980 V1006 | L978-S982 WeakPolarHBondContact O-CB 3.38Å; L978-S982 PolarHBondContact O-OG 3.22Å; C979-S982 PolarHBondContact O-N 3.5Å; A980-S982 VanDerWaalsContact C-N 3.3Å; S982-V1006 VanDerWaalsContact CB-CG2 3.44Å |
| 983 | T | 54.3 | Low | 56.7 | Low | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.454 | 57% | 0.568 | S | S | . | * | trans | -67.8 | 135.1 | 177.7 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | M985 Q986 | T983-M985 PolarHBondContact O-N 2.85Å; T983-Q986 WeakPolarHBondContact OG1-CB 3.49Å; T983-Q986 PolarHBondContact OG1-OE1 3.49Å | ||
| 984 | P | 51.9 | Low | 54.2 | Low | 125 Ų | 125 | 98.1 Ų | 98.1 | 81% | 0.812 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -60.1 | -18.6 | 176.9 | -24.3 | 33.1 | 0 | 0 | 0 | 114.3 | ||
| 985 | M | 45.9 | Very low | 52.3 | Low | 160 Ų | 160 | 101.1 Ų | 101.1 | 79% | 0.788 | 62% | 0.615 | S | S | * | * | trans | -157 | 85.2 | -171.9 | -154 | 171.9 | 71.4 | 0 | 0 | 110.5 | T983 | T983-M985 PolarHBondContact O-N 2.85Š| ||
| 986 | Q | 42.6 | Very low | 50.5 | Low | 159 Ų | 159 | 107.2 Ų | 107.2 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -103.2 | 107.2 | 166.4 | -141.1 | 158.2 | -4.1 | 0 | 0 | 110 | T983 S988 | T983-Q986 WeakPolarHBondContact OG1-CB 3.49Å; T983-Q986 PolarHBondContact OG1-OE1 3.49Å; Q986-S988 PolarHBondContact O-N 2.94Å | ||
| 987 | V | 39.6 | Very low | 48.7 | Very low | 120 Ų | 120 | 111.1 Ų | 111.1 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -74.9 | 97.7 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | S989 | V987-S989 PolarHBondContact O-N 3.42Š| ||
| 988 | S | 36.7 | Very low | 46.8 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | trans | -81.7 | 104.6 | 160.6 | 65.6 | 0 | 0 | 0 | 0 | 107.8 | Q986 Q990 | Q986-S988 PolarHBondContact O-N 2.94Å; S988-Q990 PolarHBondContact O-N 2.74Å | ||
| 989 | S | 34.1 | Very low | 44.9 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -68.5 | 101.9 | 170.9 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | V987 | V987-S989 PolarHBondContact O-N 3.42Š| ||
| 990 | Q | 34.7 | Very low | 43.3 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -170.2 | 119 | 150 | -107 | 169.9 | 9 | 0 | 0 | 109.8 | S988 | S988-Q990 PolarHBondContact O-N 2.74Š| ||
| 991 | P | 32.3 | Very low | 41.6 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | trans | -83.2 | 122 | 175.5 | 31.5 | -27.5 | 0 | 0 | 0 | 109.6 | ||||
| 992 | V | 36.2 | Very low | 39.9 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -109.5 | 110.6 | 160.5 | 178.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 993 | C | 31.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -81.1 | 123.2 | 175.8 | -57 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 994 | T | 34.6 | Very low | 38.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -127.3 | 132.4 | 145.1 | 49.5 | 0 | 0 | 0 | 0 | 107.3 | D996 | T994-D996 PolarHBondContact O-N 3.46Š| ||
| 995 | A | 41.9 | Very low | 39.2 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -66.5 | 98.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 996 | D | 42.4 | Very low | 40.2 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 175.1 | 133.1 | 143.3 | -86.8 | -27 | 0 | 0 | 0 | 107.1 | T994 | T994-D996 PolarHBondContact O-N 3.46Š|
| 997 | E | 39.1 | Very low | 41.5 | Very low | 195 Ų | 195 | 126.4 Ų | 126.4 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | trans | 72.7 | 82.6 | 174.6 | -55.5 | -167.6 | 152.4 | 0 | 0 | 118 | K999 | E997-K999 PolarHBondContact O-N 2.76Š| ||
| 998 | L | 37.7 | Very low | 43.1 | Very low | 179 Ų | 179 | 122.1 Ų | 122.1 | 94% | 0.937 | 69% | 0.693 | S | S | * | * | trans | -75.8 | 95 | 160.6 | -166.9 | 78.4 | 0 | 0 | 0 | 110.3 | ||||
| 999 | K | 33.2 | Very low | 44.9 | Very low | 182 Ų | 182 | 117 Ų | 117 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | trans | -141.9 | 124.7 | 148.8 | -109.1 | -178.7 | -175.6 | 178.6 | 0 | 110.7 | E997 V1001 | E997-K999 PolarHBondContact O-N 2.76Å; K999-V1001 PolarHBondContact O-N 3.11Å | ||
| 1000 | P | 37.1 | Very low | 47.1 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | trans | -69 | 126 | -170.2 | 27.4 | -32.7 | 0 | 0 | 0 | 111 | N1002 | P1000-N1002 PolarHBondContact O-N 2.85Š| ||
| 1001 | V | 35.4 | Very low | 49.2 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | trans | -94.6 | 80.5 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | K999 R1004 | K999-V1001 PolarHBondContact O-N 3.11Å; V1001-R1004 HydrophobicContact CG1-CB 4.06Å; V1001-R1004 HydrophobicContact CG1-CG 3.88Å | ||
| 1002 | N | 33.7 | Very low | 51.6 | Low | 136 Ų | 136 | 107 Ų | 107 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | trans | -109.3 | 139 | 174.3 | -65.8 | -19.7 | 0 | 0 | 0 | 108.9 | P1000 | P1000-N1002 PolarHBondContact O-N 2.85Š| ||
| 1003 | C | 40.5 | Very low | 53.8 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 68% | 0.676 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 99.5 | 8.2 | -177.8 | -55.4 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1004 | R | 51.3 | Low | 56.4 | Low | 142 Ų | 142 | 96.4 Ų | 96.4 | 54% | 0.536 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.9 | -18.7 | -155.3 | -112.7 | -179.6 | 117.1 | 170.6 | -5.1 | 120.4 | V1001 N1008 | V1001-R1004 HydrophobicContact CG1-CB 4.06Å; V1001-R1004 HydrophobicContact CG1-CG 3.88Å; R1004-N1008 VanDerWaalsContact CB-ND2 3.32Å; R1004-N1008 WeakPolarHBondContact CB-ND2 3.24Å; R1004-N1008 WeakPolarHBondContact CD-ND2 3.4Å; R1004-N1008 WeakPolarHBondContact CD-OD1 3.39Å; R1004-N1008 VanDerWaalsContact CG-ND2 3.34Å; R1004-N1008 WeakPolarHBondContact CG-ND2 3.32Å; R1004-N1008 WeakPolarHBondContact CG-OD1 3.49Å; R1004-N1008 PolarHBondContact NE-ND2 2.86Å; R1004-N1008 VanDerWaalsContact NE-ND2 3.18Å; R1004-N1008 PolarHBondContact NE-OD1 3.44Å; R1004-N1008 WeakPolarHBondContact O-CA 3.49Å; R1004-N1008 WeakPolarHBondContact O-CB 3.33Å; R1004-N1008 PolarHBondContact O-N 2.72Å; R1004-N1008 PolarHBondContact O-ND2 3.32Å |
| 1005 | Q | 63 | Low | 58.8 | Low | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.1 | -56.4 | -164.9 | -70 | -176.6 | -1.5 | 0 | 0 | 115.8 | L1009 | Q1005-L1009 PolarHBondContact O-N 3.04Å; Q1005-L1009 VanDerWaalsContact O-N 3.07Å |
| 1006 | V | 65.8 | Low | 60.9 | Low | 37 Ų | 37 | 90.8 Ų | 90.8 | 22% | 0.224 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -71.2 | -39 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | S982 N1008 L1009 L1010 | S982-V1006 VanDerWaalsContact CB-CG2 3.44Å; V1006-N1008 VanDerWaalsContact C-N 3.33Å; V1006-N1008 PolarHBondContact O-N 2.78Å; V1006-L1009 PolarHBondContact O-N 3.35Å; V1006-L1010 PolarHBondContact O-N 3.14Å |
| 1007 | V | 70.4 | Confident | 63.2 | Low | 92 Ų | 92 | 83.5 Ų | 83.5 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | N1011 | V1007-N1011 WeakPolarHBondContact O-CB 3.49Å; V1007-N1011 PolarHBondContact O-N 2.88Å |
| 1008 | N | 72.9 | Confident | 65.5 | Low | 30 Ų | 30 | 76.6 Ų | 76.6 | 16% | 0.16 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 172.7 | -77.8 | -22.9 | 0 | 0 | 0 | 111.4 | R1004 V1006 L1010 N1011 D1012 | R1004-N1008 VanDerWaalsContact CB-ND2 3.32Å; R1004-N1008 WeakPolarHBondContact CB-ND2 3.24Å; R1004-N1008 WeakPolarHBondContact CD-ND2 3.4Å; R1004-N1008 WeakPolarHBondContact CD-OD1 3.39Å; R1004-N1008 VanDerWaalsContact CG-ND2 3.34Å; R1004-N1008 WeakPolarHBondContact CG-ND2 3.32Å; R1004-N1008 WeakPolarHBondContact CG-OD1 3.49Å; R1004-N1008 PolarHBondContact NE-ND2 2.86Å; R1004-N1008 VanDerWaalsContact NE-ND2 3.18Å; R1004-N1008 PolarHBondContact NE-OD1 3.44Å; R1004-N1008 WeakPolarHBondContact O-CA 3.49Å; R1004-N1008 WeakPolarHBondContact O-CB 3.33Å; R1004-N1008 PolarHBondContact O-N 2.72Å; R1004-N1008 PolarHBondContact O-ND2 3.32Å; V1006-N1008 VanDerWaalsContact C-N 3.33Å; V1006-N1008 PolarHBondContact O-N 2.78Å; N1008-L1010 VanDerWaalsContact C-N 3.31Å; N1008-L1010 PolarHBondContact O-N 2.97Å; N1008-N1011 CarbonylContact O-C 3.54Å; N1008-N1011 PolarHBondContact O-N 3.42Å; N1008-N1011 VanDerWaalsContact O-N 3.15Å; N1008-D1012 VanDerWaalsContact O-CB 3.29Å; N1008-D1012 WeakPolarHBondContact O-CB 3.41Å; N1008-D1012 PolarHBondContact O-N 3.26Å |
| 1009 | L | 75.7 | Confident | 68 | Low | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.068 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 178.6 | 172.2 | 63 | 0 | 0 | 0 | 111 | Q1005 V1006 L1013 F1068 I1070 | Q1005-L1009 PolarHBondContact O-N 3.04Å; Q1005-L1009 VanDerWaalsContact O-N 3.07Å; V1006-L1009 PolarHBondContact O-N 3.35Å; L1009-L1013 VanDerWaalsContact O-CB 3.26Å; L1009-L1013 WeakPolarHBondContact O-CB 3.38Å; L1009-L1013 PolarHBondContact O-N 3.4Å; L1009-F1068 HydrophobicContact CD1-CE1 3.72Å; L1009-F1068 HydrophobicContact CD1-CZ 4.32Å; L1009-I1070 HydrophobicContact CD1-CB 4.45Å; L1009-I1070 HydrophobicContact CD1-CG1 4.09Å; L1009-I1070 HydrophobicContact CD1-CG2 4.13Å; L1009-I1070 HydrophobicContact CD2-CG2 4.32Å |
| 1010 | L | 79.1 | Confident | 70.7 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.8 | -75.1 | 177.3 | 0 | 0 | 0 | 111.7 | F975 V1006 N1008 L1013 Y1014 | F975-L1010 HydrophobicContact CE2-CD2 3.52Å; F975-L1010 HydrophobicContact CE2-CG 4.17Å; F975-L1010 HydrophobicContact CZ-CD1 4.03Å; F975-L1010 HydrophobicContact CZ-CD2 3.64Å; F975-L1010 HydrophobicContact CZ-CG 4.09Å; V1006-L1010 PolarHBondContact O-N 3.14Å; N1008-L1010 VanDerWaalsContact C-N 3.31Å; N1008-L1010 PolarHBondContact O-N 2.97Å; L1010-L1013 PolarHBondContact O-N 2.9Å; L1010-Y1014 HydrophobicContact CB-CD2 4.29Å; L1010-Y1014 HydrophobicContact CB-CE2 4.15Å; L1010-Y1014 HydrophobicContact CD2-CE2 3.93Å; L1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; L1010-Y1014 WeakPolarHBondContact O-CD2 3.43Å; L1010-Y1014 PolarHBondContact O-N 3.22Å |
| 1011 | N | 79.6 | Confident | 73.2 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 180 | -166.1 | 75.1 | 0 | 0 | 0 | 111.7 | V1007 N1008 T1015 | V1007-N1011 WeakPolarHBondContact O-CB 3.49Å; V1007-N1011 PolarHBondContact O-N 2.88Å; N1008-N1011 CarbonylContact O-C 3.54Å; N1008-N1011 PolarHBondContact O-N 3.42Å; N1008-N1011 VanDerWaalsContact O-N 3.15Å; N1011-T1015 WeakPolarHBondContact O-CB 2.85Å; N1011-T1015 PolarHBondContact O-N 3.08Å; N1011-T1015 PolarHBondContact O-OG1 3.11Å |
| 1012 | D | 81.3 | Confident | 75.8 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 178.5 | -64.3 | -19.1 | 0 | 0 | 0 | 110.9 | N1008 C1016 F1068 M1071 | N1008-D1012 VanDerWaalsContact O-CB 3.29Å; N1008-D1012 WeakPolarHBondContact O-CB 3.41Å; N1008-D1012 PolarHBondContact O-N 3.26Å; D1012-C1016 WeakPolarHBondContact O-CB 3.36Å; D1012-C1016 PolarHBondContact O-N 2.87Å; D1012-F1068 HydrophobicContact CB-CE2 4.25Å; D1012-F1068 HydrophobicContact CB-CZ 3.87Å; D1012-M1071 WeakPolarHBondContact OD2-CE 2.97Å |
| 1013 | L | 83.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 176.8 | -176.7 | 66.5 | 0 | 0 | 0 | 111.6 | I972 L1009 L1010 T1015 C1016 F1017 F1068 L1078 | I972-L1013 HydrophobicContact CD1-CD2 3.31Å; I972-L1013 HydrophobicContact CG1-CD2 4.2Å; L1009-L1013 VanDerWaalsContact O-CB 3.26Å; L1009-L1013 WeakPolarHBondContact O-CB 3.38Å; L1009-L1013 PolarHBondContact O-N 3.4Å; L1010-L1013 PolarHBondContact O-N 2.9Å; L1013-T1015 VanDerWaalsContact C-N 3.34Å; L1013-T1015 PolarHBondContact O-N 2.92Å; L1013-C1016 WeakPolarHBondContact O-CB 3.36Å; L1013-C1016 PolarHBondContact O-N 2.83Å; L1013-F1017 HydrophobicContact CD1-CD1 4.19Å; L1013-F1017 HydrophobicContact CD1-CE1 3.48Å; L1013-F1017 VanDerWaalsContact CD1-CE1 3.48Å; L1013-F1017 HydrophobicContact CD1-CE2 4.33Å; L1013-F1017 HydrophobicContact CD1-CZ 3.56Å; L1013-F1017 HydrophobicContact CD2-CE2 4.41Å; L1013-F1017 HydrophobicContact CD2-CZ 4.28Å; L1013-F1017 HydrophobicContact CG-CE1 4.08Å; L1013-F1017 HydrophobicContact CG-CE2 4.15Å; L1013-F1017 HydrophobicContact CG-CZ 3.88Å; L1013-F1017 WeakPolarHBondContact O-CD1 3.47Å; L1013-F1017 WeakPolarHBondContact O-CG 2.99Å; L1013-F1017 PolarHBondContact O-N 3Å; L1013-F1068 HydrophobicContact CB-CE1 4.49Å; L1013-F1068 HydrophobicContact CB-CE2 4.45Å; L1013-F1068 HydrophobicContact CB-CZ 4.05Å; L1013-F1068 HydrophobicContact CD1-CD1 4.37Å; L1013-F1068 HydrophobicContact CD1-CD2 4.35Å; L1013-F1068 HydrophobicContact CD1-CE1 4.38Å; L1013-F1068 HydrophobicContact CD1-CE2 4.35Å; L1013-F1068 HydrophobicContact CD1-CG 4.36Å; L1013-F1068 HydrophobicContact CD1-CZ 4.36Å; L1013-L1078 HydrophobicContact CD1-CD2 3.49Å; L1013-L1078 VanDerWaalsContact CD1-CD2 3.49Å; L1013-L1078 HydrophobicContact CD2-CD2 3.81Å; L1013-L1078 HydrophobicContact CG-CD2 4.3Å |
| 1014 | Y | 85.5 | Confident | 80.9 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -33.6 | 178.2 | -67 | -40.7 | 0 | 0 | 0 | 112 | L1010 C1016 F1017 D1018 T1031 G1033 Y1036 | L1010-Y1014 HydrophobicContact CB-CD2 4.29Å; L1010-Y1014 HydrophobicContact CB-CE2 4.15Å; L1010-Y1014 HydrophobicContact CD2-CE2 3.93Å; L1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; L1010-Y1014 WeakPolarHBondContact O-CD2 3.43Å; L1010-Y1014 PolarHBondContact O-N 3.22Å; Y1014-C1016 VanDerWaalsContact C-N 3.34Å; Y1014-F1017 HydrophobicContact CD1-CD2 4.4Å; Y1014-F1017 PolarHBondContact O-N 3.19Å; Y1014-D1018 WeakPolarHBondContact O-CB 3.28Å; Y1014-D1018 PolarHBondContact O-N 3.2Å; Y1014-T1031 HydrophobicContact CD1-CG2 4.43Å; Y1014-T1031 HydrophobicContact CE1-CG2 4.04Å; Y1014-T1031 HydrophobicContact CE2-CG2 4.42Å; Y1014-G1033 PolarHBondContact OH-O 3.17Å; Y1014-Y1036 AromaticContact CD1-CD2 3.64Å; Y1014-Y1036 HydrophobicContact CD1-CD2 3.64Å; Y1014-Y1036 AromaticContact CD1-CE2 3.9Å; Y1014-Y1036 HydrophobicContact CD1-CE2 3.9Å; Y1014-Y1036 AromaticContact CE1-CD2 3.69Å; Y1014-Y1036 HydrophobicContact CE1-CD2 3.69Å; Y1014-Y1036 HydrophobicContact CE1-CE2 4.38Å |
| 1015 | T | 85.9 | Confident | 82.8 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 171.1 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | N1011 L1013 S1019 | N1011-T1015 WeakPolarHBondContact O-CB 2.85Å; N1011-T1015 PolarHBondContact O-N 3.08Å; N1011-T1015 PolarHBondContact O-OG1 3.11Å; L1013-T1015 VanDerWaalsContact C-N 3.34Å; L1013-T1015 PolarHBondContact O-N 2.92Å; T1015-S1019 WeakPolarHBondContact O-CB 3.14Å; T1015-S1019 PolarHBondContact O-N 2.85Å; T1015-S1019 PolarHBondContact O-OG 2.98Å |
| 1016 | C | 86 | Confident | 84.1 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | D1012 L1013 Y1014 S1019 I1020 F1068 | D1012-C1016 WeakPolarHBondContact O-CB 3.36Å; D1012-C1016 PolarHBondContact O-N 2.87Å; L1013-C1016 WeakPolarHBondContact O-CB 3.36Å; L1013-C1016 PolarHBondContact O-N 2.83Å; Y1014-C1016 VanDerWaalsContact C-N 3.34Å; C1016-S1019 PolarHBondContact O-N 2.89Å; C1016-S1019 PolarHBondContact O-OG 2.77Å; C1016-I1020 WeakPolarHBondContact O-CG1 3.36Å; C1016-I1020 PolarHBondContact O-N 2.87Å; C1016-F1068 HydrophobicContact CB-CD2 4.44Å; C1016-F1068 HydrophobicContact CB-CE2 4.34Å |
