| 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 | 51.8 | Low | 53.6 | Low | 218 Ų | 218 | 136.9 Ų | 136.9 | 100% | 1.074 | 66% | 0.66 | S | S | * | * | 0 | -18.9 | 0 | -79.5 | -177.3 | -163.2 | 0 | 0 | 114.9 | N3 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.5Å | |||
| 2 | F | 48.3 | Very low | 54.2 | Low | 190 Ų | 190 | 129.3 Ų | 129.3 | 83% | 0.833 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.6 | -23.5 | 179.1 | -104.8 | -95.2 | 0 | 0 | 0 | 115.5 | ||
| 3 | N | 54.1 | Low | 54.9 | Low | 121 Ų | 121 | 120.8 Ų | 120.8 | 65% | 0.647 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.9 | -30.4 | -178.7 | -93.5 | -23 | 0 | 0 | 0 | 114.4 | M1 Y5 V6 F7 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.5Å; N3-Y5 PolarHBondContact O-N 3.31Å; N3-V6 PolarHBondContact O-N 3.29Å; N3-F7 WeakPolarHBondContact O-CD2 3.38Å; N3-F7 PolarHBondContact O-N 3.27Å |
| 4 | L | 48.3 | Very low | 55.4 | Low | 126 Ų | 126 | 117.7 Ų | 117.7 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.5 | -35 | -176.2 | -97.5 | 96.5 | 0 | 0 | 0 | 113.4 | F7 H8 | L4-F7 PolarHBondContact O-N 3.47Å; L4-H8 PolarHBondContact O-N 3.49Å |
| 5 | Y | 46.9 | Very low | 55.8 | Low | 199 Ų | 199 | 114.7 Ų | 114.7 | 78% | 0.78 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.1 | -39 | -179.4 | -90 | -85.4 | 0 | 0 | 0 | 112.7 | N3 H8 S9 | N3-Y5 PolarHBondContact O-N 3.31Å; Y5-H8 PolarHBondContact O-N 3.2Å; Y5-S9 PolarHBondContact O-N 3.46Å; Y5-S9 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 54.6 | Low | 56.1 | Low | 81 Ų | 81 | 107.5 Ų | 107.5 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | N3 S9 L10 | N3-V6 PolarHBondContact O-N 3.29Å; V6-S9 PolarHBondContact O-N 3.01Å; V6-L10 HydrophobicContact CG1-CD1 3.8Å; V6-L10 WeakPolarHBondContact O-CB 3.4Å; V6-L10 PolarHBondContact O-N 3.36Å |
| 7 | F | 50.3 | Low | 56.4 | Low | 149 Ų | 149 | 102.6 Ų | 102.6 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 175.1 | -91 | -83 | 0 | 0 | 0 | 112.5 | N3 L4 L10 F11 | N3-F7 WeakPolarHBondContact O-CD2 3.38Å; N3-F7 PolarHBondContact O-N 3.27Å; L4-F7 PolarHBondContact O-N 3.47Å; F7-L10 PolarHBondContact O-N 2.91Å; F7-F11 WeakPolarHBondContact O-CB 3.31Å; F7-F11 PolarHBondContact O-N 3.03Å |
| 8 | H | 57.7 | Low | 56.6 | Low | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 177.3 | -102.1 | -47.8 | 0 | 0 | 0 | 112.9 | L4 Y5 F11 L12 | L4-H8 PolarHBondContact O-N 3.49Å; Y5-H8 PolarHBondContact O-N 3.2Å; H8-F11 PolarHBondContact O-N 2.99Å; H8-L12 PolarHBondContact O-N 3.46Å |
| 9 | S | 58.9 | Low | 56.6 | Low | 59 Ų | 59 | 98.9 Ų | 98.9 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.1 | -171 | 0 | 0 | 0 | 0 | 112 | Y5 V6 I13 | Y5-S9 PolarHBondContact O-N 3.46Å; Y5-S9 VanDerWaalsContact O-N 3.1Å; V6-S9 PolarHBondContact O-N 3.01Å; S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 WeakPolarHBondContact O-CG1 3.46Å; S9-I13 PolarHBondContact O-N 2.85Å |
| 10 | L | 59.2 | Low | 56.7 | Low | 99 Ų | 99 | 95.6 Ų | 95.6 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.8 | -87.5 | 152.3 | 0 | 0 | 0 | 111.7 | V6 F7 I13 V14 | V6-L10 HydrophobicContact CG1-CD1 3.8Å; V6-L10 WeakPolarHBondContact O-CB 3.4Å; V6-L10 PolarHBondContact O-N 3.36Å; F7-L10 PolarHBondContact O-N 2.91Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.4Å; L10-V14 PolarHBondContact O-N 3.01Å |
| 11 | F | 59.8 | Low | 56.5 | Low | 137 Ų | 137 | 95.6 Ų | 95.6 | 60% | 0.601 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 178.3 | -160.4 | -96.1 | 0 | 0 | 0 | 111.7 | F7 H8 V14 L15 | F7-F11 WeakPolarHBondContact O-CB 3.31Å; F7-F11 PolarHBondContact O-N 3.03Å; H8-F11 PolarHBondContact O-N 2.99Å; F11-V14 PolarHBondContact O-N 3.41Å; F11-L15 HydrophobicContact CD1-CD1 3.81Å; F11-L15 HydrophobicContact CE1-CD1 3.39Å; F11-L15 HydrophobicContact CZ-CD1 4.18Å; F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.22Å |
| 12 | L | 61 | Low | 56.4 | Low | 46 Ų | 46 | 91.9 Ų | 91.9 | 24% | 0.241 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 173 | -115.8 | 106.2 | 0 | 0 | 0 | 111.5 | H8 V14 L15 I16 H56 E60 | H8-L12 PolarHBondContact O-N 3.46Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.27Å; L12-L15 PolarHBondContact O-N 3.04Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.34Å; L12-I16 PolarHBondContact O-N 3.38Å; L12-H56 HydrophobicContact CD2-CB 3.78Å; L12-E60 WeakPolarHBondContact CD2-OE1 3.41Å; L12-E60 WeakPolarHBondContact CG-OE1 3.4Å |
| 13 | I | 62.9 | Low | 56.1 | Low | 18 Ų | 18 | 85.6 Ų | 85.6 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.5 | -70 | 164.6 | 0 | 0 | 0 | 110.6 | S9 L10 I16 I17 I45 | S9-I13 WeakPolarHBondContact O-CD1 3.48Å; S9-I13 WeakPolarHBondContact O-CG1 3.46Å; S9-I13 PolarHBondContact O-N 2.85Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-I16 PolarHBondContact O-N 3.5Å; I13-I17 HydrophobicContact CG2-CD1 3.73Å; I13-I17 HydrophobicContact CG2-CG1 4.45Å; I13-I17 WeakPolarHBondContact O-CB 3.27Å; I13-I17 VanDerWaalsContact O-CD1 3.28Å; I13-I17 WeakPolarHBondContact O-CD1 3.24Å; I13-I17 WeakPolarHBondContact O-CG1 3.41Å; I13-I17 PolarHBondContact O-N 2.98Å; I13-I45 HydrophobicContact CG2-CG2 3.83Å |
| 14 | V | 61.5 | Low | 55.3 | Low | 78 Ų | 78 | 85.8 Ų | 85.8 | 47% | 0.473 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111.5 | L10 F11 L12 I17 T18 | L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.4Å; L10-V14 PolarHBondContact O-N 3.01Å; F11-V14 PolarHBondContact O-N 3.41Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 3.27Å; V14-I17 WeakPolarHBondContact O-CB 3.48Å; V14-I17 PolarHBondContact O-N 3.07Å; V14-T18 PolarHBondContact O-N 3.45Å; V14-T18 PolarHBondContact O-OG1 3.31Å |
| 15 | L | 61.8 | Low | 55.2 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 38% | 0.377 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.8 | -128.5 | 117.6 | 0 | 0 | 0 | 111.7 | F11 L12 I17 T18 L19 | F11-L15 HydrophobicContact CD1-CD1 3.81Å; F11-L15 HydrophobicContact CE1-CD1 3.39Å; F11-L15 HydrophobicContact CZ-CD1 4.18Å; F11-L15 WeakPolarHBondContact O-CB 3.5Å; F11-L15 PolarHBondContact O-N 3.22Å; L12-L15 PolarHBondContact O-N 3.04Å; L15-I17 VanDerWaalsContact C-N 3.31Å; L15-I17 PolarHBondContact O-N 3.45Å; L15-T18 VanDerWaalsContact CA-OG1 3.28Å; L15-T18 WeakPolarHBondContact CA-OG1 3.28Å; L15-T18 PolarHBondContact O-N 2.85Å; L15-T18 PolarHBondContact O-OG1 3.25Å; L15-L19 HydrophobicContact CD2-CD1 4.32Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.3Å |
| 16 | I | 60.2 | Low | 55.7 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 174.6 | -68.2 | 164.8 | 0 | 0 | 0 | 110.1 | L12 I13 T18 L19 L20 L48 H56 L59 E60 | L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.34Å; L12-I16 PolarHBondContact O-N 3.38Å; I13-I16 PolarHBondContact O-N 3.5Å; I16-T18 VanDerWaalsContact C-N 3.35Å; I16-T18 PolarHBondContact O-N 3Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.34Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 WeakPolarHBondContact O-CD1 3.46Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.35Å; I16-L48 HydrophobicContact CG2-CD1 3.86Å; I16-H56 HydrophobicContact CD1-CB 4.23Å; I16-L59 HydrophobicContact CG2-CD2 4.06Å; I16-E60 HydrophobicContact CD1-CG 3.93Å; I16-E60 HydrophobicContact CG1-CG 3.5Å; I16-E60 VanDerWaalsContact CG1-CG 3.5Å |
| 17 | I | 61.2 | Low | 56.4 | Low | 25 Ų | 25 | 82.7 Ų | 82.7 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 175.4 | -72.5 | 160.7 | 0 | 0 | 0 | 111.8 | I13 V14 L15 L20 N21 I45 | I13-I17 HydrophobicContact CG2-CD1 3.73Å; I13-I17 HydrophobicContact CG2-CG1 4.45Å; I13-I17 WeakPolarHBondContact O-CB 3.27Å; I13-I17 VanDerWaalsContact O-CD1 3.28Å; I13-I17 WeakPolarHBondContact O-CD1 3.24Å; I13-I17 WeakPolarHBondContact O-CG1 3.41Å; I13-I17 PolarHBondContact O-N 2.98Å; V14-I17 WeakPolarHBondContact O-CB 3.48Å; V14-I17 PolarHBondContact O-N 3.07Å; L15-I17 VanDerWaalsContact C-N 3.31Å; L15-I17 PolarHBondContact O-N 3.45Å; I17-L20 PolarHBondContact O-N 2.91Å; I17-N21 PolarHBondContact O-N 3.26Å; I17-I45 HydrophobicContact CD1-CB 4.46Å; I17-I45 HydrophobicContact CD1-CD1 3.25Å; I17-I45 HydrophobicContact CD1-CG1 3.41Å; I17-I45 VanDerWaalsContact CD1-CG1 3.41Å; I17-I45 HydrophobicContact CD1-CG2 4.25Å; I17-I45 HydrophobicContact CG1-CD1 3.76Å; I17-I45 HydrophobicContact CG1-CG1 3.59Å |
| 18 | T | 60.1 | Low | 57.9 | Low | 73 Ų | 73 | 77.6 Ų | 77.6 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.4 | -35 | 178.7 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | V14 L15 I16 N21 | V14-T18 PolarHBondContact O-N 3.45Å; V14-T18 PolarHBondContact O-OG1 3.31Å; L15-T18 VanDerWaalsContact CA-OG1 3.28Å; L15-T18 WeakPolarHBondContact CA-OG1 3.28Å; L15-T18 PolarHBondContact O-N 2.85Å; L15-T18 PolarHBondContact O-OG1 3.25Å; I16-T18 VanDerWaalsContact C-N 3.35Å; I16-T18 PolarHBondContact O-N 3Å; T18-N21 PolarHBondContact O-N 3.25Å |
| 19 | L | 57.8 | Low | 59.2 | Low | 62 Ų | 62 | 71.8 Ų | 71.8 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.7 | -74.5 | 164.6 | 0 | 0 | 0 | 111.4 | L15 I16 N21 | L15-L19 HydrophobicContact CD2-CD1 4.32Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.3Å; I16-L19 PolarHBondContact O-N 2.91Å; L19-N21 PolarHBondContact O-N 3.18Å |
| 20 | L | 57.9 | Low | 60.4 | Low | 31 Ų | 31 | 76.3 Ų | 76.3 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.7 | -19.8 | 178.5 | -70.3 | 166.9 | 0 | 0 | 0 | 113.7 | I16 I17 N22 L44 L48 N69 I71 | I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.34Å; I16-L20 WeakPolarHBondContact O-CB 3.34Å; I16-L20 WeakPolarHBondContact O-CD1 3.46Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.35Å; I17-L20 PolarHBondContact O-N 2.91Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.46Å; L20-L44 HydrophobicContact CD1-CD2 3.65Å; L20-L48 HydrophobicContact CD1-CD1 4.4Å; L20-N69 HydrophobicContact CD2-CB 4.44Å; L20-I71 HydrophobicContact CD2-CG2 4.18Å |
| 21 | N | 51.7 | Low | 61.8 | Low | 97 Ų | 97 | 74.8 Ų | 74.8 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.5 | -175.8 | -90.7 | -7.9 | 0 | 0 | 0 | 114.2 | I17 T18 L19 K41 | I17-N21 PolarHBondContact O-N 3.26Å; T18-N21 PolarHBondContact O-N 3.25Å; L19-N21 PolarHBondContact O-N 3.18Å; N21-K41 VanDerWaalsContact CG-NZ 3.34Å; N21-K41 PolarHBondContact ND2-NZ 2.91Å; N21-K41 PolarHBondContact OD1-NZ 2.84Å |
| 22 | N | 49.4 | Very low | 63.1 | Low | 139 Ų | 139 | 76.9 Ų | 76.9 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -115.2 | 5 | -159.2 | -105.3 | -1.9 | 0 | 0 | 0 | 118.5 | L20 | L20-N22 VanDerWaalsContact C-N 3.34Å; L20-N22 PolarHBondContact O-N 3.46Å |
| 23 | V | 42.2 | Very low | 64.4 | Low | 59 Ų | 59 | 75.8 Ų | 75.8 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | trans | -144.4 | 110.1 | 166.9 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | M25 N67 N69 | V23-M25 HydrophobicContact CG1-CB 4.48Å; V23-M25 HydrophobicContact CG1-CG 3.77Å; V23-M25 PolarHBondContact O-N 3.49Å; V23-N67 WeakPolarHBondContact CB-OD1 2.96Å; V23-N67 WeakPolarHBondContact CG1-ND2 3.35Å; V23-N67 WeakPolarHBondContact CG2-OD1 3.49Å; V23-N69 PolarHBondContact O-ND2 2.76Å | ||
| 24 | S | 37.8 | Very low | 65.7 | Low | 125 Ų | 125 | 85.2 Ų | 85.2 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | trans | -79.2 | 96.5 | 158.5 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | M | 47.3 | Very low | 67 | Low | 113 Ų | 113 | 85.3 Ų | 85.3 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | trans | -106.2 | 126.9 | 154.1 | -77.8 | -173.7 | -51.9 | 0 | 0 | 105.8 | V23 S27 N67 | V23-M25 HydrophobicContact CG1-CB 4.48Å; V23-M25 HydrophobicContact CG1-CG 3.77Å; V23-M25 PolarHBondContact O-N 3.49Å; M25-S27 PolarHBondContact O-N 3.06Å; M25-N67 HydrophobicContact CE-CB 4.21Å; M25-N67 WeakPolarHBondContact CE-ND2 3.02Å | ||
| 26 | K | 56.9 | Low | 68.4 | Low | 205 Ų | 205 | 86.5 Ų | 86.5 | 89% | 0.891 | 45% | 0.447 | S | S | * | . | trans | -49.4 | 119.2 | 172.3 | -76.4 | -179.4 | 177.6 | 177.7 | 0 | 108.2 | I28 | K26-I28 PolarHBondContact O-N 2.86Š| ||
