| 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 | 35.8 | Very low | 50.1 | Low | 245 Ų | 245 | 133.7 Ų | 133.7 | 100% | 1.207 | 75% | 0.748 | S | S | * | * | 0 | 113.9 | 0 | -71.8 | 161.2 | 176.8 | 0 | 0 | 107.5 | |||||
| 2 | A | 39.6 | Very low | 51.3 | Low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -120.1 | 98.8 | -177 | 0 | 0 | 0 | 0 | 0 | 110.2 | G4 | A2-G4 PolarHBondContact O-N 3.28Š| ||
| 3 | P | 50.2 | Low | 52.3 | Low | 139 Ų | 139 | 124.8 Ų | 124.8 | 90% | 0.903 | 71% | 0.71 | S | S | * | * | trans | -85.7 | 79.5 | 176.4 | 32.3 | -29 | 0 | 0 | 0 | 109.5 | ||||
| 4 | G | 50 | Low | 52.8 | Low | 54 Ų | 54 | 129.1 Ų | 129.1 | 56% | 0.557 | 71% | 0.709 | S | S | * | * | trans | -131.2 | -13.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | A2 | A2-G4 PolarHBondContact O-N 3.28Š| ||
| 5 | L | 50 | Low | 53.6 | Low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -121.6 | 1.9 | -162.4 | -78.4 | 146.5 | 0 | 0 | 0 | 116 | ||
| 6 | R | 53.4 | Low | 54.1 | Low | 252 Ų | 252 | 128.4 Ų | 128.4 | 95% | 0.951 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -86.2 | -8.6 | -174.7 | -80.3 | -178.1 | 153.8 | -150.6 | -5 | 115.6 | ||
| 7 | G | 51.4 | Low | 54.4 | Low | 54 Ų | 54 | 126.4 Ų | 126.4 | 56% | 0.557 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -100.9 | -17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P9 | G7-P9 VanDerWaalsContact C-CD 3.43Š|
| 8 | L | 51.8 | Low | 54.4 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 59% | 0.592 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.7 | -36.1 | -175.7 | -95.6 | 74.7 | 0 | 0 | 0 | 116.2 | R10 C11 G12 | L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.38Å; L8-C11 PolarHBondContact O-N 3.37Å; L8-G12 PolarHBondContact O-N 3.46Å |
| 9 | P | 54.6 | Low | 54.5 | Low | 89 Ų | 89 | 120.5 Ų | 120.5 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.7 | -25.5 | -168.6 | 26.8 | -32.9 | 0 | 0 | 0 | 112.3 | G7 L13 | G7-P9 VanDerWaalsContact C-CD 3.43Å; P9-L13 WeakPolarHBondContact O-CB 2.95Å; P9-L13 PolarHBondContact O-N 3.08Å; P9-L13 VanDerWaalsContact O-N 3.1Å |
| 10 | R | 56.5 | Low | 54.3 | Low | 198 Ų | 198 | 120.7 Ų | 120.7 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72 | -54.6 | 175.2 | -95.5 | 178.6 | 175.3 | 172.2 | -1.5 | 111 | L8 G12 L13 W14 | L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.38Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 3.49Å; R10-L13 PolarHBondContact O-N 3.08Å; R10-W14 PolarHBondContact O-N 3.32Å |
| 11 | C | 57.3 | Low | 54 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 55% | 0.547 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.3 | -42 | -179.1 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | L8 L13 W14 L15 | L8-C11 PolarHBondContact O-N 3.37Å; C11-L13 PolarHBondContact O-N 3.46Å; C11-W14 PolarHBondContact O-N 2.9Å; C11-L15 WeakPolarHBondContact O-CD1 3.4Å; C11-L15 PolarHBondContact O-N 2.94Å |
| 12 | G | 65.3 | Low | 54.8 | Low | 40 Ų | 40 | 111 Ų | 111 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.7 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L8 R10 L15 L16 | L8-G12 PolarHBondContact O-N 3.46Å; R10-G12 VanDerWaalsContact C-N 3.33Å; R10-G12 PolarHBondContact O-N 3.49Å; G12-L15 PolarHBondContact O-N 3.44Å; G12-L16 WeakPolarHBondContact O-CB 3.39Å; G12-L16 PolarHBondContact O-N 3.13Å |
| 13 | L | 63.4 | Low | 55.2 | Low | 112 Ų | 112 | 111 Ų | 111 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.4 | -39 | 176.5 | -173 | 66.7 | 0 | 0 | 0 | 112.1 | P9 R10 C11 L16 L17 | P9-L13 WeakPolarHBondContact O-CB 2.95Å; P9-L13 PolarHBondContact O-N 3.08Å; P9-L13 VanDerWaalsContact O-N 3.1Å; R10-L13 PolarHBondContact O-N 3.08Å; C11-L13 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 3.43Å; L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.85Å |
| 14 | W | 60.3 | Low | 54.8 | Low | 185 Ų | 185 | 108.3 Ų | 108.3 | 70% | 0.701 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.6 | -41.1 | 174.2 | -83.8 | 103.6 | 0 | 0 | 0 | 112.2 | R10 C11 L17 A18 | R10-W14 PolarHBondContact O-N 3.32Å; C11-W14 PolarHBondContact O-N 2.9Å; W14-L17 PolarHBondContact O-N 3.21Å; W14-A18 WeakPolarHBondContact O-CB 3.14Å; W14-A18 PolarHBondContact O-N 3.34Å |
| 15 | L | 63.6 | Low | 54.3 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 67% | 0.67 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.3 | -43.5 | 173.2 | -91.7 | 104.1 | 0 | 0 | 0 | 111.6 | C11 G12 L17 A18 H19 | C11-L15 WeakPolarHBondContact O-CD1 3.4Å; C11-L15 PolarHBondContact O-N 2.94Å; G12-L15 PolarHBondContact O-N 3.44Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.31Å; L15-A18 PolarHBondContact O-N 2.87Å; L15-H19 VanDerWaalsContact O-CB 3.23Å; L15-H19 WeakPolarHBondContact O-CB 3.13Å; L15-H19 PolarHBondContact O-N 3Å |
| 16 | L | 62.2 | Low | 53.9 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 178.3 | -144 | 80.8 | 0 | 0 | 0 | 111.2 | G12 L13 H19 H20 | G12-L16 WeakPolarHBondContact O-CB 3.39Å; G12-L16 PolarHBondContact O-N 3.13Å; L13-L16 PolarHBondContact O-N 3.43Å; L16-H19 PolarHBondContact O-N 3.25Å; L16-H20 WeakPolarHBondContact O-CB 3.26Å; L16-H20 PolarHBondContact O-N 2.69Å |
| 17 | L | 58.8 | Low | 53.1 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.6 | -40.5 | 178 | -151.8 | 74.5 | 0 | 0 | 0 | 111.2 | L13 W14 L15 H19 H20 L21 | L13-L17 VanDerWaalsContact O-CB 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.85Å; W14-L17 PolarHBondContact O-N 3.21Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.31Å; L17-H19 VanDerWaalsContact C-N 3.32Å; L17-H19 PolarHBondContact O-N 3.46Å; L17-H20 PolarHBondContact O-N 2.82Å; L17-L21 HydrophobicContact CG-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CD1 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.12Å |