| 1017 | F | 90.1 | Very high | 85.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 178.2 | -69.8 | 3.9 | 0 | 0 | 0 | 112 | L1013 Y1014 S1019 I1020 I1021 Y1036 L1061 V1065 L1080 | L1013-F1017 HydrophobicContact CD1-CD1 4.19Å; L1013-F1017 HydrophobicContact CD1-CE1 3.48Å; L1013-F1017 VanDerWaalsContact CD1-CE1 3.48Å; L1013-F1017 HydrophobicContact CD1-CE2 4.33Å; L1013-F1017 HydrophobicContact CD1-CZ 3.56Å; L1013-F1017 HydrophobicContact CD2-CE2 4.41Å; L1013-F1017 HydrophobicContact CD2-CZ 4.28Å; L1013-F1017 HydrophobicContact CG-CE1 4.08Å; L1013-F1017 HydrophobicContact CG-CE2 4.15Å; L1013-F1017 HydrophobicContact CG-CZ 3.88Å; L1013-F1017 WeakPolarHBondContact O-CD1 3.47Å; L1013-F1017 WeakPolarHBondContact O-CG 2.99Å; L1013-F1017 PolarHBondContact O-N 3Å; Y1014-F1017 HydrophobicContact CD1-CD2 4.4Å; Y1014-F1017 PolarHBondContact O-N 3.19Å; F1017-S1019 VanDerWaalsContact C-N 3.3Å; F1017-S1019 PolarHBondContact O-N 2.67Å; F1017-I1020 PolarHBondContact O-N 2.94Å; F1017-I1021 WeakPolarHBondContact O-CG1 3.22Å; F1017-I1021 WeakPolarHBondContact O-CG2 3.02Å; F1017-I1021 PolarHBondContact O-N 2.62Å; F1017-Y1036 HydrophobicContact CB-CE1 4.03Å; F1017-Y1036 HydrophobicContact CB-CE2 4.25Å; F1017-Y1036 AromaticContact CD2-CD1 3.91Å; F1017-Y1036 HydrophobicContact CD2-CD1 3.91Å; F1017-Y1036 HydrophobicContact CD2-CD2 4.06Å; F1017-Y1036 HydrophobicContact CD2-CE1 4.19Å; F1017-Y1036 HydrophobicContact CD2-CE2 4.33Å; F1017-Y1036 AromaticContact CD2-CG 3.84Å; F1017-Y1036 HydrophobicContact CD2-CG 3.84Å; F1017-Y1036 HydrophobicContact CE2-CG 4.45Å; F1017-L1061 HydrophobicContact CB-CD2 3.96Å; F1017-L1061 HydrophobicContact CD1-CD2 3.59Å; F1017-L1061 HydrophobicContact CE1-CD2 4.2Å; F1017-L1061 HydrophobicContact CG-CD2 3.78Å; F1017-V1065 HydrophobicContact CE1-CG2 3.54Å; F1017-V1065 HydrophobicContact CZ-CG2 3.69Å; F1017-L1080 HydrophobicContact CE2-CD1 4.34Å; F1017-L1080 HydrophobicContact CZ-CD1 4.13Å; F1017-L1080 HydrophobicContact CZ-CD2 4.09Å |
| 1018 | D | 88.3 | Confident | 86.2 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 176.9 | -74.6 | -26.1 | 0 | 0 | 0 | 110.5 | Y1014 I1020 I1021 E1022 K1028 Y1036 | Y1014-D1018 WeakPolarHBondContact O-CB 3.28Å; Y1014-D1018 PolarHBondContact O-N 3.2Å; D1018-I1020 VanDerWaalsContact C-N 3.27Å; D1018-I1020 PolarHBondContact O-N 3.25Å; D1018-I1021 VanDerWaalsContact O-CG1 3.25Å; D1018-I1021 WeakPolarHBondContact O-CG1 3.45Å; D1018-I1021 PolarHBondContact O-N 3.05Å; D1018-E1022 WeakPolarHBondContact O-CG 3.32Å; D1018-E1022 PolarHBondContact O-N 2.83Å; D1018-K1028 VanDerWaalsContact CG-NZ 3.26Å; D1018-K1028 WeakPolarHBondContact OD1-CD 3.45Å; D1018-K1028 IonicContact OD1-NZ 3.22Å; D1018-K1028 PolarHBondContact OD1-NZ 3.35Å; D1018-K1028 IonicContact OD2-NZ 2.74Å; D1018-K1028 PolarHBondContact OD2-NZ 3.22Å; D1018-Y1036 PolarHBondContact OD1-OH 3.06Å |
| 1019 | S | 89.4 | Confident | 86.7 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -27.7 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 114.4 | T1015 C1016 F1017 N1023 | T1015-S1019 WeakPolarHBondContact O-CB 3.14Å; T1015-S1019 PolarHBondContact O-N 2.85Å; T1015-S1019 PolarHBondContact O-OG 2.98Å; C1016-S1019 PolarHBondContact O-N 2.89Å; C1016-S1019 PolarHBondContact O-OG 2.77Å; F1017-S1019 VanDerWaalsContact C-N 3.3Å; F1017-S1019 PolarHBondContact O-N 2.67Å; S1019-N1023 PolarHBondContact O-ND2 2.96Å |
| 1020 | I | 90 | Very high | 86.7 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.9 | -49.1 | 178.3 | -68.1 | 164.5 | 0 | 0 | 0 | 109.2 | C1016 F1017 D1018 E1022 N1023 Y1024 A1060 L1061 A1064 | C1016-I1020 WeakPolarHBondContact O-CG1 3.36Å; C1016-I1020 PolarHBondContact O-N 2.87Å; F1017-I1020 PolarHBondContact O-N 2.94Å; D1018-I1020 VanDerWaalsContact C-N 3.27Å; D1018-I1020 PolarHBondContact O-N 3.25Å; I1020-E1022 PolarHBondContact O-N 3.42Å; I1020-N1023 PolarHBondContact O-N 3.46Å; I1020-N1023 VanDerWaalsContact O-N 3.15Å; I1020-Y1024 HydrophobicContact CG2-CE2 3.82Å; I1020-Y1024 WeakPolarHBondContact O-CD2 3.47Å; I1020-Y1024 WeakPolarHBondContact O-CE2 3.41Å; I1020-A1060 HydrophobicContact CG2-CB 3.96Å; I1020-L1061 HydrophobicContact CB-CD2 4.01Å; I1020-L1061 HydrophobicContact CD1-CD2 3.93Å; I1020-L1061 HydrophobicContact CG2-CD2 3.96Å; I1020-L1061 HydrophobicContact CG2-CG 4.19Å; I1020-A1064 HydrophobicContact CD1-CB 3.33Å |
| 1021 | I | 90.8 | Very high | 86.1 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -26.2 | -175.6 | 63.3 | 160 | 0 | 0 | 0 | 113.3 | F1017 D1018 N1023 Y1024 V1026 K1028 Y1036 V1038 M1057 | F1017-I1021 WeakPolarHBondContact O-CG1 3.22Å; F1017-I1021 WeakPolarHBondContact O-CG2 3.02Å; F1017-I1021 PolarHBondContact O-N 2.62Å; D1018-I1021 VanDerWaalsContact O-CG1 3.25Å; D1018-I1021 WeakPolarHBondContact O-CG1 3.45Å; D1018-I1021 PolarHBondContact O-N 3.05Å; I1021-N1023 PolarHBondContact O-N 2.96Å; I1021-N1023 VanDerWaalsContact O-N 3.08Å; I1021-Y1024 PolarHBondContact O-N 3.36Å; I1021-V1026 HydrophobicContact CB-CG2 3.82Å; I1021-V1026 HydrophobicContact CG2-CG2 4.34Å; I1021-K1028 HydrophobicContact CD1-CB 3.97Å; I1021-K1028 HydrophobicContact CD1-CD 4.38Å; I1021-Y1036 VanDerWaalsContact CD1-OH 3.23Å; I1021-Y1036 WeakPolarHBondContact CD1-OH 3.24Å; I1021-Y1036 HydrophobicContact CG2-CE1 4.24Å; I1021-V1038 HydrophobicContact CG2-CG2 4.49Å; I1021-M1057 HydrophobicContact CG2-CG 4.11Å; I1021-M1057 HydrophobicContact CG2-SD 3.71Å |
| 1022 | E | 88.5 | Confident | 85.3 | Confident | 164 Ų | 164 | 53 Ų | 53 | 77% | 0.766 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.2 | 174.8 | -81.8 | -177.6 | 176.5 | 0 | 0 | 113.2 | D1018 I1020 | D1018-E1022 WeakPolarHBondContact O-CG 3.32Å; D1018-E1022 PolarHBondContact O-N 2.83Å; I1020-E1022 PolarHBondContact O-N 3.42Å |
| 1023 | N | 89.9 | Confident | 84.6 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.4 | 179.7 | -58.8 | -56.7 | 0 | 0 | 0 | 114.5 | S1019 I1020 I1021 | S1019-N1023 PolarHBondContact O-ND2 2.96Å; I1020-N1023 PolarHBondContact O-N 3.46Å; I1020-N1023 VanDerWaalsContact O-N 3.15Å; I1021-N1023 PolarHBondContact O-N 2.96Å; I1021-N1023 VanDerWaalsContact O-N 3.08Å |
| 1024 | Y | 91.8 | Very high | 84.2 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -128.5 | 153.1 | -176 | -58.4 | -94.3 | 0 | 0 | 0 | 111 | I1020 I1021 V1026 R1056 M1057 A1060 | I1020-Y1024 HydrophobicContact CG2-CE2 3.82Å; I1020-Y1024 WeakPolarHBondContact O-CD2 3.47Å; I1020-Y1024 WeakPolarHBondContact O-CE2 3.41Å; I1021-Y1024 PolarHBondContact O-N 3.36Å; Y1024-V1026 PolarHBondContact O-N 3.29Å; Y1024-R1056 HydrophobicContact CD1-CB 4.29Å; Y1024-R1056 HydrophobicContact CE1-CB 3.8Å; Y1024-R1056 HydrophobicContact CE1-CG 3.77Å; Y1024-M1057 HydrophobicContact CD1-CB 3.98Å; Y1024-M1057 HydrophobicContact CD2-CB 4.17Å; Y1024-M1057 HydrophobicContact CD2-CG 4.23Å; Y1024-M1057 HydrophobicContact CE1-CB 4.24Å; Y1024-M1057 HydrophobicContact CE2-CB 4.45Å; Y1024-M1057 HydrophobicContact CG-CB 3.95Å; Y1024-M1057 HydrophobicContact CG-CG 4.4Å; Y1024-A1060 WeakPolarHBondContact OH-CB 3.39Å |
| 1025 | D | 91.4 | Very high | 83.9 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -78.7 | 72.4 | 175.7 | -178.3 | 37 | 0 | 0 | 0 | 110.6 | S1040 N1046 E1053 | D1025-S1040 WeakPolarHBondContact O-CB 2.94Å; D1025-S1040 PolarHBondContact O-OG 3.33Å; D1025-N1046 WeakPolarHBondContact OD2-CB 3.31Å; D1025-N1046 PolarHBondContact OD2-ND2 3.2Å; D1025-E1053 HydrophobicContact CB-CG 4.16Å; D1025-E1053 PolarHBondContact N-OE2 3.42Å |
| 1026 | V | 91.4 | Very high | 84 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | trans | -136.9 | 153.6 | -174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | I1021 Y1024 V1038 V1039 E1053 I1054 M1057 | I1021-V1026 HydrophobicContact CB-CG2 3.82Å; I1021-V1026 HydrophobicContact CG2-CG2 4.34Å; Y1024-V1026 PolarHBondContact O-N 3.29Å; V1026-V1038 HydrophobicContact CB-CG1 3.52Å; V1026-V1038 HydrophobicContact CG1-CG1 4.23Å; V1026-V1038 HydrophobicContact CG2-CG1 3.72Å; V1026-V1039 CarbonylContact C-O 3.53Å; V1026-V1039 WeakPolarHBondContact CA-O 3.31Å; V1026-E1053 HydrophobicContact CG1-CB 4.4Å; V1026-I1054 HydrophobicContact CG1-CD1 3.84Å; V1026-M1057 HydrophobicContact CB-SD 4.42Å; V1026-M1057 HydrophobicContact CG1-SD 4.08Å; V1026-M1057 HydrophobicContact CG2-SD 4.05Å | ||
| 1027 | Y | 89.4 | Confident | 84.3 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.2 | 176 | 179.1 | -103.4 | 0 | 0 | 0 | 110.5 | P944 V1029 V1038 V1039 Y1101 | P944-Y1027 HydrophobicContact CB-CD2 4.29Å; P944-Y1027 HydrophobicContact CB-CE2 3.86Å; P944-Y1027 VanDerWaalsContact CD-OH 3.28Å; P944-Y1027 WeakPolarHBondContact CD-OH 3.46Å; P944-Y1027 HydrophobicContact CG-CD2 4.18Å; P944-Y1027 HydrophobicContact CG-CE1 4.2Å; P944-Y1027 HydrophobicContact CG-CE2 3.48Å; P944-Y1027 VanDerWaalsContact CG-CE2 3.48Å; Y1027-V1029 HydrophobicContact CD1-CG2 4.11Å; Y1027-V1029 HydrophobicContact CE1-CG2 4.39Å; Y1027-V1029 PolarHBondContact O-N 3.5Å; Y1027-V1038 WeakPolarHBondContact O-CA 3.19Å; Y1027-V1039 HydrophobicContact CD1-CG1 4.23Å; Y1027-V1039 PolarHBondContact N-O 3.48Å; Y1027-V1039 PolarHBondContact O-N 2.79Å; Y1027-Y1101 AromaticContact CE1-CD1 3.94Å; Y1027-Y1101 HydrophobicContact CE1-CD1 3.94Å |
| 1028 | K | 89.2 | Confident | 84.4 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 27% | 0.274 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.6 | 172.6 | -179.5 | -179.1 | -177.4 | 169.3 | 0 | 108.6 | D1018 I1021 Y1036 | D1018-K1028 VanDerWaalsContact CG-NZ 3.26Å; D1018-K1028 WeakPolarHBondContact OD1-CD 3.45Å; D1018-K1028 IonicContact OD1-NZ 3.22Å; D1018-K1028 PolarHBondContact OD1-NZ 3.35Å; D1018-K1028 IonicContact OD2-NZ 2.74Å; D1018-K1028 PolarHBondContact OD2-NZ 3.22Å; I1021-K1028 HydrophobicContact CD1-CB 3.97Å; I1021-K1028 HydrophobicContact CD1-CD 4.38Å; K1028-Y1036 HydrophobicContact CD-CE2 4.17Å; K1028-Y1036 HydrophobicContact CG-CE2 4.49Å |
| 1029 | V | 84 | Confident | 84.7 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -70.8 | -176.3 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | Y1027 M1037 V1039 L1103 | Y1027-V1029 HydrophobicContact CD1-CG2 4.11Å; Y1027-V1029 HydrophobicContact CE1-CG2 4.39Å; Y1027-V1029 PolarHBondContact O-N 3.5Å; V1029-M1037 HydrophobicContact CB-CE 4.42Å; V1029-M1037 HydrophobicContact CB-CG 4.21Å; V1029-M1037 HydrophobicContact CB-SD 3.98Å; V1029-M1037 HydrophobicContact CG1-CE 4.35Å; V1029-M1037 HydrophobicContact CG1-SD 3.99Å; V1029-M1037 HydrophobicContact CG2-CE 4.22Å; V1029-M1037 HydrophobicContact CG2-CG 4.42Å; V1029-M1037 HydrophobicContact CG2-SD 4.38Å; V1029-M1037 PolarHBondContact N-O 3.39Å; V1029-M1037 VanDerWaalsContact N-O 3.15Å; V1029-V1039 HydrophobicContact CG2-CB 4.21Å; V1029-V1039 HydrophobicContact CG2-CG1 3.52Å; V1029-L1103 HydrophobicContact CB-CD1 4.18Å; V1029-L1103 HydrophobicContact CG1-CD1 3.56Å; V1029-L1103 HydrophobicContact CG2-CD1 3.5Å; V1029-L1103 HydrophobicContact CG2-CD2 4.3Å |
| 1030 | E | 75.5 | Confident | 85 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 160.4 | 177.2 | -68.9 | -168.9 | -158.1 | 0 | 0 | 108.7 | M1037 R1100 | E1030-M1037 WeakPolarHBondContact O-CB 3.06Å; E1030-M1037 PolarHBondContact O-N 2.73Å; E1030-R1100 VanDerWaalsContact OE1-CD 3.27Å; E1030-R1100 WeakPolarHBondContact OE1-CD 3.46Å; E1030-R1100 IonicContact OE1-NH1 2.66Å; E1030-R1100 IonicContact OE2-CZ 3.65Å; E1030-R1100 IonicContact OE2-NH1 2.98Å; E1030-R1100 PolarHBondContact OE2-NH1 3.39Å |
| 1031 | T | 66.8 | Low | 85 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 36% | 0.362 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.2 | 162.2 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | Y1014 A1035 Y1036 | Y1014-T1031 HydrophobicContact CD1-CG2 4.43Å; Y1014-T1031 HydrophobicContact CE1-CG2 4.04Å; Y1014-T1031 HydrophobicContact CE2-CG2 4.42Å; T1031-A1035 WeakPolarHBondContact CA-O 3.2Å; T1031-Y1036 HydrophobicContact CG2-CD2 3.82Å; T1031-Y1036 HydrophobicContact CG2-CE2 4.18Å |
| 1032 | I | 62.7 | Low | 85 | Confident | 101 Ų | 101 | 42.4 Ų | 42.4 | 52% | 0.518 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 98.5 | 179.1 | -57.2 | 176.1 | 0 | 0 | 0 | 107.6 | D1034 A1035 | I1032-D1034 PolarHBondContact O-N 2.89Å; I1032-A1035 PolarHBondContact N-O 2.84Å; I1032-A1035 VanDerWaalsContact O-CB 3.23Å; I1032-A1035 WeakPolarHBondContact O-CB 3.47Å; I1032-A1035 PolarHBondContact O-N 3.4Å |
| 1033 | G | 66.7 | Low | 84.8 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 66% | 0.66 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | -124.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1014 A1035 | Y1014-G1033 PolarHBondContact OH-O 3.17Å; G1033-A1035 VanDerWaalsContact C-N 3.35Å |
| 1034 | D | 74.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.9 | 170.5 | 54 | -35 | 0 | 0 | 0 | 113.8 | D971 I972 F975 I1032 | D971-D1034 VanDerWaalsContact OD1-OD2 3.08Å; I972-D1034 HydrophobicContact CB-CB 4.45Å; I972-D1034 HydrophobicContact CD1-CB 4.23Å; I972-D1034 HydrophobicContact CG1-CB 4.49Å; F975-D1034 HydrophobicContact CB-CB 4.03Å; F975-D1034 WeakPolarHBondContact CB-OD2 3.12Å; F975-D1034 HydrophobicContact CD1-CB 3.41Å; F975-D1034 VanDerWaalsContact CD1-CB 3.41Å; F975-D1034 HydrophobicContact CD2-CB 3.97Å; F975-D1034 HydrophobicContact CE1-CB 3.77Å; F975-D1034 HydrophobicContact CE2-CB 4.31Å; F975-D1034 HydrophobicContact CG-CB 3.51Å; F975-D1034 WeakPolarHBondContact CG-OD2 3.43Å; F975-D1034 HydrophobicContact CZ-CB 4.21Å; I1032-D1034 PolarHBondContact O-N 2.89Å |
| 1035 | A | 80.9 | Confident | 84.6 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 136 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S970 T1031 I1032 G1033 | S970-A1035 CarbonylContact O-C 3.52Å; S970-A1035 WeakPolarHBondContact O-CA 3.47Å; S970-A1035 WeakPolarHBondContact O-CB 3.09Å; T1031-A1035 WeakPolarHBondContact CA-O 3.2Å; I1032-A1035 PolarHBondContact N-O 2.84Å; I1032-A1035 VanDerWaalsContact O-CB 3.23Å; I1032-A1035 WeakPolarHBondContact O-CB 3.47Å; I1032-A1035 PolarHBondContact O-N 3.4Å; G1033-A1035 VanDerWaalsContact C-N 3.35Å |