| 27 | S | 69 | Low | 69.9 | Low | 23 Ų | 23 | 89 Ų | 89 | 16% | 0.161 | 46% | 0.458 | C | S | . | . | trans | -44.8 | 131 | 174 | 147.3 | 0 | 0 | 0 | 0 | 110.2 | M25 L29 D70 K73 | M25-S27 PolarHBondContact O-N 3.06Å; S27-L29 PolarHBondContact O-N 3.23Å; S27-L29 WeakPolarHBondContact OG-CB 3.27Å; S27-L29 PolarHBondContact OG-N 3.06Å; S27-L29 VanDerWaalsContact OG-N 3.09Å; S27-L29 PolarHBondContact OG-O 2.83Å; S27-D70 WeakPolarHBondContact CA-OD2 3.45Å; S27-D70 WeakPolarHBondContact CB-OD2 3.36Å; S27-K73 WeakPolarHBondContact OG-CD 3.42Å; S27-K73 PolarHBondContact OG-NZ 2.75Å | ||
| 28 | I | 81.5 | Confident | 71.2 | Confident | 41 Ų | 41 | 88.3 Ų | 88.3 | 21% | 0.21 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -67.7 | -23 | 174.7 | -162 | 166.4 | 0 | 0 | 0 | 112.3 | K26 N30 G231 D278 K280 L281 Y284 | K26-I28 PolarHBondContact O-N 2.86Å; I28-N30 PolarHBondContact O-N 3.22Å; I28-G231 VanDerWaalsContact CD1-CA 3.46Å; I28-D278 WeakPolarHBondContact CD1-OD2 3.47Å; I28-K280 HydrophobicContact CD1-CB 4.21Å; I28-L281 HydrophobicContact CD1-CD2 4.36Å; I28-L281 HydrophobicContact CG2-CD2 4.05Å; I28-Y284 HydrophobicContact CG2-CD2 4.14Å; I28-Y284 HydrophobicContact CG2-CE1 4.35Å; I28-Y284 HydrophobicContact CG2-CE2 3.54Å |
| 29 | L | 85.9 | Confident | 72.5 | Confident | 5 Ų | 5 | 92.2 Ų | 92.2 | 3% | 0.026 | 47% | 0.465 | C | S | . | . | trans | -71.3 | 125.1 | 174.6 | -51.6 | -178 | 0 | 0 | 0 | 110.1 | S27 K73 V74 L77 Y284 L310 I312 | S27-L29 PolarHBondContact O-N 3.23Å; S27-L29 WeakPolarHBondContact OG-CB 3.27Å; S27-L29 PolarHBondContact OG-N 3.06Å; S27-L29 VanDerWaalsContact OG-N 3.09Å; S27-L29 PolarHBondContact OG-O 2.83Å; L29-K73 HydrophobicContact CB-CD 4.28Å; L29-K73 HydrophobicContact CD1-CD 4.38Å; L29-K73 HydrophobicContact CD1-CG 4.37Å; L29-K73 PolarHBondContact O-NZ 3.46Å; L29-V74 HydrophobicContact CD1-CG2 4.35Å; L29-L77 HydrophobicContact CD1-CD1 3.63Å; L29-Y284 HydrophobicContact CD1-CD1 3.54Å; L29-Y284 HydrophobicContact CD1-CE1 3.97Å; L29-Y284 HydrophobicContact CD1-CG 4.42Å; L29-Y284 HydrophobicContact CD2-CD1 4.03Å; L29-Y284 HydrophobicContact CD2-CE1 4.5Å; L29-Y284 HydrophobicContact CD2-CG 4.21Å; L29-Y284 HydrophobicContact CG-CD1 3.71Å; L29-Y284 HydrophobicContact CG-CE1 3.87Å; L29-Y284 HydrophobicContact CG-CG 4.39Å; L29-L310 HydrophobicContact CD1-CD2 3.79Å; L29-L310 HydrophobicContact CD2-CB 4.14Å; L29-I312 HydrophobicContact CD2-CD1 4.36Å; L29-I312 HydrophobicContact CD2-CG1 4.05Å | ||
| 30 | N | 82.4 | Confident | 73.9 | Confident | 155 Ų | 155 | 92.8 Ų | 92.8 | 83% | 0.829 | 47% | 0.472 | S | S | * | . | trans | -98.5 | -4.3 | -178.5 | -68.6 | -40.9 | 0 | 0 | 0 | 113.9 | I28 | I28-N30 PolarHBondContact O-N 3.22Š| ||
| 31 | I | 89.5 | Confident | 75 | Confident | 67 Ų | 67 | 95.9 Ų | 95.9 | 34% | 0.344 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 146.5 | -178 | -167.2 | 163.4 | 0 | 0 | 0 | 112.3 | K73 L77 L310 | I31-K73 WeakPolarHBondContact O-CE 3.37Å; I31-L77 HydrophobicContact CG2-CD1 3.87Å; I31-L77 HydrophobicContact CG2-CD2 3.64Å; I31-L77 HydrophobicContact CG2-CG 4.44Å; I31-L310 WeakPolarHBondContact CG2-O 3.44Å |
| 32 | K | 87.8 | Confident | 76.6 | Confident | 181 Ų | 181 | 99.3 Ų | 99.3 | 79% | 0.787 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -91.7 | 136.1 | 169.8 | -69.9 | -173.9 | 179 | -178.4 | 0 | 110.2 | ||
| 33 | P | 88.6 | Confident | 78.4 | Confident | 22 Ų | 22 | 95.2 Ų | 95.2 | 14% | 0.143 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -58 | 143.4 | 172.8 | -22.2 | 32.7 | 0 | 0 | 0 | 112.5 | T35 E36 N76 L77 | P33-T35 WeakPolarHBondContact CB-O 3.3Å; P33-T35 PolarHBondContact O-N 2.81Å; P33-E36 HydrophobicContact CB-CG 4.1Å; P33-E36 HydrophobicContact CG-CG 4.13Å; P33-N76 HydrophobicContact CB-CB 3.77Å; P33-N76 HydrophobicContact CG-CB 3.51Å; P33-L77 HydrophobicContact CB-CD2 4.18Å; P33-L77 HydrophobicContact CG-CD2 3.99Å; P33-L77 HydrophobicContact CG-CG 4.14Å |
| 34 | K | 88.7 | Confident | 80.6 | Confident | 217 Ų | 217 | 93.2 Ų | 93.2 | 94% | 0.943 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -64.3 | -32 | 170 | -68.3 | -178 | -179.5 | 176.6 | 0 | 111.5 | ||
| 35 | T | 90.2 | Very high | 82.8 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -141.4 | 129.8 | 177 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | P33 F37 | P33-T35 WeakPolarHBondContact CB-O 3.3Å; P33-T35 PolarHBondContact O-N 2.81Å; T35-F37 HydrophobicContact CG2-CD1 3.95Å; T35-F37 HydrophobicContact CG2-CE1 3.51Å; T35-F37 HydrophobicContact CG2-CZ 3.87Å |
| 36 | E | 91 | Very high | 84.8 | Confident | 97 Ų | 97 | 90.2 Ų | 90.2 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | trans | -99.9 | 105.9 | 175.7 | -68.1 | -178 | 176.6 | 0 | 0 | 109.5 | P33 K39 | P33-E36 HydrophobicContact CB-CG 4.1Å; P33-E36 HydrophobicContact CG-CG 4.13Å; E36-K39 HydrophobicContact CB-CG 4.01Å; E36-K39 WeakPolarHBondContact O-CE 3.47Å | ||
| 37 | F | 91.2 | Very high | 86.4 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 23% | 0.228 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -81.7 | -37.4 | 174.9 | -55 | -62.2 | 0 | 0 | 0 | 111.5 | T35 F75 N76 A79 K82 | T35-F37 HydrophobicContact CG2-CD1 3.95Å; T35-F37 HydrophobicContact CG2-CE1 3.51Å; T35-F37 HydrophobicContact CG2-CZ 3.87Å; F37-F75 HydrophobicContact CB-CD1 4.33Å; F37-F75 HydrophobicContact CB-CE1 3.89Å; F37-F75 HydrophobicContact CD2-CD1 4.3Å; F37-F75 AromaticContact CD2-CE1 3.96Å; F37-F75 HydrophobicContact CD2-CE1 3.96Å; F37-F75 HydrophobicContact CG-CE1 4.27Å; F37-N76 PolarHBondContact N-OD1 3.36Å; F37-A79 WeakPolarHBondContact CE2-O 3.3Å; F37-K82 HydrophobicContact CB-CB 3.95Å; F37-K82 HydrophobicContact CD1-CB 3.69Å; F37-K82 HydrophobicContact CE1-CB 4.48Å; F37-K82 HydrophobicContact CG-CB 3.99Å |
| 38 | I | 89.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | trans | -103.4 | 104.3 | 176.3 | -61 | 173.5 | 0 | 0 | 0 | 107.7 | D43 L44 T47 F75 N76 | I38-D43 HydrophobicContact CG2-CB 4.32Å; I38-L44 HydrophobicContact CD1-CD1 3.84Å; I38-L44 HydrophobicContact CG2-CB 3.7Å; I38-L44 HydrophobicContact CG2-CD1 4.34Å; I38-T47 HydrophobicContact CD1-CG2 4.12Å; I38-F75 HydrophobicContact CD1-CB 3.97Å; I38-F75 HydrophobicContact CD1-CD1 3.53Å; I38-F75 HydrophobicContact CD1-CE1 4.2Å; I38-F75 HydrophobicContact CD1-CG 3.79Å; I38-F75 HydrophobicContact CG1-CD1 3.92Å; I38-F75 HydrophobicContact CG1-CE1 4.33Å; I38-N76 PolarHBondContact N-OD1 3.06Å; I38-N76 PolarHBondContact O-ND2 3.37Å | ||
| 39 | K | 87.4 | Confident | 87.8 | Confident | 155 Ų | 155 | 81 Ų | 81 | 67% | 0.674 | 39% | 0.393 | S | S | * | . | trans | -108 | -30.2 | 178.5 | -62.4 | -178.5 | -178 | -177.7 | 0 | 111.9 | E36 D43 | E36-K39 HydrophobicContact CB-CG 4.01Å; E36-K39 WeakPolarHBondContact O-CE 3.47Å; K39-D43 PolarHBondContact N-OD2 3.28Å | ||
| 40 | T | 86.2 | Confident | 88.1 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -124.3 | 163 | -177 | 70.3 | 0 | 0 | 0 | 0 | 111 | K42 D43 L44 | T40-K42 PolarHBondContact O-N 2.64Å; T40-K42 PolarHBondContact OG1-N 3.16Å; T40-D43 WeakPolarHBondContact CB-OD2 3.2Å; T40-D43 PolarHBondContact N-OD2 3.19Å; T40-D43 WeakPolarHBondContact O-CB 3.38Å; T40-D43 PolarHBondContact O-N 3.47Å; T40-D43 VanDerWaalsContact O-N 3.12Å; T40-D43 PolarHBondContact OG1-N 2.98Å; T40-D43 PolarHBondContact OG1-OD2 2.91Å; T40-L44 PolarHBondContact O-N 2.84Å; T40-L44 VanDerWaalsContact O-N 3.09Å |
| 41 | K | 80.8 | Confident | 88.6 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.1 | -36.6 | 170.2 | -175.8 | 170.8 | -179.7 | 164.6 | 0 | 112.2 | N21 D43 L44 I45 | N21-K41 VanDerWaalsContact CG-NZ 3.34Å; N21-K41 PolarHBondContact ND2-NZ 2.91Å; N21-K41 PolarHBondContact OD1-NZ 2.84Å; K41-D43 VanDerWaalsContact C-N 3.34Å; K41-D43 PolarHBondContact O-N 2.91Å; K41-L44 PolarHBondContact O-N 3.3Å; K41-I45 HydrophobicContact CG-CD1 3.95Å; K41-I45 HydrophobicContact CG-CG1 4.48Å; K41-I45 WeakPolarHBondContact O-CD1 3.23Å; K41-I45 WeakPolarHBondContact O-CG1 3.49Å; K41-I45 PolarHBondContact O-N 2.92Å |
| 42 | K | 86 | Confident | 88.8 | Confident | 169 Ų | 169 | 78.4 Ų | 78.4 | 74% | 0.735 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64 | -40 | 177.3 | -173.5 | 179.1 | 179.4 | 179.2 | 0 | 111.6 | T40 I45 K46 | T40-K42 PolarHBondContact O-N 2.64Å; T40-K42 PolarHBondContact OG1-N 3.16Å; K42-I45 PolarHBondContact O-N 2.88Å; K42-K46 WeakPolarHBondContact O-CB 3.25Å; K42-K46 PolarHBondContact O-N 2.73Å |
| 43 | D | 88 | Confident | 89 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.9 | -54.8 | -40.2 | 0 | 0 | 0 | 110.6 | I38 K39 T40 K41 I45 K46 T47 | I38-D43 HydrophobicContact CG2-CB 4.32Å; K39-D43 PolarHBondContact N-OD2 3.28Å; T40-D43 WeakPolarHBondContact CB-OD2 3.2Å; T40-D43 PolarHBondContact N-OD2 3.19Å; T40-D43 WeakPolarHBondContact O-CB 3.38Å; T40-D43 PolarHBondContact O-N 3.47Å; T40-D43 VanDerWaalsContact O-N 3.12Å; T40-D43 PolarHBondContact OG1-N 2.98Å; T40-D43 PolarHBondContact OG1-OD2 2.91Å; K41-D43 VanDerWaalsContact C-N 3.34Å; K41-D43 PolarHBondContact O-N 2.91Å; D43-I45 PolarHBondContact O-N 2.66Å; D43-K46 PolarHBondContact O-N 2.88Å; D43-T47 WeakPolarHBondContact O-CB 3.49Å; D43-T47 PolarHBondContact O-N 2.63Å; D43-T47 PolarHBondContact O-OG1 3.26Å; D43-T47 VanDerWaalsContact O-OG1 3.11Å |
| 44 | L | 86.6 | Confident | 89 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 177.6 | -180 | 58.2 | 0 | 0 | 0 | 111.2 | L20 I38 T40 K41 K46 T47 L48 I71 S72 | L20-L44 HydrophobicContact CD1-CD2 3.65Å; I38-L44 HydrophobicContact CD1-CD1 3.84Å; I38-L44 HydrophobicContact CG2-CB 3.7Å; I38-L44 HydrophobicContact CG2-CD1 4.34Å; T40-L44 PolarHBondContact O-N 2.84Å; T40-L44 VanDerWaalsContact O-N 3.09Å; K41-L44 PolarHBondContact O-N 3.3Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.04Å; L44-T47 PolarHBondContact O-N 3.3Å; L44-L48 HydrophobicContact CD1-CD1 3.81Å; L44-L48 HydrophobicContact CD1-CD2 4.25Å; L44-L48 HydrophobicContact CD1-CG 3.79Å; L44-L48 HydrophobicContact CG-CD1 3.85Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CB 3.21Å; L44-L48 VanDerWaalsContact O-CG 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.25Å; L44-I71 HydrophobicContact CD1-CG2 4.25Å; L44-S72 WeakPolarHBondContact CD1-OG 3.29Å; L44-S72 WeakPolarHBondContact CD2-OG 3.34Å |
| 45 | I | 85.5 | Confident | 89.2 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 179.1 | -66.3 | 168.9 | 0 | 0 | 0 | 110.8 | I13 I17 K41 K42 D43 L48 S49 | I13-I45 HydrophobicContact CG2-CG2 3.83Å; I17-I45 HydrophobicContact CD1-CB 4.46Å; I17-I45 HydrophobicContact CD1-CD1 3.25Å; I17-I45 HydrophobicContact CD1-CG1 3.41Å; I17-I45 VanDerWaalsContact CD1-CG1 3.41Å; I17-I45 HydrophobicContact CD1-CG2 4.25Å; I17-I45 HydrophobicContact CG1-CD1 3.76Å; I17-I45 HydrophobicContact CG1-CG1 3.59Å; K41-I45 HydrophobicContact CG-CD1 3.95Å; K41-I45 HydrophobicContact CG-CG1 4.48Å; K41-I45 WeakPolarHBondContact O-CD1 3.23Å; K41-I45 WeakPolarHBondContact O-CG1 3.49Å; K41-I45 PolarHBondContact O-N 2.92Å; K42-I45 PolarHBondContact O-N 2.88Å; D43-I45 PolarHBondContact O-N 2.66Å; I45-L48 PolarHBondContact O-N 2.93Å; I45-S49 VanDerWaalsContact O-CB 3.31Å; I45-S49 WeakPolarHBondContact O-CB 3.33Å; I45-S49 PolarHBondContact O-N 3.32Å; I45-S49 PolarHBondContact O-OG 3.24Å |
| 46 | K | 89.3 | Confident | 89.1 | Confident | 124 Ų | 124 | 64 Ų | 64 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 178.2 | -176.1 | 179.3 | 178.3 | 179.8 | 0 | 111.6 | K42 D43 L44 S49 | K42-K46 WeakPolarHBondContact O-CB 3.25Å; K42-K46 PolarHBondContact O-N 2.73Å; D43-K46 PolarHBondContact O-N 2.88Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.04Å; K46-S49 PolarHBondContact O-OG 3.47Å |
| 47 | T | 90 | Very high | 88.9 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | I38 D43 L44 S49 R50 W51 F75 | I38-T47 HydrophobicContact CD1-CG2 4.12Å; D43-T47 WeakPolarHBondContact O-CB 3.49Å; D43-T47 PolarHBondContact O-N 2.63Å; D43-T47 PolarHBondContact O-OG1 3.26Å; D43-T47 VanDerWaalsContact O-OG1 3.11Å; L44-T47 PolarHBondContact O-N 3.3Å; T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 2.65Å; T47-R50 PolarHBondContact O-N 3Å; T47-W51 HydrophobicContact CG2-CZ2 4.1Å; T47-F75 HydrophobicContact CG2-CD2 4.31Å; T47-F75 HydrophobicContact CG2-CE1 4.16Å; T47-F75 HydrophobicContact CG2-CE2 3.79Å; T47-F75 HydrophobicContact CG2-CZ 3.71Å |