| 18 | A | 55.8 | Low | 52.5 | Low | 57 Ų | 57 | 103.6 Ų | 103.6 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W14 L15 F22 | W14-A18 WeakPolarHBondContact O-CB 3.14Å; W14-A18 PolarHBondContact O-N 3.34Å; L15-A18 PolarHBondContact O-N 2.87Å; A18-F22 WeakPolarHBondContact O-CB 3.15Å; A18-F22 PolarHBondContact O-N 3.39Å |
| 19 | H | 54.6 | Low | 52.1 | Low | 85 Ų | 85 | 101.6 Ų | 101.6 | 39% | 0.394 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.8 | -177.5 | -73.7 | 0 | 0 | 0 | 112 | L15 L16 L17 F22 M23 L78 | L15-H19 VanDerWaalsContact O-CB 3.23Å; L15-H19 WeakPolarHBondContact O-CB 3.13Å; L15-H19 PolarHBondContact O-N 3Å; L16-H19 PolarHBondContact O-N 3.25Å; L17-H19 VanDerWaalsContact C-N 3.32Å; L17-H19 PolarHBondContact O-N 3.46Å; H19-F22 PolarHBondContact O-N 2.88Å; H19-M23 WeakPolarHBondContact O-CB 3.49Å; H19-M23 VanDerWaalsContact O-CG 3.29Å; H19-M23 WeakPolarHBondContact O-CG 3.28Å; H19-M23 PolarHBondContact O-N 3.35Å; H19-L78 WeakPolarHBondContact CD2-CD2 3.31Å; H19-L78 WeakPolarHBondContact NE2-CD2 3.14Å |
| 20 | H | 50.5 | Low | 51.9 | Low | 124 Ų | 124 | 102.2 Ų | 102.2 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.2 | -38.9 | 177.3 | -138.3 | -68.1 | 0 | 0 | 0 | 111.7 | L16 L17 M23 V24 | L16-H20 WeakPolarHBondContact O-CB 3.26Å; L16-H20 PolarHBondContact O-N 2.69Å; L17-H20 PolarHBondContact O-N 2.82Å; H20-M23 PolarHBondContact O-N 3.3Å; H20-V24 VanDerWaalsContact O-CB 3.25Å; H20-V24 WeakPolarHBondContact O-CB 3.13Å; H20-V24 VanDerWaalsContact O-CG2 3.24Å; H20-V24 WeakPolarHBondContact O-CG2 2.85Å; H20-V24 PolarHBondContact O-N 2.79Å |
| 21 | L | 48.9 | Very low | 51.5 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 171.8 | -77.4 | 165.2 | 0 | 0 | 0 | 109.8 | L17 M23 V24 T25 | L17-L21 HydrophobicContact CG-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CD1 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.39Å; L17-L21 PolarHBondContact O-N 3.12Å; L21-M23 PolarHBondContact O-N 3.15Å; L21-V24 CarbonylContact O-C 3.46Å; L21-V24 PolarHBondContact O-N 3.43Å; L21-T25 VanDerWaalsContact O-CB 3.23Å; L21-T25 WeakPolarHBondContact O-CB 3.21Å; L21-T25 WeakPolarHBondContact O-CG2 3.39Å; L21-T25 PolarHBondContact O-N 3.24Å; L21-T25 PolarHBondContact O-OG1 2.83Å |
| 22 | F | 52.1 | Low | 51 | Low | 66 Ų | 66 | 97.6 Ų | 97.6 | 29% | 0.289 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 177.3 | -166.3 | -100.2 | 0 | 0 | 0 | 113.2 | A18 H19 T25 A26 Y32 M74 L78 | A18-F22 WeakPolarHBondContact O-CB 3.15Å; A18-F22 PolarHBondContact O-N 3.39Å; H19-F22 PolarHBondContact O-N 2.88Å; F22-T25 WeakPolarHBondContact CA-OG1 3.03Å; F22-T25 PolarHBondContact O-OG1 3.31Å; F22-A26 WeakPolarHBondContact O-CB 2.97Å; F22-A26 PolarHBondContact O-N 3.47Å; F22-Y32 WeakPolarHBondContact CE2-OH 3.1Å; F22-M74 HydrophobicContact CD1-CE 4.17Å; F22-M74 HydrophobicContact CE1-CE 3.15Å; F22-M74 HydrophobicContact CE1-CG 4.21Å; F22-M74 HydrophobicContact CE1-SD 3.88Å; F22-M74 HydrophobicContact CE2-CE 4.26Å; F22-M74 HydrophobicContact CZ-CE 3.21Å; F22-M74 HydrophobicContact CZ-CG 4.21Å; F22-M74 HydrophobicContact CZ-SD 3.48Å; F22-M74 WeakPolarHBondContact CZ-SD 3.44Å; F22-L78 HydrophobicContact CE1-CD1 4.33Å |
| 23 | M | 48.8 | Very low | 50.4 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 173.1 | -78 | -84 | 170.1 | 0 | 0 | 112.1 | H19 H20 L21 L78 | H19-M23 WeakPolarHBondContact O-CB 3.49Å; H19-M23 VanDerWaalsContact O-CG 3.29Å; H19-M23 WeakPolarHBondContact O-CG 3.28Å; H19-M23 PolarHBondContact O-N 3.35Å; H20-M23 PolarHBondContact O-N 3.3Å; L21-M23 PolarHBondContact O-N 3.15Å; M23-L78 HydrophobicContact CE-CD1 4.05Å |
| 24 | V | 41.2 | Very low | 49.9 | Very low | 81 Ų | 81 | 94.9 Ų | 94.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -79.3 | -37.9 | 179.9 | 164.8 | 0 | 0 | 0 | 0 | 112.3 | H20 L21 C27 | H20-V24 VanDerWaalsContact O-CB 3.25Å; H20-V24 WeakPolarHBondContact O-CB 3.13Å; H20-V24 VanDerWaalsContact O-CG2 3.24Å; H20-V24 WeakPolarHBondContact O-CG2 2.85Å; H20-V24 PolarHBondContact O-N 2.79Å; L21-V24 CarbonylContact O-C 3.46Å; L21-V24 PolarHBondContact O-N 3.43Å; V24-C27 PolarHBondContact O-N 2.85Å |
| 25 | T | 39.4 | Very low | 49.8 | Very low | 39 Ų | 39 | 90.6 Ų | 90.6 | 24% | 0.239 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -73.4 | -29.5 | -178.5 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | L21 F22 C27 R28 D29 | L21-T25 VanDerWaalsContact O-CB 3.23Å; L21-T25 WeakPolarHBondContact O-CB 3.21Å; L21-T25 WeakPolarHBondContact O-CG2 3.39Å; L21-T25 PolarHBondContact O-N 3.24Å; L21-T25 PolarHBondContact O-OG1 2.83Å; F22-T25 WeakPolarHBondContact CA-OG1 3.03Å; F22-T25 PolarHBondContact O-OG1 3.31Å; T25-C27 PolarHBondContact O-N 2.98Å; T25-R28 PolarHBondContact O-N 3.38Å; T25-D29 PolarHBondContact O-N 2.96Å |
| 26 | A | 41.5 | Very low | 49.7 | Very low | 38 Ų | 38 | 86 Ų | 86 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -12.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F22 R71 | F22-A26 WeakPolarHBondContact O-CB 2.97Å; F22-A26 PolarHBondContact O-N 3.47Å; A26-R71 PolarHBondContact O-NH2 2.85Å |
| 27 | C | 38.1 | Very low | 49.5 | Very low | 107 Ų | 107 | 84.9 Ų | 84.9 | 72% | 0.723 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -104.7 | -20.4 | 176.8 | -154.7 | 0 | 0 | 0 | 0 | 113.5 | V24 T25 | V24-C27 PolarHBondContact O-N 2.85Å; T25-C27 PolarHBondContact O-N 2.98Å |
| 28 | R | 38.5 | Very low | 49.6 | Very low | 223 Ų | 223 | 85.8 Ų | 85.8 | 84% | 0.842 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -138.9 | 15.4 | -160.8 | -138.9 | -168.7 | -169.5 | -177.7 | 3.4 | 117.1 | T25 | T25-R28 PolarHBondContact O-N 3.38Å |