| 1036 | Y | 88 | Confident | 84.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113 | 178.1 | -163 | -103.8 | 0 | 0 | 0 | 110.3 | Y968 S970 Y1014 F1017 D1018 I1021 K1028 T1031 V1038 | Y968-Y1036 HydrophobicContact CE1-CD1 4.27Å; S970-Y1036 PolarHBondContact N-O 3.28Å; S970-Y1036 VanDerWaalsContact N-O 3.15Å; S970-Y1036 PolarHBondContact O-N 2.8Å; S970-Y1036 WeakPolarHBondContact OG-CB 3.36Å; S970-Y1036 PolarHBondContact OG-O 3.49Å; Y1014-Y1036 AromaticContact CD1-CD2 3.64Å; Y1014-Y1036 HydrophobicContact CD1-CD2 3.64Å; Y1014-Y1036 AromaticContact CD1-CE2 3.9Å; Y1014-Y1036 HydrophobicContact CD1-CE2 3.9Å; Y1014-Y1036 AromaticContact CE1-CD2 3.69Å; Y1014-Y1036 HydrophobicContact CE1-CD2 3.69Å; Y1014-Y1036 HydrophobicContact CE1-CE2 4.38Å; F1017-Y1036 HydrophobicContact CB-CE1 4.03Å; F1017-Y1036 HydrophobicContact CB-CE2 4.25Å; F1017-Y1036 AromaticContact CD2-CD1 3.91Å; F1017-Y1036 HydrophobicContact CD2-CD1 3.91Å; F1017-Y1036 HydrophobicContact CD2-CD2 4.06Å; F1017-Y1036 HydrophobicContact CD2-CE1 4.19Å; F1017-Y1036 HydrophobicContact CD2-CE2 4.33Å; F1017-Y1036 AromaticContact CD2-CG 3.84Å; F1017-Y1036 HydrophobicContact CD2-CG 3.84Å; F1017-Y1036 HydrophobicContact CE2-CG 4.45Å; D1018-Y1036 PolarHBondContact OD1-OH 3.06Å; I1021-Y1036 VanDerWaalsContact CD1-OH 3.23Å; I1021-Y1036 WeakPolarHBondContact CD1-OH 3.24Å; I1021-Y1036 HydrophobicContact CG2-CE1 4.24Å; K1028-Y1036 HydrophobicContact CD-CE2 4.17Å; K1028-Y1036 HydrophobicContact CG-CE2 4.49Å; T1031-Y1036 HydrophobicContact CG2-CD2 3.82Å; T1031-Y1036 HydrophobicContact CG2-CE2 4.18Å; Y1036-V1038 HydrophobicContact CD1-CG2 3.62Å; Y1036-V1038 HydrophobicContact CE1-CG2 3.35Å |
| 1037 | M | 91.4 | Very high | 84.5 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.1 | -176.1 | -174 | -173.4 | 175.1 | 0 | 0 | 111.5 | I967 Y968 F969 V1029 E1030 L1103 V1108 | I967-M1037 HydrophobicContact CD1-CE 4.38Å; I967-M1037 HydrophobicContact CG2-CE 3.77Å; I967-M1037 HydrophobicContact CG2-CG 4.35Å; Y968-M1037 WeakPolarHBondContact O-CA 3.32Å; F969-M1037 HydrophobicContact CD1-CB 4.39Å; F969-M1037 HydrophobicContact CD1-CG 4.41Å; F969-M1037 HydrophobicContact CD2-CG 4.5Å; F969-M1037 HydrophobicContact CE1-CB 4.09Å; F969-M1037 HydrophobicContact CE1-CG 3.94Å; F969-M1037 HydrophobicContact CE1-SD 3.98Å; F969-M1037 HydrophobicContact CE2-CE 3.97Å; F969-M1037 HydrophobicContact CE2-CG 4.06Å; F969-M1037 HydrophobicContact CE2-SD 4.1Å; F969-M1037 HydrophobicContact CZ-CB 4.41Å; F969-M1037 HydrophobicContact CZ-CE 3.87Å; F969-M1037 HydrophobicContact CZ-CG 3.75Å; F969-M1037 HydrophobicContact CZ-SD 3.47Å; F969-M1037 WeakPolarHBondContact CZ-SD 3.23Å; V1029-M1037 HydrophobicContact CB-CE 4.42Å; V1029-M1037 HydrophobicContact CB-CG 4.21Å; V1029-M1037 HydrophobicContact CB-SD 3.98Å; V1029-M1037 HydrophobicContact CG1-CE 4.35Å; V1029-M1037 HydrophobicContact CG1-SD 3.99Å; V1029-M1037 HydrophobicContact CG2-CE 4.22Å; V1029-M1037 HydrophobicContact CG2-CG 4.42Å; V1029-M1037 HydrophobicContact CG2-SD 4.38Å; V1029-M1037 PolarHBondContact N-O 3.39Å; V1029-M1037 VanDerWaalsContact N-O 3.15Å; E1030-M1037 WeakPolarHBondContact O-CB 3.06Å; E1030-M1037 PolarHBondContact O-N 2.73Å; M1037-L1103 HydrophobicContact CE-CB 4.46Å; M1037-L1103 HydrophobicContact CE-CD2 4.2Å; M1037-V1108 HydrophobicContact CE-CG1 4.01Å; M1037-V1108 HydrophobicContact CE-CG2 4.44Å |
| 1038 | V | 92.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.4 | -180 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | Y968 I1021 V1026 Y1027 Y1036 I1054 M1057 | Y968-V1038 WeakPolarHBondContact CB-O 2.79Å; Y968-V1038 HydrophobicContact CD1-CB 4.12Å; Y968-V1038 HydrophobicContact CD1-CG2 4.17Å; Y968-V1038 PolarHBondContact N-O 3.47Å; Y968-V1038 PolarHBondContact O-N 3.27Å; I1021-V1038 HydrophobicContact CG2-CG2 4.49Å; V1026-V1038 HydrophobicContact CB-CG1 3.52Å; V1026-V1038 HydrophobicContact CG1-CG1 4.23Å; V1026-V1038 HydrophobicContact CG2-CG1 3.72Å; Y1027-V1038 WeakPolarHBondContact O-CA 3.19Å; Y1036-V1038 HydrophobicContact CD1-CG2 3.62Å; Y1036-V1038 HydrophobicContact CE1-CG2 3.35Å; V1038-I1054 HydrophobicContact CG1-CD1 4.12Å; V1038-M1057 HydrophobicContact CB-CE 4.12Å; V1038-M1057 HydrophobicContact CB-SD 4.18Å; V1038-M1057 HydrophobicContact CG1-CE 4.17Å; V1038-M1057 HydrophobicContact CG1-SD 3.68Å; V1038-M1057 HydrophobicContact CG2-CE 4.5Å; V1038-M1057 HydrophobicContact CG2-SD 4.37Å |
| 1039 | V | 93.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147 | -180 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | V965 T966 I967 V1026 Y1027 V1029 L1042 L1103 | V965-V1039 HydrophobicContact CB-CG2 4Å; V965-V1039 HydrophobicContact CG2-CG2 4.15Å; T966-V1039 WeakPolarHBondContact O-CA 3.24Å; I967-V1039 HydrophobicContact CG1-CG2 3.96Å; V1026-V1039 CarbonylContact C-O 3.53Å; V1026-V1039 WeakPolarHBondContact CA-O 3.31Å; Y1027-V1039 HydrophobicContact CD1-CG1 4.23Å; Y1027-V1039 PolarHBondContact N-O 3.48Å; Y1027-V1039 PolarHBondContact O-N 2.79Å; V1029-V1039 HydrophobicContact CG2-CB 4.21Å; V1029-V1039 HydrophobicContact CG2-CG1 3.52Å; V1039-L1042 HydrophobicContact CB-CD1 4.47Å; V1039-L1042 HydrophobicContact CG1-CD1 3.39Å; V1039-L1042 HydrophobicContact CG1-CG 3.96Å; V1039-L1042 HydrophobicContact CG2-CD1 4.26Å; V1039-L1042 HydrophobicContact CG2-CD2 4.18Å; V1039-L1042 HydrophobicContact CG2-CG 3.88Å; V1039-L1103 HydrophobicContact CB-CD2 4.16Å; V1039-L1103 HydrophobicContact CG1-CD2 4.1Å; V1039-L1103 HydrophobicContact CG2-CD2 3.96Å |
| 1040 | S | 94.8 | Very high | 85 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 152.2 | 168.2 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | V965 T966 D1025 N1046 H1050 | V965-S1040 WeakPolarHBondContact CB-O 3.44Å; T966-S1040 PolarHBondContact N-O 3.24Å; T966-S1040 PolarHBondContact O-N 3.4Å; D1025-S1040 WeakPolarHBondContact O-CB 2.94Å; D1025-S1040 PolarHBondContact O-OG 3.33Å; S1040-N1046 PolarHBondContact OG-ND2 3.12Å; S1040-H1050 VanDerWaalsContact O-CB 3.28Å; S1040-H1050 WeakPolarHBondContact O-CB 3.14Å; S1040-H1050 WeakPolarHBondContact OG-CA 3.24Å |
| 1041 | G | 91.8 | Very high | 85.9 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 94.4 | -0.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1044 R1045 N1046 | G1041-R1044 CarbonylContact C-O 3.56Å; G1041-R1044 CarbonylContact O-C 3.54Å; G1041-R1045 WeakPolarHBondContact O-CA 3.38Å; G1041-N1046 WeakPolarHBondContact CA-OD1 3.23Å |
| 1042 | L | 89.5 | Confident | 87.1 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -146.9 | 156.2 | 170.7 | 65.7 | 73.7 | 0 | 0 | 0 | 111.5 | F962 V965 V1039 R1044 V1089 A1091 Y1101 L1103 | F962-L1042 HydrophobicContact CD1-CB 3.82Å; F962-L1042 HydrophobicContact CD2-CB 4.11Å; F962-L1042 HydrophobicContact CD2-CD2 4.05Å; F962-L1042 HydrophobicContact CE1-CB 3.69Å; F962-L1042 HydrophobicContact CE2-CB 3.99Å; F962-L1042 HydrophobicContact CE2-CD2 4.38Å; F962-L1042 HydrophobicContact CG-CB 4.05Å; F962-L1042 HydrophobicContact CG-CD2 4.36Å; F962-L1042 HydrophobicContact CZ-CB 3.8Å; V965-L1042 HydrophobicContact CG1-CB 4.28Å; V965-L1042 HydrophobicContact CG1-CD2 3.91Å; V965-L1042 HydrophobicContact CG1-CG 4.15Å; V1039-L1042 HydrophobicContact CB-CD1 4.47Å; V1039-L1042 HydrophobicContact CG1-CD1 3.39Å; V1039-L1042 HydrophobicContact CG1-CG 3.96Å; V1039-L1042 HydrophobicContact CG2-CD1 4.26Å; V1039-L1042 HydrophobicContact CG2-CD2 4.18Å; V1039-L1042 HydrophobicContact CG2-CG 3.88Å; L1042-R1044 PolarHBondContact N-O 3.35Å; L1042-V1089 HydrophobicContact CD2-CG1 3.46Å; L1042-V1089 VanDerWaalsContact CD2-CG1 3.46Å; L1042-A1091 HydrophobicContact CD2-CB 4.22Å; L1042-Y1101 HydrophobicContact CD1-CE1 4.09Å; L1042-L1103 HydrophobicContact CD1-CD1 4.34Å; L1042-L1103 HydrophobicContact CD1-CD2 4.33Å; L1042-L1103 HydrophobicContact CD2-CD2 3.71Å; L1042-L1103 HydrophobicContact CD2-CG 4.03Å; L1042-L1103 HydrophobicContact CG-CD2 4.5Å |
| 1043 | P | 84.7 | Confident | 88.6 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | S | Bend | cis | -69.5 | -11.5 | -5.8 | 32.2 | -37.7 | 0 | 0 | 0 | 113 | P944 Y1101 | P944-P1043 HydrophobicContact CB-CG 3.75Å; P944-P1043 HydrophobicContact CG-CG 4.25Å; P1043-Y1101 HydrophobicContact CB-CE1 4.25Å |
| 1044 | R | 87.4 | Confident | 90 | Very high | 193 Ų | 193 | 34.5 Ų | 34.5 | 73% | 0.728 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -96.5 | 124.8 | 173.5 | -63.2 | -175.9 | 71.9 | -158.7 | 0.9 | 109.9 | G1041 L1042 | G1041-R1044 CarbonylContact C-O 3.56Å; G1041-R1044 CarbonylContact O-C 3.54Å; L1042-R1044 PolarHBondContact N-O 3.35Å |
| 1045 | R | 90.5 | Very high | 91 | Very high | 119 Ų | 119 | 33.1 Ų | 33.1 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | trans | -70.6 | 130 | 174.4 | -62.7 | 175 | -173.3 | -108.3 | -0.3 | 109.8 | E960 A961 F962 D963 G1041 | E960-R1045 IonicContact OE1-CZ 3.85Å; E960-R1045 IonicContact OE1-NE 2.69Å; E960-R1045 PolarHBondContact OE1-NE 2.8Å; E960-R1045 IonicContact OE1-NH2 3.21Å; E960-R1045 PolarHBondContact OE1-NH2 3.05Å; A961-R1045 PolarHBondContact O-NH2 2.97Å; F962-R1045 HydrophobicContact CD1-CG 3.87Å; F962-R1045 HydrophobicContact CE1-CG 3.99Å; D963-R1045 IonicContact OD2-NH1 3.86Å; D963-R1045 PolarHBondContact OD2-NH1 3.49Å; G1041-R1045 WeakPolarHBondContact O-CA 3.38Å | ||
| 1046 | N | 91.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | trans | -123.9 | 28.9 | -179.2 | 65.4 | 3.8 | 0 | 0 | 0 | 113.1 | D1025 S1040 G1041 V1048 A1049 H1050 | D1025-N1046 WeakPolarHBondContact OD2-CB 3.31Å; D1025-N1046 PolarHBondContact OD2-ND2 3.2Å; S1040-N1046 PolarHBondContact OG-ND2 3.12Å; G1041-N1046 WeakPolarHBondContact CA-OD1 3.23Å; N1046-V1048 PolarHBondContact O-N 2.96Å; N1046-A1049 HydrophobicContact CB-CB 4.43Å; N1046-A1049 VanDerWaalsContact O-CB 3.25Å; N1046-A1049 WeakPolarHBondContact O-CB 3.48Å; N1046-A1049 PolarHBondContact O-N 3.2Å; N1046-A1049 VanDerWaalsContact O-N 3.16Å; N1046-H1050 VanDerWaalsContact OD1-CB 3.3Å; N1046-H1050 WeakPolarHBondContact OD1-CB 3.09Å; N1046-H1050 PolarHBondContact OD1-N 3.28Å; N1046-H1050 VanDerWaalsContact OD1-N 3.15Å | ||
| 1047 | G | 88.8 | Confident | 91.9 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 62% | 0.619 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | -125.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1050 | G1047-H1050 PolarHBondContact O-CD2 3.48Å; G1047-H1050 PolarHBondContact O-NE2 3.11Å |
| 1048 | V | 86.4 | Confident | 92 | Very high | 77 Ų | 77 | 35.7 Ų | 35.7 | 47% | 0.467 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -2.8 | 174.1 | -65.7 | 0 | 0 | 0 | 0 | 113 | N1046 H1050 A1051 L1136 | N1046-V1048 PolarHBondContact O-N 2.96Å; V1048-H1050 PolarHBondContact O-N 2.94Å; V1048-A1051 PolarHBondContact O-N 2.92Å; V1048-L1136 HydrophobicContact CG2-CD2 4.35Å |
| 1049 | A | 91.4 | Very high | 92 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68 | -19.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1046 A1051 Y1052 E1053 | N1046-A1049 HydrophobicContact CB-CB 4.43Å; N1046-A1049 VanDerWaalsContact O-CB 3.25Å; N1046-A1049 WeakPolarHBondContact O-CB 3.48Å; N1046-A1049 PolarHBondContact O-N 3.2Å; N1046-A1049 VanDerWaalsContact O-N 3.16Å; A1049-A1051 VanDerWaalsContact C-N 3.25Å; A1049-A1051 PolarHBondContact O-N 3.42Å; A1049-Y1052 WeakPolarHBondContact O-CA 3.1Å; A1049-Y1052 VanDerWaalsContact O-CB 3.3Å; A1049-Y1052 WeakPolarHBondContact O-CB 3.23Å; A1049-Y1052 PolarHBondContact O-N 2.97Å; A1049-E1053 PolarHBondContact O-N 3.36Å |
| 1050 | H | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56 | -37.2 | 177.3 | 56.6 | 86 | 0 | 0 | 0 | 113.8 | C964 T966 S1040 N1046 G1047 V1048 I1054 | C964-H1050 VanDerWaalsContact SG-CE1 3.51Å; T966-H1050 PolarHBondContact N-ND1 2.86Å; T966-H1050 PolarHBondContact OG1-ND1 3.03Å; S1040-H1050 VanDerWaalsContact O-CB 3.28Å; S1040-H1050 WeakPolarHBondContact O-CB 3.14Å; S1040-H1050 WeakPolarHBondContact OG-CA 3.24Å; N1046-H1050 VanDerWaalsContact OD1-CB 3.3Å; N1046-H1050 WeakPolarHBondContact OD1-CB 3.09Å; N1046-H1050 PolarHBondContact OD1-N 3.28Å; N1046-H1050 VanDerWaalsContact OD1-N 3.15Å; G1047-H1050 PolarHBondContact O-CD2 3.48Å; G1047-H1050 PolarHBondContact O-NE2 3.11Å; V1048-H1050 PolarHBondContact O-N 2.94Å; H1050-I1054 WeakPolarHBondContact O-CB 2.97Å; H1050-I1054 VanDerWaalsContact O-CG1 3.32Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.07Å; H1050-I1054 PolarHBondContact O-N 3.13Å |
| 1051 | A | 94.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T966 V1048 A1049 A1055 L1132 L1133 | T966-A1051 VanDerWaalsContact OG1-CA 3.32Å; T966-A1051 WeakPolarHBondContact OG1-CA 3.43Å; T966-A1051 PolarHBondContact OG1-N 3.26Å; V1048-A1051 PolarHBondContact O-N 2.92Å; A1049-A1051 VanDerWaalsContact C-N 3.25Å; A1049-A1051 PolarHBondContact O-N 3.42Å; A1051-A1055 VanDerWaalsContact O-CB 3.32Å; A1051-A1055 WeakPolarHBondContact O-CB 3.35Å; A1051-A1055 PolarHBondContact O-N 3.34Å; A1051-L1132 HydrophobicContact CB-CB 3.74Å; A1051-L1132 HydrophobicContact CB-CD1 4.11Å; A1051-L1133 HydrophobicContact CB-CD2 4.02Å; A1051-L1133 HydrophobicContact CB-CG 4.49Å; A1051-L1133 WeakPolarHBondContact O-CD2 3.17Å |
| 1052 | Y | 93 | Very high | 91.8 | Very high | 79 Ų | 79 | 39.1 Ų | 39.1 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 177.2 | -176.2 | -101.9 | 0 | 0 | 0 | 112.3 | A1049 A1055 R1056 L1136 F1139 | A1049-Y1052 WeakPolarHBondContact O-CA 3.1Å; A1049-Y1052 VanDerWaalsContact O-CB 3.3Å; A1049-Y1052 WeakPolarHBondContact O-CB 3.23Å; A1049-Y1052 PolarHBondContact O-N 2.97Å; Y1052-A1055 PolarHBondContact O-N 2.86Å; Y1052-R1056 PolarHBondContact O-N 2.91Å; Y1052-L1136 HydrophobicContact CD2-CD1 4.24Å; Y1052-L1136 HydrophobicContact CG-CD1 4.45Å; Y1052-F1139 AromaticContact CD2-CE2 3.53Å; Y1052-F1139 HydrophobicContact CD2-CE2 3.53Å; Y1052-F1139 AromaticContact CD2-CZ 3.98Å; Y1052-F1139 HydrophobicContact CD2-CZ 3.98Å; Y1052-F1139 AromaticContact CE2-CE2 3.93Å; Y1052-F1139 HydrophobicContact CE2-CE2 3.93Å; Y1052-F1139 HydrophobicContact CE2-CZ 4.09Å; Y1052-F1139 HydrophobicContact CG-CE2 4.37Å |
| 1053 | E | 94.4 | Very high | 91.8 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | -176.8 | -70.7 | -64 | 135 | 0 | 0 | 111.5 | D1025 V1026 A1049 A1055 R1056 M1057 | D1025-E1053 HydrophobicContact CB-CG 4.16Å; D1025-E1053 PolarHBondContact N-OE2 3.42Å; V1026-E1053 HydrophobicContact CG1-CB 4.4Å; A1049-E1053 PolarHBondContact O-N 3.36Å; E1053-A1055 PolarHBondContact O-N 3.14Å; E1053-R1056 PolarHBondContact O-N 3.01Å; E1053-R1056 IonicContact OE1-CZ 2.68Å; E1053-R1056 IonicContact OE1-NH1 3.53Å; E1053-R1056 PolarHBondContact OE1-NH1 3.43Å; E1053-R1056 IonicContact OE2-CZ 2.84Å; E1053-R1056 IonicContact OE2-NH1 3.36Å; E1053-R1056 PolarHBondContact OE2-NH1 2.55Å; E1053-R1056 IonicContact OE2-NH2 2.75Å; E1053-M1057 VanDerWaalsContact O-CB 3.25Å; E1053-M1057 WeakPolarHBondContact O-CB 3.48Å; E1053-M1057 PolarHBondContact O-N 3.36Å |
| 1054 | I | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 177 | -67.7 | -69.6 | 0 | 0 | 0 | 111.5 | T966 Y968 V1026 V1038 H1050 M1057 S1058 I1084 | T966-I1054 HydrophobicContact CG2-CB 3.76Å; T966-I1054 HydrophobicContact CG2-CG1 3.95Å; T966-I1054 HydrophobicContact CG2-CG2 3.73Å; Y968-I1054 HydrophobicContact CD2-CG2 4.49Å; V1026-I1054 HydrophobicContact CG1-CD1 3.84Å; V1038-I1054 HydrophobicContact CG1-CD1 4.12Å; H1050-I1054 WeakPolarHBondContact O-CB 2.97Å; H1050-I1054 VanDerWaalsContact O-CG1 3.32Å; H1050-I1054 WeakPolarHBondContact O-CG1 3.07Å; H1050-I1054 PolarHBondContact O-N 3.13Å; I1054-M1057 HydrophobicContact CD1-CE 3.94Å; I1054-M1057 HydrophobicContact CD1-SD 4.4Å; I1054-M1057 HydrophobicContact CG2-CE 4.48Å; I1054-S1058 VanDerWaalsContact O-CB 3.28Å; I1054-S1058 WeakPolarHBondContact O-CB 3.4Å; I1054-S1058 PolarHBondContact O-N 3.24Å; I1054-S1058 PolarHBondContact O-OG 2.81Å; I1054-I1084 HydrophobicContact CG2-CD1 4.1Å; I1054-I1084 HydrophobicContact CG2-CG1 4.31Å; I1054-I1084 HydrophobicContact CG2-CG2 3.83Å |