| 48 | L | 89.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 179.4 | -67.8 | 179.5 | 0 | 0 | 0 | 111.4 | I16 L20 L44 I45 R50 W51 H56 L59 | I16-L48 HydrophobicContact CG2-CD1 3.86Å; L20-L48 HydrophobicContact CD1-CD1 4.4Å; L44-L48 HydrophobicContact CD1-CD1 3.81Å; L44-L48 HydrophobicContact CD1-CD2 4.25Å; L44-L48 HydrophobicContact CD1-CG 3.79Å; L44-L48 HydrophobicContact CG-CD1 3.85Å; L44-L48 HydrophobicContact CG-CG 4.21Å; L44-L48 WeakPolarHBondContact O-CB 3.21Å; L44-L48 VanDerWaalsContact O-CG 3.28Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.25Å; I45-L48 PolarHBondContact O-N 2.93Å; L48-R50 PolarHBondContact O-N 3.35Å; L48-W51 HydrophobicContact CD2-CD2 4.02Å; L48-W51 HydrophobicContact CD2-CE3 3.49Å; L48-W51 VanDerWaalsContact CD2-CE3 3.49Å; L48-W51 HydrophobicContact CD2-CH2 3.73Å; L48-W51 HydrophobicContact CD2-CZ2 4.2Å; L48-W51 HydrophobicContact CD2-CZ3 3.36Å; L48-W51 WeakPolarHBondContact O-CB 3.33Å; L48-W51 PolarHBondContact O-N 2.01Å; L48-H56 PolarHBondContact O-CE1 2.64Å; L48-H56 PolarHBondContact O-NE2 3.38Å; L48-L59 HydrophobicContact CD1-CD2 4.32Å; L48-L59 HydrophobicContact CD2-CD2 3.85Å |
| 49 | S | 90.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -16.8 | -179.2 | 72.7 | 0 | 0 | 0 | 0 | 115.3 | I45 K46 T47 | I45-S49 VanDerWaalsContact O-CB 3.31Å; I45-S49 WeakPolarHBondContact O-CB 3.33Å; I45-S49 PolarHBondContact O-N 3.32Å; I45-S49 PolarHBondContact O-OG 3.24Å; K46-S49 PolarHBondContact O-OG 3.47Å; T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 2.65Å |
| 50 | R | 92.3 | Very high | 88.5 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -14.7 | 178 | -62.9 | 160.3 | 171.6 | -172.6 | -19 | 113.1 | T47 L48 D83 | T47-R50 PolarHBondContact O-N 3Å; L48-R50 PolarHBondContact O-N 3.35Å; R50-D83 IonicContact CZ-OD1 2.83Å; R50-D83 VanDerWaalsContact CZ-OD1 3.24Å; R50-D83 IonicContact NH1-OD1 3.21Å; R50-D83 PolarHBondContact NH1-OD1 2.79Å; R50-D83 IonicContact NH2-OD1 3.87Å; R50-D83 PolarHBondContact NH2-OD1 3.3Å; R50-D83 VanDerWaalsContact NH2-OD1 3.15Å |
| 51 | W | 93.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75.1 | 151.7 | -175.8 | -66.8 | 0.6 | 0 | 0 | 0 | 111.2 | T47 L48 I55 H56 I71 F75 A84 P86 W287 F291 | T47-W51 HydrophobicContact CG2-CZ2 4.1Å; L48-W51 HydrophobicContact CD2-CD2 4.02Å; L48-W51 HydrophobicContact CD2-CE3 3.49Å; L48-W51 VanDerWaalsContact CD2-CE3 3.49Å; L48-W51 HydrophobicContact CD2-CH2 3.73Å; L48-W51 HydrophobicContact CD2-CZ2 4.2Å; L48-W51 HydrophobicContact CD2-CZ3 3.36Å; L48-W51 WeakPolarHBondContact O-CB 3.33Å; L48-W51 PolarHBondContact O-N 2.01Å; W51-I55 HydrophobicContact CD2-CG2 4.38Å; W51-I55 HydrophobicContact CE3-CG2 3.6Å; W51-I55 HydrophobicContact CZ3-CG2 4.16Å; W51-H56 PolarHBondContact O-CE1 3.09Å; W51-H56 PolarHBondContact O-ND1 3.48Å; W51-I71 HydrophobicContact CH2-CD1 4.08Å; W51-I71 HydrophobicContact CH2-CG1 3.92Å; W51-I71 HydrophobicContact CZ3-CD1 4.33Å; W51-I71 HydrophobicContact CZ3-CG1 4.17Å; W51-F75 HydrophobicContact CH2-CD2 4.36Å; W51-F75 AromaticContact CZ2-CD2 3.62Å; W51-F75 HydrophobicContact CZ2-CD2 3.62Å; W51-F75 AromaticContact CZ2-CE2 3.87Å; W51-F75 HydrophobicContact CZ2-CE2 3.87Å; W51-A84 PolarHBondContact NE1-O 2.66Å; W51-P86 HydrophobicContact CB-CG 4.39Å; W51-P86 VanDerWaalsContact CD1-CD 3.41Å; W51-P86 HydrophobicContact CD2-CG 3.55Å; W51-P86 HydrophobicContact CE3-CG 3.86Å; W51-P86 HydrophobicContact CG-CG 3.8Å; W51-P86 HydrophobicContact CZ2-CG 4.32Å; W51-P86 HydrophobicContact CZ3-CG 4.34Å; W51-W287 HydrophobicContact CZ3-CZ3 4.22Å; W51-F291 AromaticContact CH2-CZ 3.79Å; W51-F291 HydrophobicContact CH2-CZ 3.79Å; W51-F291 HydrophobicContact CZ2-CE1 4.06Å; W51-F291 AromaticContact CZ2-CZ 3.71Å; W51-F291 HydrophobicContact CZ2-CZ 3.71Å |
| 52 | P | 93.3 | Very high | 88.2 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | trans | -58.7 | 148.9 | 174.1 | -24.8 | 34 | 0 | 0 | 0 | 112.3 | T54 I55 H56 I85 | P52-T54 PolarHBondContact O-N 3.44Å; P52-I55 HydrophobicContact CB-CG1 4.31Å; P52-I55 HydrophobicContact CG-CG1 4.35Å; P52-I55 PolarHBondContact O-N 2.89Å; P52-H56 PolarHBondContact O-N 2.79Å; P52-H56 PolarHBondContact O-ND1 2.93Å; P52-I85 HydrophobicContact CG-CG2 4.22Å | ||
| 53 | T | 90.9 | Very high | 87.8 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.8 | -31 | 177.3 | -48.5 | 0 | 0 | 0 | 0 | 112.6 | I55 H56 R57 | T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.01Å; T53-H56 WeakPolarHBondContact O-CB 3.03Å; T53-H56 PolarHBondContact O-N 3.31Å; T53-R57 PolarHBondContact O-N 3.18Å |
| 54 | T | 90.2 | Very high | 87.3 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | P52 K58 | P52-T54 PolarHBondContact O-N 3.44Å; T54-K58 PolarHBondContact O-N 2.78Å |
| 55 | I | 92 | Very high | 86.5 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 176.9 | -57.5 | -67.4 | 0 | 0 | 0 | 110.8 | W51 P52 T53 R57 K58 L59 P86 L88 W287 M290 | W51-I55 HydrophobicContact CD2-CG2 4.38Å; W51-I55 HydrophobicContact CE3-CG2 3.6Å; W51-I55 HydrophobicContact CZ3-CG2 4.16Å; P52-I55 HydrophobicContact CB-CG1 4.31Å; P52-I55 HydrophobicContact CG-CG1 4.35Å; P52-I55 PolarHBondContact O-N 2.89Å; T53-I55 VanDerWaalsContact C-N 3.3Å; T53-I55 PolarHBondContact O-N 3.01Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 2.77Å; I55-K58 PolarHBondContact O-N 2.98Å; I55-K58 VanDerWaalsContact O-N 3.14Å; I55-L59 PolarHBondContact O-N 3.26Å; I55-P86 HydrophobicContact CB-CG 4.31Å; I55-P86 HydrophobicContact CD1-CB 4.34Å; I55-P86 HydrophobicContact CD1-CG 4.35Å; I55-P86 HydrophobicContact CG1-CG 4Å; I55-P86 HydrophobicContact CG2-CB 4.39Å; I55-P86 HydrophobicContact CG2-CG 3.71Å; I55-L88 HydrophobicContact CD1-CD1 4.04Å; I55-L88 HydrophobicContact CD1-CD2 3.86Å; I55-L88 HydrophobicContact CD1-CG 3.71Å; I55-W287 HydrophobicContact CG2-CH2 4.09Å; I55-W287 HydrophobicContact CG2-CZ3 3.83Å; I55-M290 HydrophobicContact CD1-SD 4.13Å |
| 56 | H | 89.2 | Confident | 85.4 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 174.9 | -73.2 | 92.1 | 0 | 0 | 0 | 111.5 | L12 I16 L48 W51 P52 T53 K58 L59 E60 | L12-H56 HydrophobicContact CD2-CB 3.78Å; I16-H56 HydrophobicContact CD1-CB 4.23Å; L48-H56 PolarHBondContact O-CE1 2.64Å; L48-H56 PolarHBondContact O-NE2 3.38Å; W51-H56 PolarHBondContact O-CE1 3.09Å; W51-H56 PolarHBondContact O-ND1 3.48Å; P52-H56 PolarHBondContact O-N 2.79Å; P52-H56 PolarHBondContact O-ND1 2.93Å; T53-H56 WeakPolarHBondContact O-CB 3.03Å; T53-H56 PolarHBondContact O-N 3.31Å; H56-K58 VanDerWaalsContact C-N 3.32Å; H56-K58 PolarHBondContact O-N 3.4Å; H56-L59 PolarHBondContact O-N 3.41Å; H56-L59 VanDerWaalsContact O-N 3.16Å; H56-E60 WeakPolarHBondContact O-CG 3.29Å; H56-E60 PolarHBondContact O-N 2.76Å |
| 57 | R | 86.7 | Confident | 84.1 | Confident | 176 Ų | 176 | 51.6 Ų | 51.6 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -40.6 | 176.4 | -174.8 | 178.8 | 177.5 | -179.8 | -1.2 | 112.3 | T53 I55 E60 L61 | T53-R57 PolarHBondContact O-N 3.18Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 2.77Å; R57-E60 PolarHBondContact O-N 2.85Å; R57-L61 HydrophobicContact CG-CD1 4.25Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.21Å |
| 58 | K | 87.6 | Confident | 82.9 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175 | -76 | -174.6 | -178.7 | -73.8 | 0 | 111.5 | T54 I55 H56 L61 H62 L88 E191 W287 | T54-K58 PolarHBondContact O-N 2.78Å; I55-K58 PolarHBondContact O-N 2.98Å; I55-K58 VanDerWaalsContact O-N 3.14Å; H56-K58 VanDerWaalsContact C-N 3.32Å; H56-K58 PolarHBondContact O-N 3.4Å; K58-L61 PolarHBondContact O-N 2.7Å; K58-H62 WeakPolarHBondContact O-CB 3.13Å; K58-H62 PolarHBondContact O-N 3.33Å; K58-L88 HydrophobicContact CD-CD1 4.1Å; K58-L88 HydrophobicContact CD-CD2 3.82Å; K58-L88 VanDerWaalsContact CE-CD1 3.44Å; K58-E191 IonicContact NZ-OE1 3.93Å; K58-E191 PolarHBondContact NZ-OE1 3.07Å; K58-W287 HydrophobicContact CB-CH2 4.46Å |
| 59 | L | 87.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.7 | -173.5 | 61.4 | 0 | 0 | 0 | 112 | I16 L48 I55 H56 H62 N63 I71 W287 | I16-L59 HydrophobicContact CG2-CD2 4.06Å; L48-L59 HydrophobicContact CD1-CD2 4.32Å; L48-L59 HydrophobicContact CD2-CD2 3.85Å; I55-L59 PolarHBondContact O-N 3.26Å; H56-L59 PolarHBondContact O-N 3.41Å; H56-L59 VanDerWaalsContact O-N 3.16Å; L59-H62 PolarHBondContact O-N 2.88Å; L59-N63 WeakPolarHBondContact O-CB 3.35Å; L59-N63 VanDerWaalsContact O-CG 3.24Å; L59-N63 PolarHBondContact O-N 3.45Å; L59-N63 PolarHBondContact O-OD1 3.32Å; L59-I71 HydrophobicContact CD1-CB 4.18Å; L59-I71 HydrophobicContact CD1-CD1 4.34Å; L59-I71 HydrophobicContact CD1-CG1 4.06Å; L59-W287 HydrophobicContact CB-CH2 3.7Å; L59-W287 HydrophobicContact CB-CZ2 3.99Å; L59-W287 HydrophobicContact CD1-CH2 3.89Å; L59-W287 HydrophobicContact CD1-CZ2 3.7Å; L59-W287 HydrophobicContact CG-CH2 4.36Å; L59-W287 HydrophobicContact CG-CZ2 4.47Å |
| 60 | E | 82.7 | Confident | 81.6 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -49.1 | 176.9 | -73.6 | 178.8 | 163.1 | 0 | 0 | 112.7 | L12 I16 H56 R57 H62 N63 K64 | L12-E60 WeakPolarHBondContact CD2-OE1 3.41Å; L12-E60 WeakPolarHBondContact CG-OE1 3.4Å; I16-E60 HydrophobicContact CD1-CG 3.93Å; I16-E60 HydrophobicContact CG1-CG 3.5Å; I16-E60 VanDerWaalsContact CG1-CG 3.5Å; H56-E60 WeakPolarHBondContact O-CG 3.29Å; H56-E60 PolarHBondContact O-N 2.76Å; R57-E60 PolarHBondContact O-N 2.85Å; E60-H62 PolarHBondContact O-N 3.35Å; E60-N63 PolarHBondContact O-N 2.9Å; E60-K64 WeakPolarHBondContact O-CB 3.49Å; E60-K64 PolarHBondContact O-N 3.01Å |
| 61 | L | 81 | Confident | 81.4 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 37% | 0.366 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.8 | -43 | 175.8 | -74.9 | 168.4 | 0 | 0 | 0 | 110.8 | R57 K58 K64 N65 | R57-L61 HydrophobicContact CG-CD1 4.25Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.21Å; K58-L61 PolarHBondContact O-N 2.7Å; L61-K64 PolarHBondContact O-N 3.04Å; L61-N65 WeakPolarHBondContact O-CB 3.02Å; L61-N65 PolarHBondContact O-N 3.14Å; L61-N65 PolarHBondContact O-ND2 3.49Å |
| 62 | H | 80 | Confident | 81.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -51.9 | 179.7 | -166.7 | 65.8 | 0 | 0 | 0 | 111.8 | K58 L59 E60 K64 N65 S66 F68 S194 P283 W287 | K58-H62 WeakPolarHBondContact O-CB 3.13Å; K58-H62 PolarHBondContact O-N 3.33Å; L59-H62 PolarHBondContact O-N 2.88Å; E60-H62 PolarHBondContact O-N 3.35Å; H62-K64 VanDerWaalsContact C-N 3.25Å; H62-K64 PolarHBondContact O-N 3.3Å; H62-N65 PolarHBondContact O-N 3.35Å; H62-N65 VanDerWaalsContact O-N 3.09Å; H62-S66 PolarHBondContact CD2-OG 3.47Å; H62-S66 PolarHBondContact CE1-OG 3.31Å; H62-S66 PolarHBondContact ND1-OG 3.09Å; H62-S66 PolarHBondContact NE2-OG 3.16Å; H62-S66 VanDerWaalsContact NE2-OG 3.17Å; H62-S66 PolarHBondContact O-N 3.47Å; H62-S66 PolarHBondContact O-OG 3.11Å; H62-F68 WeakPolarHBondContact CD2-CB 3.04Å; H62-F68 AromaticContact CD2-CD1 3.31Å; H62-F68 WeakPolarHBondContact CD2-CD1 3.43Å; H62-F68 AromaticContact CD2-CG 3.42Å; H62-F68 VanDerWaalsContact CD2-CG 3.42Å; H62-F68 WeakPolarHBondContact CD2-CG 3.31Å; H62-F68 WeakPolarHBondContact NE2-CB 3.44Å; H62-F68 AromaticContact NE2-CD1 3.43Å; H62-F68 WeakPolarHBondContact NE2-CD1 3.18Å; H62-F68 AromaticContact NE2-CD2 3.72Å; H62-F68 AromaticContact NE2-CG 3.12Å; H62-F68 WeakPolarHBondContact NE2-CG 3.22Å; H62-S194 VanDerWaalsContact CE1-CB 3.4Å; H62-S194 WeakPolarHBondContact CE1-CB 3.41Å; H62-S194 PolarHBondContact CE1-O 2.96Å; H62-S194 PolarHBondContact ND1-O 3.41Å; H62-P283 WeakPolarHBondContact NE2-CB 3.4Å; H62-W287 HydrophobicContact CB-CZ2 4.35Å; H62-W287 AromaticContact CD2-CD1 3.91Å; H62-W287 AromaticContact CD2-NE1 3.08Å; H62-W287 PolarHBondContact CD2-NE1 3.32Å; H62-W287 AromaticContact CE1-NE1 3.94Å; H62-W287 AromaticContact CG-NE1 3.61Å; H62-W287 AromaticContact NE2-CD1 3.72Å; H62-W287 AromaticContact NE2-NE1 3.33Å; H62-W287 PolarHBondContact NE2-NE1 3.35Å |
| 63 | N | 78.4 | Confident | 81 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 178.8 | -68.1 | 4 | 0 | 0 | 0 | 112 | L59 E60 N67 F68 | L59-N63 WeakPolarHBondContact O-CB 3.35Å; L59-N63 VanDerWaalsContact O-CG 3.24Å; L59-N63 PolarHBondContact O-N 3.45Å; L59-N63 PolarHBondContact O-OD1 3.32Å; E60-N63 PolarHBondContact O-N 2.9Å; N63-N67 PolarHBondContact O-N 2.86Å; N63-F68 PolarHBondContact OD1-O 3.49Å |