| 29 | D | 43.6 | Very low | 49.9 | Very low | 70 Ų | 70 | 86.9 Ų | 86.9 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | trans | -124.8 | 122.2 | -175.6 | -153.8 | -82.4 | 0 | 0 | 0 | 114 | T25 D31 | T25-D29 PolarHBondContact O-N 2.96Å; D29-D31 VanDerWaalsContact C-N 3.31Å; D29-D31 VanDerWaalsContact OD1-CB 3.26Å; D29-D31 WeakPolarHBondContact OD1-CB 3.47Å; D29-D31 PolarHBondContact OD1-N 2.86Å | ||
| 30 | P | 49.3 | Very low | 50.4 | Low | 102 Ų | 102 | 83.6 Ų | 83.6 | 66% | 0.662 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.1 | -25 | 177.5 | 28.3 | -32.7 | 0 | 0 | 0 | 113 | Y32 G33 | P30-Y32 VanDerWaalsContact C-N 3.34Å; P30-G33 PolarHBondContact O-N 3.2Å; P30-G33 VanDerWaalsContact O-N 3.13Å |
| 31 | D | 48.1 | Very low | 50.8 | Low | 120 Ų | 120 | 80.6 Ų | 80.6 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -74.6 | -26.5 | 179.4 | -67 | -76.8 | 0 | 0 | 0 | 112.1 | D29 G33 T34 L35 | D29-D31 VanDerWaalsContact C-N 3.31Å; D29-D31 VanDerWaalsContact OD1-CB 3.26Å; D29-D31 WeakPolarHBondContact OD1-CB 3.47Å; D29-D31 PolarHBondContact OD1-N 2.86Å; D31-G33 PolarHBondContact O-N 3.45Å; D31-T34 WeakPolarHBondContact O-CB 3.23Å; D31-T34 PolarHBondContact O-N 2.72Å; D31-T34 PolarHBondContact O-OG1 3.39Å; D31-L35 PolarHBondContact O-N 3.41Å |
| 32 | Y | 47.5 | Very low | 51.3 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70 | -23.4 | 169.3 | -121.2 | -86.7 | 0 | 0 | 0 | 113 | F22 P30 T34 L35 I36 | F22-Y32 WeakPolarHBondContact CE2-OH 3.1Å; P30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-T34 PolarHBondContact O-N 3.36Å; Y32-L35 HydrophobicContact CE1-CD2 4.41Å; Y32-L35 PolarHBondContact O-N 3.46Å; Y32-I36 HydrophobicContact CD1-CD1 4.2Å; Y32-I36 HydrophobicContact CD1-CG1 4.37Å; Y32-I36 WeakPolarHBondContact O-CB 2.89Å; Y32-I36 WeakPolarHBondContact O-CG1 3.26Å; Y32-I36 PolarHBondContact O-N 2.77Å |
| 33 | G | 53.2 | Low | 51.5 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 21% | 0.206 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P30 D31 Q37 | P30-G33 PolarHBondContact O-N 3.2Å; P30-G33 VanDerWaalsContact O-N 3.13Å; D31-G33 PolarHBondContact O-N 3.45Å; G33-Q37 WeakPolarHBondContact O-CB 3.36Å; G33-Q37 PolarHBondContact O-N 2.77Å |
| 34 | T | 52.7 | Low | 51.9 | Low | 75 Ų | 75 | 80.7 Ų | 80.7 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 178 | -33.9 | 0 | 0 | 0 | 0 | 111.5 | D31 Y32 Q37 E38 | D31-T34 WeakPolarHBondContact O-CB 3.23Å; D31-T34 PolarHBondContact O-N 2.72Å; D31-T34 PolarHBondContact O-OG1 3.39Å; Y32-T34 PolarHBondContact O-N 3.36Å; T34-Q37 WeakPolarHBondContact O-CB 3.29Å; T34-Q37 PolarHBondContact O-N 3.35Å; T34-E38 PolarHBondContact O-N 2.73Å |
| 35 | L | 57.1 | Low | 52.5 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 178.3 | -145.8 | 90.1 | 0 | 0 | 0 | 112.1 | D31 Y32 Q37 E38 L39 | D31-L35 PolarHBondContact O-N 3.41Å; Y32-L35 HydrophobicContact CE1-CD2 4.41Å; Y32-L35 PolarHBondContact O-N 3.46Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.44Å; L35-E38 PolarHBondContact O-N 3.42Å; L35-L39 HydrophobicContact CD2-CD1 4.41Å; L35-L39 HydrophobicContact CG-CD1 4.12Å; L35-L39 WeakPolarHBondContact O-CD1 3.36Å; L35-L39 PolarHBondContact O-N 3.35Å |
| 36 | I | 61.5 | Low | 53.3 | Low | 31 Ų | 31 | 88.9 Ų | 88.9 | 16% | 0.159 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 173.6 | -72.3 | 164.5 | 0 | 0 | 0 | 110.2 | Y32 C40 R67 F70 | Y32-I36 HydrophobicContact CD1-CD1 4.2Å; Y32-I36 HydrophobicContact CD1-CG1 4.37Å; Y32-I36 WeakPolarHBondContact O-CB 2.89Å; Y32-I36 WeakPolarHBondContact O-CG1 3.26Å; Y32-I36 PolarHBondContact O-N 2.77Å; I36-C40 WeakPolarHBondContact O-CA 3.02Å; I36-C40 WeakPolarHBondContact O-CB 2.84Å; I36-C40 PolarHBondContact O-N 3.1Å; I36-R67 HydrophobicContact CG2-CG 4.5Å; I36-F70 HydrophobicContact CG1-CD1 4.23Å; I36-F70 HydrophobicContact CG1-CE1 4.46Å |
| 37 | Q | 58.7 | Low | 53.8 | Low | 96 Ų | 96 | 90.8 Ų | 90.8 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 174.4 | -172.6 | 172.6 | -74.9 | 0 | 0 | 109.8 | G33 T34 L35 L39 C40 L41 | G33-Q37 WeakPolarHBondContact O-CB 3.36Å; G33-Q37 PolarHBondContact O-N 2.77Å; T34-Q37 WeakPolarHBondContact O-CB 3.29Å; T34-Q37 PolarHBondContact O-N 3.35Å; L35-Q37 VanDerWaalsContact C-N 3.27Å; L35-Q37 PolarHBondContact O-N 3.44Å; Q37-L39 PolarHBondContact O-N 3.41Å; Q37-C40 PolarHBondContact O-N 3.46Å; Q37-L41 HydrophobicContact CG-CD1 4.08Å; Q37-L41 WeakPolarHBondContact O-CA 3.37Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 PolarHBondContact O-N 2.8Å |
| 38 | E | 60.6 | Low | 54.3 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58 | -48 | 177.5 | -80.1 | -67.6 | 151.3 | 0 | 0 | 113.5 | T34 L35 S42 | T34-E38 PolarHBondContact O-N 2.73Å; L35-E38 PolarHBondContact O-N 3.42Å; E38-S42 WeakPolarHBondContact O-CB 3.24Å; E38-S42 PolarHBondContact O-N 2.69Å; E38-S42 PolarHBondContact O-OG 3.33Å |
| 39 | L | 62.5 | Low | 54.9 | Low | 80 Ų | 80 | 85.6 Ų | 85.6 | 42% | 0.419 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 179.5 | -87.4 | 90.3 | 0 | 0 | 0 | 112.2 | L35 Q37 R43 F70 | L35-L39 HydrophobicContact CD2-CD1 4.41Å; L35-L39 HydrophobicContact CG-CD1 4.12Å; L35-L39 WeakPolarHBondContact O-CD1 3.36Å; L35-L39 PolarHBondContact O-N 3.35Å; Q37-L39 PolarHBondContact O-N 3.41Å; L39-R43 PolarHBondContact O-N 3.19Å; L39-R43 VanDerWaalsContact O-N 3.14Å; L39-F70 HydrophobicContact CB-CE2 4.46Å; L39-F70 HydrophobicContact CD2-CE2 3.74Å; L39-F70 HydrophobicContact CD2-CZ 3.75Å |