| 1055 | A | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1051 Y1052 E1053 S1058 L1059 L1133 F1139 L1160 | A1051-A1055 VanDerWaalsContact O-CB 3.32Å; A1051-A1055 WeakPolarHBondContact O-CB 3.35Å; A1051-A1055 PolarHBondContact O-N 3.34Å; Y1052-A1055 PolarHBondContact O-N 2.86Å; E1053-A1055 PolarHBondContact O-N 3.14Å; A1055-S1058 PolarHBondContact O-N 2.94Å; A1055-L1059 PolarHBondContact O-N 3.2Å; A1055-L1133 HydrophobicContact CB-CD1 4.17Å; A1055-L1133 HydrophobicContact CB-CD2 3.72Å; A1055-F1139 HydrophobicContact CB-CD1 4.24Å; A1055-F1139 HydrophobicContact CB-CD2 4.32Å; A1055-F1139 HydrophobicContact CB-CE1 3.77Å; A1055-F1139 HydrophobicContact CB-CE2 3.85Å; A1055-F1139 HydrophobicContact CB-CG 4.49Å; A1055-F1139 HydrophobicContact CB-CZ 3.55Å; A1055-L1160 HydrophobicContact CB-CD2 3.8Å |
| 1056 | R | 93.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.7 | -45 | 177.1 | -156.7 | 178 | 82.8 | -122 | -0.2 | 111.6 | Y1024 Y1052 E1053 S1058 L1059 A1060 F1139 | Y1024-R1056 HydrophobicContact CD1-CB 4.29Å; Y1024-R1056 HydrophobicContact CE1-CB 3.8Å; Y1024-R1056 HydrophobicContact CE1-CG 3.77Å; Y1052-R1056 PolarHBondContact O-N 2.91Å; E1053-R1056 PolarHBondContact O-N 3.01Å; E1053-R1056 IonicContact OE1-CZ 2.68Å; E1053-R1056 IonicContact OE1-NH1 3.53Å; E1053-R1056 PolarHBondContact OE1-NH1 3.43Å; E1053-R1056 IonicContact OE2-CZ 2.84Å; E1053-R1056 IonicContact OE2-NH1 3.36Å; E1053-R1056 PolarHBondContact OE2-NH1 2.55Å; E1053-R1056 IonicContact OE2-NH2 2.75Å; R1056-S1058 PolarHBondContact O-N 2.59Å; R1056-L1059 PolarHBondContact O-N 3Å; R1056-A1060 PolarHBondContact O-N 2.92Å; R1056-F1139 HydrophobicContact CB-CZ 4.42Å |
| 1057 | M | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 175 | -180 | -155.7 | 71.7 | 0 | 0 | 111.6 | Y968 I1021 Y1024 V1026 V1038 E1053 I1054 L1059 A1060 L1061 | Y968-M1057 HydrophobicContact CD1-CE 3.96Å; Y968-M1057 HydrophobicContact CD2-CE 3.51Å; Y968-M1057 HydrophobicContact CE1-CE 4.38Å; Y968-M1057 HydrophobicContact CE2-CE 3.94Å; Y968-M1057 HydrophobicContact CG-CE 3.51Å; I1021-M1057 HydrophobicContact CG2-CG 4.11Å; I1021-M1057 HydrophobicContact CG2-SD 3.71Å; Y1024-M1057 HydrophobicContact CD1-CB 3.98Å; Y1024-M1057 HydrophobicContact CD2-CB 4.17Å; Y1024-M1057 HydrophobicContact CD2-CG 4.23Å; Y1024-M1057 HydrophobicContact CE1-CB 4.24Å; Y1024-M1057 HydrophobicContact CE2-CB 4.45Å; Y1024-M1057 HydrophobicContact CG-CB 3.95Å; Y1024-M1057 HydrophobicContact CG-CG 4.4Å; V1026-M1057 HydrophobicContact CB-SD 4.42Å; V1026-M1057 HydrophobicContact CG1-SD 4.08Å; V1026-M1057 HydrophobicContact CG2-SD 4.05Å; V1038-M1057 HydrophobicContact CB-CE 4.12Å; V1038-M1057 HydrophobicContact CB-SD 4.18Å; V1038-M1057 HydrophobicContact CG1-CE 4.17Å; V1038-M1057 HydrophobicContact CG1-SD 3.68Å; V1038-M1057 HydrophobicContact CG2-CE 4.5Å; V1038-M1057 HydrophobicContact CG2-SD 4.37Å; E1053-M1057 VanDerWaalsContact O-CB 3.25Å; E1053-M1057 WeakPolarHBondContact O-CB 3.48Å; E1053-M1057 PolarHBondContact O-N 3.36Å; I1054-M1057 HydrophobicContact CD1-CE 3.94Å; I1054-M1057 HydrophobicContact CD1-SD 4.4Å; I1054-M1057 HydrophobicContact CG2-CE 4.48Å; M1057-L1059 VanDerWaalsContact C-N 3.35Å; M1057-L1059 PolarHBondContact O-N 3.49Å; M1057-A1060 PolarHBondContact O-N 3.09Å; M1057-L1061 HydrophobicContact CE-CD1 3.97Å; M1057-L1061 HydrophobicContact CG-CD1 3.96Å; M1057-L1061 HydrophobicContact CG-CG 4.31Å; M1057-L1061 WeakPolarHBondContact O-CG 3.1Å; M1057-L1061 PolarHBondContact O-N 3.2Å; M1057-L1061 HydrophobicContact SD-CD1 4.19Å |
| 1058 | S | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | -178.3 | -59 | 0 | 0 | 0 | 0 | 112.3 | Y968 I1054 A1055 R1056 L1062 I1084 | Y968-S1058 WeakPolarHBondContact CD2-OG 3.42Å; Y968-S1058 WeakPolarHBondContact CE2-OG 3.21Å; I1054-S1058 VanDerWaalsContact O-CB 3.28Å; I1054-S1058 WeakPolarHBondContact O-CB 3.4Å; I1054-S1058 PolarHBondContact O-N 3.24Å; I1054-S1058 PolarHBondContact O-OG 2.81Å; A1055-S1058 PolarHBondContact O-N 2.94Å; R1056-S1058 PolarHBondContact O-N 2.59Å; S1058-L1062 VanDerWaalsContact O-CB 3.3Å; S1058-L1062 WeakPolarHBondContact O-CB 3.47Å; S1058-L1062 PolarHBondContact O-N 2.8Å; S1058-I1084 VanDerWaalsContact OG-CD1 3.31Å; S1058-I1084 WeakPolarHBondContact OG-CD1 3.16Å |
| 1059 | L | 93.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.9 | -71.3 | 169.9 | 0 | 0 | 0 | 111.6 | A1055 R1056 M1057 L1062 A1063 I1123 F1139 L1160 T1163 | A1055-L1059 PolarHBondContact O-N 3.2Å; R1056-L1059 PolarHBondContact O-N 3Å; M1057-L1059 VanDerWaalsContact C-N 3.35Å; M1057-L1059 PolarHBondContact O-N 3.49Å; L1059-L1062 PolarHBondContact O-N 3.25Å; L1059-A1063 WeakPolarHBondContact O-CB 3.39Å; L1059-A1063 PolarHBondContact O-N 2.75Å; L1059-I1123 HydrophobicContact CD2-CD1 3.79Å; L1059-I1123 HydrophobicContact CG-CD1 4.17Å; L1059-F1139 HydrophobicContact CD1-CD1 4.1Å; L1059-F1139 HydrophobicContact CD1-CE1 3.98Å; L1059-L1160 HydrophobicContact CD1-CD2 4.43Å; L1059-L1160 HydrophobicContact CD2-CD2 4.49Å; L1059-L1160 HydrophobicContact CD2-CG 4.37Å; L1059-L1160 HydrophobicContact CG-CD2 4.17Å; L1059-T1163 HydrophobicContact CD1-CG2 4.07Å |
| 1060 | A | 92.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 34.3 Ų | 34.3 | 22% | 0.223 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1020 Y1024 R1056 M1057 L1062 A1063 A1064 | I1020-A1060 HydrophobicContact CG2-CB 3.96Å; Y1024-A1060 WeakPolarHBondContact OH-CB 3.39Å; R1056-A1060 PolarHBondContact O-N 2.92Å; M1057-A1060 PolarHBondContact O-N 3.09Å; A1060-L1062 VanDerWaalsContact C-N 3.35Å; A1060-L1062 PolarHBondContact O-N 3.08Å; A1060-A1063 PolarHBondContact O-N 3.17Å; A1060-A1064 WeakPolarHBondContact O-CB 3.34Å; A1060-A1064 PolarHBondContact O-N 2.68Å |
| 1061 | L | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 174.8 | -73 | 173.5 | 0 | 0 | 0 | 111.3 | Y968 F1017 I1020 M1057 A1063 A1064 V1065 | Y968-L1061 HydrophobicContact CE1-CD1 4.16Å; Y968-L1061 HydrophobicContact CE2-CD1 4.22Å; F1017-L1061 HydrophobicContact CB-CD2 3.96Å; F1017-L1061 HydrophobicContact CD1-CD2 3.59Å; F1017-L1061 HydrophobicContact CE1-CD2 4.2Å; F1017-L1061 HydrophobicContact CG-CD2 3.78Å; I1020-L1061 HydrophobicContact CB-CD2 4.01Å; I1020-L1061 HydrophobicContact CD1-CD2 3.93Å; I1020-L1061 HydrophobicContact CG2-CD2 3.96Å; I1020-L1061 HydrophobicContact CG2-CG 4.19Å; M1057-L1061 HydrophobicContact CE-CD1 3.97Å; M1057-L1061 HydrophobicContact CG-CD1 3.96Å; M1057-L1061 HydrophobicContact CG-CG 4.31Å; M1057-L1061 WeakPolarHBondContact O-CG 3.1Å; M1057-L1061 PolarHBondContact O-N 3.2Å; M1057-L1061 HydrophobicContact SD-CD1 4.19Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.4Å; L1061-A1064 PolarHBondContact O-N 3.04Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.01Å; L1061-V1065 PolarHBondContact O-N 3.25Å |
| 1062 | L | 91.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.5 | -171.6 | 69.9 | 0 | 0 | 0 | 112 | S1058 L1059 A1060 R1066 I1082 L1121 I1123 | S1058-L1062 VanDerWaalsContact O-CB 3.3Å; S1058-L1062 WeakPolarHBondContact O-CB 3.47Å; S1058-L1062 PolarHBondContact O-N 2.8Å; L1059-L1062 PolarHBondContact O-N 3.25Å; A1060-L1062 VanDerWaalsContact C-N 3.35Å; A1060-L1062 PolarHBondContact O-N 3.08Å; L1062-R1066 WeakPolarHBondContact O-CG 3.23Å; L1062-R1066 PolarHBondContact O-N 3.06Å; L1062-I1082 HydrophobicContact CB-CD1 4.16Å; L1062-I1082 HydrophobicContact CD1-CD1 4.18Å; L1062-L1121 HydrophobicContact CD1-CB 4.44Å; L1062-L1121 HydrophobicContact CD1-CD2 4.18Å; L1062-I1123 HydrophobicContact CD2-CD1 4.1Å; L1062-I1123 HydrophobicContact CD2-CG1 4.17Å |
| 1063 | A | 90.1 | Very high | 85.5 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 45% | 0.446 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L1059 A1060 L1061 R1066 | L1059-A1063 WeakPolarHBondContact O-CB 3.39Å; L1059-A1063 PolarHBondContact O-N 2.75Å; A1060-A1063 PolarHBondContact O-N 3.17Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.4Å; A1063-R1066 PolarHBondContact O-N 3.38Å |
| 1064 | A | 87.4 | Confident | 84.3 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 21% | 0.207 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1020 A1060 L1061 R1066 C1067 F1068 | I1020-A1064 HydrophobicContact CD1-CB 3.33Å; A1060-A1064 WeakPolarHBondContact O-CB 3.34Å; A1060-A1064 PolarHBondContact O-N 2.68Å; L1061-A1064 PolarHBondContact O-N 3.04Å; A1064-R1066 VanDerWaalsContact C-N 3.27Å; A1064-R1066 PolarHBondContact O-N 3.26Å; A1064-C1067 PolarHBondContact O-N 3.11Å; A1064-C1067 VanDerWaalsContact O-N 3.07Å; A1064-F1068 PolarHBondContact O-N 3.1Å; A1064-F1068 VanDerWaalsContact O-N 3.12Å |
| 1065 | V | 86.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 176.8 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | F1017 L1061 C1067 F1068 L1078 L1080 L1121 | F1017-V1065 HydrophobicContact CE1-CG2 3.54Å; F1017-V1065 HydrophobicContact CZ-CG2 3.69Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.01Å; L1061-V1065 PolarHBondContact O-N 3.25Å; V1065-C1067 PolarHBondContact O-N 3.14Å; V1065-F1068 WeakPolarHBondContact O-CB 3.44Å; V1065-F1068 PolarHBondContact O-N 3.16Å; V1065-F1068 VanDerWaalsContact O-N 3.1Å; V1065-L1078 HydrophobicContact CG1-CB 4.16Å; V1065-L1078 HydrophobicContact CG1-CD2 3.98Å; V1065-L1078 HydrophobicContact CG1-CG 4.38Å; V1065-L1078 VanDerWaalsContact CG1-O 3.27Å; V1065-L1078 WeakPolarHBondContact CG1-O 2.99Å; V1065-L1078 HydrophobicContact CG2-CD2 4.37Å; V1065-L1080 HydrophobicContact CB-CB 4.46Å; V1065-L1080 HydrophobicContact CG1-CB 4.06Å; V1065-L1080 HydrophobicContact CG2-CB 4.19Å; V1065-L1080 HydrophobicContact CG2-CD2 3.94Å; V1065-L1121 HydrophobicContact CG1-CD2 4.45Å |
| 1066 | R | 84.8 | Confident | 82.4 | Confident | 139 Ų | 139 | 59.5 Ų | 59.5 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -27.1 | 177.7 | -74.2 | 174.5 | 179.4 | 177 | 2.1 | 112.9 | L1062 A1063 A1064 L1121 | L1062-R1066 WeakPolarHBondContact O-CG 3.23Å; L1062-R1066 PolarHBondContact O-N 3.06Å; A1063-R1066 PolarHBondContact O-N 3.38Å; A1064-R1066 VanDerWaalsContact C-N 3.27Å; A1064-R1066 PolarHBondContact O-N 3.26Å; R1066-L1121 HydrophobicContact CG-CD2 4.49Å |
| 1067 | C | 81 | Confident | 81.8 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -97.4 | -5 | 178 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | A1064 V1065 | A1064-C1067 PolarHBondContact O-N 3.11Å; A1064-C1067 VanDerWaalsContact O-N 3.07Å; V1065-C1067 PolarHBondContact O-N 3.14Å |
| 1068 | F | 80.5 | Confident | 81.2 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | trans | -79.8 | 125.2 | -175.9 | -169.4 | -86.9 | 0 | 0 | 0 | 111.1 | L1009 D1012 L1013 C1016 A1064 V1065 L1078 | L1009-F1068 HydrophobicContact CD1-CE1 3.72Å; L1009-F1068 HydrophobicContact CD1-CZ 4.32Å; D1012-F1068 HydrophobicContact CB-CE2 4.25Å; D1012-F1068 HydrophobicContact CB-CZ 3.87Å; L1013-F1068 HydrophobicContact CB-CE1 4.49Å; L1013-F1068 HydrophobicContact CB-CE2 4.45Å; L1013-F1068 HydrophobicContact CB-CZ 4.05Å; L1013-F1068 HydrophobicContact CD1-CD1 4.37Å; L1013-F1068 HydrophobicContact CD1-CD2 4.35Å; L1013-F1068 HydrophobicContact CD1-CE1 4.38Å; L1013-F1068 HydrophobicContact CD1-CE2 4.35Å; L1013-F1068 HydrophobicContact CD1-CG 4.36Å; L1013-F1068 HydrophobicContact CD1-CZ 4.36Å; C1016-F1068 HydrophobicContact CB-CD2 4.44Å; C1016-F1068 HydrophobicContact CB-CE2 4.34Å; A1064-F1068 PolarHBondContact O-N 3.1Å; A1064-F1068 VanDerWaalsContact O-N 3.12Å; V1065-F1068 WeakPolarHBondContact O-CB 3.44Å; V1065-F1068 PolarHBondContact O-N 3.16Å; V1065-F1068 VanDerWaalsContact O-N 3.1Å; F1068-L1078 HydrophobicContact CD1-CD2 4.44Å | ||
| 1069 | T | 73.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -108 | 130 | -177.8 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | M1071 P1074 | T1069-M1071 PolarHBondContact O-N 3.32Å; T1069-P1074 HydrophobicContact CG2-CB 3.93Å |
| 1070 | I | 73.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | trans | -78 | 111.9 | 177.6 | -57.5 | 174.6 | 0 | 0 | 0 | 109.1 | L978 L1009 H1072 R1073 P1074 E1076 L1078 | L978-I1070 HydrophobicContact CD2-CD1 4.36Å; L1009-I1070 HydrophobicContact CD1-CB 4.45Å; L1009-I1070 HydrophobicContact CD1-CG1 4.09Å; L1009-I1070 HydrophobicContact CD1-CG2 4.13Å; L1009-I1070 HydrophobicContact CD2-CG2 4.32Å; I1070-H1072 VanDerWaalsContact C-N 3.32Å; I1070-H1072 WeakPolarHBondContact CG2-CE1 3.41Å; I1070-H1072 WeakPolarHBondContact CG2-ND1 3.18Å; I1070-H1072 PolarHBondContact O-N 2.78Å; I1070-R1073 HydrophobicContact CB-CB 4.47Å; I1070-R1073 HydrophobicContact CG2-CB 4.1Å; I1070-R1073 CarbonylContact O-C 3.56Å; I1070-R1073 PolarHBondContact O-N 3.39Å; I1070-P1074 WeakPolarHBondContact O-CA 3.47Å; I1070-E1076 HydrophobicContact CD1-CB 4.38Å; I1070-L1078 HydrophobicContact CD1-CD1 4.26Å | ||
| 1071 | M | 68 | Low | 80.8 | Confident | 139 Ų | 139 | 65 Ų | 65 | 69% | 0.685 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.1 | -173.2 | -80.3 | -158.3 | -78.2 | 0 | 0 | 114.7 | D1012 T1069 R1073 | D1012-M1071 WeakPolarHBondContact OD2-CE 2.97Å; T1069-M1071 PolarHBondContact O-N 3.32Å; M1071-R1073 VanDerWaalsContact C-N 3.34Å |
| 1072 | H | 65 | Low | 81 | Confident | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.25 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.4 | -179.6 | 63.5 | -83.5 | 0 | 0 | 0 | 113.1 | I1070 | I1070-H1072 VanDerWaalsContact C-N 3.32Å; I1070-H1072 WeakPolarHBondContact CG2-CE1 3.41Å; I1070-H1072 WeakPolarHBondContact CG2-ND1 3.18Å; I1070-H1072 PolarHBondContact O-N 2.78Å |
| 1073 | R | 70.2 | Confident | 81.1 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 25% | 0.249 | 33% | 0.325 | C | S | . | . | trans | -143.9 | 69.4 | 177.6 | -70.8 | -169.2 | -178.6 | -167.5 | 6.1 | 110.9 | E981 I1070 M1071 K1075 E1076 | E981-R1073 IonicContact OE2-CZ 3.53Å; E981-R1073 VanDerWaalsContact OE2-CZ 3.22Å; E981-R1073 IonicContact OE2-NH1 3.96Å; E981-R1073 PolarHBondContact OE2-NH1 3.35Å; E981-R1073 IonicContact OE2-NH2 3.89Å; E981-R1073 PolarHBondContact OE2-NH2 3.08Å; I1070-R1073 HydrophobicContact CB-CB 4.47Å; I1070-R1073 HydrophobicContact CG2-CB 4.1Å; I1070-R1073 CarbonylContact O-C 3.56Å; I1070-R1073 PolarHBondContact O-N 3.39Å; M1071-R1073 VanDerWaalsContact C-N 3.34Å; R1073-K1075 PolarHBondContact O-N 2.92Å; R1073-E1076 HydrophobicContact CB-CB 4.41Å; R1073-E1076 WeakPolarHBondContact CD-OE1 3.5Å; R1073-E1076 WeakPolarHBondContact CD-OE2 3.48Å; R1073-E1076 IonicContact CZ-OE1 3.64Å; R1073-E1076 IonicContact NH1-OE1 3.16Å; R1073-E1076 PolarHBondContact NH1-OE1 3.46Å; R1073-E1076 IonicContact NH1-OE2 2.95Å; R1073-E1076 PolarHBondContact O-N 3.5Å | ||