| 64 | K | 76.7 | Confident | 81.1 | Confident | 165 Ų | 165 | 41.9 Ų | 41.9 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.2 | -40 | 176.6 | -175.2 | 179.2 | 178.4 | -178.6 | 0 | 112.3 | E60 L61 H62 | E60-K64 WeakPolarHBondContact O-CB 3.49Å; E60-K64 PolarHBondContact O-N 3.01Å; L61-K64 PolarHBondContact O-N 3.04Å; H62-K64 VanDerWaalsContact C-N 3.25Å; H62-K64 PolarHBondContact O-N 3.3Å |
| 65 | N | 69.5 | Low | 81.3 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -94.9 | -46.6 | -170.9 | -62.1 | -15.6 | 0 | 0 | 0 | 112.4 | L61 H62 Q195 N199 | L61-N65 WeakPolarHBondContact O-CB 3.02Å; L61-N65 PolarHBondContact O-N 3.14Å; L61-N65 PolarHBondContact O-ND2 3.49Å; H62-N65 PolarHBondContact O-N 3.35Å; H62-N65 VanDerWaalsContact O-N 3.09Å; N65-Q195 WeakPolarHBondContact CB-O 3.5Å; N65-Q195 PolarHBondContact ND2-O 3.08Å; N65-N199 VanDerWaalsContact O-CG 3.26Å; N65-N199 PolarHBondContact O-ND2 2.96Å; N65-N199 PolarHBondContact O-OD1 2.76Å |
| 66 | S | 63.6 | Low | 81.4 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -100.7 | -4.8 | -171.9 | 69.3 | 0 | 0 | 0 | 0 | 114.9 | H62 F68 | H62-S66 PolarHBondContact CD2-OG 3.47Å; H62-S66 PolarHBondContact CE1-OG 3.31Å; H62-S66 PolarHBondContact ND1-OG 3.09Å; H62-S66 PolarHBondContact NE2-OG 3.16Å; H62-S66 VanDerWaalsContact NE2-OG 3.17Å; H62-S66 PolarHBondContact O-N 3.47Å; H62-S66 PolarHBondContact O-OG 3.11Å; S66-F68 PolarHBondContact O-N 3.18Å; S66-F68 WeakPolarHBondContact OG-CB 3.28Å |
| 67 | N | 61.1 | Low | 81.7 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | trans | 54.1 | 34.7 | -174.2 | -166.1 | 22.4 | 0 | 0 | 0 | 113.4 | V23 M25 N63 N69 | V23-N67 WeakPolarHBondContact CB-OD1 2.96Å; V23-N67 WeakPolarHBondContact CG1-ND2 3.35Å; V23-N67 WeakPolarHBondContact CG2-OD1 3.49Å; M25-N67 HydrophobicContact CE-CB 4.21Å; M25-N67 WeakPolarHBondContact CE-ND2 3.02Å; N63-N67 PolarHBondContact O-N 2.86Å; N67-N69 PolarHBondContact O-N 3.07Å; N67-N69 PolarHBondContact OD1-ND2 3.39Å | ||
| 68 | F | 65.7 | Low | 82.2 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | trans | -82.1 | 97.6 | -179.9 | 178.2 | -98.3 | 0 | 0 | 0 | 111.3 | H62 N63 S66 I71 V74 P283 Y284 W287 | H62-F68 WeakPolarHBondContact CD2-CB 3.04Å; H62-F68 AromaticContact CD2-CD1 3.31Å; H62-F68 WeakPolarHBondContact CD2-CD1 3.43Å; H62-F68 AromaticContact CD2-CG 3.42Å; H62-F68 VanDerWaalsContact CD2-CG 3.42Å; H62-F68 WeakPolarHBondContact CD2-CG 3.31Å; H62-F68 WeakPolarHBondContact NE2-CB 3.44Å; H62-F68 AromaticContact NE2-CD1 3.43Å; H62-F68 WeakPolarHBondContact NE2-CD1 3.18Å; H62-F68 AromaticContact NE2-CD2 3.72Å; H62-F68 AromaticContact NE2-CG 3.12Å; H62-F68 WeakPolarHBondContact NE2-CG 3.22Å; N63-F68 PolarHBondContact OD1-O 3.49Å; S66-F68 PolarHBondContact O-N 3.18Å; S66-F68 WeakPolarHBondContact OG-CB 3.28Å; F68-I71 HydrophobicContact CE1-CB 4.04Å; F68-I71 HydrophobicContact CE1-CD1 4.09Å; F68-V74 HydrophobicContact CE2-CG2 4.3Å; F68-V74 HydrophobicContact CZ-CB 4.46Å; F68-V74 HydrophobicContact CZ-CG2 3.72Å; F68-P283 HydrophobicContact CD2-CB 3.62Å; F68-P283 HydrophobicContact CE2-CB 3.95Å; F68-P283 HydrophobicContact CG-CB 4.31Å; F68-Y284 HydrophobicContact CD2-CD1 4.5Å; F68-Y284 HydrophobicContact CD2-CE1 4.27Å; F68-Y284 HydrophobicContact CD2-CE2 4.27Å; F68-Y284 AromaticContact CE2-CD1 3.52Å; F68-Y284 HydrophobicContact CE2-CD1 3.52Å; F68-Y284 HydrophobicContact CE2-CD2 4.07Å; F68-Y284 AromaticContact CE2-CE1 3.63Å; F68-Y284 HydrophobicContact CE2-CE1 3.63Å; F68-Y284 HydrophobicContact CE2-CE2 4.13Å; F68-Y284 AromaticContact CE2-CG 3.77Å; F68-Y284 HydrophobicContact CE2-CG 3.77Å; F68-Y284 AromaticContact CE2-CZ 3.93Å; F68-Y284 HydrophobicContact CZ-CD1 4.23Å; F68-W287 AromaticContact CD1-CD1 3.93Å; F68-W287 AromaticContact CD1-NE1 3.94Å; F68-W287 HydrophobicContact CE1-CB 4.47Å; F68-W287 AromaticContact CE1-CD1 3.39Å; F68-W287 HydrophobicContact CE1-CD2 4.49Å; F68-W287 AromaticContact CE1-CG 3.89Å; F68-W287 HydrophobicContact CE1-CG 3.89Å; F68-W287 AromaticContact CE1-NE1 3.78Å; F68-W287 HydrophobicContact CZ-CB 4.28Å; F68-W287 AromaticContact CZ-CD1 3.66Å; F68-W287 HydrophobicContact CZ-CG 4.11Å | ||
| 69 | N | 68 | Low | 82.6 | Confident | 28 Ų | 28 | 29.6 Ų | 29.6 | 15% | 0.15 | 15% | 0.151 | C | C | . | . | trans | -100.8 | -0 | -178.5 | -58.1 | -41.8 | 0 | 0 | 0 | 113.4 | L20 V23 N67 I71 | L20-N69 HydrophobicContact CD2-CB 4.44Å; V23-N69 PolarHBondContact O-ND2 2.76Å; N67-N69 PolarHBondContact O-N 3.07Å; N67-N69 PolarHBondContact OD1-ND2 3.39Å; N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 PolarHBondContact O-N 3.21Å | ||
| 70 | D | 83.6 | Confident | 82.8 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 23.4 | -172 | -75.8 | -33.7 | 0 | 0 | 0 | 114.3 | S27 S72 K73 V74 Y284 | S27-D70 WeakPolarHBondContact CA-OD2 3.45Å; S27-D70 WeakPolarHBondContact CB-OD2 3.36Å; D70-S72 PolarHBondContact O-N 2.84Å; D70-K73 HydrophobicContact CB-CB 4.39Å; D70-K73 WeakPolarHBondContact O-CB 3.32Å; D70-K73 PolarHBondContact O-N 2.75Å; D70-V74 PolarHBondContact O-N 2.96Å; D70-Y284 HydrophobicContact CB-CE1 3.75Å; D70-Y284 PolarHBondContact OD2-OH 3.31Å; D70-Y284 VanDerWaalsContact OD2-OH 3.11Å |
| 71 | I | 87.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -37.1 | -180 | -170.6 | 60.1 | 0 | 0 | 0 | 112.4 | L20 L44 W51 L59 F68 N69 K73 V74 F75 W287 | L20-I71 HydrophobicContact CD2-CG2 4.18Å; L44-I71 HydrophobicContact CD1-CG2 4.25Å; W51-I71 HydrophobicContact CH2-CD1 4.08Å; W51-I71 HydrophobicContact CH2-CG1 3.92Å; W51-I71 HydrophobicContact CZ3-CD1 4.33Å; W51-I71 HydrophobicContact CZ3-CG1 4.17Å; L59-I71 HydrophobicContact CD1-CB 4.18Å; L59-I71 HydrophobicContact CD1-CD1 4.34Å; L59-I71 HydrophobicContact CD1-CG1 4.06Å; F68-I71 HydrophobicContact CE1-CB 4.04Å; F68-I71 HydrophobicContact CE1-CD1 4.09Å; N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 PolarHBondContact O-N 3.21Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 2.83Å; I71-V74 PolarHBondContact O-N 3.45Å; I71-F75 WeakPolarHBondContact O-CB 3.19Å; I71-F75 PolarHBondContact O-N 3.34Å; I71-W287 HydrophobicContact CD1-CB 4.35Å; I71-W287 HydrophobicContact CD1-CD2 3.7Å; I71-W287 HydrophobicContact CD1-CE3 3.53Å; I71-W287 HydrophobicContact CD1-CG 4.06Å; I71-W287 HydrophobicContact CD1-CZ3 4.1Å |
| 72 | S | 89.1 | Confident | 83.8 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -40 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | L44 D70 N76 | L44-S72 WeakPolarHBondContact CD1-OG 3.29Å; L44-S72 WeakPolarHBondContact CD2-OG 3.34Å; D70-S72 PolarHBondContact O-N 2.84Å; S72-N76 WeakPolarHBondContact O-CB 3.13Å; S72-N76 VanDerWaalsContact O-CG 3.26Å; S72-N76 PolarHBondContact O-N 2.67Å; S72-N76 PolarHBondContact O-ND2 2.96Å |
| 73 | K | 90.8 | Very high | 84.4 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.1 | -44.8 | -179.2 | -171.6 | 169.6 | -174.8 | 170.4 | 0 | 111 | S27 L29 I31 D70 I71 F75 N76 L77 | S27-K73 WeakPolarHBondContact OG-CD 3.42Å; S27-K73 PolarHBondContact OG-NZ 2.75Å; L29-K73 HydrophobicContact CB-CD 4.28Å; L29-K73 HydrophobicContact CD1-CD 4.38Å; L29-K73 HydrophobicContact CD1-CG 4.37Å; L29-K73 PolarHBondContact O-NZ 3.46Å; I31-K73 WeakPolarHBondContact O-CE 3.37Å; D70-K73 HydrophobicContact CB-CB 4.39Å; D70-K73 WeakPolarHBondContact O-CB 3.32Å; D70-K73 PolarHBondContact O-N 2.75Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 2.83Å; K73-F75 VanDerWaalsContact C-N 3.3Å; K73-F75 PolarHBondContact O-N 3.1Å; K73-N76 PolarHBondContact O-N 3.39Å; K73-L77 HydrophobicContact CG-CD1 3.92Å; K73-L77 WeakPolarHBondContact O-CB 3.27Å; K73-L77 VanDerWaalsContact O-CG 3.29Å; K73-L77 WeakPolarHBondContact O-CG 3.32Å; K73-L77 PolarHBondContact O-N 3.16Å |
| 74 | V | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L29 F68 D70 I71 L77 C78 Y284 W287 C288 L310 | L29-V74 HydrophobicContact CD1-CG2 4.35Å; F68-V74 HydrophobicContact CE2-CG2 4.3Å; F68-V74 HydrophobicContact CZ-CB 4.46Å; F68-V74 HydrophobicContact CZ-CG2 3.72Å; D70-V74 PolarHBondContact O-N 2.96Å; I71-V74 PolarHBondContact O-N 3.45Å; V74-L77 PolarHBondContact O-N 2.81Å; V74-C78 WeakPolarHBondContact O-CB 3.14Å; V74-C78 PolarHBondContact O-N 3.28Å; V74-Y284 HydrophobicContact CG2-CD1 3.64Å; V74-Y284 HydrophobicContact CG2-CE1 4.49Å; V74-Y284 HydrophobicContact CG2-CG 4.44Å; V74-W287 HydrophobicContact CG1-CB 3.83Å; V74-C288 HydrophobicContact CG1-CB 4.12Å; V74-L310 HydrophobicContact CG1-CD2 4.38Å; V74-L310 HydrophobicContact CG2-CD2 4.13Å |
| 75 | F | 93.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 175 | -173.5 | -90.7 | 0 | 0 | 0 | 111.6 | F37 I38 T47 W51 I71 K73 L77 C78 A79 A84 F291 | F37-F75 HydrophobicContact CB-CD1 4.33Å; F37-F75 HydrophobicContact CB-CE1 3.89Å; F37-F75 HydrophobicContact CD2-CD1 4.3Å; F37-F75 AromaticContact CD2-CE1 3.96Å; F37-F75 HydrophobicContact CD2-CE1 3.96Å; F37-F75 HydrophobicContact CG-CE1 4.27Å; I38-F75 HydrophobicContact CD1-CB 3.97Å; I38-F75 HydrophobicContact CD1-CD1 3.53Å; I38-F75 HydrophobicContact CD1-CE1 4.2Å; I38-F75 HydrophobicContact CD1-CG 3.79Å; I38-F75 HydrophobicContact CG1-CD1 3.92Å; I38-F75 HydrophobicContact CG1-CE1 4.33Å; T47-F75 HydrophobicContact CG2-CD2 4.31Å; T47-F75 HydrophobicContact CG2-CE1 4.16Å; T47-F75 HydrophobicContact CG2-CE2 3.79Å; T47-F75 HydrophobicContact CG2-CZ 3.71Å; W51-F75 HydrophobicContact CH2-CD2 4.36Å; W51-F75 AromaticContact CZ2-CD2 3.62Å; W51-F75 HydrophobicContact CZ2-CD2 3.62Å; W51-F75 AromaticContact CZ2-CE2 3.87Å; W51-F75 HydrophobicContact CZ2-CE2 3.87Å; I71-F75 WeakPolarHBondContact O-CB 3.19Å; I71-F75 PolarHBondContact O-N 3.34Å; K73-F75 VanDerWaalsContact C-N 3.3Å; K73-F75 PolarHBondContact O-N 3.1Å; F75-L77 PolarHBondContact O-N 2.87Å; F75-C78 PolarHBondContact O-N 2.9Å; F75-A79 HydrophobicContact CD1-CB 4Å; F75-A79 HydrophobicContact CD2-CB 3.85Å; F75-A79 HydrophobicContact CE1-CB 3.83Å; F75-A79 HydrophobicContact CE2-CB 3.71Å; F75-A79 HydrophobicContact CG-CB 4.02Å; F75-A79 HydrophobicContact CZ-CB 3.7Å; F75-A79 WeakPolarHBondContact O-CA 3.42Å; F75-A79 WeakPolarHBondContact O-CB 3.19Å; F75-A79 PolarHBondContact O-N 3.3Å; F75-A84 HydrophobicContact CE2-CB 4.15Å; F75-A84 HydrophobicContact CZ-CB 4.2Å; F75-F291 HydrophobicContact CD2-CD1 4.36Å; F75-F291 AromaticContact CD2-CE1 3.67Å; F75-F291 HydrophobicContact CD2-CE1 3.67Å; F75-F291 HydrophobicContact CD2-CE2 4.39Å; F75-F291 AromaticContact CD2-CZ 3.7Å; F75-F291 HydrophobicContact CD2-CZ 3.7Å; F75-F291 HydrophobicContact CE2-CD1 4.42Å; F75-F291 AromaticContact CE2-CE1 3.81Å; F75-F291 HydrophobicContact CE2-CE1 3.81Å; F75-F291 HydrophobicContact CE2-CZ 4.29Å |
| 76 | N | 94.3 | Very high | 87.3 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -28.9 | 179.4 | -71.7 | -25.9 | 0 | 0 | 0 | 113 | P33 F37 I38 S72 K73 | P33-N76 HydrophobicContact CB-CB 3.77Å; P33-N76 HydrophobicContact CG-CB 3.51Å; F37-N76 PolarHBondContact N-OD1 3.36Å; I38-N76 PolarHBondContact N-OD1 3.06Å; I38-N76 PolarHBondContact O-ND2 3.37Å; S72-N76 WeakPolarHBondContact O-CB 3.13Å; S72-N76 VanDerWaalsContact O-CG 3.26Å; S72-N76 PolarHBondContact O-N 2.67Å; S72-N76 PolarHBondContact O-ND2 2.96Å; K73-N76 PolarHBondContact O-N 3.39Å |
| 77 | L | 95.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.2 | -37.5 | 178.7 | -71.4 | 169.3 | 0 | 0 | 0 | 113.7 | L29 I31 P33 K73 V74 F75 L310 | L29-L77 HydrophobicContact CD1-CD1 3.63Å; I31-L77 HydrophobicContact CG2-CD1 3.87Å; I31-L77 HydrophobicContact CG2-CD2 3.64Å; I31-L77 HydrophobicContact CG2-CG 4.44Å; P33-L77 HydrophobicContact CB-CD2 4.18Å; P33-L77 HydrophobicContact CG-CD2 3.99Å; P33-L77 HydrophobicContact CG-CG 4.14Å; K73-L77 HydrophobicContact CG-CD1 3.92Å; K73-L77 WeakPolarHBondContact O-CB 3.27Å; K73-L77 VanDerWaalsContact O-CG 3.29Å; K73-L77 WeakPolarHBondContact O-CG 3.32Å; K73-L77 PolarHBondContact O-N 3.16Å; V74-L77 PolarHBondContact O-N 2.81Å; F75-L77 PolarHBondContact O-N 2.87Å; L77-L310 HydrophobicContact CD1-CD2 4.3Å |