| 40 | C | 64.3 | Low | 55.2 | Low | 17 Ų | 17 | 87.7 Ų | 87.7 | 12% | 0.115 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.3 | -42 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | I36 Q37 F44 C66 | I36-C40 WeakPolarHBondContact O-CA 3.02Å; I36-C40 WeakPolarHBondContact O-CB 2.84Å; I36-C40 PolarHBondContact O-N 3.1Å; Q37-C40 PolarHBondContact O-N 3.46Å; C40-F44 WeakPolarHBondContact O-CA 3.24Å; C40-F44 WeakPolarHBondContact O-CB 3.49Å; C40-F44 PolarHBondContact O-N 3.2Å; C40-C66 HydrophobicContact CB-CB 4.23Å; C40-C66 WeakPolarHBondContact CB-SG 3.45Å; C40-C66 WeakPolarHBondContact SG-CB 3.37Å; C40-C66 CovalentContact SG-SG 2Å; C40-C66 PolarHBondContact SG-SG 2.91Å |
| 41 | L | 59.3 | Low | 55.3 | Low | 60 Ų | 60 | 86 Ų | 86 | 31% | 0.314 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 179.9 | -161.6 | 166.4 | 0 | 0 | 0 | 110.5 | Q37 F44 K45 W59 | Q37-L41 HydrophobicContact CG-CD1 4.08Å; Q37-L41 WeakPolarHBondContact O-CA 3.37Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 PolarHBondContact O-N 2.8Å; L41-F44 PolarHBondContact O-N 2Å; L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 PolarHBondContact O-N 2.95Å; L41-W59 HydrophobicContact CD1-CZ2 4.15Å; L41-W59 HydrophobicContact CG-CH2 3.93Å; L41-W59 HydrophobicContact CG-CZ2 4Å |
| 42 | S | 59.9 | Low | 55.2 | Low | 56 Ų | 56 | 82.8 Ų | 82.8 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -51.9 | 173.3 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | E38 F44 K45 E46 | E38-S42 WeakPolarHBondContact O-CB 3.24Å; E38-S42 PolarHBondContact O-N 2.69Å; E38-S42 PolarHBondContact O-OG 3.33Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 2.99Å; S42-K45 PolarHBondContact O-N 3.4Å; S42-E46 PolarHBondContact O-N 3.19Å; S42-E46 VanDerWaalsContact O-N 3.16Å |
| 43 | R | 56.3 | Low | 55.3 | Low | 181 Ų | 181 | 88.6 Ų | 88.6 | 68% | 0.683 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.4 | -34.2 | 174.2 | -101.5 | -179.1 | 175.6 | 165 | 0 | 112.5 | L39 N47 | L39-R43 PolarHBondContact O-N 3.19Å; L39-R43 VanDerWaalsContact O-N 3.14Å; R43-N47 WeakPolarHBondContact O-CB 3.25Å; R43-N47 PolarHBondContact O-N 3.07Å; R43-N47 VanDerWaalsContact O-N 3.15Å |
| 44 | F | 57.8 | Low | 55.2 | Low | 29 Ų | 29 | 93.6 Ų | 93.6 | 13% | 0.127 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -71.2 | -39 | 176.9 | -164 | -105.8 | 0 | 0 | 0 | 110.9 | C40 L41 S42 E46 N47 M48 W59 T62 | C40-F44 WeakPolarHBondContact O-CA 3.24Å; C40-F44 WeakPolarHBondContact O-CB 3.49Å; C40-F44 PolarHBondContact O-N 3.2Å; L41-F44 PolarHBondContact O-N 2Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 2.99Å; F44-E46 VanDerWaalsContact C-N 3.33Å; F44-E46 PolarHBondContact O-N 2.9Å; F44-N47 CarbonylContact O-C 3.57Å; F44-N47 PolarHBondContact O-N 3.36Å; F44-N47 VanDerWaalsContact O-N 3.1Å; F44-M48 HydrophobicContact CD1-CE 3.67Å; F44-M48 HydrophobicContact CD1-CG 3.37Å; F44-M48 HydrophobicContact CD1-SD 3.71Å; F44-M48 HydrophobicContact CE1-CE 3.28Å; F44-M48 HydrophobicContact CE1-CG 3.47Å; F44-M48 VanDerWaalsContact CE1-CG 3.47Å; F44-M48 HydrophobicContact CE1-SD 3.13Å; F44-M48 WeakPolarHBondContact CE1-SD 3.24Å; F44-M48 HydrophobicContact CG-CG 4.07Å; F44-M48 HydrophobicContact CZ-CE 4.35Å; F44-M48 HydrophobicContact CZ-CG 4.17Å; F44-M48 HydrophobicContact CZ-SD 3.74Å; F44-M48 VanDerWaalsContact O-CB 3.26Å; F44-M48 WeakPolarHBondContact O-CB 3.04Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 2.99Å; F44-W59 HydrophobicContact CD1-CE3 4.12Å; F44-W59 AromaticContact CD1-CH2 3.7Å; F44-W59 HydrophobicContact CD1-CH2 3.7Å; F44-W59 AromaticContact CD1-CZ3 3.18Å; F44-W59 HydrophobicContact CD1-CZ3 3.18Å; F44-W59 AromaticContact CE1-CE3 3.66Å; F44-W59 HydrophobicContact CE1-CE3 3.66Å; F44-W59 HydrophobicContact CE1-CH2 4.12Å; F44-W59 AromaticContact CE1-CZ3 3.16Å; F44-W59 HydrophobicContact CE1-CZ3 3.16Å; F44-W59 HydrophobicContact CG-CZ3 4.28Å; F44-W59 HydrophobicContact CZ-CE3 4.49Å; F44-W59 HydrophobicContact CZ-CZ3 4.29Å; F44-T62 HydrophobicContact CD2-CG2 4.29Å; F44-T62 HydrophobicContact CE2-CG2 3.54Å; F44-T62 HydrophobicContact CZ-CG2 4.01Å |
| 45 | K | 52.5 | Low | 55.2 | Low | 147 Ų | 147 | 93.9 Ų | 93.9 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 176.5 | -164.4 | 177.4 | 73.6 | -176.8 | 0 | 111.9 | L41 S42 M48 E49 | L41-K45 WeakPolarHBondContact O-CB 3.43Å; L41-K45 PolarHBondContact O-N 2.95Å; S42-K45 PolarHBondContact O-N 3.4Å; K45-M48 PolarHBondContact O-N 3.24Å; K45-E49 PolarHBondContact O-N 3.43Å |
| 46 | E | 55.7 | Low | 54.9 | Low | 146 Ų | 146 | 96.4 Ų | 96.4 | 68% | 0.682 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 170.6 | -74.8 | -175.9 | 114.4 | 0 | 0 | 111.8 | S42 F44 M48 E49 | S42-E46 PolarHBondContact O-N 3.19Å; S42-E46 VanDerWaalsContact O-N 3.16Å; F44-E46 VanDerWaalsContact C-N 3.33Å; F44-E46 PolarHBondContact O-N 2.9Å; E46-M48 VanDerWaalsContact C-N 3.28Å; E46-M48 PolarHBondContact O-N 2.83Å; E46-E49 PolarHBondContact O-N 2.79Å |
| 47 | N | 52.3 | Low | 54.2 | Low | 77 Ų | 77 | 100.9 Ų | 100.9 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.5 | -22.9 | 177.9 | -160.6 | 41.2 | 0 | 0 | 0 | 113.1 | R43 F44 T50 I51 | R43-N47 WeakPolarHBondContact O-CB 3.25Å; R43-N47 PolarHBondContact O-N 3.07Å; R43-N47 VanDerWaalsContact O-N 3.15Å; F44-N47 CarbonylContact O-C 3.57Å; F44-N47 PolarHBondContact O-N 3.36Å; F44-N47 VanDerWaalsContact O-N 3.1Å; N47-T50 PolarHBondContact O-N 3.14Å; N47-T50 PolarHBondContact O-OG1 3.15Å; N47-I51 VanDerWaalsContact ND2-CD1 3.29Å; N47-I51 WeakPolarHBondContact ND2-CD1 3.45Å; N47-I51 WeakPolarHBondContact O-CB 3.46Å; N47-I51 WeakPolarHBondContact O-CG1 3.22Å; N47-I51 PolarHBondContact O-N 3.16Å |