| 1074 | P | 69.6 | Low | 81.5 | Confident | 92 Ų | 92 | 62 Ų | 62 | 60% | 0.597 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -8.9 | -173.5 | 24.2 | -34 | 0 | 0 | 0 | 114.5 | T1069 I1070 | T1069-P1074 HydrophobicContact CG2-CB 3.93Å; I1070-P1074 WeakPolarHBondContact O-CA 3.47Å |
| 1075 | K | 74.6 | Confident | 81.9 | Confident | 208 Ų | 208 | 61.8 Ų | 61.8 | 90% | 0.904 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -12 | 177.8 | -62.7 | -174.2 | -179.5 | -179 | 0 | 113.9 | R1073 | R1073-K1075 PolarHBondContact O-N 2.92Š|
| 1076 | E | 75.1 | Confident | 82.4 | Confident | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -98.1 | 129 | 179.4 | -74.1 | 180 | -164.9 | 0 | 0 | 110.7 | I1070 R1073 | I1070-E1076 HydrophobicContact CD1-CB 4.38Å; R1073-E1076 HydrophobicContact CB-CB 4.41Å; R1073-E1076 WeakPolarHBondContact CD-OE1 3.5Å; R1073-E1076 WeakPolarHBondContact CD-OE2 3.48Å; R1073-E1076 IonicContact CZ-OE1 3.64Å; R1073-E1076 IonicContact NH1-OE1 3.16Å; R1073-E1076 PolarHBondContact NH1-OE1 3.46Å; R1073-E1076 IonicContact NH1-OE2 2.95Å; R1073-E1076 PolarHBondContact O-N 3.5Å |
| 1077 | Q | 80 | Confident | 82.8 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 127.4 | 175.4 | -175.4 | -179.3 | 42.7 | 0 | 0 | 110.2 | K1079 | Q1077-K1079 PolarHBondContact O-N 2.85Å |
| 1078 | L | 82.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 129.9 | 172 | -164.1 | 87.4 | 0 | 0 | 0 | 110 | I972 L1013 V1065 F1068 I1070 | I972-L1078 HydrophobicContact CG2-CD1 3.7Å; I972-L1078 HydrophobicContact CG2-CG 4.23Å; L1013-L1078 HydrophobicContact CD1-CD2 3.49Å; L1013-L1078 VanDerWaalsContact CD1-CD2 3.49Å; L1013-L1078 HydrophobicContact CD2-CD2 3.81Å; L1013-L1078 HydrophobicContact CG-CD2 4.3Å; V1065-L1078 HydrophobicContact CG1-CB 4.16Å; V1065-L1078 HydrophobicContact CG1-CD2 3.98Å; V1065-L1078 HydrophobicContact CG1-CG 4.38Å; V1065-L1078 VanDerWaalsContact CG1-O 3.27Å; V1065-L1078 WeakPolarHBondContact CG1-O 2.99Å; V1065-L1078 HydrophobicContact CG2-CD2 4.37Å; F1068-L1078 HydrophobicContact CD1-CD2 4.44Å; I1070-L1078 HydrophobicContact CD1-CD1 4.26Å |
| 1079 | K | 88.7 | Confident | 84.2 | Confident | 98 Ų | 98 | 53 Ų | 53 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | trans | -114.7 | 110.8 | -179.5 | -66.9 | 176.7 | -171.7 | 173.2 | 0 | 109.9 | V973 Q1077 P1120 L1121 | V973-K1079 HydrophobicContact CB-CB 4.07Å; V973-K1079 HydrophobicContact CG2-CB 4.46Å; V973-K1079 WeakPolarHBondContact CG2-O 3.12Å; V973-K1079 PolarHBondContact N-O 3.47Å; Q1077-K1079 PolarHBondContact O-N 2.85Å; K1079-P1120 HydrophobicContact CB-CB 4.23Å; K1079-P1120 HydrophobicContact CD-CB 4.35Å; K1079-L1121 HydrophobicContact CB-CG 4.37Å; K1079-L1121 HydrophobicContact CG-CD1 4.27Å; K1079-L1121 HydrophobicContact CG-CG 4.27Å | ||
| 1080 | L | 90.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.5 | 176.6 | -165.8 | 69.7 | 0 | 0 | 0 | 110.4 | I972 F1017 V1065 I1082 L1121 | I972-L1080 HydrophobicContact CG1-CD1 4.44Å; F1017-L1080 HydrophobicContact CE2-CD1 4.34Å; F1017-L1080 HydrophobicContact CZ-CD1 4.13Å; F1017-L1080 HydrophobicContact CZ-CD2 4.09Å; V1065-L1080 HydrophobicContact CB-CB 4.46Å; V1065-L1080 HydrophobicContact CG1-CB 4.06Å; V1065-L1080 HydrophobicContact CG2-CB 4.19Å; V1065-L1080 HydrophobicContact CG2-CD2 3.94Å; L1080-I1082 HydrophobicContact CD2-CD1 3.78Å; L1080-I1082 HydrophobicContact CD2-CG1 3.85Å; L1080-I1082 HydrophobicContact CG-CD1 4.36Å; L1080-I1082 HydrophobicContact CG-CG1 3.96Å; L1080-L1121 WeakPolarHBondContact O-CA 3.45Å; L1080-L1121 PolarHBondContact O-N 3.11Å |
| 1081 | R | 93 | Very high | 86 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.9 | 168.5 | -168.7 | -179.2 | -49.6 | -175.5 | 10.6 | 108.2 | S970 D971 V973 E1115 S1116 | S970-R1081 CarbonylContact C-O 2.98Å; S970-R1081 WeakPolarHBondContact CA-O 3.21Å; S970-R1081 VanDerWaalsContact CB-O 3.25Å; S970-R1081 WeakPolarHBondContact CB-O 3.33Å; D971-R1081 HydrophobicContact CB-CB 4.5Å; D971-R1081 PolarHBondContact N-O 3.4Å; D971-R1081 PolarHBondContact O-N 3.16Å; V973-R1081 HydrophobicContact CG2-CB 3.89Å; R1081-E1115 WeakPolarHBondContact CD-O 3.25Å; R1081-E1115 WeakPolarHBondContact CD-OE1 3.09Å; R1081-E1115 WeakPolarHBondContact CG-O 3.41Å; R1081-S1116 PolarHBondContact NH1-O 3.35Å |
| 1082 | I | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | -174.5 | -60.8 | 170.4 | 0 | 0 | 0 | 110.1 | Y968 F969 L1062 L1080 I1084 K1122 I1123 H1124 | Y968-I1082 HydrophobicContact CD2-CG2 3.68Å; Y968-I1082 HydrophobicContact CE2-CB 4.24Å; Y968-I1082 HydrophobicContact CE2-CD1 4.02Å; Y968-I1082 HydrophobicContact CE2-CG1 4Å; Y968-I1082 HydrophobicContact CE2-CG2 3.26Å; F969-I1082 WeakPolarHBondContact O-CA 3.34Å; L1062-I1082 HydrophobicContact CB-CD1 4.16Å; L1062-I1082 HydrophobicContact CD1-CD1 4.18Å; L1080-I1082 HydrophobicContact CD2-CD1 3.78Å; L1080-I1082 HydrophobicContact CD2-CG1 3.85Å; L1080-I1082 HydrophobicContact CG-CD1 4.36Å; L1080-I1082 HydrophobicContact CG-CG1 3.96Å; I1082-I1084 HydrophobicContact CG2-CD1 4.47Å; I1082-I1084 HydrophobicContact CG2-CG1 4.12Å; I1082-K1122 PolarHBondContact N-O 3.26Å; I1082-I1123 HydrophobicContact CB-CB 4.47Å; I1082-I1123 HydrophobicContact CB-CG1 4.1Å; I1082-I1123 HydrophobicContact CD1-CD1 4.49Å; I1082-I1123 HydrophobicContact CD1-CG1 3.78Å; I1082-I1123 HydrophobicContact CG2-CB 4.39Å; I1082-I1123 HydrophobicContact CG2-CG1 4.15Å; I1082-I1123 HydrophobicContact CG2-CG2 3.94Å; I1082-H1124 WeakPolarHBondContact O-CB 3.47Å; I1082-H1124 PolarHBondContact O-N 2.98Å |
| 1083 | G | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F969 H1124 | F969-G1083 PolarHBondContact N-O 2.8Å; F969-G1083 PolarHBondContact O-N 3.44Å; G1083-H1124 CarbonylContact C-O 3.6Å; G1083-H1124 WeakPolarHBondContact CA-O 3.4Å |
| 1084 | I | 97 | Very high | 88.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128.5 | -178.2 | -50.8 | 174.3 | 0 | 0 | 0 | 110.6 | T966 I967 Y968 I1054 S1058 I1082 I1123 H1124 V1125 S1126 T1129 | T966-I1084 HydrophobicContact CG2-CG2 3.34Å; I967-I1084 WeakPolarHBondContact O-CA 3.21Å; Y968-I1084 HydrophobicContact CD2-CG1 4.43Å; I1054-I1084 HydrophobicContact CG2-CD1 4.1Å; I1054-I1084 HydrophobicContact CG2-CG1 4.31Å; I1054-I1084 HydrophobicContact CG2-CG2 3.83Å; S1058-I1084 VanDerWaalsContact OG-CD1 3.31Å; S1058-I1084 WeakPolarHBondContact OG-CD1 3.16Å; I1082-I1084 HydrophobicContact CG2-CD1 4.47Å; I1082-I1084 HydrophobicContact CG2-CG1 4.12Å; I1084-I1123 HydrophobicContact CD1-CG2 3.35Å; I1084-I1123 HydrophobicContact CG1-CG2 4.02Å; I1084-H1124 PolarHBondContact N-O 3.27Å; I1084-V1125 HydrophobicContact CB-CG2 4.46Å; I1084-V1125 HydrophobicContact CD1-CG2 4.36Å; I1084-S1126 PolarHBondContact O-N 2.75Å; I1084-S1126 VanDerWaalsContact O-N 3.11Å; I1084-T1129 HydrophobicContact CG2-CG2 3.83Å |
| 1085 | H | 96.4 | Very high | 88.8 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.4 | 173.3 | -179.4 | 60.6 | 0 | 0 | 0 | 111.9 | I967 T1110 A1111 M1114 S1126 T1129 | I967-H1085 PolarHBondContact N-O 3.31Å; I967-H1085 PolarHBondContact O-N 3.27Å; H1085-T1110 HydrophobicContact CB-CG2 4.36Å; H1085-T1110 VanDerWaalsContact CD2-CB 3.42Å; H1085-T1110 WeakPolarHBondContact CD2-CB 3.15Å; H1085-T1110 VanDerWaalsContact CD2-CG2 3.49Å; H1085-T1110 WeakPolarHBondContact CD2-CG2 3.23Å; H1085-A1111 HydrophobicContact CB-CB 3.87Å; H1085-M1114 HydrophobicContact CB-CG 4.15Å; H1085-S1126 WeakPolarHBondContact ND1-CB 3.43Å; H1085-S1126 PolarHBondContact ND1-OG 3.17Å; H1085-T1129 VanDerWaalsContact C-OG1 3.27Å; H1085-T1129 VanDerWaalsContact CA-OG1 3.25Å; H1085-T1129 WeakPolarHBondContact CA-OG1 3.43Å |
| 1086 | S | 96.5 | Very high | 88.7 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.4 | -178.9 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | V965 T966 T1129 | V965-S1086 CarbonylContact O-C 3.29Å; V965-S1086 WeakPolarHBondContact O-CA 3.13Å; T966-S1086 PolarHBondContact OG1-OG 2.99Å; S1086-T1129 WeakPolarHBondContact CB-OG1 3.25Å; S1086-T1129 PolarHBondContact N-OG1 2.91Å; S1086-T1129 WeakPolarHBondContact OG-CB 3.3Å; S1086-T1129 PolarHBondContact OG-OG1 3.45Å |
| 1087 | G | 94.7 | Very high | 88.5 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -174.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V965 T1107 | V965-G1087 WeakPolarHBondContact CG2-O 3.41Å; V965-G1087 PolarHBondContact N-O 3.45Å; V965-G1087 PolarHBondContact O-N 3.25Å; G1087-T1107 WeakPolarHBondContact CA-OG1 3.31Å |
| 1088 | P | 95.4 | Very high | 88.3 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 145.7 | -176.3 | 29.1 | -34.7 | 0 | 0 | 0 | 113.5 | F962 D963 T1107 | F962-P1088 WeakPolarHBondContact O-CA 3.5Å; D963-P1088 WeakPolarHBondContact O-CA 3.38Å; D963-P1088 WeakPolarHBondContact O-CB 3.07Å; P1088-T1107 WeakPolarHBondContact O-CB 3.3Å; P1088-T1107 PolarHBondContact O-OG1 3.3Å |
| 1089 | V | 94.3 | Very high | 88 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153 | 177.7 | 80.6 | 0 | 0 | 0 | 0 | 111.7 | F962 V965 L1042 L1103 F1104 V1108 | F962-V1089 HydrophobicContact CB-CG1 4.21Å; F962-V1089 PolarHBondContact N-O 2.87Å; F962-V1089 PolarHBondContact O-N 3.16Å; V965-V1089 HydrophobicContact CB-CG1 4.45Å; V965-V1089 HydrophobicContact CG1-CG1 4.09Å; V965-V1089 HydrophobicContact CG2-CB 3.96Å; V965-V1089 HydrophobicContact CG2-CG1 3.5Å; L1042-V1089 HydrophobicContact CD2-CG1 3.46Å; L1042-V1089 VanDerWaalsContact CD2-CG1 3.46Å; V1089-L1103 HydrophobicContact CG1-CD2 4.33Å; V1089-L1103 HydrophobicContact CG2-CB 3.86Å; V1089-L1103 HydrophobicContact CG2-CD2 4.19Å; V1089-L1103 HydrophobicContact CG2-CG 4.27Å; V1089-F1104 WeakPolarHBondContact CG2-O 3.2Å; V1089-V1108 HydrophobicContact CG2-CG2 3.98Å |
| 1090 | C | 92.4 | Very high | 87.6 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.6 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | E960 L1103 F1104 | E960-C1090 CarbonylContact O-C 3.54Å; E960-C1090 WeakPolarHBondContact O-CA 3.38Å; E960-C1090 PolarHBondContact O-SG 2.91Å; C1090-L1103 CarbonylContact O-C 3.47Å; C1090-F1104 PolarHBondContact N-O 3.23Å; C1090-F1104 PolarHBondContact O-N 2.61Å |
| 1091 | A | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A959 E960 F962 L1042 Y1101 C1102 L1103 | A959-A1091 CarbonylContact C-O 3.52Å; A959-A1091 WeakPolarHBondContact CA-O 3.39Å; E960-A1091 PolarHBondContact N-O 2.76Å; E960-A1091 PolarHBondContact O-N 3.24Å; F962-A1091 HydrophobicContact CD2-CB 4.35Å; F962-A1091 HydrophobicContact CE2-CB 4.02Å; L1042-A1091 HydrophobicContact CD2-CB 4.22Å; A1091-Y1101 HydrophobicContact CB-CE1 3.94Å; A1091-Y1101 HydrophobicContact CB-CE2 4.36Å; A1091-C1102 VanDerWaalsContact CA-O 3.3Å; A1091-C1102 WeakPolarHBondContact CA-O 3.34Å; A1091-L1103 HydrophobicContact CB-CG 4.36Å |
| 1092 | G | 87.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1102 | G1092-C1102 PolarHBondContact N-O 3.32Å; G1092-C1102 VanDerWaalsContact N-O 3.12Å; G1092-C1102 PolarHBondContact O-N 3.45Å |
| 1093 | V | 85.8 | Confident | 87 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.1 | 177.7 | 179 | 0 | 0 | 0 | 0 | 110.5 | V947 V957 P1099 R1100 Y1101 | V947-V1093 HydrophobicContact CG1-CG2 3.32Å; V957-V1093 HydrophobicContact CB-CB 4.38Å; V957-V1093 HydrophobicContact CB-CG2 4.04Å; V957-V1093 HydrophobicContact CG1-CB 4.48Å; V957-V1093 HydrophobicContact CG1-CG2 3.81Å; V957-V1093 HydrophobicContact CG2-CG2 4.27Å; V1093-P1099 HydrophobicContact CG1-CB 3.4Å; V1093-P1099 VanDerWaalsContact CG1-CB 3.4Å; V1093-R1100 CarbonylContact C-O 3.5Å; V1093-R1100 VanDerWaalsContact CA-O 3.26Å; V1093-R1100 WeakPolarHBondContact CA-O 3.38Å; V1093-Y1101 HydrophobicContact CG2-CD2 3.96Å |
| 1094 | V | 82.8 | Confident | 86.7 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.6 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | P1099 R1100 C1102 F1104 | V1094-P1099 WeakPolarHBondContact O-CA 3.5Å; V1094-R1100 PolarHBondContact N-O 2.85Å; V1094-R1100 PolarHBondContact O-N 3.49Å; V1094-C1102 HydrophobicContact CG2-CB 4.25Å; V1094-F1104 HydrophobicContact CG2-CE2 4.13Å; V1094-F1104 HydrophobicContact CG2-CZ 4.03Å |
| 1095 | G | 75.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | trans | 96.6 | 137.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1099 | G1095-P1099 WeakPolarHBondContact O-CA 3.38Š| ||
| 1096 | L | 72.5 | Confident | 86.1 | Confident | 184 Ų | 184 | 59.5 Ų | 59.5 | 96% | 0.963 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -89.6 | -40.2 | 176.9 | -65.9 | 174.4 | 0 | 0 | 0 | 112.6 | ||
| 1097 | K | 70.7 | Confident | 86 | Confident | 164 Ų | 164 | 59.4 Ų | 59.4 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81 | -33.3 | -177 | -164 | 167.2 | -170.3 | 163.6 | 0 | 112.7 | D607 | D607-K1097 IonicContact OD2-NZ 2.7Å; D607-K1097 PolarHBondContact OD2-NZ 2.75Å |
| 1098 | M | 75.4 | Confident | 85.8 | Confident | 135 Ų | 135 | 60.1 Ų | 60.1 | 67% | 0.665 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -138.8 | 81.9 | 175.2 | -74.9 | -172 | -76.4 | 0 | 0 | 108.9 | R1100 | M1098-R1100 PolarHBondContact O-N 3.42Š|
| 1099 | P | 76.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | trans | -64.4 | 128.7 | -179 | 24.6 | -32.3 | 0 | 0 | 0 | 111 | L943 L951 V1093 V1094 G1095 | L943-P1099 HydrophobicContact CD1-CB 4.22Å; L943-P1099 HydrophobicContact CD1-CG 4.08Å; L951-P1099 HydrophobicContact CD1-CB 4.46Å; L951-P1099 HydrophobicContact CD1-CG 4.47Å; V1093-P1099 HydrophobicContact CG1-CB 3.4Å; V1093-P1099 VanDerWaalsContact CG1-CB 3.4Å; V1094-P1099 WeakPolarHBondContact O-CA 3.5Å; G1095-P1099 WeakPolarHBondContact O-CA 3.38Å | ||
| 1100 | R | 80.8 | Confident | 85.6 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 48% | 0.475 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.4 | 176.8 | -63.6 | -179.4 | -178.5 | -135.1 | -1.8 | 110.8 | E1030 V1093 V1094 M1098 C1102 | E1030-R1100 VanDerWaalsContact OE1-CD 3.27Å; E1030-R1100 WeakPolarHBondContact OE1-CD 3.46Å; E1030-R1100 IonicContact OE1-NH1 2.66Å; E1030-R1100 IonicContact OE2-CZ 3.65Å; E1030-R1100 IonicContact OE2-NH1 2.98Å; E1030-R1100 PolarHBondContact OE2-NH1 3.39Å; V1093-R1100 CarbonylContact C-O 3.5Å; V1093-R1100 VanDerWaalsContact CA-O 3.26Å; V1093-R1100 WeakPolarHBondContact CA-O 3.38Å; V1094-R1100 PolarHBondContact N-O 2.85Å; V1094-R1100 PolarHBondContact O-N 3.49Å; M1098-R1100 PolarHBondContact O-N 3.42Å; R1100-C1102 PolarHBondContact O-N 2.92Å |