| 78 | C | 96.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -111.3 | -18.9 | -168.9 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | V74 F75 C288 F291 Q292 | V74-C78 WeakPolarHBondContact O-CB 3.14Å; V74-C78 PolarHBondContact O-N 3.28Å; F75-C78 PolarHBondContact O-N 2.9Å; C78-C288 HydrophobicContact CB-CB 3.94Å; C78-C288 WeakPolarHBondContact CB-SG 3.46Å; C78-C288 WeakPolarHBondContact SG-CB 3.3Å; C78-C288 CovalentContact SG-SG 2.04Å; C78-C288 PolarHBondContact SG-SG 3.35Å; C78-F291 HydrophobicContact CB-CB 4.07Å; C78-F291 HydrophobicContact CB-CD2 4.27Å; C78-F291 VanDerWaalsContact O-CB 3.27Å; C78-F291 WeakPolarHBondContact O-CB 3.25Å; C78-Q292 PolarHBondContact O-NE2 2.84Å |
| 79 | A | 95.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | trans | -75.6 | 136.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F37 F75 N81 A84 F291 | F37-A79 WeakPolarHBondContact CE2-O 3.3Å; F75-A79 HydrophobicContact CD1-CB 4Å; F75-A79 HydrophobicContact CD2-CB 3.85Å; F75-A79 HydrophobicContact CE1-CB 3.83Å; F75-A79 HydrophobicContact CE2-CB 3.71Å; F75-A79 HydrophobicContact CG-CB 4.02Å; F75-A79 HydrophobicContact CZ-CB 3.7Å; F75-A79 WeakPolarHBondContact O-CA 3.42Å; F75-A79 WeakPolarHBondContact O-CB 3.19Å; F75-A79 PolarHBondContact O-N 3.3Å; A79-N81 VanDerWaalsContact C-N 3.33Å; A79-A84 HydrophobicContact CB-CB 3.83Å; A79-F291 HydrophobicContact CB-CD1 4.3Å | ||
| 80 | K | 92 | Very high | 92.9 | Very high | 147 Ų | 147 | 43.2 Ų | 43.2 | 64% | 0.639 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -72.7 | -25.8 | 176.1 | -66.1 | -173.9 | 178.6 | -177.3 | 0 | 113.1 | ||
| 81 | N | 93.5 | Very high | 93.3 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -158.2 | 169.7 | 179.9 | 65.3 | 66.4 | 0 | 0 | 0 | 111.1 | A79 D83 A84 | A79-N81 VanDerWaalsContact C-N 3.33Å; N81-D83 PolarHBondContact O-N 2.91Å; N81-D83 VanDerWaalsContact OD1-C 3.31Å; N81-D83 WeakPolarHBondContact OD1-CA 3.33Å; N81-D83 PolarHBondContact OD1-N 3.31Å; N81-A84 WeakPolarHBondContact O-CB 3.44Å; N81-A84 PolarHBondContact O-N 2.91Å; N81-A84 PolarHBondContact OD1-N 3.3Å |
| 82 | K | 91.6 | Very high | 93.6 | Very high | 124 Ų | 124 | 47.7 Ų | 47.7 | 54% | 0.539 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.7 | -178.6 | 72.2 | -173.7 | -178.8 | -174.9 | 0 | 115.3 | F37 | F37-K82 HydrophobicContact CB-CB 3.95Å; F37-K82 HydrophobicContact CD1-CB 3.69Å; F37-K82 HydrophobicContact CE1-CB 4.48Å; F37-K82 HydrophobicContact CG-CB 3.99Å |
| 83 | D | 93 | Very high | 93.8 | Very high | 78 Ų | 78 | 52.3 Ų | 52.3 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9.7 | -176.6 | -56.9 | -59.3 | 0 | 0 | 0 | 111.3 | R50 N81 I85 | R50-D83 IonicContact CZ-OD1 2.83Å; R50-D83 VanDerWaalsContact CZ-OD1 3.24Å; R50-D83 IonicContact NH1-OD1 3.21Å; R50-D83 PolarHBondContact NH1-OD1 2.79Å; R50-D83 IonicContact NH2-OD1 3.87Å; R50-D83 PolarHBondContact NH2-OD1 3.3Å; R50-D83 VanDerWaalsContact NH2-OD1 3.15Å; N81-D83 PolarHBondContact O-N 2.91Å; N81-D83 VanDerWaalsContact OD1-C 3.31Å; N81-D83 WeakPolarHBondContact OD1-CA 3.33Å; N81-D83 PolarHBondContact OD1-N 3.31Å; D83-I85 PolarHBondContact O-N 3.49Å |
| 84 | A | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 129.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W51 F75 A79 N81 F291 | W51-A84 PolarHBondContact NE1-O 2.66Å; F75-A84 HydrophobicContact CE2-CB 4.15Å; F75-A84 HydrophobicContact CZ-CB 4.2Å; A79-A84 HydrophobicContact CB-CB 3.83Å; N81-A84 WeakPolarHBondContact O-CB 3.44Å; N81-A84 PolarHBondContact O-N 2.91Å; N81-A84 PolarHBondContact OD1-N 3.3Å; A84-F291 HydrophobicContact CB-CD1 4.34Å |
| 85 | I | 94.8 | Very high | 94.3 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 127.8 | 175.1 | -58.3 | 177.7 | 0 | 0 | 0 | 107.5 | P52 D83 | P52-I85 HydrophobicContact CG-CG2 4.22Å; D83-I85 PolarHBondContact O-N 3.49Å |
| 86 | P | 94.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 134.8 | 177.2 | 22.3 | -28.8 | 0 | 0 | 0 | 111.1 | W51 I55 M290 F291 | W51-P86 HydrophobicContact CB-CG 4.39Å; W51-P86 VanDerWaalsContact CD1-CD 3.41Å; W51-P86 HydrophobicContact CD2-CG 3.55Å; W51-P86 HydrophobicContact CE3-CG 3.86Å; W51-P86 HydrophobicContact CG-CG 3.8Å; W51-P86 HydrophobicContact CZ2-CG 4.32Å; W51-P86 HydrophobicContact CZ3-CG 4.34Å; I55-P86 HydrophobicContact CB-CG 4.31Å; I55-P86 HydrophobicContact CD1-CB 4.34Å; I55-P86 HydrophobicContact CD1-CG 4.35Å; I55-P86 HydrophobicContact CG1-CG 4Å; I55-P86 HydrophobicContact CG2-CB 4.39Å; I55-P86 HydrophobicContact CG2-CG 3.71Å; P86-M290 WeakPolarHBondContact CA-O 3.45Å; P86-M290 HydrophobicContact CB-CB 3.73Å; P86-M290 HydrophobicContact CB-SD 4.08Å; P86-F291 HydrophobicContact CB-CD1 4.42Å; P86-F291 HydrophobicContact CB-CE1 3.71Å; P86-F291 HydrophobicContact CB-CZ 3.84Å; P86-F291 HydrophobicContact CG-CE1 4.18Å; P86-F291 HydrophobicContact CG-CZ 4.33Å |
| 87 | I | 94.4 | Very high | 94.5 | Very high | 127 Ų | 127 | 58.5 Ų | 58.5 | 65% | 0.651 | 30% | 0.302 | S | S | * | . | trans | -118.8 | 122.2 | 179.2 | -58.2 | 174.7 | 0 | 0 | 0 | 108.4 | I89 M290 | I87-I89 PolarHBondContact O-N 3.48Å; I87-M290 PolarHBondContact N-O 3.41Å; I87-M290 VanDerWaalsContact O-CA 3.25Å; I87-M290 WeakPolarHBondContact O-CA 3.42Å | ||
| 88 | L | 94.1 | Very high | 94.6 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | trans | -71.1 | 126.9 | 176 | -64.4 | 169.2 | 0 | 0 | 0 | 110 | I55 K58 E90 N91 M290 | I55-L88 HydrophobicContact CD1-CD1 4.04Å; I55-L88 HydrophobicContact CD1-CD2 3.86Å; I55-L88 HydrophobicContact CD1-CG 3.71Å; K58-L88 HydrophobicContact CD-CD1 4.1Å; K58-L88 HydrophobicContact CD-CD2 3.82Å; K58-L88 VanDerWaalsContact CE-CD1 3.44Å; L88-E90 PolarHBondContact O-N 3.3Å; L88-N91 HydrophobicContact CB-CB 4.21Å; L88-N91 HydrophobicContact CD1-CB 4.1Å; L88-N91 WeakPolarHBondContact CD1-OD1 3.48Å; L88-M290 HydrophobicContact CD2-CE 3.5Å; L88-M290 VanDerWaalsContact CD2-CE 3.5Å; L88-M290 HydrophobicContact CD2-CG 4.33Å; L88-M290 HydrophobicContact CD2-SD 3.81Å | ||
| 89 | I | 94.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.4 | -35 | 171.2 | -70.6 | 171.1 | 0 | 0 | 0 | 110.7 | I87 R184 I187 P294 Y301 | I87-I89 PolarHBondContact O-N 3.48Å; I89-R184 HydrophobicContact CG2-CB 4.47Å; I89-R184 HydrophobicContact CG2-CG 3.77Å; I89-R184 PolarHBondContact O-NE 3.07Å; I89-I187 HydrophobicContact CB-CG2 4.45Å; I89-I187 HydrophobicContact CD1-CD1 4.42Å; I89-I187 HydrophobicContact CD1-CG1 3.91Å; I89-I187 HydrophobicContact CD1-CG2 4.45Å; I89-P294 HydrophobicContact CD1-CB 4.17Å; I89-P294 HydrophobicContact CG1-CB 4.35Å; I89-P294 HydrophobicContact CG1-CG 4.37Å; I89-Y301 HydrophobicContact CD1-CE1 3.64Å; I89-Y301 WeakPolarHBondContact CD1-OH 3.43Å |
| 90 | E | 93.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | trans | -138 | 120 | 177.5 | -175.5 | 46.7 | -107.7 | 0 | 0 | 110.6 | L88 S92 R173 F175 R184 | L88-E90 PolarHBondContact O-N 3.3Å; E90-S92 WeakPolarHBondContact OE1-CA 3.46Å; E90-S92 WeakPolarHBondContact OE1-CB 3.3Å; E90-S92 PolarHBondContact OE1-N 3.1Å; E90-S92 PolarHBondContact OE1-OG 3.4Å; E90-R173 HydrophobicContact CG-CG 3.68Å; E90-R173 PolarHBondContact O-NH2 2.84Å; E90-F175 HydrophobicContact CG-CD1 4.08Å; E90-F175 WeakPolarHBondContact OE2-CB 3.34Å; E90-R184 IonicContact OE2-NE 3.24Å | ||
| 91 | N | 91.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | trans | -118.7 | 2.7 | -176.3 | -170.5 | 48.9 | 0 | 0 | 0 | 113.5 | L88 | L88-N91 HydrophobicContact CB-CB 4.21Å; L88-N91 HydrophobicContact CD1-CB 4.1Å; L88-N91 WeakPolarHBondContact CD1-OD1 3.48Å | ||
| 92 | S | 94 | Very high | 94.4 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -66.4 | 177 | 170.9 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | E90 R173 A174 | E90-S92 WeakPolarHBondContact OE1-CA 3.46Å; E90-S92 WeakPolarHBondContact OE1-CB 3.3Å; E90-S92 PolarHBondContact OE1-N 3.1Å; E90-S92 PolarHBondContact OE1-OG 3.4Å; S92-R173 PolarHBondContact O-NH1 2.96Å; S92-R173 PolarHBondContact O-NH2 2.86Å; S92-A174 WeakPolarHBondContact CB-O 3.26Å; S92-A174 PolarHBondContact OG-N 3.44Å; S92-A174 PolarHBondContact OG-O 2.9Å |
| 93 | D | 94.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 68% | 0.684 | 30% | 0.301 | S | S | * | . | trans | -91.2 | 162.5 | 176.6 | -72.5 | -41.9 | 0 | 0 | 0 | 112 | A174 | D93-A174 WeakPolarHBondContact O-CB 3.05Å; D93-A174 PolarHBondContact O-N 3.42Å | ||
| 94 | F | 96.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 61 Ų | 61 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121.7 | 164.6 | -74.5 | -87.4 | 0 | 0 | 0 | 108.1 | V171 Q172 R173 T188 E191 W192 | F94-V171 HydrophobicContact CD1-CG1 3.87Å; F94-V171 HydrophobicContact CE1-CG1 3.79Å; F94-Q172 CarbonylContact C-O 3.56Å; F94-Q172 WeakPolarHBondContact CA-O 3.21Å; F94-R173 VanDerWaalsContact N-NH1 3.18Å; F94-T188 HydrophobicContact CE1-CG2 3.55Å; F94-T188 HydrophobicContact CZ-CG2 4.03Å; F94-E191 HydrophobicContact CE2-CG 4.34Å; F94-E191 HydrophobicContact CZ-CG 4.3Å; F94-W192 HydrophobicContact CE1-CB 4.24Å; F94-W192 AromaticContact CE1-CD1 3.9Å; F94-W192 HydrophobicContact CZ-CB 4.15Å |
| 95 | I | 97.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -49.1 | 170.8 | -58.6 | -58.9 | 0 | 0 | 0 | 108.9 | L150 Q172 A174 | I95-L150 HydrophobicContact CG1-CD2 4.11Å; I95-Q172 HydrophobicContact CB-CB 4.25Å; I95-Q172 HydrophobicContact CB-CG 4.38Å; I95-Q172 PolarHBondContact N-O 2.99Å; I95-A174 HydrophobicContact CD1-CB 3.9Å; I95-A174 HydrophobicContact CG1-CB 3.99Å |
| 96 | F | 97.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 108.8 | 170.8 | -50.8 | -50 | 0 | 0 | 0 | 108.4 | I160 E161 E164 V170 V171 Q172 | F96-I160 HydrophobicContact CE2-CG2 3.97Å; F96-E161 HydrophobicContact CZ-CB 4.48Å; F96-E161 HydrophobicContact CZ-CG 3.86Å; F96-E164 HydrophobicContact CB-CG 4.37Å; F96-E164 HydrophobicContact CD1-CG 3.78Å; F96-E164 HydrophobicContact CD2-CB 4.19Å; F96-E164 HydrophobicContact CD2-CG 3.94Å; F96-E164 HydrophobicContact CE1-CG 4.02Å; F96-E164 HydrophobicContact CE2-CB 4.08Å; F96-E164 HydrophobicContact CE2-CG 4.19Å; F96-E164 HydrophobicContact CG-CB 4.49Å; F96-E164 HydrophobicContact CG-CG 3.75Å; F96-E164 HydrophobicContact CZ-CB 4.25Å; F96-E164 HydrophobicContact CZ-CG 4.21Å; F96-V170 VanDerWaalsContact CB-O 3.27Å; F96-V170 WeakPolarHBondContact CB-O 3.41Å; F96-V170 HydrophobicContact CD2-CB 4.44Å; F96-V170 HydrophobicContact CD2-CG1 4.04Å; F96-V171 WeakPolarHBondContact O-CA 3.39Å; F96-Q172 HydrophobicContact CB-CB 4.35Å; F96-Q172 HydrophobicContact CD2-CB 3.61Å; F96-Q172 HydrophobicContact CE2-CB 4.31Å; F96-Q172 VanDerWaalsContact CE2-OE1 3.31Å; F96-Q172 HydrophobicContact CG-CB 4.33Å; F96-Q172 PolarHBondContact N-O 2.89Å; F96-Q172 PolarHBondContact O-N 3.5Å |
| 97 | S | 95.9 | Very high | 93.3 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | trans | -93.2 | -15.3 | -171.8 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | S99 W192 | S97-S99 PolarHBondContact O-N 3.4Å; S97-W192 PolarHBondContact O-NE1 2.84Å | ||
| 98 | Q | 96.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | trans | 44.7 | 31.7 | -175.5 | -59.1 | -51.6 | -29.7 | 0 | 0 | 115.3 | T100 Y101 L145 E164 G168 V170 V171 W192 | Q98-T100 PolarHBondContact O-N 3.08Å; Q98-Y101 VanDerWaalsContact O-CB 3.25Å; Q98-Y101 WeakPolarHBondContact O-CB 3.4Å; Q98-Y101 PolarHBondContact O-N 3.03Å; Q98-L145 HydrophobicContact CB-CD1 4.44Å; Q98-L145 HydrophobicContact CB-CD2 4.37Å; Q98-L145 HydrophobicContact CG-CD2 3.97Å; Q98-E164 PolarHBondContact NE2-OE1 2.85Å; Q98-E164 PolarHBondContact NE2-OE2 3.13Å; Q98-G168 PolarHBondContact OE1-O 3.25Å; Q98-V170 WeakPolarHBondContact CG-O 3.33Å; Q98-V170 PolarHBondContact NE2-O 3.47Å; Q98-V171 HydrophobicContact CB-CG2 3.86Å; Q98-V171 HydrophobicContact CG-CG2 3.58Å; Q98-W192 HydrophobicContact CB-CZ2 3.93Å | ||
| 99 | S | 93.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 64 Ų | 64 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20 | -172.3 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S97 Y197 | S97-S99 PolarHBondContact O-N 3.4Å; S99-Y197 VanDerWaalsContact CB-CZ 3.47Å; S99-Y197 WeakPolarHBondContact O-CD1 3.38Å |
| 100 | T | 93.7 | Very high | 93.6 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.8 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | Q98 C102 Y103 K104 | Q98-T100 PolarHBondContact O-N 3.08Å; T100-C102 PolarHBondContact O-N 3.06Å; T100-Y103 PolarHBondContact O-N 3.02Å; T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.41Å; T100-K104 WeakPolarHBondContact OG1-CE 3.46Å; T100-K104 PolarHBondContact OG1-NZ 3.38Å |