| 48 | M | 48.4 | Very low | 54 | Low | 35 Ų | 35 | 100.5 Ų | 100.5 | 17% | 0.172 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -79.1 | -20 | 179.2 | -72.3 | -96.3 | -100.2 | 0 | 0 | 113.2 | F44 K45 E46 T50 W56 W59 | F44-M48 HydrophobicContact CD1-CE 3.67Å; F44-M48 HydrophobicContact CD1-CG 3.37Å; F44-M48 HydrophobicContact CD1-SD 3.71Å; F44-M48 HydrophobicContact CE1-CE 3.28Å; F44-M48 HydrophobicContact CE1-CG 3.47Å; F44-M48 VanDerWaalsContact CE1-CG 3.47Å; F44-M48 HydrophobicContact CE1-SD 3.13Å; F44-M48 WeakPolarHBondContact CE1-SD 3.24Å; F44-M48 HydrophobicContact CG-CG 4.07Å; F44-M48 HydrophobicContact CZ-CE 4.35Å; F44-M48 HydrophobicContact CZ-CG 4.17Å; F44-M48 HydrophobicContact CZ-SD 3.74Å; F44-M48 VanDerWaalsContact O-CB 3.26Å; F44-M48 WeakPolarHBondContact O-CB 3.04Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 2.99Å; K45-M48 PolarHBondContact O-N 3.24Å; E46-M48 VanDerWaalsContact C-N 3.28Å; E46-M48 PolarHBondContact O-N 2.83Å; M48-T50 PolarHBondContact O-N 3.45Å; M48-W56 HydrophobicContact CE-CD2 3.74Å; M48-W56 HydrophobicContact CE-CG 4Å; M48-W56 HydrophobicContact CE-CH2 4.34Å; M48-W56 HydrophobicContact CE-CZ2 3.55Å; M48-W56 HydrophobicContact SD-CD2 4.47Å; M48-W56 HydrophobicContact SD-CG 4.31Å; M48-W56 HydrophobicContact SD-CZ2 4.3Å; M48-W56 PolarHBondContact SD-NE1 2.78Å; M48-W59 HydrophobicContact CE-CE3 4.48Å; M48-W59 HydrophobicContact CE-CZ3 3.91Å |
| 49 | E | 51.6 | Low | 53.5 | Low | 187 Ų | 187 | 99.8 Ų | 99.8 | 87% | 0.874 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -27 | 168 | -166 | 173.2 | 102.9 | 0 | 0 | 110.7 | K45 E46 | K45-E49 PolarHBondContact O-N 3.43Å; E46-E49 PolarHBondContact O-N 2.79Å |
| 50 | T | 50.7 | Low | 53.2 | Low | 114 Ų | 114 | 98.3 Ų | 98.3 | 70% | 0.699 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -101.7 | -28.3 | -175.4 | -8.7 | 0 | 0 | 0 | 0 | 113.6 | N47 M48 | N47-T50 PolarHBondContact O-N 3.14Å; N47-T50 PolarHBondContact O-OG1 3.15Å; M48-T50 PolarHBondContact O-N 3.45Å |
| 51 | I | 50.9 | Low | 52.9 | Low | 67 Ų | 67 | 104 Ų | 104 | 34% | 0.344 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -106.5 | 98.7 | -176.6 | -57.4 | 178.2 | 0 | 0 | 0 | 108.8 | N47 L55 | N47-I51 VanDerWaalsContact ND2-CD1 3.29Å; N47-I51 WeakPolarHBondContact ND2-CD1 3.45Å; N47-I51 WeakPolarHBondContact O-CB 3.46Å; N47-I51 WeakPolarHBondContact O-CG1 3.22Å; N47-I51 PolarHBondContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CB 4.29Å |
| 52 | G | 46.2 | Very low | 52.5 | Low | 51 Ų | 51 | 103 Ų | 103 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | trans | -51.9 | 160.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T54 | G52-T54 PolarHBondContact O-N 3.16Š| ||
| 53 | K | 49.1 | Very low | 52.4 | Low | 185 Ų | 185 | 102 Ų | 102 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.5 | -7.4 | -169.3 | -66.3 | 175.7 | 177.8 | 168.1 | 0 | 119 | ||
| 54 | T | 51.1 | Low | 52.6 | Low | 124 Ų | 124 | 99.1 Ų | 99.1 | 76% | 0.761 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.1 | -174.6 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | G52 | G52-T54 PolarHBondContact O-N 3.16Š|
| 55 | L | 52.1 | Low | 52.7 | Low | 82 Ų | 82 | 102 Ų | 102 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -86.2 | -5.4 | 176.8 | -120.4 | 88.2 | 0 | 0 | 0 | 114.1 | I51 C57 | I51-L55 HydrophobicContact CG2-CB 4.29Å; L55-C57 PolarHBondContact O-N 3.49Å |
| 56 | W | 51.7 | Low | 52.9 | Low | 147 Ų | 147 | 96.6 Ų | 96.6 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -67.3 | -26.4 | -179.4 | -74.7 | 39.6 | 0 | 0 | 0 | 112.6 | M48 D58 W59 | M48-W56 HydrophobicContact CE-CD2 3.74Å; M48-W56 HydrophobicContact CE-CG 4Å; M48-W56 HydrophobicContact CE-CH2 4.34Å; M48-W56 HydrophobicContact CE-CZ2 3.55Å; M48-W56 HydrophobicContact SD-CD2 4.47Å; M48-W56 HydrophobicContact SD-CG 4.31Å; M48-W56 HydrophobicContact SD-CZ2 4.3Å; M48-W56 PolarHBondContact SD-NE1 2.78Å; W56-D58 PolarHBondContact O-N 3.29Å; W56-D58 VanDerWaalsContact O-N 3.08Å; W56-W59 PolarHBondContact O-N 2.75Å |
| 57 | C | 47.5 | Very low | 53.1 | Low | 126 Ų | 126 | 95.2 Ų | 95.2 | 85% | 0.851 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -65.6 | -10.9 | -175.6 | -75.3 | 0 | 0 | 0 | 0 | 114.6 | L55 | L55-C57 PolarHBondContact O-N 3.49Š|
| 58 | D | 54.4 | Low | 53.3 | Low | 87 Ų | 87 | 98.7 Ų | 98.7 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -128.8 | 47.8 | 179.5 | -137.3 | -47 | 0 | 0 | 0 | 112.8 | W56 G60 K61 T62 | W56-D58 PolarHBondContact O-N 3.29Å; W56-D58 VanDerWaalsContact O-N 3.08Å; D58-G60 PolarHBondContact O-N 3.49Å; D58-K61 PolarHBondContact O-N 2.89Å; D58-K61 WeakPolarHBondContact OD1-CB 3.17Å; D58-K61 WeakPolarHBondContact OD1-CG 3.36Å; D58-K61 PolarHBondContact OD1-N 3.11Å; D58-T62 PolarHBondContact O-N 2.8Å; D58-T62 PolarHBondContact O-OG1 3.38Å |
| 59 | W | 49.8 | Very low | 53.6 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 37% | 0.367 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.1 | -39.6 | 176.7 | -175.1 | -109.1 | 0 | 0 | 0 | 112.7 | L41 F44 M48 W56 T62 I63 | L41-W59 HydrophobicContact CD1-CZ2 4.15Å; L41-W59 HydrophobicContact CG-CH2 3.93Å; L41-W59 HydrophobicContact CG-CZ2 4Å; F44-W59 HydrophobicContact CD1-CE3 4.12Å; F44-W59 AromaticContact CD1-CH2 3.7Å; F44-W59 HydrophobicContact CD1-CH2 3.7Å; F44-W59 AromaticContact CD1-CZ3 3.18Å; F44-W59 HydrophobicContact CD1-CZ3 3.18Å; F44-W59 AromaticContact CE1-CE3 3.66Å; F44-W59 HydrophobicContact CE1-CE3 3.66Å; F44-W59 HydrophobicContact CE1-CH2 4.12Å; F44-W59 AromaticContact CE1-CZ3 3.16Å; F44-W59 HydrophobicContact CE1-CZ3 3.16Å; F44-W59 HydrophobicContact CG-CZ3 4.28Å; F44-W59 HydrophobicContact CZ-CE3 4.49Å; F44-W59 HydrophobicContact CZ-CZ3 4.29Å; M48-W59 HydrophobicContact CE-CE3 4.48Å; M48-W59 HydrophobicContact CE-CZ3 3.91Å; W56-W59 PolarHBondContact O-N 2.75Å; W59-T62 PolarHBondContact O-N 3.33Å; W59-I63 VanDerWaalsContact CD1-CD1 3.45Å; W59-I63 HydrophobicContact CD2-CD1 4.22Å; W59-I63 HydrophobicContact CG-CD1 4.11Å; W59-I63 HydrophobicContact CZ2-CD1 4.15Å; W59-I63 HydrophobicContact CZ2-CG1 4.48Å; W59-I63 WeakPolarHBondContact O-CG1 3.17Å; W59-I63 PolarHBondContact O-N 2.83Å; W59-I63 VanDerWaalsContact O-N 3.08Å |