| 1101 | Y | 87.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 90.7 | 177.2 | -166.7 | -111.4 | 0 | 0 | 0 | 110.2 | P944 V947 Y1027 L1042 P1043 A1091 V1093 | P944-Y1101 HydrophobicContact CG-CD1 3.76Å; P944-Y1101 HydrophobicContact CG-CE1 4.24Å; P944-Y1101 HydrophobicContact CG-CG 3.92Å; V947-Y1101 HydrophobicContact CG1-CD2 4.47Å; V947-Y1101 HydrophobicContact CG2-CD2 3.94Å; V947-Y1101 HydrophobicContact CG2-CE2 3.81Å; Y1027-Y1101 AromaticContact CE1-CD1 3.94Å; Y1027-Y1101 HydrophobicContact CE1-CD1 3.94Å; L1042-Y1101 HydrophobicContact CD1-CE1 4.09Å; P1043-Y1101 HydrophobicContact CB-CE1 4.25Å; A1091-Y1101 HydrophobicContact CB-CE1 3.94Å; A1091-Y1101 HydrophobicContact CB-CE2 4.36Å; V1093-Y1101 HydrophobicContact CG2-CD2 3.96Å |
| 1102 | C | 87.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 148.9 | -171.4 | -56.5 | 0 | 0 | 0 | 0 | 112 | A1091 G1092 V1094 R1100 F1104 | A1091-C1102 VanDerWaalsContact CA-O 3.3Å; A1091-C1102 WeakPolarHBondContact CA-O 3.34Å; G1092-C1102 PolarHBondContact N-O 3.32Å; G1092-C1102 VanDerWaalsContact N-O 3.12Å; G1092-C1102 PolarHBondContact O-N 3.45Å; V1094-C1102 HydrophobicContact CG2-CB 4.25Å; R1100-C1102 PolarHBondContact O-N 2.92Å; C1102-F1104 HydrophobicContact CB-CE2 3.67Å; C1102-F1104 HydrophobicContact CB-CZ 3.7Å |
| 1103 | L | 90 | Very high | 85.9 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137 | 175.4 | -75.3 | 75.1 | 0 | 0 | 0 | 110.5 | I967 V1029 M1037 V1039 L1042 V1089 C1090 A1091 V1108 | I967-L1103 HydrophobicContact CD1-CD2 4.25Å; V1029-L1103 HydrophobicContact CB-CD1 4.18Å; V1029-L1103 HydrophobicContact CG1-CD1 3.56Å; V1029-L1103 HydrophobicContact CG2-CD1 3.5Å; V1029-L1103 HydrophobicContact CG2-CD2 4.3Å; M1037-L1103 HydrophobicContact CE-CB 4.46Å; M1037-L1103 HydrophobicContact CE-CD2 4.2Å; V1039-L1103 HydrophobicContact CB-CD2 4.16Å; V1039-L1103 HydrophobicContact CG1-CD2 4.1Å; V1039-L1103 HydrophobicContact CG2-CD2 3.96Å; L1042-L1103 HydrophobicContact CD1-CD1 4.34Å; L1042-L1103 HydrophobicContact CD1-CD2 4.33Å; L1042-L1103 HydrophobicContact CD2-CD2 3.71Å; L1042-L1103 HydrophobicContact CD2-CG 4.03Å; L1042-L1103 HydrophobicContact CG-CD2 4.5Å; V1089-L1103 HydrophobicContact CG1-CD2 4.33Å; V1089-L1103 HydrophobicContact CG2-CB 3.86Å; V1089-L1103 HydrophobicContact CG2-CD2 4.19Å; V1089-L1103 HydrophobicContact CG2-CG 4.27Å; C1090-L1103 CarbonylContact O-C 3.47Å; A1091-L1103 HydrophobicContact CB-CG 4.36Å; L1103-V1108 HydrophobicContact CB-CG2 4.1Å |
| 1104 | F | 89.7 | Confident | 86.3 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.3 | -179.1 | -57.9 | -82.1 | 0 | 0 | 0 | 110.7 | V1089 C1090 V1094 C1102 | V1089-F1104 WeakPolarHBondContact CG2-O 3.2Å; C1090-F1104 PolarHBondContact N-O 3.23Å; C1090-F1104 PolarHBondContact O-N 2.61Å; V1094-F1104 HydrophobicContact CG2-CE2 4.13Å; V1094-F1104 HydrophobicContact CG2-CZ 4.03Å; C1102-F1104 HydrophobicContact CB-CE2 3.67Å; C1102-F1104 HydrophobicContact CB-CZ 3.7Å |
| 1105 | G | 89.8 | Confident | 86.8 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 151.7 | 165.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1107 V1108 | G1105-T1107 PolarHBondContact O-N 3.13Å; G1105-V1108 PolarHBondContact O-N 3.22Å |
| 1106 | D | 91.5 | Very high | 87.5 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -24.6 | 177.7 | 179.8 | 64 | 0 | 0 | 0 | 112.9 | V1108 N1109 T1110 K1152 | D1106-V1108 VanDerWaalsContact C-N 3.31Å; D1106-V1108 PolarHBondContact O-N 3.02Å; D1106-N1109 PolarHBondContact O-N 3.46Å; D1106-T1110 WeakPolarHBondContact O-CB 3.39Å; D1106-T1110 PolarHBondContact O-N 3.36Å; D1106-T1110 PolarHBondContact O-OG1 3.37Å; D1106-K1152 IonicContact OD1-NZ 2.82Å; D1106-K1152 VanDerWaalsContact OD2-CE 3.24Å; D1106-K1152 WeakPolarHBondContact OD2-CE 3.17Å; D1106-K1152 IonicContact OD2-NZ 2.78Å; D1106-K1152 PolarHBondContact OD2-NZ 3.36Å |
| 1107 | T | 93.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 174 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | I967 G1087 P1088 G1105 T1110 A1111 | I967-T1107 HydrophobicContact CD1-CG2 3.88Å; I967-T1107 HydrophobicContact CG1-CG2 4.26Å; G1087-T1107 WeakPolarHBondContact CA-OG1 3.31Å; P1088-T1107 WeakPolarHBondContact O-CB 3.3Å; P1088-T1107 PolarHBondContact O-OG1 3.3Å; G1105-T1107 PolarHBondContact O-N 3.13Å; T1107-T1110 PolarHBondContact O-N 3.02Å; T1107-A1111 VanDerWaalsContact O-CB 3.3Å; T1107-A1111 WeakPolarHBondContact O-CB 3.13Å; T1107-A1111 PolarHBondContact O-N 3.25Å |
| 1108 | V | 91.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | I967 F969 M1037 V1089 L1103 G1105 D1106 T1110 A1111 S1112 | I967-V1108 HydrophobicContact CD1-CB 4.38Å; I967-V1108 HydrophobicContact CD1-CG2 3.73Å; F969-V1108 HydrophobicContact CE2-CG1 4Å; F969-V1108 HydrophobicContact CZ-CG1 3.86Å; M1037-V1108 HydrophobicContact CE-CG1 4.01Å; M1037-V1108 HydrophobicContact CE-CG2 4.44Å; V1089-V1108 HydrophobicContact CG2-CG2 3.98Å; L1103-V1108 HydrophobicContact CB-CG2 4.1Å; G1105-V1108 PolarHBondContact O-N 3.22Å; D1106-V1108 VanDerWaalsContact C-N 3.31Å; D1106-V1108 PolarHBondContact O-N 3.02Å; V1108-T1110 VanDerWaalsContact C-N 3.34Å; V1108-T1110 PolarHBondContact O-N 3.24Å; V1108-A1111 PolarHBondContact O-N 3.42Å; V1108-S1112 PolarHBondContact O-N 3.12Å |
| 1109 | N | 92.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 42.9 Ų | 42.9 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 179.2 | -67.8 | -39.3 | 0 | 0 | 0 | 112.1 | D1106 R1113 | D1106-N1109 PolarHBondContact O-N 3.46Å; N1109-R1113 VanDerWaalsContact O-CG 3.27Å; N1109-R1113 WeakPolarHBondContact O-CG 3.36Å; N1109-R1113 PolarHBondContact O-N 3.17Å; N1109-R1113 VanDerWaalsContact O-N 3.09Å |
| 1110 | T | 92.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -38.9 | 178.9 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | H1085 D1106 T1107 V1108 R1113 M1114 K1152 | H1085-T1110 HydrophobicContact CB-CG2 4.36Å; H1085-T1110 VanDerWaalsContact CD2-CB 3.42Å; H1085-T1110 WeakPolarHBondContact CD2-CB 3.15Å; H1085-T1110 VanDerWaalsContact CD2-CG2 3.49Å; H1085-T1110 WeakPolarHBondContact CD2-CG2 3.23Å; D1106-T1110 WeakPolarHBondContact O-CB 3.39Å; D1106-T1110 PolarHBondContact O-N 3.36Å; D1106-T1110 PolarHBondContact O-OG1 3.37Å; T1107-T1110 PolarHBondContact O-N 3.02Å; V1108-T1110 VanDerWaalsContact C-N 3.34Å; V1108-T1110 PolarHBondContact O-N 3.24Å; T1110-R1113 PolarHBondContact O-N 2.87Å; T1110-M1114 HydrophobicContact CG2-CE 3.81Å; T1110-M1114 WeakPolarHBondContact O-CG 3.16Å; T1110-M1114 PolarHBondContact O-N 3.25Å; T1110-K1152 VanDerWaalsContact OG1-CE 3.3Å; T1110-K1152 WeakPolarHBondContact OG1-CE 3.2Å |
| 1111 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I967 F969 H1085 T1107 V1108 R1113 M1114 E1115 | I967-A1111 HydrophobicContact CB-CB 3.9Å; I967-A1111 HydrophobicContact CG2-CB 3.93Å; F969-A1111 HydrophobicContact CD2-CB 3.56Å; F969-A1111 HydrophobicContact CE2-CB 3.92Å; H1085-A1111 HydrophobicContact CB-CB 3.87Å; T1107-A1111 VanDerWaalsContact O-CB 3.3Å; T1107-A1111 WeakPolarHBondContact O-CB 3.13Å; T1107-A1111 PolarHBondContact O-N 3.25Å; V1108-A1111 PolarHBondContact O-N 3.42Å; A1111-R1113 VanDerWaalsContact C-N 3.28Å; A1111-R1113 PolarHBondContact O-N 3.38Å; A1111-M1114 WeakPolarHBondContact O-CB 3.48Å; A1111-M1114 PolarHBondContact O-N 3.18Å; A1111-E1115 PolarHBondContact O-N 3.49Å; A1111-E1115 VanDerWaalsContact O-N 3.1Å |
| 1112 | S | 91.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -33.2 | 172.9 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | V1108 E1115 S1116 | V1108-S1112 PolarHBondContact O-N 3.12Å; S1112-E1115 PolarHBondContact O-N 3.22Å; S1112-S1116 PolarHBondContact O-N 3.04Å; S1112-S1116 PolarHBondContact O-OG 3.22Å |
| 1113 | R | 92.6 | Very high | 92 | Very high | 65 Ų | 65 | 42 Ų | 42 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.1 | -35.7 | 173.2 | -71.3 | 170.5 | -169.5 | 169.5 | 2.5 | 113.2 | N1109 T1110 A1111 E1115 S1116 T1117 M1149 K1150 | N1109-R1113 VanDerWaalsContact O-CG 3.27Å; N1109-R1113 WeakPolarHBondContact O-CG 3.36Å; N1109-R1113 PolarHBondContact O-N 3.17Å; N1109-R1113 VanDerWaalsContact O-N 3.09Å; T1110-R1113 PolarHBondContact O-N 2.87Å; A1111-R1113 VanDerWaalsContact C-N 3.28Å; A1111-R1113 PolarHBondContact O-N 3.38Å; R1113-E1115 PolarHBondContact O-N 2.89Å; R1113-S1116 WeakPolarHBondContact CA-OG 3.39Å; R1113-S1116 PolarHBondContact O-OG 3.29Å; R1113-T1117 WeakPolarHBondContact O-CB 3.34Å; R1113-T1117 WeakPolarHBondContact O-CG2 3.25Å; R1113-T1117 PolarHBondContact O-N 3.19Å; R1113-T1117 PolarHBondContact O-OG1 3.16Å; R1113-M1149 HydrophobicContact CB-SD 4.36Å; R1113-K1150 PolarHBondContact NE-O 3.2Å; R1113-K1150 PolarHBondContact NH1-O 3.46Å; R1113-K1150 PolarHBondContact NH2-O 3.38Å |
| 1114 | M | 94.3 | Very high | 92.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -38.8 | 170.8 | -64 | -60.2 | 127.7 | 0 | 0 | 110.8 | H1085 T1110 A1111 G1118 H1124 M1149 T1157 | H1085-M1114 HydrophobicContact CB-CG 4.15Å; T1110-M1114 HydrophobicContact CG2-CE 3.81Å; T1110-M1114 WeakPolarHBondContact O-CG 3.16Å; T1110-M1114 PolarHBondContact O-N 3.25Å; A1111-M1114 WeakPolarHBondContact O-CB 3.48Å; A1111-M1114 PolarHBondContact O-N 3.18Å; M1114-G1118 PolarHBondContact O-N 3.29Å; M1114-H1124 WeakPolarHBondContact O-CB 3.26Å; M1114-H1124 PolarHBondContact O-ND1 3.02Å; M1114-M1149 HydrophobicContact CE-CE 3.26Å; M1114-M1149 HydrophobicContact CE-SD 3.18Å; M1114-M1149 WeakPolarHBondContact CE-SD 3.46Å; M1114-M1149 HydrophobicContact SD-CE 3.68Å; M1114-M1149 HydrophobicContact SD-SD 4.37Å; M1114-T1157 HydrophobicContact CE-CG2 4.49Å; M1114-T1157 HydrophobicContact SD-CG2 4.05Å |
| 1115 | E | 93.2 | Very high | 92.7 | Very high | 20 Ų | 20 | 35.8 Ų | 35.8 | 9% | 0.093 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -58.4 | 178 | 176.5 | -71.7 | 117.4 | 0 | 0 | 109.7 | F969 D971 R1081 A1111 S1112 R1113 T1117 G1118 | F969-E1115 HydrophobicContact CB-CB 3.7Å; F969-E1115 HydrophobicContact CB-CG 4.07Å; D971-E1115 VanDerWaalsContact CB-CD 3.46Å; D971-E1115 HydrophobicContact CB-CG 4.15Å; D971-E1115 WeakPolarHBondContact CB-OE1 3.15Å; R1081-E1115 WeakPolarHBondContact CD-O 3.25Å; R1081-E1115 WeakPolarHBondContact CD-OE1 3.09Å; R1081-E1115 WeakPolarHBondContact CG-O 3.41Å; A1111-E1115 PolarHBondContact O-N 3.49Å; A1111-E1115 VanDerWaalsContact O-N 3.1Å; S1112-E1115 PolarHBondContact O-N 3.22Å; R1113-E1115 PolarHBondContact O-N 2.89Å; E1115-T1117 VanDerWaalsContact C-N 3.28Å; E1115-T1117 PolarHBondContact O-N 3.21Å; E1115-G1118 WeakPolarHBondContact O-CA 3.12Å; E1115-G1118 PolarHBondContact O-N 3.35Å |
| 1116 | S | 90.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 41% | 0.406 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.9 | -33.3 | -173.9 | 51.3 | 0 | 0 | 0 | 0 | 114 | R1081 S1112 R1113 G1118 | R1081-S1116 PolarHBondContact NH1-O 3.35Å; S1112-S1116 PolarHBondContact O-N 3.04Å; S1112-S1116 PolarHBondContact O-OG 3.22Å; R1113-S1116 WeakPolarHBondContact CA-OG 3.39Å; R1113-S1116 PolarHBondContact O-OG 3.29Å; S1116-G1118 VanDerWaalsContact C-N 3.33Å |
| 1117 | T | 92 | Very high | 93.1 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.7 | 173.7 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | R1113 E1115 H1124 R1144 V1147 M1149 | R1113-T1117 WeakPolarHBondContact O-CB 3.34Å; R1113-T1117 WeakPolarHBondContact O-CG2 3.25Å; R1113-T1117 PolarHBondContact O-N 3.19Å; R1113-T1117 PolarHBondContact O-OG1 3.16Å; E1115-T1117 VanDerWaalsContact C-N 3.28Å; E1115-T1117 PolarHBondContact O-N 3.21Å; T1117-H1124 PolarHBondContact OG1-CE1 2.92Å; T1117-H1124 VanDerWaalsContact OG1-CE1 3.29Å; T1117-H1124 PolarHBondContact OG1-ND1 3.34Å; T1117-R1144 PolarHBondContact O-NH1 3.19Å; T1117-R1144 PolarHBondContact O-NH2 3.18Å; T1117-V1147 HydrophobicContact CG2-CG1 4.17Å; T1117-M1149 HydrophobicContact CG2-CG 4.46Å |
| 1118 | G | 90.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -63.8 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1114 E1115 S1116 | M1114-G1118 PolarHBondContact O-N 3.29Å; E1115-G1118 WeakPolarHBondContact O-CA 3.12Å; E1115-G1118 PolarHBondContact O-N 3.35Å; S1116-G1118 VanDerWaalsContact C-N 3.33Å |
| 1119 | M | 91.6 | Very high | 93.3 | Very high | 86 Ų | 86 | 33.8 Ų | 33.8 | 42% | 0.424 | 19% | 0.194 | S | C | . | . | trans | -111.5 | 147.8 | 173.8 | -73.9 | -175.8 | 179.7 | 0 | 0 | 110 | L1121 K1122 W1159 | M1119-L1121 PolarHBondContact O-N 3Å; M1119-K1122 HydrophobicContact CB-CB 4.32Å; M1119-K1122 HydrophobicContact CB-CD 4.15Å; M1119-K1122 HydrophobicContact CB-CG 4.4Å; M1119-K1122 PolarHBondContact O-N 3.35Å; M1119-K1122 HydrophobicContact SD-CD 4.38Å; M1119-W1159 HydrophobicContact CB-CH2 3.63Å; M1119-W1159 HydrophobicContact CB-CZ2 4.18Å; M1119-W1159 HydrophobicContact CB-CZ3 4.33Å; M1119-W1159 HydrophobicContact CE-CZ2 4.31Å; M1119-W1159 HydrophobicContact CG-CH2 3.63Å; M1119-W1159 HydrophobicContact CG-CZ2 3.8Å; M1119-W1159 HydrophobicContact SD-CH2 4.18Å; M1119-W1159 HydrophobicContact SD-CZ2 3.74Å | ||
| 1120 | P | 91.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 138 | 174.6 | -20.5 | 29.7 | 0 | 0 | 0 | 111.6 | V973 K1079 K1122 | V973-P1120 HydrophobicContact CG1-CG 4.19Å; V973-P1120 HydrophobicContact CG2-CB 4.05Å; V973-P1120 HydrophobicContact CG2-CG 4.05Å; K1079-P1120 HydrophobicContact CB-CB 4.23Å; K1079-P1120 HydrophobicContact CD-CB 4.35Å; P1120-K1122 PolarHBondContact O-N 2.67Å |
| 1121 | L | 91.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.3 | -179.8 | -59.9 | 173.8 | 0 | 0 | 0 | 115.3 | L1062 V1065 R1066 K1079 L1080 M1119 | L1062-L1121 HydrophobicContact CD1-CB 4.44Å; L1062-L1121 HydrophobicContact CD1-CD2 4.18Å; V1065-L1121 HydrophobicContact CG1-CD2 4.45Å; R1066-L1121 HydrophobicContact CG-CD2 4.49Å; K1079-L1121 HydrophobicContact CB-CG 4.37Å; K1079-L1121 HydrophobicContact CG-CD1 4.27Å; K1079-L1121 HydrophobicContact CG-CG 4.27Å; L1080-L1121 WeakPolarHBondContact O-CA 3.45Å; L1080-L1121 PolarHBondContact O-N 3.11Å; M1119-L1121 PolarHBondContact O-N 3Å |
| 1122 | K | 93.2 | Very high | 93.4 | Very high | 94 Ų | 94 | 35.2 Ų | 35.2 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | trans | -130.2 | 155.4 | 174.3 | -64.4 | -167.4 | 175.9 | -174.8 | 0 | 111.4 | I1082 M1119 P1120 W1159 | I1082-K1122 PolarHBondContact N-O 3.26Å; M1119-K1122 HydrophobicContact CB-CB 4.32Å; M1119-K1122 HydrophobicContact CB-CD 4.15Å; M1119-K1122 HydrophobicContact CB-CG 4.4Å; M1119-K1122 PolarHBondContact O-N 3.35Å; M1119-K1122 HydrophobicContact SD-CD 4.38Å; P1120-K1122 PolarHBondContact O-N 2.67Å; K1122-W1159 HydrophobicContact CB-CD2 4.45Å; K1122-W1159 HydrophobicContact CB-CE3 3.66Å; K1122-W1159 HydrophobicContact CB-CH2 4.29Å; K1122-W1159 HydrophobicContact CB-CZ3 3.57Å; K1122-W1159 HydrophobicContact CD-CD2 4.11Å; K1122-W1159 HydrophobicContact CD-CE3 4.13Å; K1122-W1159 HydrophobicContact CD-CH2 4.37Å; K1122-W1159 HydrophobicContact CD-CZ2 4.33Å; K1122-W1159 HydrophobicContact CD-CZ3 4.26Å | ||