| 101 | Y | 94.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 8% | 0.078 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.8 | -54.6 | -172 | -176.1 | -88.2 | 0 | 0 | 0 | 112.2 | Q98 Y103 K104 Q105 L108 L111 I144 L145 | Q98-Y101 VanDerWaalsContact O-CB 3.25Å; Q98-Y101 WeakPolarHBondContact O-CB 3.4Å; Q98-Y101 PolarHBondContact O-N 3.03Å; Y101-Y103 VanDerWaalsContact C-N 3.33Å; Y101-Y103 PolarHBondContact O-N 3.41Å; Y101-K104 PolarHBondContact O-N 2.91Å; Y101-Q105 HydrophobicContact CD1-CG 4.36Å; Y101-Q105 HydrophobicContact CE1-CG 4.16Å; Y101-Q105 VanDerWaalsContact O-CG 3.27Å; Y101-Q105 WeakPolarHBondContact O-CG 3.38Å; Y101-Q105 PolarHBondContact O-N 3.39Å; Y101-L108 HydrophobicContact CE1-CD2 4.45Å; Y101-L111 HydrophobicContact CE1-CD1 4.4Å; Y101-I144 PolarHBondContact OH-N 2.91Å; Y101-I144 PolarHBondContact OH-O 3.45Å; Y101-L145 HydrophobicContact CD1-CD1 4.07Å; Y101-L145 HydrophobicContact CD1-CD2 4.34Å; Y101-L145 HydrophobicContact CD1-CG 4.26Å; Y101-L145 HydrophobicContact CD2-CD2 3.54Å; Y101-L145 HydrophobicContact CD2-CG 4.32Å; Y101-L145 HydrophobicContact CE1-CD1 4.34Å; Y101-L145 HydrophobicContact CE1-CD2 4.29Å; Y101-L145 HydrophobicContact CE1-CG 4.09Å; Y101-L145 HydrophobicContact CE2-CD2 3.44Å; Y101-L145 VanDerWaalsContact CE2-CD2 3.44Å; Y101-L145 HydrophobicContact CE2-CG 4.12Å; Y101-L145 HydrophobicContact CG-CD1 4.2Å; Y101-L145 HydrophobicContact CG-CD2 3.99Å; Y101-L145 HydrophobicContact CG-CG 4.37Å |
| 102 | C | 92.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.1 | -27 | 179.5 | -75.9 | 0 | 0 | 0 | 0 | 113.7 | T100 Q105 L108 Y197 C198 | T100-C102 PolarHBondContact O-N 3.06Å; C102-Q105 CarbonylContact O-C 3.34Å; C102-Q105 PolarHBondContact O-N 3.06Å; C102-L108 VanDerWaalsContact SG-CD2 3.57Å; C102-Y197 WeakPolarHBondContact CB-O 3.32Å; C102-C198 HydrophobicContact CB-CB 3.8Å; C102-C198 WeakPolarHBondContact CB-SG 3.28Å; C102-C198 WeakPolarHBondContact SG-CB 2.9Å; C102-C198 CovalentContact SG-SG 2.01Å; C102-C198 PolarHBondContact SG-SG 3.2Å |
| 103 | Y | 89.2 | Confident | 94.3 | Very high | 192 Ų | 192 | 55.7 Ų | 55.7 | 75% | 0.753 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 172.7 | 177.9 | -98.1 | 0 | 0 | 0 | 111.5 | T100 Y101 Q105 | T100-Y103 PolarHBondContact O-N 3.02Å; Y101-Y103 VanDerWaalsContact C-N 3.33Å; Y101-Y103 PolarHBondContact O-N 3.41Å; Y103-Q105 VanDerWaalsContact C-N 3.27Å; Y103-Q105 PolarHBondContact O-N 3.16Å |
| 104 | K | 91 | Very high | 94.5 | Very high | 150 Ų | 150 | 49.6 Ų | 49.6 | 65% | 0.652 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -68.7 | -27.8 | 173.9 | -67 | 172.7 | -179 | 175.5 | 0 | 112.1 | T100 Y101 T106 | T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.41Å; T100-K104 WeakPolarHBondContact OG1-CE 3.46Å; T100-K104 PolarHBondContact OG1-NZ 3.38Å; Y101-K104 PolarHBondContact O-N 2.91Å; K104-T106 PolarHBondContact O-N 2.93Å |
| 105 | Q | 87.8 | Confident | 94.6 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -100.6 | 70.4 | -178.3 | -59 | -69.2 | 9.9 | 0 | 0 | 112 | Y101 C102 Y103 N107 L108 | Y101-Q105 HydrophobicContact CD1-CG 4.36Å; Y101-Q105 HydrophobicContact CE1-CG 4.16Å; Y101-Q105 VanDerWaalsContact O-CG 3.27Å; Y101-Q105 WeakPolarHBondContact O-CG 3.38Å; Y101-Q105 PolarHBondContact O-N 3.39Å; C102-Q105 CarbonylContact O-C 3.34Å; C102-Q105 PolarHBondContact O-N 3.06Å; Y103-Q105 VanDerWaalsContact C-N 3.27Å; Y103-Q105 PolarHBondContact O-N 3.16Å; Q105-N107 PolarHBondContact O-N 3.35Å; Q105-L108 HydrophobicContact CB-CB 4.4Å; Q105-L108 WeakPolarHBondContact O-CB 3.49Å; Q105-L108 PolarHBondContact O-N 3.5Å |
| 106 | T | 86.2 | Confident | 94.6 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 142.6 | 177 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | K104 L108 K141 | K104-T106 PolarHBondContact O-N 2.93Å; T106-L108 PolarHBondContact O-N 3.07Å; T106-K141 VanDerWaalsContact O-CD 3.24Å; T106-K141 WeakPolarHBondContact O-CD 3.34Å; T106-K141 PolarHBondContact O-NZ 3.36Å |
| 107 | N | 90.1 | Very high | 94.5 | Very high | 148 Ų | 148 | 45.5 Ų | 45.5 | 79% | 0.791 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.1 | -179.5 | -55.9 | -35.3 | 0 | 0 | 0 | 115 | Q105 W109 | Q105-N107 PolarHBondContact O-N 3.35Å; N107-W109 PolarHBondContact O-N 3.38Å |
| 108 | L | 95.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 129.3 | 170.1 | -176.8 | 63.6 | 0 | 0 | 0 | 110.4 | Y101 C102 Q105 T106 I110 K141 V201 | Y101-L108 HydrophobicContact CE1-CD2 4.45Å; C102-L108 VanDerWaalsContact SG-CD2 3.57Å; Q105-L108 HydrophobicContact CB-CB 4.4Å; Q105-L108 WeakPolarHBondContact O-CB 3.49Å; Q105-L108 PolarHBondContact O-N 3.5Å; T106-L108 PolarHBondContact O-N 3.07Å; L108-I110 VanDerWaalsContact CD1-O 3.31Å; L108-I110 WeakPolarHBondContact CD1-O 3.4Å; L108-K141 HydrophobicContact CD1-CG 4.32Å; L108-V201 HydrophobicContact CB-CG2 3.89Å; L108-V201 HydrophobicContact CD2-CG2 3.79Å; L108-V201 HydrophobicContact CG-CG1 4.32Å; L108-V201 HydrophobicContact CG-CG2 3.79Å |
| 109 | W | 96.7 | Very high | 94.5 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -36.2 | -173.9 | -173.2 | 63.4 | 0 | 0 | 0 | 113 | N107 R140 K141 V201 P202 F203 T219 L222 E223 H226 | N107-W109 PolarHBondContact O-N 3.38Å; W109-R140 HydrophobicContact CD2-CB 4.14Å; W109-R140 HydrophobicContact CD2-CG 4.06Å; W109-R140 HydrophobicContact CE3-CB 3.45Å; W109-R140 VanDerWaalsContact CE3-CB 3.45Å; W109-R140 HydrophobicContact CE3-CG 3.57Å; W109-R140 HydrophobicContact CH2-CG 4.08Å; W109-R140 HydrophobicContact CZ3-CB 3.8Å; W109-R140 HydrophobicContact CZ3-CG 3.57Å; W109-K141 WeakPolarHBondContact CB-O 3.21Å; W109-K141 PolarHBondContact N-O 3.5Å; W109-V201 WeakPolarHBondContact O-CG1 3.48Å; W109-P202 HydrophobicContact CG-CG 4.21Å; W109-P202 WeakPolarHBondContact O-CD 3.29Å; W109-P202 WeakPolarHBondContact O-CG 3.38Å; W109-F203 HydrophobicContact CD2-CD2 4.49Å; W109-F203 AromaticContact CE2-CE2 3.94Å; W109-F203 HydrophobicContact CH2-CE2 4.5Å; W109-F203 HydrophobicContact CZ2-CD2 4.24Å; W109-F203 AromaticContact CZ2-CE2 3.8Å; W109-F203 HydrophobicContact CZ2-CE2 3.8Å; W109-T219 HydrophobicContact CZ3-CG2 3.98Å; W109-L222 HydrophobicContact CH2-CB 3.4Å; W109-L222 HydrophobicContact CZ2-CB 4.1Å; W109-L222 HydrophobicContact CZ3-CB 3.93Å; W109-E223 HydrophobicContact CH2-CB 4.37Å; W109-E223 HydrophobicContact CH2-CG 3.51Å; W109-E223 HydrophobicContact CZ2-CG 4.12Å; W109-E223 HydrophobicContact CZ3-CG 4.23Å; W109-H226 AromaticContact NE1-ND1 3.88Å |
| 110 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.8 | 173 | -62.3 | 160.5 | 0 | 0 | 0 | 108.1 | L108 I112 K141 I142 G143 F203 V205 L218 L222 | L108-I110 VanDerWaalsContact CD1-O 3.31Å; L108-I110 WeakPolarHBondContact CD1-O 3.4Å; I110-I112 HydrophobicContact CG2-CG1 3.86Å; I110-K141 PolarHBondContact N-O 2.99Å; I110-I142 HydrophobicContact CB-CG1 4.41Å; I110-I142 HydrophobicContact CB-CG2 4.31Å; I110-I142 HydrophobicContact CD1-CD1 4.36Å; I110-I142 HydrophobicContact CD1-CG1 4.2Å; I110-I142 HydrophobicContact CG2-CG2 4.39Å; I110-G143 PolarHBondContact O-N 3.48Å; I110-F203 HydrophobicContact CG1-CB 4.26Å; I110-F203 HydrophobicContact CG1-CD2 4.48Å; I110-V205 HydrophobicContact CG2-CB 4.41Å; I110-V205 HydrophobicContact CG2-CG2 3.74Å; I110-L218 HydrophobicContact CD1-CD2 4.35Å; I110-L218 HydrophobicContact CD1-CG 4.36Å; I110-L222 HydrophobicContact CD1-CD1 3.54Å; I110-L222 HydrophobicContact CG1-CD1 3.77Å |
| 111 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.1 | 162.2 | 179.4 | 65 | 0 | 0 | 0 | 108.5 | Y101 L145 W192 I193 V201 F203 L204 V205 M279 | Y101-L111 HydrophobicContact CE1-CD1 4.4Å; L111-L145 HydrophobicContact CD1-CD1 4.07Å; L111-L145 HydrophobicContact CD1-CG 4.18Å; L111-W192 HydrophobicContact CD2-CE3 4.37Å; L111-W192 HydrophobicContact CD2-CH2 4.34Å; L111-W192 HydrophobicContact CD2-CZ3 3.59Å; L111-I193 HydrophobicContact CD2-CG1 4.45Å; L111-V201 HydrophobicContact CB-CG1 4.19Å; L111-F203 PolarHBondContact N-O 2.82Å; L111-L204 HydrophobicContact CD2-CD1 4.42Å; L111-L204 HydrophobicContact CG-CD1 4.42Å; L111-L204 WeakPolarHBondContact O-CA 3.34Å; L111-V205 PolarHBondContact O-N 3.14Å; L111-M279 HydrophobicContact CB-SD 4.4Å; L111-M279 HydrophobicContact CD2-SD 4.38Å |
| 112 | I | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.4 | 169.8 | -45.8 | -175.8 | 0 | 0 | 0 | 108.1 | I110 V114 W131 I142 G143 I144 L145 V205 V207 I215 L218 | I110-I112 HydrophobicContact CG2-CG1 3.86Å; I112-V114 HydrophobicContact CG2-CG2 4.2Å; I112-W131 HydrophobicContact CD1-CZ3 4.11Å; I112-I142 HydrophobicContact CD1-CG2 3.79Å; I112-I142 HydrophobicContact CG1-CG2 4Å; I112-G143 PolarHBondContact N-O 2.86Å; I112-I144 HydrophobicContact CB-CD1 4.42Å; I112-I144 HydrophobicContact CB-CG1 3.95Å; I112-I144 HydrophobicContact CD1-CD1 4.02Å; I112-I144 HydrophobicContact CD1-CG1 4.16Å; I112-I144 HydrophobicContact CG1-CG1 4.23Å; I112-I144 WeakPolarHBondContact O-CA 3.38Å; I112-L145 PolarHBondContact O-N 2.93Å; I112-V205 CarbonylContact C-O 3.57Å; I112-V205 WeakPolarHBondContact CA-O 3.44Å; I112-V205 HydrophobicContact CG1-CB 4.2Å; I112-V205 HydrophobicContact CG2-CB 4.34Å; I112-V205 HydrophobicContact CG2-CG1 4.32Å; I112-V207 HydrophobicContact CG2-CG2 3.85Å; I112-I215 HydrophobicContact CD1-CD1 3.61Å; I112-L218 HydrophobicContact CD1-CD2 4.39Å |
| 113 | A | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.6 | 173 | 0 | 0 | 0 | 0 | 0 | 108.9 | F147 I189 L204 V205 K206 V207 | A113-F147 HydrophobicContact CB-CD2 3.81Å; A113-F147 HydrophobicContact CB-CE2 3.55Å; A113-F147 HydrophobicContact CB-CZ 4.45Å; A113-I189 HydrophobicContact CB-CD1 3.75Å; A113-I189 HydrophobicContact CB-CG1 4.2Å; A113-I189 HydrophobicContact CB-CG2 3.92Å; A113-L204 HydrophobicContact CB-CD1 3.8Å; A113-V205 PolarHBondContact N-O 3.2Å; A113-K206 WeakPolarHBondContact O-CA 3.17Å; A113-V207 PolarHBondContact O-N 2.65Å |
| 114 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | I112 T116 I127 W131 I144 L145 F146 F147 V207 D209 | I112-V114 HydrophobicContact CG2-CG2 4.2Å; V114-T116 PolarHBondContact O-N 2.96Å; V114-I127 HydrophobicContact CG1-CD1 4.06Å; V114-W131 HydrophobicContact CG2-CH2 4.29Å; V114-I144 HydrophobicContact CG2-CG2 3.71Å; V114-L145 PolarHBondContact N-O 3.26Å; V114-F146 HydrophobicContact CB-CD1 3.66Å; V114-F146 HydrophobicContact CB-CE1 3.98Å; V114-F146 HydrophobicContact CG1-CD1 3.8Å; V114-F146 HydrophobicContact CG1-CE1 3.94Å; V114-F146 HydrophobicContact CG2-CD1 4.23Å; V114-F146 HydrophobicContact CG2-CE1 4.1Å; V114-F147 PolarHBondContact O-N 3.33Å; V114-V207 CarbonylContact C-O 3.53Å; V114-V207 WeakPolarHBondContact CA-O 3.34Å; V114-V207 HydrophobicContact CB-CG2 4.44Å; V114-V207 HydrophobicContact CG1-CG2 4.48Å; V114-V207 HydrophobicContact CG2-CG2 3.87Å; V114-D209 HydrophobicContact CG1-CB 3.91Å |
| 115 | H | 97.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126.5 | 165 | -85.1 | -170 | 0 | 0 | 0 | 109.3 | K185 I189 K206 V207 D208 D209 D298 | H115-K185 HydrophobicContact CB-CD 4.18Å; H115-I189 VanDerWaalsContact CD2-CD1 3.43Å; H115-I189 WeakPolarHBondContact CD2-CD1 3.43Å; H115-I189 WeakPolarHBondContact NE2-CD1 3.4Å; H115-K206 WeakPolarHBondContact ND1-CE 3.48Å; H115-V207 PolarHBondContact N-O 3Å; H115-D208 WeakPolarHBondContact CB-OD1 3.33Å; H115-D208 IonicContact ND1-OD1 2.75Å; H115-D209 WeakPolarHBondContact O-CB 3.46Å; H115-D209 PolarHBondContact O-N 3.1Å; H115-D298 IonicContact CE1-OD2 2.67Å; H115-D298 PolarHBondContact CE1-OD2 3.02Å; H115-D298 IonicContact ND1-OD2 2.96Å |
| 116 | T | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | trans | -142.3 | 174.3 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | V114 R124 F146 F147 M148 K185 D209 | V114-T116 PolarHBondContact O-N 2.96Å; T116-R124 HydrophobicContact CG2-CG 4.36Å; T116-R124 PolarHBondContact OG1-NH1 2.88Å; T116-F146 HydrophobicContact CG2-CB 4.01Å; T116-F146 HydrophobicContact CG2-CD1 4.38Å; T116-F147 PolarHBondContact N-O 3.23Å; T116-F147 VanDerWaalsContact N-O 3.12Å; T116-M148 HydrophobicContact CG2-CB 4.17Å; T116-M148 HydrophobicContact CG2-CE 3.4Å; T116-M148 VanDerWaalsContact CG2-CE 3.4Å; T116-K185 PolarHBondContact O-NZ 2.94Å; T116-D209 WeakPolarHBondContact CA-OD2 3.49Å; T116-D209 VanDerWaalsContact CB-OD2 3.24Å; T116-D209 WeakPolarHBondContact CB-OD2 3.17Å; T116-D209 PolarHBondContact OG1-OD2 3.29Å | ||