| 60 | G | 56.8 | Low | 53.8 | Low | 49 Ų | 49 | 95 Ų | 95 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D58 Q64 | D58-G60 PolarHBondContact O-N 3.49Å; G60-Q64 PolarHBondContact O-N 3.48Å |
| 61 | K | 56.9 | Low | 53.9 | Low | 136 Ų | 136 | 96.3 Ų | 96.3 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68 | -38.7 | 176.1 | -77.2 | -82.2 | -174.1 | 66.7 | 0 | 111.8 | D58 Q64 V65 | D58-K61 PolarHBondContact O-N 2.89Å; D58-K61 WeakPolarHBondContact OD1-CB 3.17Å; D58-K61 WeakPolarHBondContact OD1-CG 3.36Å; D58-K61 PolarHBondContact OD1-N 3.11Å; K61-Q64 PolarHBondContact O-N 3.26Å; K61-V65 WeakPolarHBondContact O-CG2 3.16Å; K61-V65 PolarHBondContact O-N 3.48Å; K61-V65 VanDerWaalsContact O-N 3.12Å |
| 62 | T | 51.8 | Low | 54 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 24% | 0.239 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.9 | -37.9 | -175.2 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | F44 D58 W59 Q64 V65 C66 | F44-T62 HydrophobicContact CD2-CG2 4.29Å; F44-T62 HydrophobicContact CE2-CG2 3.54Å; F44-T62 HydrophobicContact CZ-CG2 4.01Å; D58-T62 PolarHBondContact O-N 2.8Å; D58-T62 PolarHBondContact O-OG1 3.38Å; W59-T62 PolarHBondContact O-N 3.33Å; T62-Q64 VanDerWaalsContact C-N 3.32Å; T62-Q64 PolarHBondContact O-N 2.93Å; T62-V65 PolarHBondContact O-N 2.97Å; T62-C66 WeakPolarHBondContact O-CB 3.29Å; T62-C66 PolarHBondContact O-N 3.3Å |
| 63 | I | 56.8 | Low | 54.3 | Low | 37 Ų | 37 | 95.6 Ų | 95.6 | 19% | 0.19 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 171.9 | -72.3 | 166.1 | 0 | 0 | 0 | 111.5 | W59 V65 C66 R67 | W59-I63 VanDerWaalsContact CD1-CD1 3.45Å; W59-I63 HydrophobicContact CD2-CD1 4.22Å; W59-I63 HydrophobicContact CG-CD1 4.11Å; W59-I63 HydrophobicContact CZ2-CD1 4.15Å; W59-I63 HydrophobicContact CZ2-CG1 4.48Å; W59-I63 WeakPolarHBondContact O-CG1 3.17Å; W59-I63 PolarHBondContact O-N 2.83Å; W59-I63 VanDerWaalsContact O-N 3.08Å; I63-V65 VanDerWaalsContact C-N 3.35Å; I63-C66 PolarHBondContact O-N 2.87Å; I63-R67 VanDerWaalsContact O-CB 3.28Å; I63-R67 WeakPolarHBondContact O-CB 3.45Å; I63-R67 PolarHBondContact O-N 3.4Å |
| 64 | Q | 60.3 | Low | 54.2 | Low | 120 Ų | 120 | 89 Ų | 89 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.1 | -37.4 | 179.5 | -70.5 | -155.4 | -21.8 | 0 | 0 | 112.3 | G60 K61 T62 K68 | G60-Q64 PolarHBondContact O-N 3.48Å; K61-Q64 PolarHBondContact O-N 3.26Å; T62-Q64 VanDerWaalsContact C-N 3.32Å; T62-Q64 PolarHBondContact O-N 2.93Å; Q64-K68 VanDerWaalsContact O-CG 3.31Å; Q64-K68 WeakPolarHBondContact O-CG 3.48Å; Q64-K68 PolarHBondContact O-N 3.48Å; Q64-K68 VanDerWaalsContact O-N 3.15Å |
| 65 | V | 60.1 | Low | 54.2 | Low | 89 Ų | 89 | 85.6 Ų | 85.6 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | K61 T62 I63 R67 K68 Q69 | K61-V65 WeakPolarHBondContact O-CG2 3.16Å; K61-V65 PolarHBondContact O-N 3.48Å; K61-V65 VanDerWaalsContact O-N 3.12Å; T62-V65 PolarHBondContact O-N 2.97Å; I63-V65 VanDerWaalsContact C-N 3.35Å; V65-R67 PolarHBondContact O-N 3.41Å; V65-K68 WeakPolarHBondContact O-CB 3.48Å; V65-K68 PolarHBondContact O-N 2.82Å; V65-K68 VanDerWaalsContact O-N 3.16Å; V65-Q69 WeakPolarHBondContact O-CB 3.29Å; V65-Q69 PolarHBondContact O-N 3.49Å |
| 66 | C | 56.4 | Low | 53.7 | Low | 33 Ų | 33 | 87.5 Ų | 87.5 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | C40 T62 I63 K68 Q69 F70 | C40-C66 HydrophobicContact CB-CB 4.23Å; C40-C66 WeakPolarHBondContact CB-SG 3.45Å; C40-C66 WeakPolarHBondContact SG-CB 3.37Å; C40-C66 CovalentContact SG-SG 2Å; C40-C66 PolarHBondContact SG-SG 2.91Å; T62-C66 WeakPolarHBondContact O-CB 3.29Å; T62-C66 PolarHBondContact O-N 3.3Å; I63-C66 PolarHBondContact O-N 2.87Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 3.29Å; C66-Q69 PolarHBondContact O-N 3.4Å; C66-F70 VanDerWaalsContact O-CB 3.29Å; C66-F70 WeakPolarHBondContact O-CB 3.19Å; C66-F70 PolarHBondContact O-N 3.39Å |
| 67 | R | 59.6 | Low | 53.2 | Low | 117 Ų | 117 | 88.3 Ų | 88.3 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 172.8 | -175.1 | -172.4 | -62 | -135.6 | 0.5 | 111 | I36 I63 V65 R71 | I36-R67 HydrophobicContact CG2-CG 4.5Å; I63-R67 VanDerWaalsContact O-CB 3.28Å; I63-R67 WeakPolarHBondContact O-CB 3.45Å; I63-R67 PolarHBondContact O-N 3.4Å; V65-R67 PolarHBondContact O-N 3.41Å; R67-R71 VanDerWaalsContact O-CB 3.24Å; R67-R71 WeakPolarHBondContact O-CB 3.21Å; R67-R71 PolarHBondContact O-N 3.47Å |
| 68 | K | 57.2 | Low | 52.9 | Low | 151 Ų | 151 | 85.6 Ų | 85.6 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 176 | -71.1 | 176.3 | -176.2 | -173.1 | 0 | 111.6 | Q64 V65 C66 R71 A72 | Q64-K68 VanDerWaalsContact O-CG 3.31Å; Q64-K68 WeakPolarHBondContact O-CG 3.48Å; Q64-K68 PolarHBondContact O-N 3.48Å; Q64-K68 VanDerWaalsContact O-N 3.15Å; V65-K68 WeakPolarHBondContact O-CB 3.48Å; V65-K68 PolarHBondContact O-N 2.82Å; V65-K68 VanDerWaalsContact O-N 3.16Å; C66-K68 VanDerWaalsContact C-N 3.31Å; C66-K68 PolarHBondContact O-N 3.29Å; K68-R71 PolarHBondContact O-N 2.87Å; K68-A72 WeakPolarHBondContact O-CB 3.43Å; K68-A72 PolarHBondContact O-N 2.81Å |
| 69 | Q | 54.9 | Low | 52.6 | Low | 95 Ų | 95 | 84.9 Ų | 84.9 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 178.8 | -161.9 | 77.9 | 31.8 | 0 | 0 | 111.9 | V65 C66 A72 A73 | V65-Q69 WeakPolarHBondContact O-CB 3.29Å; V65-Q69 PolarHBondContact O-N 3.49Å; C66-Q69 PolarHBondContact O-N 3.4Å; Q69-A72 PolarHBondContact O-N 3.41Å; Q69-A73 WeakPolarHBondContact O-CB 3.46Å; Q69-A73 PolarHBondContact O-N 3.36Å |