| 1123 | I | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 108 | 179.1 | -61.3 | 162.1 | 0 | 0 | 0 | 109.1 | L1059 L1062 I1082 I1084 V1125 W1159 L1160 | L1059-I1123 HydrophobicContact CD2-CD1 3.79Å; L1059-I1123 HydrophobicContact CG-CD1 4.17Å; L1062-I1123 HydrophobicContact CD2-CD1 4.1Å; L1062-I1123 HydrophobicContact CD2-CG1 4.17Å; I1082-I1123 HydrophobicContact CB-CB 4.47Å; I1082-I1123 HydrophobicContact CB-CG1 4.1Å; I1082-I1123 HydrophobicContact CD1-CD1 4.49Å; I1082-I1123 HydrophobicContact CD1-CG1 3.78Å; I1082-I1123 HydrophobicContact CG2-CB 4.39Å; I1082-I1123 HydrophobicContact CG2-CG1 4.15Å; I1082-I1123 HydrophobicContact CG2-CG2 3.94Å; I1084-I1123 HydrophobicContact CD1-CG2 3.35Å; I1084-I1123 HydrophobicContact CG1-CG2 4.02Å; I1123-V1125 HydrophobicContact CG2-CG2 3.98Å; I1123-W1159 WeakPolarHBondContact O-CA 3.01Å; I1123-L1160 HydrophobicContact CB-CB 4.01Å; I1123-L1160 HydrophobicContact CD1-CD2 4.17Å; I1123-L1160 HydrophobicContact CG2-CB 3.84Å; I1123-L1160 HydrophobicContact CG2-CD2 4.09Å; I1123-L1160 PolarHBondContact O-N 3.36Å |
| 1124 | H | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.2 | -179.1 | -165.9 | -169.5 | 0 | 0 | 0 | 110.7 | I1082 G1083 I1084 M1114 T1117 R1144 T1157 W1159 | I1082-H1124 WeakPolarHBondContact O-CB 3.47Å; I1082-H1124 PolarHBondContact O-N 2.98Å; G1083-H1124 CarbonylContact C-O 3.6Å; G1083-H1124 WeakPolarHBondContact CA-O 3.4Å; I1084-H1124 PolarHBondContact N-O 3.27Å; M1114-H1124 WeakPolarHBondContact O-CB 3.26Å; M1114-H1124 PolarHBondContact O-ND1 3.02Å; T1117-H1124 PolarHBondContact OG1-CE1 2.92Å; T1117-H1124 VanDerWaalsContact OG1-CE1 3.29Å; T1117-H1124 PolarHBondContact OG1-ND1 3.34Å; H1124-R1144 PolarHBondContact CE1-NH1 3.49Å; H1124-R1144 PolarHBondContact ND1-NH1 3.47Å; H1124-R1144 WeakPolarHBondContact NE2-CD 3.45Å; H1124-R1144 PolarHBondContact NE2-NH1 3.49Å; H1124-T1157 WeakPolarHBondContact NE2-CB 3.17Å; H1124-T1157 WeakPolarHBondContact NE2-CG2 3.43Å; H1124-T1157 PolarHBondContact NE2-OG1 3.27Å; H1124-W1159 HydrophobicContact CB-CE3 4.22Å; H1124-W1159 HydrophobicContact CB-CH2 4.37Å; H1124-W1159 HydrophobicContact CB-CZ3 3.65Å |
| 1125 | V | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.4 | -172.3 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | I1084 I1123 T1129 L1133 L1141 Y1158 L1160 | I1084-V1125 HydrophobicContact CB-CG2 4.46Å; I1084-V1125 HydrophobicContact CD1-CG2 4.36Å; I1123-V1125 HydrophobicContact CG2-CG2 3.98Å; V1125-T1129 VanDerWaalsContact CG1-CB 3.49Å; V1125-T1129 HydrophobicContact CG1-CG2 3.59Å; V1125-L1133 HydrophobicContact CG1-CD1 4.46Å; V1125-L1141 HydrophobicContact CB-CD2 4.2Å; V1125-L1141 HydrophobicContact CG1-CD2 4.06Å; V1125-L1141 HydrophobicContact CG2-CD2 4.37Å; V1125-Y1158 PolarHBondContact N-O 2.94Å; V1125-Y1158 PolarHBondContact O-N 2.73Å; V1125-L1160 HydrophobicContact CG2-CB 3.75Å |
| 1126 | S | 95.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 159.7 | 173.8 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | I1084 H1085 A1128 T1129 K1130 | I1084-S1126 PolarHBondContact O-N 2.75Å; I1084-S1126 VanDerWaalsContact O-N 3.11Å; H1085-S1126 WeakPolarHBondContact ND1-CB 3.43Å; H1085-S1126 PolarHBondContact ND1-OG 3.17Å; S1126-A1128 VanDerWaalsContact C-N 3.29Å; S1126-A1128 PolarHBondContact O-N 3.14Å; S1126-T1129 PolarHBondContact O-N 3.27Å; S1126-T1129 PolarHBondContact OG-N 2.97Å; S1126-T1129 PolarHBondContact OG-OG1 3.28Å; S1126-T1129 VanDerWaalsContact OG-OG1 3.09Å; S1126-K1130 WeakPolarHBondContact O-CB 3.04Å; S1126-K1130 PolarHBondContact O-N 3.15Å |
| 1127 | S | 94.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 38% | 0.378 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.4 | -38.1 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | K1130 A1131 | S1127-K1130 WeakPolarHBondContact O-CB 3.34Å; S1127-K1130 PolarHBondContact O-N 3.46Å; S1127-A1131 PolarHBondContact O-N 3.43Å |
| 1128 | A | 94.5 | Very high | 91.3 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1126 K1130 A1131 L1132 | S1126-A1128 VanDerWaalsContact C-N 3.29Å; S1126-A1128 PolarHBondContact O-N 3.14Å; A1128-K1130 VanDerWaalsContact C-N 3.35Å; A1128-A1131 PolarHBondContact O-N 2.89Å; A1128-L1132 PolarHBondContact O-N 3.38Å |
| 1129 | T | 95.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | T966 I1084 H1085 S1086 V1125 S1126 A1131 L1132 L1133 | T966-T1129 HydrophobicContact CG2-CG2 4.42Å; I1084-T1129 HydrophobicContact CG2-CG2 3.83Å; H1085-T1129 VanDerWaalsContact C-OG1 3.27Å; H1085-T1129 VanDerWaalsContact CA-OG1 3.25Å; H1085-T1129 WeakPolarHBondContact CA-OG1 3.43Å; S1086-T1129 WeakPolarHBondContact CB-OG1 3.25Å; S1086-T1129 PolarHBondContact N-OG1 2.91Å; S1086-T1129 WeakPolarHBondContact OG-CB 3.3Å; S1086-T1129 PolarHBondContact OG-OG1 3.45Å; V1125-T1129 VanDerWaalsContact CG1-CB 3.49Å; V1125-T1129 HydrophobicContact CG1-CG2 3.59Å; S1126-T1129 PolarHBondContact O-N 3.27Å; S1126-T1129 PolarHBondContact OG-N 2.97Å; S1126-T1129 PolarHBondContact OG-OG1 3.28Å; S1126-T1129 VanDerWaalsContact OG-OG1 3.09Å; T1129-A1131 VanDerWaalsContact C-N 3.33Å; T1129-A1131 PolarHBondContact O-N 3.35Å; T1129-L1132 WeakPolarHBondContact O-CB 3.44Å; T1129-L1132 PolarHBondContact O-N 3.5Å; T1129-L1132 VanDerWaalsContact O-N 3.12Å; T1129-L1133 HydrophobicContact CG2-CD1 4Å; T1129-L1133 HydrophobicContact CG2-CG 4.25Å; T1129-L1133 WeakPolarHBondContact O-CG 3.29Å; T1129-L1133 PolarHBondContact O-N 3.48Å |
| 1130 | K | 93.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.5 | -175 | -113.1 | -169.2 | -162.4 | 0 | 111.6 | S1126 S1127 A1128 L1132 L1133 E1134 L1141 Y1158 | S1126-K1130 WeakPolarHBondContact O-CB 3.04Å; S1126-K1130 PolarHBondContact O-N 3.15Å; S1127-K1130 WeakPolarHBondContact O-CB 3.34Å; S1127-K1130 PolarHBondContact O-N 3.46Å; A1128-K1130 VanDerWaalsContact C-N 3.35Å; K1130-L1132 VanDerWaalsContact C-N 3.3Å; K1130-L1132 PolarHBondContact O-N 3.02Å; K1130-L1133 PolarHBondContact O-N 3.46Å; K1130-E1134 HydrophobicContact CD-CG 4.42Å; K1130-E1134 WeakPolarHBondContact CD-OE2 3.3Å; K1130-E1134 WeakPolarHBondContact CE-OE1 3.45Å; K1130-E1134 WeakPolarHBondContact CE-OE2 3.04Å; K1130-E1134 HydrophobicContact CG-CG 4.48Å; K1130-E1134 IonicContact NZ-OE1 2.69Å; K1130-E1134 PolarHBondContact NZ-OE1 2.83Å; K1130-E1134 IonicContact NZ-OE2 3.04Å; K1130-E1134 PolarHBondContact NZ-OE2 2.96Å; K1130-E1134 WeakPolarHBondContact O-CB 3.34Å; K1130-E1134 WeakPolarHBondContact O-CG 3.46Å; K1130-E1134 PolarHBondContact O-N 3.35Å; K1130-L1141 HydrophobicContact CB-CD2 4.25Å; K1130-L1141 HydrophobicContact CG-CD2 4Å; K1130-Y1158 HydrophobicContact CB-CD2 3.68Å; K1130-Y1158 HydrophobicContact CB-CE2 4.05Å; K1130-Y1158 HydrophobicContact CB-CG 4.22Å; K1130-Y1158 HydrophobicContact CD-CD1 4.15Å; K1130-Y1158 HydrophobicContact CD-CD2 3.84Å; K1130-Y1158 HydrophobicContact CD-CE1 3.87Å; K1130-Y1158 HydrophobicContact CD-CE2 3.54Å; K1130-Y1158 HydrophobicContact CD-CG 4.15Å; K1130-Y1158 VanDerWaalsContact CE-CZ 3.46Å; K1130-Y1158 HydrophobicContact CG-CD1 4.12Å; K1130-Y1158 HydrophobicContact CG-CD2 3.64Å; K1130-Y1158 HydrophobicContact CG-CE1 4.36Å; K1130-Y1158 HydrophobicContact CG-CE2 3.9Å; K1130-Y1158 HydrophobicContact CG-CG 3.77Å |
| 1131 | A | 93.2 | Very high | 91.3 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1127 A1128 T1129 S1135 | S1127-A1131 PolarHBondContact O-N 3.43Å; A1128-A1131 PolarHBondContact O-N 2.89Å; T1129-A1131 VanDerWaalsContact C-N 3.33Å; T1129-A1131 PolarHBondContact O-N 3.35Å; A1131-S1135 PolarHBondContact O-N 3.03Å |
| 1132 | L | 93.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.7 | -34 | 175.3 | -66.6 | 173.2 | 0 | 0 | 0 | 112.9 | A1051 A1128 T1129 K1130 S1135 L1136 | A1051-L1132 HydrophobicContact CB-CB 3.74Å; A1051-L1132 HydrophobicContact CB-CD1 4.11Å; A1128-L1132 PolarHBondContact O-N 3.38Å; T1129-L1132 WeakPolarHBondContact O-CB 3.44Å; T1129-L1132 PolarHBondContact O-N 3.5Å; T1129-L1132 VanDerWaalsContact O-N 3.12Å; K1130-L1132 VanDerWaalsContact C-N 3.3Å; K1130-L1132 PolarHBondContact O-N 3.02Å; L1132-S1135 PolarHBondContact O-OG 2.95Å; L1132-L1136 WeakPolarHBondContact O-CD1 3.36Å; L1132-L1136 WeakPolarHBondContact O-CG 3.4Å |
| 1133 | L | 91.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.9 | -34.5 | 177.4 | -66.2 | 175.5 | 0 | 0 | 0 | 112 | A1051 A1055 V1125 T1129 K1130 S1135 L1136 N1137 F1139 L1141 | A1051-L1133 HydrophobicContact CB-CD2 4.02Å; A1051-L1133 HydrophobicContact CB-CG 4.49Å; A1051-L1133 WeakPolarHBondContact O-CD2 3.17Å; A1055-L1133 HydrophobicContact CB-CD1 4.17Å; A1055-L1133 HydrophobicContact CB-CD2 3.72Å; V1125-L1133 HydrophobicContact CG1-CD1 4.46Å; T1129-L1133 HydrophobicContact CG2-CD1 4Å; T1129-L1133 HydrophobicContact CG2-CG 4.25Å; T1129-L1133 WeakPolarHBondContact O-CG 3.29Å; T1129-L1133 PolarHBondContact O-N 3.48Å; K1130-L1133 PolarHBondContact O-N 3.46Å; L1133-S1135 VanDerWaalsContact C-N 3.32Å; L1133-L1136 PolarHBondContact O-N 2.82Å; L1133-N1137 PolarHBondContact O-N 3.08Å; L1133-F1139 HydrophobicContact CB-CD2 4.47Å; L1133-F1139 HydrophobicContact CD2-CD2 3.71Å; L1133-F1139 HydrophobicContact CD2-CE2 3.86Å; L1133-L1141 HydrophobicContact CB-CD1 4.12Å; L1133-L1141 HydrophobicContact CD1-CD1 4.37Å; L1133-L1141 HydrophobicContact CD1-CD2 4.11Å |
| 1134 | E | 88.4 | Confident | 91.2 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 173.7 | -77 | -177.5 | 146.9 | 0 | 0 | 111.6 | K1130 L1136 N1137 | K1130-E1134 HydrophobicContact CD-CG 4.42Å; K1130-E1134 WeakPolarHBondContact CD-OE2 3.3Å; K1130-E1134 WeakPolarHBondContact CE-OE1 3.45Å; K1130-E1134 WeakPolarHBondContact CE-OE2 3.04Å; K1130-E1134 HydrophobicContact CG-CG 4.48Å; K1130-E1134 IonicContact NZ-OE1 2.69Å; K1130-E1134 PolarHBondContact NZ-OE1 2.83Å; K1130-E1134 IonicContact NZ-OE2 3.04Å; K1130-E1134 PolarHBondContact NZ-OE2 2.96Å; K1130-E1134 WeakPolarHBondContact O-CB 3.34Å; K1130-E1134 WeakPolarHBondContact O-CG 3.46Å; K1130-E1134 PolarHBondContact O-N 3.35Å; E1134-L1136 PolarHBondContact O-N 2.69Å; E1134-N1137 PolarHBondContact O-N 3.45Å; E1134-N1137 PolarHBondContact O-OD1 3.44Å |
| 1135 | S | 85.7 | Confident | 90.9 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 57% | 0.566 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.7 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | A1131 L1132 L1133 | A1131-S1135 PolarHBondContact O-N 3.03Å; L1132-S1135 PolarHBondContact O-OG 2.95Å; L1133-S1135 VanDerWaalsContact C-N 3.32Å |
| 1136 | L | 83.1 | Confident | 90.7 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -8.5 | -179.6 | -64.4 | 164.9 | 0 | 0 | 0 | 113.4 | V1048 Y1052 L1132 L1133 E1134 S1138 | V1048-L1136 HydrophobicContact CG2-CD2 4.35Å; Y1052-L1136 HydrophobicContact CD2-CD1 4.24Å; Y1052-L1136 HydrophobicContact CG-CD1 4.45Å; L1132-L1136 WeakPolarHBondContact O-CD1 3.36Å; L1132-L1136 WeakPolarHBondContact O-CG 3.4Å; L1133-L1136 PolarHBondContact O-N 2.82Å; E1134-L1136 PolarHBondContact O-N 2.69Å; L1136-S1138 PolarHBondContact O-N 2.86Å; L1136-S1138 PolarHBondContact O-OG 3.3Å |
| 1137 | N | 80.2 | Confident | 90.4 | Very high | 144 Ų | 144 | 57 Ų | 57 | 77% | 0.77 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 21.3 | -179.7 | -79.2 | 2.1 | 0 | 0 | 0 | 116.5 | L1133 E1134 | L1133-N1137 PolarHBondContact O-N 3.08Å; E1134-N1137 PolarHBondContact O-N 3.45Å; E1134-N1137 PolarHBondContact O-OD1 3.44Å |
| 1138 | S | 82 | Confident | 90.3 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | trans | -105.8 | -9.7 | -169.3 | -61.7 | 0 | 0 | 0 | 0 | 114.6 | L1136 T1163 S1164 | L1136-S1138 PolarHBondContact O-N 2.86Å; L1136-S1138 PolarHBondContact O-OG 3.3Å; S1138-T1163 CarbonylContact O-C 3.59Å; S1138-T1163 VanDerWaalsContact O-CA 3.31Å; S1138-T1163 WeakPolarHBondContact O-CA 3.21Å; S1138-S1164 PolarHBondContact O-N 3.26Å | ||
| 1139 | F | 90.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149 | -171.2 | -63.1 | -80.9 | 0 | 0 | 0 | 112.8 | Y1052 A1055 R1056 L1059 L1133 L1141 L1160 G1162 T1163 S1164 | Y1052-F1139 AromaticContact CD2-CE2 3.53Å; Y1052-F1139 HydrophobicContact CD2-CE2 3.53Å; Y1052-F1139 AromaticContact CD2-CZ 3.98Å; Y1052-F1139 HydrophobicContact CD2-CZ 3.98Å; Y1052-F1139 AromaticContact CE2-CE2 3.93Å; Y1052-F1139 HydrophobicContact CE2-CE2 3.93Å; Y1052-F1139 HydrophobicContact CE2-CZ 4.09Å; Y1052-F1139 HydrophobicContact CG-CE2 4.37Å; A1055-F1139 HydrophobicContact CB-CD1 4.24Å; A1055-F1139 HydrophobicContact CB-CD2 4.32Å; A1055-F1139 HydrophobicContact CB-CE1 3.77Å; A1055-F1139 HydrophobicContact CB-CE2 3.85Å; A1055-F1139 HydrophobicContact CB-CG 4.49Å; A1055-F1139 HydrophobicContact CB-CZ 3.55Å; R1056-F1139 HydrophobicContact CB-CZ 4.42Å; L1059-F1139 HydrophobicContact CD1-CD1 4.1Å; L1059-F1139 HydrophobicContact CD1-CE1 3.98Å; L1133-F1139 HydrophobicContact CB-CD2 4.47Å; L1133-F1139 HydrophobicContact CD2-CD2 3.71Å; L1133-F1139 HydrophobicContact CD2-CE2 3.86Å; F1139-L1141 HydrophobicContact CB-CD1 4.11Å; F1139-L1160 HydrophobicContact CB-CD1 3.71Å; F1139-L1160 HydrophobicContact CD1-CD1 3.88Å; F1139-L1160 HydrophobicContact CG-CD1 4.04Å; F1139-G1162 WeakPolarHBondContact CA-O 3.47Å; F1139-T1163 HydrophobicContact CD1-CG2 3.98Å; F1139-T1163 HydrophobicContact CE1-CG2 3.81Å; F1139-S1164 PolarHBondContact N-OG 3.04Å; F1139-S1164 PolarHBondContact O-OG 3.21Å; F1139-S1164 VanDerWaalsContact O-OG 3.08Å |
| 1140 | T | 91.5 | Very high | 89.2 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 37% | 0.368 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | V1161 G1162 S1164 | T1140-V1161 PolarHBondContact O-N 3.13Å; T1140-G1162 PolarHBondContact N-O 3.21Å; T1140-S1164 PolarHBondContact N-OG 2.02Å; T1140-S1164 PolarHBondContact OG1-OG 3.15Å; T1140-S1164 VanDerWaalsContact OG1-OG 3.05Å |
| 1141 | L | 92.6 | Very high | 88.6 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.3 | 178.7 | -65.4 | 100 | 0 | 0 | 0 | 111.3 | V1125 K1130 L1133 F1139 W1159 L1160 | V1125-L1141 HydrophobicContact CB-CD2 4.2Å; V1125-L1141 HydrophobicContact CG1-CD2 4.06Å; V1125-L1141 HydrophobicContact CG2-CD2 4.37Å; K1130-L1141 HydrophobicContact CB-CD2 4.25Å; K1130-L1141 HydrophobicContact CG-CD2 4Å; L1133-L1141 HydrophobicContact CB-CD1 4.12Å; L1133-L1141 HydrophobicContact CD1-CD1 4.37Å; L1133-L1141 HydrophobicContact CD1-CD2 4.11Å; F1139-L1141 HydrophobicContact CB-CD1 4.11Å; L1141-W1159 CarbonylContact C-O 3.45Å; L1141-W1159 WeakPolarHBondContact CA-O 3.33Å; L1141-L1160 HydrophobicContact CD1-CD1 4.48Å; L1141-L1160 HydrophobicContact CG-CD1 4.15Å |
| 1142 | D | 93 | Very high | 88.2 | Confident | 86 Ų | 86 | 72 Ų | 72 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 143.6 | 176 | -71.7 | -14.1 | 0 | 0 | 0 | 111 | R1144 Y1158 W1159 V1161 | D1142-R1144 PolarHBondContact O-N 3.18Å; D1142-Y1158 CarbonylContact O-C 3.52Å; D1142-Y1158 WeakPolarHBondContact O-CA 3.39Å; D1142-Y1158 WeakPolarHBondContact O-CB 3.45Å; D1142-W1159 HydrophobicContact CB-CB 4.39Å; D1142-W1159 PolarHBondContact N-O 3.36Å; D1142-W1159 PolarHBondContact O-N 3.44Å; D1142-V1161 HydrophobicContact CB-CG2 4.12Å; D1142-V1161 WeakPolarHBondContact OD2-CG2 3.49Å |