| 117 | H | 96.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 26% | 0.264 | 18% | 0.175 | S | C | . | . | trans | -114.3 | 146.6 | 174.2 | -169.6 | -78.7 | 0 | 0 | 0 | 109.1 | N119 H120 R124 E156 E177 | H117-N119 VanDerWaalsContact C-N 3.32Å; H117-N119 PolarHBondContact ND1-N 3.1Å; H117-N119 PolarHBondContact O-N 3.43Å; H117-H120 HydrophobicContact CB-CB 4.39Å; H117-H120 WeakPolarHBondContact O-CB 3.12Å; H117-H120 PolarHBondContact O-N 3.48Å; H117-R124 PolarHBondContact O-NH1 3.41Å; H117-E156 IonicContact CE1-OE1 3.72Å; H117-E177 WeakPolarHBondContact CD2-CG 3.47Å | ||
| 118 | P | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -47.2 | 177.8 | -30.5 | 37.5 | 0 | 0 | 0 | 113.5 | H120 R124 M148 G149 E156 I160 E177 | P118-H120 PolarHBondContact O-N 3.2Å; P118-R124 PolarHBondContact O-NH1 3.13Å; P118-R124 PolarHBondContact O-NH2 3.01Å; P118-M148 HydrophobicContact CB-SD 4.22Å; P118-M148 HydrophobicContact CG-CB 4.38Å; P118-M148 HydrophobicContact CG-CG 4.38Å; P118-M148 HydrophobicContact CG-SD 3.91Å; P118-G149 WeakPolarHBondContact CG-O 3.29Å; P118-E156 HydrophobicContact CB-CG 4.04Å; P118-E156 VanDerWaalsContact CB-OE1 3.29Å; P118-E156 WeakPolarHBondContact CB-OE1 3.3Å; P118-I160 HydrophobicContact CB-CD1 4.11Å; P118-I160 HydrophobicContact CB-CG1 4Å; P118-I160 WeakPolarHBondContact O-CD1 3.45Å; P118-E177 HydrophobicContact CG-CB 4.31Å |
| 119 | N | 95 | Very high | 96.4 | Very high | 110 Ų | 110 | 32.4 Ų | 32.4 | 59% | 0.588 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.8 | 172.1 | -155.1 | -3.4 | 0 | 0 | 0 | 117 | H117 R121 E156 | H117-N119 VanDerWaalsContact C-N 3.32Å; H117-N119 PolarHBondContact ND1-N 3.1Å; H117-N119 PolarHBondContact O-N 3.43Å; N119-R121 PolarHBondContact O-N 2.9Å; N119-E156 VanDerWaalsContact CA-CD 3.49Å; N119-E156 WeakPolarHBondContact CA-OE2 3.34Å; N119-E156 WeakPolarHBondContact CB-OE2 3.37Å; N119-E156 PolarHBondContact N-OE1 2.86Å; N119-E156 VanDerWaalsContact N-OE1 3.11Å; N119-E156 PolarHBondContact N-OE2 3.14Å; N119-E156 PolarHBondContact OD1-OE2 3.36Å |
| 120 | H | 95.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 31.9 Ų | 31.9 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | trans | -84.2 | 38.2 | -175.5 | -67.3 | 177 | 0 | 0 | 0 | 114.2 | H117 P118 Q122 K123 R124 D209 | H117-H120 HydrophobicContact CB-CB 4.39Å; H117-H120 WeakPolarHBondContact O-CB 3.12Å; H117-H120 PolarHBondContact O-N 3.48Å; P118-H120 PolarHBondContact O-N 3.2Å; H120-Q122 VanDerWaalsContact C-N 3.31Å; H120-Q122 PolarHBondContact O-N 3.5Å; H120-K123 HydrophobicContact CB-CB 4.25Å; H120-K123 HydrophobicContact CB-CD 4.11Å; H120-K123 HydrophobicContact CB-CG 4.44Å; H120-K123 PolarHBondContact O-N 2.88Å; H120-K123 VanDerWaalsContact O-N 3.13Å; H120-R124 VanDerWaalsContact C-NH1 3.31Å; H120-R124 PolarHBondContact O-N 3.35Å; H120-R124 VanDerWaalsContact O-N 3.1Å; H120-R124 PolarHBondContact O-NH1 2.89Å; H120-D209 WeakPolarHBondContact CB-OD2 3.34Å; H120-D209 IonicContact CE1-OD1 3.63Å; H120-D209 IonicContact CE1-OD2 3.64Å; H120-D209 IonicContact CG-OD2 3.19Å; H120-D209 IonicContact ND1-OD1 3.21Å; H120-D209 PolarHBondContact ND1-OD1 2.99Å; H120-D209 IonicContact ND1-OD2 2.76Å; H120-D209 PolarHBondContact ND1-OD2 2.59Å | ||
| 121 | R | 95.1 | Very high | 96 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 26% | 0.26 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55 | -45 | -179.4 | 175 | 60.1 | -168.1 | -174.9 | 0.6 | 112.7 | N119 K123 R124 D125 E163 Y167 | N119-R121 PolarHBondContact O-N 2.9Å; R121-K123 VanDerWaalsContact C-N 3.33Å; R121-K123 PolarHBondContact O-N 2.8Å; R121-R124 PolarHBondContact O-N 3.31Å; R121-D125 IonicContact CZ-OD1 2.92Å; R121-D125 IonicContact CZ-OD2 3.12Å; R121-D125 VanDerWaalsContact NE-CG 3.29Å; R121-D125 IonicContact NE-OD1 2.88Å; R121-D125 PolarHBondContact NE-OD1 2.87Å; R121-D125 IonicContact NE-OD2 3.52Å; R121-D125 PolarHBondContact NE-OD2 3.02Å; R121-D125 IonicContact NH1-OD1 3.37Å; R121-D125 PolarHBondContact NH1-OD1 3.03Å; R121-D125 VanDerWaalsContact NH2-CG 3.29Å; R121-D125 IonicContact NH2-OD1 3.07Å; R121-D125 PolarHBondContact NH2-OD1 3.19Å; R121-D125 IonicContact NH2-OD2 2.91Å; R121-D125 PolarHBondContact NH2-OD2 2.86Å; R121-D125 PolarHBondContact O-N 3.28Å; R121-E163 IonicContact CZ-OE1 3.8Å; R121-E163 VanDerWaalsContact NH1-CB 3.31Å; R121-E163 IonicContact NH1-OE1 2.81Å; R121-E163 PolarHBondContact NH1-OE1 3.48Å; R121-E163 IonicContact NH1-OE2 3.75Å; R121-Y167 PolarHBondContact NH2-OH 3.4Å |
| 122 | Q | 93.8 | Very high | 95.9 | Very high | 161 Ų | 161 | 31.9 Ų | 31.9 | 75% | 0.752 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61.6 | -38.4 | 179.2 | -68.1 | 180 | -0.9 | 0 | 0 | 112.6 | H120 D125 L126 | H120-Q122 VanDerWaalsContact C-N 3.31Å; H120-Q122 PolarHBondContact O-N 3.5Å; Q122-D125 PolarHBondContact O-N 3.43Å; Q122-L126 VanDerWaalsContact O-CB 3.26Å; Q122-L126 WeakPolarHBondContact O-CB 3.15Å; Q122-L126 PolarHBondContact O-N 3.4Å |
| 123 | K | 94.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 15% | 0.152 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 176.7 | -67.9 | -177.1 | 165.7 | -175.1 | 0 | 111.7 | H120 R121 D125 L126 I127 D209 Y349 | H120-K123 HydrophobicContact CB-CB 4.25Å; H120-K123 HydrophobicContact CB-CD 4.11Å; H120-K123 HydrophobicContact CB-CG 4.44Å; H120-K123 PolarHBondContact O-N 2.88Å; H120-K123 VanDerWaalsContact O-N 3.13Å; R121-K123 VanDerWaalsContact C-N 3.33Å; R121-K123 PolarHBondContact O-N 2.8Å; K123-D125 VanDerWaalsContact C-N 3.33Å; K123-D125 PolarHBondContact O-N 2.92Å; K123-L126 WeakPolarHBondContact O-CB 3.38Å; K123-L126 PolarHBondContact O-N 2.91Å; K123-I127 WeakPolarHBondContact O-CG1 3.49Å; K123-I127 PolarHBondContact O-N 2.8Å; K123-D209 HydrophobicContact CB-CB 4.34Å; K123-D209 HydrophobicContact CD-CB 4.26Å; K123-D209 WeakPolarHBondContact CD-OD1 3.48Å; K123-D209 IonicContact NZ-OD1 2.66Å; K123-D209 PolarHBondContact NZ-OD1 3.32Å; K123-Y349 HydrophobicContact CG-CD1 4.3Å; K123-Y349 HydrophobicContact CG-CE1 4.16Å |
| 124 | R | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 175 | -65.4 | -169.2 | -69.9 | -77.9 | 5.3 | 111.6 | T116 H117 P118 H120 R121 I127 R128 F146 E163 | T116-R124 HydrophobicContact CG2-CG 4.36Å; T116-R124 PolarHBondContact OG1-NH1 2.88Å; H117-R124 PolarHBondContact O-NH1 3.41Å; P118-R124 PolarHBondContact O-NH1 3.13Å; P118-R124 PolarHBondContact O-NH2 3.01Å; H120-R124 VanDerWaalsContact C-NH1 3.31Å; H120-R124 PolarHBondContact O-N 3.35Å; H120-R124 VanDerWaalsContact O-N 3.1Å; H120-R124 PolarHBondContact O-NH1 2.89Å; R121-R124 PolarHBondContact O-N 3.31Å; R124-I127 PolarHBondContact O-N 2.85Å; R124-R128 WeakPolarHBondContact O-CG 3.19Å; R124-R128 PolarHBondContact O-N 3.04Å; R124-F146 HydrophobicContact CB-CD1 4.31Å; R124-F146 HydrophobicContact CB-CE1 3.98Å; R124-F146 HydrophobicContact CB-CE2 4.45Å; R124-F146 HydrophobicContact CB-CZ 4.05Å; R124-F146 HydrophobicContact CG-CD1 3.65Å; R124-F146 HydrophobicContact CG-CE1 3.76Å; R124-F146 HydrophobicContact CG-CG 4.1Å; R124-F146 HydrophobicContact CG-CZ 4.29Å; R124-E163 IonicContact CZ-OE1 3.37Å; R124-E163 IonicContact CZ-OE2 2.77Å; R124-E163 IonicContact NE-OE1 3.88Å; R124-E163 PolarHBondContact NE-OE1 2.85Å; R124-E163 IonicContact NE-OE2 4Å; R124-E163 PolarHBondContact NE-OE2 2.76Å; R124-E163 IonicContact NH2-OE1 3.38Å; R124-E163 IonicContact NH2-OE2 3.85Å; R124-E163 PolarHBondContact NH2-OE2 3.43Å |
| 125 | D | 96.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.6 | -74.4 | -12 | 0 | 0 | 0 | 112.6 | R121 Q122 K123 R128 G129 | R121-D125 IonicContact CZ-OD1 2.92Å; R121-D125 IonicContact CZ-OD2 3.12Å; R121-D125 VanDerWaalsContact NE-CG 3.29Å; R121-D125 IonicContact NE-OD1 2.88Å; R121-D125 PolarHBondContact NE-OD1 2.87Å; R121-D125 IonicContact NE-OD2 3.52Å; R121-D125 PolarHBondContact NE-OD2 3.02Å; R121-D125 IonicContact NH1-OD1 3.37Å; R121-D125 PolarHBondContact NH1-OD1 3.03Å; R121-D125 VanDerWaalsContact NH2-CG 3.29Å; R121-D125 IonicContact NH2-OD1 3.07Å; R121-D125 PolarHBondContact NH2-OD1 3.19Å; R121-D125 IonicContact NH2-OD2 2.91Å; R121-D125 PolarHBondContact NH2-OD2 2.86Å; R121-D125 PolarHBondContact O-N 3.28Å; Q122-D125 PolarHBondContact O-N 3.43Å; K123-D125 VanDerWaalsContact C-N 3.33Å; K123-D125 PolarHBondContact O-N 2.92Å; D125-R128 PolarHBondContact O-N 3.24Å; D125-R128 IonicContact OD1-NH1 3.51Å; D125-R128 PolarHBondContact OD1-NH1 2.92Å; D125-G129 PolarHBondContact O-N 3.17Å |
| 126 | L | 94.5 | Very high | 95.2 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.6 | 179.1 | 66.5 | 0 | 0 | 0 | 111.5 | Q122 K123 G129 T130 Y349 P350 V353 Q354 | Q122-L126 VanDerWaalsContact O-CB 3.26Å; Q122-L126 WeakPolarHBondContact O-CB 3.15Å; Q122-L126 PolarHBondContact O-N 3.4Å; K123-L126 WeakPolarHBondContact O-CB 3.38Å; K123-L126 PolarHBondContact O-N 2.91Å; L126-G129 PolarHBondContact O-N 3.41Å; L126-T130 HydrophobicContact CD1-CG2 3.98Å; L126-T130 WeakPolarHBondContact O-CB 3.38Å; L126-T130 WeakPolarHBondContact O-CG2 3.43Å; L126-T130 PolarHBondContact O-N 2.98Å; L126-T130 PolarHBondContact O-OG1 3.23Å; L126-Y349 HydrophobicContact CD2-CD1 3.87Å; L126-Y349 HydrophobicContact CD2-CE1 3.72Å; L126-P350 HydrophobicContact CD2-CB 4.27Å; L126-V353 HydrophobicContact CD1-CB 4.36Å; L126-V353 HydrophobicContact CD1-CG1 3.91Å; L126-V353 HydrophobicContact CD2-CB 3.83Å; L126-V353 HydrophobicContact CD2-CG1 3.84Å; L126-V353 HydrophobicContact CD2-CG2 4.08Å; L126-V353 HydrophobicContact CG-CB 4.2Å; L126-V353 HydrophobicContact CG-CG1 3.68Å; L126-Q354 HydrophobicContact CD1-CG 4Å |
| 127 | I | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 174 | -70.1 | 169.8 | 0 | 0 | 0 | 110.1 | V114 K123 R124 G129 T130 W131 G132 F146 D209 | V114-I127 HydrophobicContact CG1-CD1 4.06Å; K123-I127 WeakPolarHBondContact O-CG1 3.49Å; K123-I127 PolarHBondContact O-N 2.8Å; R124-I127 PolarHBondContact O-N 2.85Å; I127-G129 VanDerWaalsContact C-N 3.26Å; I127-G129 PolarHBondContact O-N 3.04Å; I127-T130 PolarHBondContact O-N 2.87Å; I127-W131 HydrophobicContact CB-CZ2 4.09Å; I127-W131 HydrophobicContact CD1-CH2 4.45Å; I127-W131 HydrophobicContact CD1-CZ2 3.77Å; I127-W131 HydrophobicContact CG1-CH2 4.46Å; I127-W131 HydrophobicContact CG1-CZ2 3.56Å; I127-W131 HydrophobicContact CG2-CD2 4.29Å; I127-W131 HydrophobicContact CG2-CE3 4.4Å; I127-W131 HydrophobicContact CG2-CH2 3.63Å; I127-W131 HydrophobicContact CG2-CZ2 3.48Å; I127-W131 VanDerWaalsContact CG2-CZ2 3.48Å; I127-W131 HydrophobicContact CG2-CZ3 4.11Å; I127-G132 WeakPolarHBondContact O-CA 3.43Å; I127-G132 PolarHBondContact O-N 3.48Å; I127-F146 HydrophobicContact CB-CE1 4.37Å; I127-F146 HydrophobicContact CB-CZ 4.23Å; I127-F146 HydrophobicContact CD1-CE1 4.06Å; I127-F146 HydrophobicContact CG2-CE1 4.21Å; I127-F146 HydrophobicContact CG2-CZ 3.95Å; I127-D209 HydrophobicContact CD1-CB 4.22Å |
| 128 | R | 97.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 178 | -71 | -179.1 | -169.7 | 108.3 | 0.7 | 112.8 | R124 D125 S133 F146 E163 D169 | R124-R128 WeakPolarHBondContact O-CG 3.19Å; R124-R128 PolarHBondContact O-N 3.04Å; D125-R128 PolarHBondContact O-N 3.24Å; D125-R128 IonicContact OD1-NH1 3.51Å; D125-R128 PolarHBondContact OD1-NH1 2.92Å; R128-S133 WeakPolarHBondContact O-CA 3.2Å; R128-S133 VanDerWaalsContact O-CB 3.23Å; R128-S133 WeakPolarHBondContact O-CB 3.22Å; R128-S133 PolarHBondContact O-N 2.83Å; R128-F146 HydrophobicContact CG-CE2 4.12Å; R128-F146 HydrophobicContact CG-CZ 4.24Å; R128-E163 IonicContact CZ-OE1 2.87Å; R128-E163 IonicContact NH1-OE1 2.7Å; R128-E163 PolarHBondContact NH1-OE1 2.76Å; R128-E163 IonicContact NH2-OE1 3.37Å; R128-E163 PolarHBondContact NH2-OE1 2.76Å; R128-D169 IonicContact CZ-OD1 3.55Å; R128-D169 IonicContact CZ-OD2 3.4Å; R128-D169 IonicContact NE-OD1 2.89Å; R128-D169 IonicContact NE-OD2 2.61Å; R128-D169 PolarHBondContact NE-OD2 2.82Å; R128-D169 IonicContact NH2-OD1 2.89Å; R128-D169 PolarHBondContact NH2-OD1 3.12Å; R128-D169 IonicContact NH2-OD2 2.64Å |