| 70 | F | 54.9 | Low | 52.1 | Low | 48 Ų | 48 | 85.1 Ų | 85.1 | 21% | 0.211 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.6 | -166.4 | -95.8 | 0 | 0 | 0 | 110.7 | I36 L39 C66 A72 A73 M74 | I36-F70 HydrophobicContact CG1-CD1 4.23Å; I36-F70 HydrophobicContact CG1-CE1 4.46Å; L39-F70 HydrophobicContact CB-CE2 4.46Å; L39-F70 HydrophobicContact CD2-CE2 3.74Å; L39-F70 HydrophobicContact CD2-CZ 3.75Å; C66-F70 VanDerWaalsContact O-CB 3.29Å; C66-F70 WeakPolarHBondContact O-CB 3.19Å; C66-F70 PolarHBondContact O-N 3.39Å; F70-A72 VanDerWaalsContact C-N 3.31Å; F70-A72 PolarHBondContact O-N 3.49Å; F70-A73 PolarHBondContact O-N 3.28Å; F70-M74 HydrophobicContact CD1-SD 4.17Å; F70-M74 HydrophobicContact CE1-SD 3.48Å; F70-M74 WeakPolarHBondContact CE1-SD 3.23Å; F70-M74 HydrophobicContact CZ-SD 4.13Å; F70-M74 WeakPolarHBondContact O-CB 3.36Å; F70-M74 PolarHBondContact O-N 3.33Å |
| 71 | R | 54.3 | Low | 51.1 | Low | 142 Ų | 142 | 86.6 Ų | 86.6 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 173.5 | -173.4 | -179.6 | -87.9 | -178.3 | -7.5 | 112 | A26 R67 K68 A75 | A26-R71 PolarHBondContact O-NH2 2.85Å; R67-R71 VanDerWaalsContact O-CB 3.24Å; R67-R71 WeakPolarHBondContact O-CB 3.21Å; R67-R71 PolarHBondContact O-N 3.47Å; K68-R71 PolarHBondContact O-N 2.87Å; R71-A75 WeakPolarHBondContact O-CB 3.08Å; R71-A75 PolarHBondContact O-N 2.94Å; R71-A75 VanDerWaalsContact O-N 3.11Å |
| 72 | A | 52.6 | Low | 50.3 | Low | 49 Ų | 49 | 84.3 Ų | 84.3 | 41% | 0.405 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K68 Q69 F70 M74 A75 F76 | K68-A72 WeakPolarHBondContact O-CB 3.43Å; K68-A72 PolarHBondContact O-N 2.81Å; Q69-A72 PolarHBondContact O-N 3.41Å; F70-A72 VanDerWaalsContact C-N 3.31Å; F70-A72 PolarHBondContact O-N 3.49Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.39Å; A72-A75 PolarHBondContact O-N 3.35Å; A72-F76 PolarHBondContact O-N 3.46Å |
| 73 | A | 51.4 | Low | 49.4 | Very low | 54 Ų | 54 | 87 Ų | 87 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q69 F70 F76 Q77 | Q69-A73 WeakPolarHBondContact O-CB 3.46Å; Q69-A73 PolarHBondContact O-N 3.36Å; F70-A73 PolarHBondContact O-N 3.28Å; A73-F76 PolarHBondContact O-N 3.2Å; A73-Q77 PolarHBondContact O-N 3.45Å |
| 74 | M | 47 | Very low | 48.5 | Very low | 47 Ų | 47 | 90.6 Ų | 90.6 | 23% | 0.232 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -72.1 | -38.9 | 175.4 | -125.6 | 164.7 | 56.5 | 0 | 0 | 111.7 | F22 F70 A72 F76 Q77 L78 | F22-M74 HydrophobicContact CD1-CE 4.17Å; F22-M74 HydrophobicContact CE1-CE 3.15Å; F22-M74 HydrophobicContact CE1-CG 4.21Å; F22-M74 HydrophobicContact CE1-SD 3.88Å; F22-M74 HydrophobicContact CE2-CE 4.26Å; F22-M74 HydrophobicContact CZ-CE 3.21Å; F22-M74 HydrophobicContact CZ-CG 4.21Å; F22-M74 HydrophobicContact CZ-SD 3.48Å; F22-M74 WeakPolarHBondContact CZ-SD 3.44Å; F70-M74 HydrophobicContact CD1-SD 4.17Å; F70-M74 HydrophobicContact CE1-SD 3.48Å; F70-M74 WeakPolarHBondContact CE1-SD 3.23Å; F70-M74 HydrophobicContact CZ-SD 4.13Å; F70-M74 WeakPolarHBondContact O-CB 3.36Å; F70-M74 PolarHBondContact O-N 3.33Å; A72-M74 VanDerWaalsContact C-N 3.33Å; A72-M74 PolarHBondContact O-N 3.39Å; M74-F76 PolarHBondContact O-N 3.33Å; M74-Q77 PolarHBondContact O-N 3.06Å; M74-L78 WeakPolarHBondContact O-CD1 3.36Å; M74-L78 PolarHBondContact O-N 3.07Å |
| 75 | A | 51.1 | Low | 47.3 | Very low | 53 Ų | 53 | 90.6 Ų | 90.6 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -34.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R71 A72 L78 | R71-A75 WeakPolarHBondContact O-CB 3.08Å; R71-A75 PolarHBondContact O-N 2.94Å; R71-A75 VanDerWaalsContact O-N 3.11Å; A72-A75 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.13Å |
| 76 | F | 42.1 | Very low | 45.9 | Very low | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 176 | -169.1 | -98.9 | 0 | 0 | 0 | 113.2 | A72 A73 M74 L78 | A72-F76 PolarHBondContact O-N 3.46Å; A73-F76 PolarHBondContact O-N 3.2Å; M74-F76 PolarHBondContact O-N 3.33Å; F76-L78 PolarHBondContact O-N 2.84Å |
| 77 | Q | 40.9 | Very low | 45 | Very low | 165 Ų | 165 | 93.7 Ų | 93.7 | 77% | 0.771 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.2 | -17.3 | 175.5 | -85.6 | -70.2 | -55 | 0 | 0 | 113.8 | A73 M74 | A73-Q77 PolarHBondContact O-N 3.45Å; M74-Q77 PolarHBondContact O-N 3.06Å |
| 78 | L | 42.6 | Very low | 43.5 | Very low | 68 Ų | 68 | 93.1 Ų | 93.1 | 36% | 0.356 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | 8.8 | -177.9 | -78.5 | 146.9 | 0 | 0 | 0 | 113.8 | H19 F22 M23 M74 A75 F76 S80 | H19-L78 WeakPolarHBondContact CD2-CD2 3.31Å; H19-L78 WeakPolarHBondContact NE2-CD2 3.14Å; F22-L78 HydrophobicContact CE1-CD1 4.33Å; M23-L78 HydrophobicContact CE-CD1 4.05Å; M74-L78 WeakPolarHBondContact O-CD1 3.36Å; M74-L78 PolarHBondContact O-N 3.07Å; A75-L78 PolarHBondContact O-N 3.13Å; F76-L78 PolarHBondContact O-N 2.84Å; L78-S80 PolarHBondContact O-N 3.19Å |
| 79 | G | 46.3 | Very low | 42.3 | Very low | 73 Ų | 73 | 89.1 Ų | 89.1 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 32.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 80 | S | 40.9 | Very low | 41.6 | Very low | 102 Ų | 102 | 93.4 Ų | 93.4 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -121.7 | 107.1 | 169.4 | -162.7 | 0 | 0 | 0 | 0 | 110.1 | L78 | L78-S80 PolarHBondContact O-N 3.19Š|
| 81 | A | 34.1 | Very low | 40.8 | Very low | 79 Ų | 79 | 95.5 Ų | 95.5 | 65% | 0.653 | 60% | 0.596 | S | S | * | * | trans | 59.5 | 115.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C83 | A81-C83 PolarHBondContact O-N 3.45Å; A81-C83 VanDerWaalsContact O-N 3.07Å | ||