| 1143 | L | 94.2 | Very high | 87.9 | Confident | 117 Ų | 117 | 72.2 Ų | 72.2 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 120.5 | 173 | -179.8 | 65.3 | 0 | 0 | 0 | 109.7 | T1156 Y1158 | L1143-T1156 HydrophobicContact CD1-CG2 3.58Å; L1143-Y1158 HydrophobicContact CB-CD1 4.48Å; L1143-Y1158 HydrophobicContact CB-CE1 4.45Å; L1143-Y1158 HydrophobicContact CD1-CD1 4.12Å; L1143-Y1158 HydrophobicContact CD1-CE1 3.63Å |
| 1144 | R | 90.6 | Very high | 87.8 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 25% | 0.245 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -36.1 | 170 | 176.8 | 178.9 | 175.1 | 160.3 | -1.5 | 111.3 | T1117 H1124 D1142 V1147 T1157 W1159 | T1117-R1144 PolarHBondContact O-NH1 3.19Å; T1117-R1144 PolarHBondContact O-NH2 3.18Å; H1124-R1144 PolarHBondContact CE1-NH1 3.49Å; H1124-R1144 PolarHBondContact ND1-NH1 3.47Å; H1124-R1144 WeakPolarHBondContact NE2-CD 3.45Å; H1124-R1144 PolarHBondContact NE2-NH1 3.49Å; D1142-R1144 PolarHBondContact O-N 3.18Å; R1144-V1147 HydrophobicContact CG-CG2 4.32Å; R1144-V1147 VanDerWaalsContact NE-CG2 3.34Å; R1144-T1157 VanDerWaalsContact CB-O 3.31Å; R1144-T1157 WeakPolarHBondContact CB-O 3.4Å; R1144-T1157 WeakPolarHBondContact CD-OG1 3.46Å; R1144-T1157 PolarHBondContact N-O 3.45Å; R1144-W1159 HydrophobicContact CB-CD2 4.42Å; R1144-W1159 HydrophobicContact CB-CG 4.37Å; R1144-W1159 HydrophobicContact CB-CZ2 4.47Å; R1144-W1159 HydrophobicContact CG-CZ2 3.76Å |
| 1145 | G | 90.5 | Very high | 87.9 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 23% | 0.227 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -164.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1157 | G1145-T1157 PolarHBondContact O-N 3.01Å; G1145-T1157 VanDerWaalsContact O-N 3.07Å; G1145-T1157 PolarHBondContact O-OG1 2.91Å |
| 1146 | E | 91.6 | Very high | 88.3 | Confident | 153 Ų | 153 | 73.4 Ų | 73.4 | 72% | 0.715 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.7 | -178.7 | -77.3 | -175.7 | -178.4 | 0 | 0 | 111.1 | V1154 | E1146-V1154 HydrophobicContact CB-CG1 3.48Å; E1146-V1154 VanDerWaalsContact CB-CG1 3.48Å; E1146-V1154 HydrophobicContact CG-CG1 3.73Å |
| 1147 | V | 90 | Very high | 88.8 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.4 | 178.4 | 180 | 0 | 0 | 0 | 0 | 108.6 | T1117 R1144 M1149 Q1155 T1157 | T1117-V1147 HydrophobicContact CG2-CG1 4.17Å; R1144-V1147 HydrophobicContact CG-CG2 4.32Å; R1144-V1147 VanDerWaalsContact NE-CG2 3.34Å; V1147-M1149 HydrophobicContact CB-CE 4.21Å; V1147-M1149 HydrophobicContact CG1-CE 4.01Å; V1147-M1149 HydrophobicContact CG1-CG 4.36Å; V1147-M1149 PolarHBondContact O-N 3.28Å; V1147-Q1155 PolarHBondContact N-O 3.39Å; V1147-Q1155 PolarHBondContact O-N 2.93Å; V1147-T1157 WeakPolarHBondContact CG2-OG1 3.47Å |
| 1148 | E | 90.7 | Very high | 89.6 | Confident | 162 Ų | 162 | 66 Ų | 66 | 76% | 0.757 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.6 | 174.5 | -170.1 | 175.7 | -169.6 | 0 | 0 | 110.4 | ||
| 1149 | M | 85.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.8 | 179.8 | -68.2 | -172.4 | -175.7 | 0 | 0 | 110.9 | R1113 M1114 T1117 V1147 G1151 K1152 G1153 Q1155 T1157 | R1113-M1149 HydrophobicContact CB-SD 4.36Å; M1114-M1149 HydrophobicContact CE-CE 3.26Å; M1114-M1149 HydrophobicContact CE-SD 3.18Å; M1114-M1149 WeakPolarHBondContact CE-SD 3.46Å; M1114-M1149 HydrophobicContact SD-CE 3.68Å; M1114-M1149 HydrophobicContact SD-SD 4.37Å; T1117-M1149 HydrophobicContact CG2-CG 4.46Å; V1147-M1149 HydrophobicContact CB-CE 4.21Å; V1147-M1149 HydrophobicContact CG1-CE 4.01Å; V1147-M1149 HydrophobicContact CG1-CG 4.36Å; V1147-M1149 PolarHBondContact O-N 3.28Å; M1149-G1151 PolarHBondContact O-N 2.97Å; M1149-K1152 HydrophobicContact CB-CB 4.04Å; M1149-K1152 PolarHBondContact O-N 2.89Å; M1149-G1153 PolarHBondContact N-O 3.16Å; M1149-G1153 PolarHBondContact O-N 3.24Å; M1149-G1153 VanDerWaalsContact O-N 3.1Å; M1149-Q1155 HydrophobicContact SD-CB 4.28Å; M1149-Q1155 HydrophobicContact SD-CG 4.29Å; M1149-T1157 HydrophobicContact CE-CG2 3.76Å |
| 1150 | K | 82.1 | Confident | 90.4 | Very high | 187 Ų | 187 | 65.4 Ų | 65.4 | 81% | 0.813 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 116.2 | 179.5 | -173 | 177.1 | -177.6 | 178 | 0 | 110.7 | R1113 K1152 | R1113-K1150 PolarHBondContact NE-O 3.2Å; R1113-K1150 PolarHBondContact NH1-O 3.46Å; R1113-K1150 PolarHBondContact NH2-O 3.38Å; K1150-K1152 VanDerWaalsContact C-N 3.32Å; K1150-K1152 PolarHBondContact O-N 3.2Å |
| 1151 | G | 81.7 | Confident | 90.4 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 78% | 0.784 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 0.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | M1149 | M1149-G1151 PolarHBondContact O-N 2.97Š|
| 1152 | K | 83.3 | Confident | 90.2 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -9 | 172.9 | -75.5 | -81.1 | -174.1 | 168.9 | 0 | 113.1 | D1106 T1110 M1149 K1150 Q1155 | D1106-K1152 IonicContact OD1-NZ 2.82Å; D1106-K1152 VanDerWaalsContact OD2-CE 3.24Å; D1106-K1152 WeakPolarHBondContact OD2-CE 3.17Å; D1106-K1152 IonicContact OD2-NZ 2.78Å; D1106-K1152 PolarHBondContact OD2-NZ 3.36Å; T1110-K1152 VanDerWaalsContact OG1-CE 3.3Å; T1110-K1152 WeakPolarHBondContact OG1-CE 3.2Å; M1149-K1152 HydrophobicContact CB-CB 4.04Å; M1149-K1152 PolarHBondContact O-N 2.89Å; K1150-K1152 VanDerWaalsContact C-N 3.32Å; K1150-K1152 PolarHBondContact O-N 3.2Å; K1152-Q1155 HydrophobicContact CB-CG 4.15Å; K1152-Q1155 PolarHBondContact O-NE2 3.28Å |
| 1153 | G | 87.4 | Confident | 89.8 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.5 | -159.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1149 | M1149-G1153 PolarHBondContact N-O 3.16Å; M1149-G1153 PolarHBondContact O-N 3.24Å; M1149-G1153 VanDerWaalsContact O-N 3.1Å |
| 1154 | V | 90.3 | Very high | 88.7 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.7 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | E1146 | E1146-V1154 HydrophobicContact CB-CG1 3.48Å; E1146-V1154 VanDerWaalsContact CB-CG1 3.48Å; E1146-V1154 HydrophobicContact CG-CG1 3.73Å |
| 1155 | Q | 90.1 | Very high | 87.1 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.8 | -179.3 | -66.1 | -68.1 | -36.7 | 0 | 0 | 110.2 | V1147 M1149 K1152 T1157 | V1147-Q1155 PolarHBondContact N-O 3.39Å; V1147-Q1155 PolarHBondContact O-N 2.93Å; M1149-Q1155 HydrophobicContact SD-CB 4.28Å; M1149-Q1155 HydrophobicContact SD-CG 4.29Å; K1152-Q1155 HydrophobicContact CB-CG 4.15Å; K1152-Q1155 PolarHBondContact O-NE2 3.28Å; Q1155-T1157 HydrophobicContact CB-CG2 4.44Å |
| 1156 | T | 93.6 | Very high | 84.6 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.7 | 172.3 | -51 | 0 | 0 | 0 | 0 | 109.8 | L1143 | L1143-T1156 HydrophobicContact CD1-CG2 3.58Å |
| 1157 | T | 94.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 168.1 | -173.8 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | M1114 H1124 R1144 G1145 V1147 M1149 Q1155 | M1114-T1157 HydrophobicContact CE-CG2 4.49Å; M1114-T1157 HydrophobicContact SD-CG2 4.05Å; H1124-T1157 WeakPolarHBondContact NE2-CB 3.17Å; H1124-T1157 WeakPolarHBondContact NE2-CG2 3.43Å; H1124-T1157 PolarHBondContact NE2-OG1 3.27Å; R1144-T1157 VanDerWaalsContact CB-O 3.31Å; R1144-T1157 WeakPolarHBondContact CB-O 3.4Å; R1144-T1157 WeakPolarHBondContact CD-OG1 3.46Å; R1144-T1157 PolarHBondContact N-O 3.45Å; G1145-T1157 PolarHBondContact O-N 3.01Å; G1145-T1157 VanDerWaalsContact O-N 3.07Å; G1145-T1157 PolarHBondContact O-OG1 2.91Å; V1147-T1157 WeakPolarHBondContact CG2-OG1 3.47Å; M1149-T1157 HydrophobicContact CE-CG2 3.76Å; Q1155-T1157 HydrophobicContact CB-CG2 4.44Å |
| 1158 | Y | 96.1 | Very high | 78.8 | Confident | 38 Ų | 38 | 68 Ų | 68 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 156.5 | -170.1 | -56.2 | -89.4 | 0 | 0 | 0 | 111.5 | V1125 K1130 D1142 L1143 | V1125-Y1158 PolarHBondContact N-O 2.94Å; V1125-Y1158 PolarHBondContact O-N 2.73Å; K1130-Y1158 HydrophobicContact CB-CD2 3.68Å; K1130-Y1158 HydrophobicContact CB-CE2 4.05Å; K1130-Y1158 HydrophobicContact CB-CG 4.22Å; K1130-Y1158 HydrophobicContact CD-CD1 4.15Å; K1130-Y1158 HydrophobicContact CD-CD2 3.84Å; K1130-Y1158 HydrophobicContact CD-CE1 3.87Å; K1130-Y1158 HydrophobicContact CD-CE2 3.54Å; K1130-Y1158 HydrophobicContact CD-CG 4.15Å; K1130-Y1158 VanDerWaalsContact CE-CZ 3.46Å; K1130-Y1158 HydrophobicContact CG-CD1 4.12Å; K1130-Y1158 HydrophobicContact CG-CD2 3.64Å; K1130-Y1158 HydrophobicContact CG-CE1 4.36Å; K1130-Y1158 HydrophobicContact CG-CE2 3.9Å; K1130-Y1158 HydrophobicContact CG-CG 3.77Å; D1142-Y1158 CarbonylContact O-C 3.52Å; D1142-Y1158 WeakPolarHBondContact O-CA 3.39Å; D1142-Y1158 WeakPolarHBondContact O-CB 3.45Å; L1143-Y1158 HydrophobicContact CB-CD1 4.48Å; L1143-Y1158 HydrophobicContact CB-CE1 4.45Å; L1143-Y1158 HydrophobicContact CD1-CD1 4.12Å; L1143-Y1158 HydrophobicContact CD1-CE1 3.63Å |
| 1159 | W | 95.7 | Very high | 75.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 10% | 0.102 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.8 | 169.2 | -63.5 | 117.9 | 0 | 0 | 0 | 109.3 | M1119 K1122 I1123 H1124 L1141 D1142 R1144 | M1119-W1159 HydrophobicContact CB-CH2 3.63Å; M1119-W1159 HydrophobicContact CB-CZ2 4.18Å; M1119-W1159 HydrophobicContact CB-CZ3 4.33Å; M1119-W1159 HydrophobicContact CE-CZ2 4.31Å; M1119-W1159 HydrophobicContact CG-CH2 3.63Å; M1119-W1159 HydrophobicContact CG-CZ2 3.8Å; M1119-W1159 HydrophobicContact SD-CH2 4.18Å; M1119-W1159 HydrophobicContact SD-CZ2 3.74Å; K1122-W1159 HydrophobicContact CB-CD2 4.45Å; K1122-W1159 HydrophobicContact CB-CE3 3.66Å; K1122-W1159 HydrophobicContact CB-CH2 4.29Å; K1122-W1159 HydrophobicContact CB-CZ3 3.57Å; K1122-W1159 HydrophobicContact CD-CD2 4.11Å; K1122-W1159 HydrophobicContact CD-CE3 4.13Å; K1122-W1159 HydrophobicContact CD-CH2 4.37Å; K1122-W1159 HydrophobicContact CD-CZ2 4.33Å; K1122-W1159 HydrophobicContact CD-CZ3 4.26Å; I1123-W1159 WeakPolarHBondContact O-CA 3.01Å; H1124-W1159 HydrophobicContact CB-CE3 4.22Å; H1124-W1159 HydrophobicContact CB-CH2 4.37Å; H1124-W1159 HydrophobicContact CB-CZ3 3.65Å; L1141-W1159 CarbonylContact C-O 3.45Å; L1141-W1159 WeakPolarHBondContact CA-O 3.33Å; D1142-W1159 HydrophobicContact CB-CB 4.39Å; D1142-W1159 PolarHBondContact N-O 3.36Å; D1142-W1159 PolarHBondContact O-N 3.44Å; R1144-W1159 HydrophobicContact CB-CD2 4.42Å; R1144-W1159 HydrophobicContact CB-CG 4.37Å; R1144-W1159 HydrophobicContact CB-CZ2 4.47Å; R1144-W1159 HydrophobicContact CG-CZ2 3.76Å |
| 1160 | L | 94.2 | Very high | 73.4 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.042 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.1 | 167.2 | 175.4 | 66.2 | 0 | 0 | 0 | 108.9 | A1055 L1059 I1123 V1125 F1139 L1141 | A1055-L1160 HydrophobicContact CB-CD2 3.8Å; L1059-L1160 HydrophobicContact CD1-CD2 4.43Å; L1059-L1160 HydrophobicContact CD2-CD2 4.49Å; L1059-L1160 HydrophobicContact CD2-CG 4.37Å; L1059-L1160 HydrophobicContact CG-CD2 4.17Å; I1123-L1160 HydrophobicContact CB-CB 4.01Å; I1123-L1160 HydrophobicContact CD1-CD2 4.17Å; I1123-L1160 HydrophobicContact CG2-CB 3.84Å; I1123-L1160 HydrophobicContact CG2-CD2 4.09Å; I1123-L1160 PolarHBondContact O-N 3.36Å; V1125-L1160 HydrophobicContact CG2-CB 3.75Å; F1139-L1160 HydrophobicContact CB-CD1 3.71Å; F1139-L1160 HydrophobicContact CD1-CD1 3.88Å; F1139-L1160 HydrophobicContact CG-CD1 4.04Å; L1141-L1160 HydrophobicContact CD1-CD1 4.48Å; L1141-L1160 HydrophobicContact CG-CD1 4.15Å |
| 1161 | V | 90.9 | Very high | 70.9 | Confident | 82 Ų | 82 | 76 Ų | 76 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -42.5 | -172.4 | -176 | 0 | 0 | 0 | 0 | 111.9 | T1140 D1142 | T1140-V1161 PolarHBondContact O-N 3.13Å; D1142-V1161 HydrophobicContact CB-CG2 4.12Å; D1142-V1161 WeakPolarHBondContact OD2-CG2 3.49Å |
| 1162 | G | 88.5 | Confident | 70.4 | Confident | 19 Ų | 19 | 76 Ų | 76 | 20% | 0.196 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -169.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1139 T1140 | F1139-G1162 WeakPolarHBondContact CA-O 3.47Å; T1140-G1162 PolarHBondContact N-O 3.21Å |
| 1163 | T | 84.3 | Confident | 69.7 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.5 | 176.5 | 50 | 0 | 0 | 0 | 0 | 111.1 | L1059 S1138 F1139 S1165 | L1059-T1163 HydrophobicContact CD1-CG2 4.07Å; S1138-T1163 CarbonylContact O-C 3.59Å; S1138-T1163 VanDerWaalsContact O-CA 3.31Å; S1138-T1163 WeakPolarHBondContact O-CA 3.21Å; F1139-T1163 HydrophobicContact CD1-CG2 3.98Å; F1139-T1163 HydrophobicContact CE1-CG2 3.81Å; T1163-S1165 VanDerWaalsContact C-N 3.34Å; T1163-S1165 PolarHBondContact O-N 3.27Å |
| 1164 | S | 71.8 | Confident | 68.7 | Low | 64 Ų | 64 | 78.1 Ų | 78.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -80.2 | -4 | -172.9 | -60.8 | 0 | 0 | 0 | 0 | 115.2 | S1138 F1139 T1140 | S1138-S1164 PolarHBondContact O-N 3.26Å; F1139-S1164 PolarHBondContact N-OG 3.04Å; F1139-S1164 PolarHBondContact O-OG 3.21Å; F1139-S1164 VanDerWaalsContact O-OG 3.08Å; T1140-S1164 PolarHBondContact N-OG 2.02Å; T1140-S1164 PolarHBondContact OG1-OG 3.15Å; T1140-S1164 VanDerWaalsContact OG1-OG 3.05Å |
| 1165 | S | 55.5 | Low | 67.4 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | trans | -121.8 | 109.2 | 179.5 | 45.3 | 0 | 0 | 0 | 0 | 112 | T1163 S1167 | T1163-S1165 VanDerWaalsContact C-N 3.34Å; T1163-S1165 PolarHBondContact O-N 3.27Å; S1165-S1167 PolarHBondContact O-N 2.84Å | ||
| 1166 | G | 38.2 | Very low | 66 | Low | 92 Ų | 92 | 78.6 Ų | 78.6 | 95% | 0.948 | 51% | 0.512 | S | S | * | . | trans | -75.7 | 88.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1167 | S | 32.5 | Very low | 64.2 | Low | 88 Ų | 88 | 80.1 Ų | 80.1 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | trans | -152.6 | 112.2 | 166.9 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | S1165 | S1165-S1167 PolarHBondContact O-N 2.84Š| ||
| 1168 | S | 28.3 | Very low | 62 | Low | 110 Ų | 110 | 85.8 Ų | 85.8 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | trans | -42.3 | 155.2 | 157.9 | 33 | 0 | 0 | 0 | 0 | 114 | ||||
| 1169 | E | 29.1 | Very low | 59.3 | Low | 185 Ų | 185 | 89.5 Ų | 89.5 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | 80.8 | 118.5 | 178 | -52.8 | 178.3 | 170.2 | 0 | 0 | 112.7 | ||||
| 1170 | V | 33.7 | Very low | 56.3 | Low | 142 Ų | 142 | 94.7 Ų | 94.7 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | -152.2 | 133.2 | 54 | 175 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1171 | S | 28.7 | Very low | 52.9 | Low | 191 Ų | 191 | 102.5 Ų | 102.5 | 100% | 1.336 | 69% | 0.686 | S | S | * | * | trans | -58.5 | 0 | 171.4 | -19.6 | 0 | 0 | 0 | 0 | 114.1 |
Retrieved 1,171 of 1,171 residues in 2359.8 ms
(Link to these results)