| 82 | S | 41.5 | Very low | 39.7 | Very low | 89 Ų | 89 | 92.4 Ų | 92.4 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | trans | -67.2 | 104.5 | 166.1 | -161.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 83 | C | 33.1 | Very low | 39.1 | Very low | 95 Ų | 95 | 95.1 Ų | 95.1 | 64% | 0.642 | 62% | 0.618 | S | S | * | * | trans | -97.7 | 95.5 | 157.4 | -66.4 | 0 | 0 | 0 | 0 | 106.2 | A81 L85 | A81-C83 PolarHBondContact O-N 3.45Å; A81-C83 VanDerWaalsContact O-N 3.07Å; C83-L85 PolarHBondContact O-N 3.23Å; C83-L85 VanDerWaalsContact O-N 3.13Å | ||
| 84 | T | 36.6 | Very low | 38.1 | Very low | 112 Ų | 112 | 95.8 Ų | 95.8 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | trans | -55.6 | 121.2 | 162.7 | 37.5 | 0 | 0 | 0 | 0 | 107.3 | N86 | T84-N86 VanDerWaalsContact C-N 3.27Å; T84-N86 PolarHBondContact O-N 3.41Å | ||
| 85 | L | 35.6 | Very low | 37.6 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | trans | -64.1 | 92.1 | 174.6 | -153.8 | 91.8 | 0 | 0 | 0 | 106.7 | C83 A87 | C83-L85 PolarHBondContact O-N 3.23Å; C83-L85 VanDerWaalsContact O-N 3.13Å; L85-A87 VanDerWaalsContact C-N 3.27Å; L85-A87 PolarHBondContact O-N 3.28Å | ||
| 86 | N | 31.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 102 Ų | 102 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -64.9 | 105.2 | 154.8 | -83.2 | -4.6 | 0 | 0 | 0 | 105.2 | T84 C88 | T84-N86 VanDerWaalsContact C-N 3.27Å; T84-N86 PolarHBondContact O-N 3.41Å; N86-C88 PolarHBondContact O-N 3.1Å | ||
| 87 | A | 36.2 | Very low | 36.3 | Very low | 67 Ų | 67 | 101.2 Ų | 101.2 | 55% | 0.554 | 66% | 0.664 | S | S | * | * | trans | -48.6 | 138.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | L85 P89 C94 | L85-A87 VanDerWaalsContact C-N 3.27Å; L85-A87 PolarHBondContact O-N 3.28Å; A87-P89 WeakPolarHBondContact O-CD 3.47Å; A87-C94 PolarHBondContact O-SG 3.46Å | ||
| 88 | C | 28.3 | Very low | 36 | Very low | 106 Ų | 106 | 100.3 Ų | 100.3 | 72% | 0.716 | 66% | 0.664 | S | S | * | * | trans | -101.4 | 105.6 | 166.1 | -158.9 | 0 | 0 | 0 | 0 | 107.1 | N86 | N86-C88 PolarHBondContact O-N 3.1Š| ||
| 89 | P | 31.8 | Very low | 35.5 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 43% | 0.429 | 69% | 0.686 | S | S | . | * | trans | -76 | 145 | 176.4 | 8.6 | 5.2 | 0 | 0 | 0 | 110.8 | A87 C94 | A87-P89 WeakPolarHBondContact O-CD 3.47Å; P89-C94 WeakPolarHBondContact CD-SG 3.12Å | ||
| 90 | K | 40.9 | Very low | 35.1 | Very low | 185 Ų | 185 | 104.6 Ų | 104.6 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 139.2 | 174.5 | -65.8 | 172.5 | 174.4 | 167.2 | 0 | 111.1 | S92 | K90-S92 PolarHBondContact O-N 2.98Š|
| 91 | G | 38.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 102.6 Ų | 102.6 | 95% | 0.948 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.6 | 34.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 92 | S | 29.5 | Very low | 34.6 | Very low | 78 Ų | 78 | 104.8 Ų | 104.8 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -163.6 | 116.6 | 178.8 | -67.8 | 0 | 0 | 0 | 0 | 105.3 | K90 | K90-S92 PolarHBondContact O-N 2.98Š|
| 93 | A | 40.3 | Very low | 34.3 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | -55.9 | 136.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 94 | C | 31.9 | Very low | 34.6 | Very low | 68 Ų | 68 | 107.1 Ų | 107.1 | 46% | 0.459 | 71% | 0.709 | S | S | . | * | trans | -128 | 125.9 | 160.5 | -98.1 | 0 | 0 | 0 | 0 | 111 | A87 P89 | A87-C94 PolarHBondContact O-SG 3.46Å; P89-C94 WeakPolarHBondContact CD-SG 3.12Å | ||
| 95 | A | 36.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 112.1 Ų | 112.1 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | -67.1 | 162.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 96 | L | 30 | Very low | 34.4 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -37.1 | 146.1 | 177 | -80.8 | 70.5 | 0 | 0 | 0 | 114.6 | L98 | L96-L98 PolarHBondContact O-N 3.44Š| ||
| 97 | P | 34.5 | Very low | 34.5 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -76.4 | 113 | 153.9 | 30.7 | -26.2 | 0 | 0 | 0 | 109.2 | ||||
| 98 | L | 35.9 | Very low | 34.4 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -71.3 | 120.3 | 156.6 | -92.7 | 80.4 | 0 | 0 | 0 | 107.9 | L96 S100 | L96-L98 PolarHBondContact O-N 3.44Å; L98-S100 PolarHBondContact O-N 3.34Å | ||
| 99 | C | 32.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 114.2 Ų | 114.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -74.5 | 95.7 | 164 | -70.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 100 | S | 37.3 | Very low | 35 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -83.9 | 109.6 | 165.6 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | L98 | L98-S100 PolarHBondContact O-N 3.34Š| ||
| 101 | G | 33 | Very low | 34.6 | Very low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A103 | G101-A103 PolarHBondContact O-N 3.18Š| ||
| 102 | P | 31.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 126 | 178.6 | 28.4 | -32.6 | 0 | 0 | 0 | 110.1 | T104 | P102-T104 PolarHBondContact O-N 3.18Š| ||
| 103 | A | 35.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -73.2 | 100.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | G101 | G101-A103 PolarHBondContact O-N 3.18Š| ||
| 104 | T | 37.9 | Very low | 34.2 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 97.2 | 155.4 | 18.5 | 0 | 0 | 0 | 0 | 108.4 | P102 | P102-T104 PolarHBondContact O-N 3.18Š| ||
| 105 | V | 34 | Very low | 34.4 | Very low | 216 Ų | 216 | 122.4 Ų | 122.4 | 100% | 1.309 | 81% | 0.809 | S | S | * | * | -172.2 | 0 | 108.4 | -83.3 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 105 of 105 residues in 38.5 ms
(Link to these results)