| 129 | G | 95.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -85.8 | -9.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D125 L126 I127 | D125-G129 PolarHBondContact O-N 3.17Å; L126-G129 PolarHBondContact O-N 3.41Å; I127-G129 VanDerWaalsContact C-N 3.26Å; I127-G129 PolarHBondContact O-N 3.04Å |
| 130 | T | 93.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -118.8 | -177.9 | 59.5 | 0 | 0 | 0 | 0 | 111 | L126 I127 G132 S133 V353 Q354 W357 | L126-T130 HydrophobicContact CD1-CG2 3.98Å; L126-T130 WeakPolarHBondContact O-CB 3.38Å; L126-T130 WeakPolarHBondContact O-CG2 3.43Å; L126-T130 PolarHBondContact O-N 2.98Å; L126-T130 PolarHBondContact O-OG1 3.23Å; I127-T130 PolarHBondContact O-N 2.87Å; T130-G132 PolarHBondContact O-N 2.89Å; T130-S133 WeakPolarHBondContact O-CB 3.33Å; T130-S133 PolarHBondContact O-N 3.42Å; T130-S133 PolarHBondContact O-OG 2.89Å; T130-V353 HydrophobicContact CG2-CG1 4.11Å; T130-Q354 HydrophobicContact CG2-CG 4.35Å; T130-W357 HydrophobicContact CG2-CB 4.14Å; T130-W357 HydrophobicContact CG2-CG 4.03Å |
| 131 | W | 92.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -61.1 | -32.6 | -175.5 | 59.9 | -96.5 | 0 | 0 | 0 | 113 | I112 V114 I127 S133 L134 I144 V207 T211 F212 V213 I215 W357 | I112-W131 HydrophobicContact CD1-CZ3 4.11Å; V114-W131 HydrophobicContact CG2-CH2 4.29Å; I127-W131 HydrophobicContact CB-CZ2 4.09Å; I127-W131 HydrophobicContact CD1-CH2 4.45Å; I127-W131 HydrophobicContact CD1-CZ2 3.77Å; I127-W131 HydrophobicContact CG1-CH2 4.46Å; I127-W131 HydrophobicContact CG1-CZ2 3.56Å; I127-W131 HydrophobicContact CG2-CD2 4.29Å; I127-W131 HydrophobicContact CG2-CE3 4.4Å; I127-W131 HydrophobicContact CG2-CH2 3.63Å; I127-W131 HydrophobicContact CG2-CZ2 3.48Å; I127-W131 VanDerWaalsContact CG2-CZ2 3.48Å; I127-W131 HydrophobicContact CG2-CZ3 4.11Å; W131-S133 PolarHBondContact O-N 3.02Å; W131-L134 PolarHBondContact O-N 2.89Å; W131-I144 HydrophobicContact CE3-CD1 4.15Å; W131-I144 HydrophobicContact CH2-CD1 4.34Å; W131-I144 HydrophobicContact CZ3-CD1 3.56Å; W131-V207 HydrophobicContact CH2-CG2 4.23Å; W131-T211 WeakPolarHBondContact CZ2-O 3.27Å; W131-F212 HydrophobicContact CB-CE2 4.03Å; W131-F212 HydrophobicContact CB-CZ 4.05Å; W131-F212 AromaticContact CD1-CD2 3.41Å; W131-F212 VanDerWaalsContact CD1-CD2 3.41Å; W131-F212 AromaticContact CD1-CE2 3.69Å; W131-F212 AromaticContact CD1-CG 3.93Å; W131-F212 HydrophobicContact CG-CD2 4.23Å; W131-F212 HydrophobicContact CG-CE2 4.21Å; W131-V213 WeakPolarHBondContact CB-O 3.14Å; W131-V213 HydrophobicContact CD2-CB 4.17Å; W131-V213 HydrophobicContact CD2-CG2 4.49Å; W131-V213 HydrophobicContact CE3-CB 3.87Å; W131-V213 HydrophobicContact CE3-CG2 4.19Å; W131-V213 HydrophobicContact CH2-CB 4.47Å; W131-V213 HydrophobicContact CH2-CG2 3.88Å; W131-V213 HydrophobicContact CZ2-CG2 4.18Å; W131-V213 HydrophobicContact CZ3-CB 4.03Å; W131-V213 HydrophobicContact CZ3-CG2 3.88Å; W131-I215 HydrophobicContact CB-CG1 4.31Å; W131-I215 HydrophobicContact CE3-CD1 4Å; W131-I215 HydrophobicContact CE3-CG1 4.21Å; W131-I215 HydrophobicContact CZ3-CD1 4.45Å; W131-I215 WeakPolarHBondContact O-CG1 3.3Å; W131-W357 HydrophobicContact CB-CE3 3.95Å; W131-W357 HydrophobicContact CB-CZ3 4.11Å |
| 132 | G | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -67 | -18.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I127 T130 L134 R135 | I127-G132 WeakPolarHBondContact O-CA 3.43Å; I127-G132 PolarHBondContact O-N 3.48Å; T130-G132 PolarHBondContact O-N 2.89Å; G132-L134 PolarHBondContact O-N 2.92Å; G132-R135 WeakPolarHBondContact O-CD 3.34Å; G132-R135 PolarHBondContact O-NE 3.31Å; G132-R135 PolarHBondContact O-NH1 3.48Å |
| 133 | S | 95.2 | Very high | 94.7 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -68.4 | -23.1 | 178.7 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | R128 T130 W131 R135 | R128-S133 WeakPolarHBondContact O-CA 3.2Å; R128-S133 VanDerWaalsContact O-CB 3.23Å; R128-S133 WeakPolarHBondContact O-CB 3.22Å; R128-S133 PolarHBondContact O-N 2.83Å; T130-S133 WeakPolarHBondContact O-CB 3.33Å; T130-S133 PolarHBondContact O-N 3.42Å; T130-S133 PolarHBondContact O-OG 2.89Å; W131-S133 PolarHBondContact O-N 3.02Å; S133-R135 PolarHBondContact O-N 2.83Å |
| 134 | L | 93.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | trans | -76.3 | 85.9 | 174.1 | -63.4 | -176.3 | 0 | 0 | 0 | 112.2 | W131 G132 R136 I215 F216 W357 | W131-L134 PolarHBondContact O-N 2.89Å; G132-L134 PolarHBondContact O-N 2.92Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.27Å; L134-I215 HydrophobicContact CB-CB 4.42Å; L134-I215 HydrophobicContact CB-CG2 3.98Å; L134-I215 HydrophobicContact CD1-CB 4.14Å; L134-I215 HydrophobicContact CD1-CG2 4.24Å; L134-F216 HydrophobicContact CD1-CD2 4.12Å; L134-F216 HydrophobicContact CD1-CE1 4.18Å; L134-F216 HydrophobicContact CD1-CE2 3.46Å; L134-F216 VanDerWaalsContact CD1-CE2 3.46Å; L134-F216 HydrophobicContact CD1-CZ 3.49Å; L134-F216 VanDerWaalsContact CD1-CZ 3.49Å; L134-W357 HydrophobicContact CD1-CH2 3.42Å; L134-W357 VanDerWaalsContact CD1-CH2 3.42Å; L134-W357 HydrophobicContact CD1-CZ3 3.8Å; L134-W357 HydrophobicContact CD2-CH2 4.03Å; L134-W357 HydrophobicContact CG-CH2 3.47Å; L134-W357 VanDerWaalsContact CG-CH2 3.47Å; L134-W357 HydrophobicContact CG-CZ2 4.35Å; L134-W357 HydrophobicContact CG-CZ3 4.2Å | ||
| 135 | R | 94.2 | Very high | 95 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | trans | -80 | -4.5 | 174.7 | -55 | -53.7 | -169.4 | -162.9 | 8.2 | 114.1 | G132 S133 I142 | G132-R135 WeakPolarHBondContact O-CD 3.34Å; G132-R135 PolarHBondContact O-NE 3.31Å; G132-R135 PolarHBondContact O-NH1 3.48Å; S133-R135 PolarHBondContact O-N 2.83Å; R135-I142 PolarHBondContact O-N 3.44Å | ||
| 136 | R | 94.8 | Very high | 95.1 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 50% | 0.498 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 132.1 | 179.1 | -163.7 | 178.1 | -171.3 | 94.9 | -2 | 111.1 | L134 N138 N139 R140 | L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.27Å; R136-N138 WeakPolarHBondContact CG-O 3.41Å; R136-N138 PolarHBondContact NE-O 2.96Å; R136-N139 PolarHBondContact NH2-O 3.27Å; R136-R140 VanDerWaalsContact CA-O 3.28Å; R136-R140 WeakPolarHBondContact CA-O 3.42Å; R136-R140 WeakPolarHBondContact CG-O 3.48Å |
| 137 | V | 92.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.9 | 167 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | N139 R140 I215 F216 T219 | V137-N139 PolarHBondContact O-N 3.25Å; V137-R140 PolarHBondContact N-O 2.92Å; V137-R140 VanDerWaalsContact N-O 3.07Å; V137-R140 WeakPolarHBondContact O-CB 3.21Å; V137-R140 PolarHBondContact O-N 3.27Å; V137-I215 HydrophobicContact CG2-CG2 3.71Å; V137-F216 HydrophobicContact CG1-CD1 3.87Å; V137-F216 HydrophobicContact CG1-CE1 4.39Å; V137-F216 HydrophobicContact CG2-CD1 3.96Å; V137-F216 HydrophobicContact CG2-CE1 4.09Å; V137-T219 HydrophobicContact CB-CG2 3.95Å; V137-T219 HydrophobicContact CG1-CG2 3.92Å |
| 138 | N | 88.9 | Confident | 95.4 | Very high | 118 Ų | 118 | 37.6 Ų | 37.6 | 63% | 0.631 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | -125.8 | -169.9 | -57 | -29.9 | 0 | 0 | 0 | 111.3 | R136 | R136-N138 WeakPolarHBondContact CG-O 3.41Å; R136-N138 PolarHBondContact NE-O 2.96Å |
| 139 | N | 91.5 | Very high | 95.4 | Very high | 133 Ų | 133 | 36.3 Ų | 36.3 | 71% | 0.711 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 12.3 | 175.9 | -76.7 | -27.3 | 0 | 0 | 0 | 113.7 | R136 V137 | R136-N139 PolarHBondContact NH2-O 3.27Å; V137-N139 PolarHBondContact O-N 3.25Å |
| 140 | R | 95.2 | Very high | 95.5 | Very high | 85 Ų | 85 | 36 Ų | 36 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119 | -176 | -57.5 | -51.7 | -178.8 | 174.8 | -0.4 | 111.1 | W109 R136 V137 T219 E223 | W109-R140 HydrophobicContact CD2-CB 4.14Å; W109-R140 HydrophobicContact CD2-CG 4.06Å; W109-R140 HydrophobicContact CE3-CB 3.45Å; W109-R140 VanDerWaalsContact CE3-CB 3.45Å; W109-R140 HydrophobicContact CE3-CG 3.57Å; W109-R140 HydrophobicContact CH2-CG 4.08Å; W109-R140 HydrophobicContact CZ3-CB 3.8Å; W109-R140 HydrophobicContact CZ3-CG 3.57Å; R136-R140 VanDerWaalsContact CA-O 3.28Å; R136-R140 WeakPolarHBondContact CA-O 3.42Å; R136-R140 WeakPolarHBondContact CG-O 3.48Å; V137-R140 PolarHBondContact N-O 2.92Å; V137-R140 VanDerWaalsContact N-O 3.07Å; V137-R140 WeakPolarHBondContact O-CB 3.21Å; V137-R140 PolarHBondContact O-N 3.27Å; R140-T219 HydrophobicContact CB-CG2 3.82Å; R140-T219 HydrophobicContact CG-CG2 3.81Å; R140-E223 HydrophobicContact CG-CG 4.11Å; R140-E223 WeakPolarHBondContact CG-OE1 3.33Å; R140-E223 IonicContact CZ-OE1 2.91Å; R140-E223 IonicContact NE-OE1 2.91Å; R140-E223 PolarHBondContact NE-OE1 3.26Å; R140-E223 IonicContact NH2-OE1 3.64Å |
| 141 | K | 96.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 136.3 | 179.8 | -170.4 | 175.7 | -176.1 | 174.4 | 0 | 110.6 | T106 L108 W109 I110 | T106-K141 VanDerWaalsContact O-CD 3.24Å; T106-K141 WeakPolarHBondContact O-CD 3.34Å; T106-K141 PolarHBondContact O-NZ 3.36Å; L108-K141 HydrophobicContact CD1-CG 4.32Å; W109-K141 WeakPolarHBondContact CB-O 3.21Å; W109-K141 PolarHBondContact N-O 3.5Å; I110-K141 PolarHBondContact N-O 2.99Å |
| 142 | I | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.8 | -173.9 | -52.3 | 176.4 | 0 | 0 | 0 | 108.2 | I110 I112 R135 I215 | I110-I142 HydrophobicContact CB-CG1 4.41Å; I110-I142 HydrophobicContact CB-CG2 4.31Å; I110-I142 HydrophobicContact CD1-CD1 4.36Å; I110-I142 HydrophobicContact CD1-CG1 4.2Å; I110-I142 HydrophobicContact CG2-CG2 4.39Å; I112-I142 HydrophobicContact CD1-CG2 3.79Å; I112-I142 HydrophobicContact CG1-CG2 4Å; R135-I142 PolarHBondContact O-N 3.44Å; I142-I215 HydrophobicContact CD1-CG2 3.3Å |
| 143 | G | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | I110 I112 | I110-G143 PolarHBondContact O-N 3.48Å; I112-G143 PolarHBondContact N-O 2.86Å |
| 144 | I | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.8 | 178.9 | -56 | -166.2 | 0 | 0 | 0 | 108.4 | Y101 I112 V114 W131 F146 | Y101-I144 PolarHBondContact OH-N 2.91Å; Y101-I144 PolarHBondContact OH-O 3.45Å; I112-I144 HydrophobicContact CB-CD1 4.42Å; I112-I144 HydrophobicContact CB-CG1 3.95Å; I112-I144 HydrophobicContact CD1-CD1 4.02Å; I112-I144 HydrophobicContact CD1-CG1 4.16Å; I112-I144 HydrophobicContact CG1-CG1 4.23Å; I112-I144 WeakPolarHBondContact O-CA 3.38Å; V114-I144 HydrophobicContact CG2-CG2 3.71Å; W131-I144 HydrophobicContact CE3-CD1 4.15Å; W131-I144 HydrophobicContact CH2-CD1 4.34Å; W131-I144 HydrophobicContact CZ3-CD1 3.56Å; I144-F146 HydrophobicContact CG2-CE2 4.46Å; I144-F146 HydrophobicContact CG2-CZ 4.35Å |
| 145 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137 | 173 | -74 | 177.1 | 0 | 0 | 0 | 109.7 | Q98 Y101 L111 I112 V114 F147 D169 V171 W192 | Q98-L145 HydrophobicContact CB-CD1 4.44Å; Q98-L145 HydrophobicContact CB-CD2 4.37Å; Q98-L145 HydrophobicContact CG-CD2 3.97Å; Y101-L145 HydrophobicContact CD1-CD1 4.07Å; Y101-L145 HydrophobicContact CD1-CD2 4.34Å; Y101-L145 HydrophobicContact CD1-CG 4.26Å; Y101-L145 HydrophobicContact CD2-CD2 3.54Å; Y101-L145 HydrophobicContact CD2-CG 4.32Å; Y101-L145 HydrophobicContact CE1-CD1 4.34Å; Y101-L145 HydrophobicContact CE1-CD2 4.29Å; Y101-L145 HydrophobicContact CE1-CG 4.09Å; Y101-L145 HydrophobicContact CE2-CD2 3.44Å; Y101-L145 VanDerWaalsContact CE2-CD2 3.44Å; Y101-L145 HydrophobicContact CE2-CG 4.12Å; Y101-L145 HydrophobicContact CG-CD1 4.2Å; Y101-L145 HydrophobicContact CG-CD2 3.99Å; Y101-L145 HydrophobicContact CG-CG 4.37Å; L111-L145 HydrophobicContact CD1-CD1 4.07Å; L111-L145 HydrophobicContact CD1-CG 4.18Å; I112-L145 PolarHBondContact O-N 2.93Å; V114-L145 PolarHBondContact N-O 3.26Å; L145-F147 HydrophobicContact CB-CD2 4.29Å; L145-F147 HydrophobicContact CB-CE2 3.64Å; L145-F147 HydrophobicContact CB-CZ 4.34Å; L145-D169 WeakPolarHBondContact CA-O 3.35Å; L145-D169 HydrophobicContact CD2-CB 4.34Å; L145-D169 WeakPolarHBondContact CD2-O 3.31Å; L145-V171 HydrophobicContact CB-CG2 4.27Å; L145-V171 HydrophobicContact CD1-CG2 3.92Å; L145-V171 HydrophobicContact CD2-CG2 4.32Å; L145-V171 HydrophobicContact CG-CG2 4.41Å; L145-W192 HydrophobicContact CD1-CH2 3.39Å; L145-W192 HydrophobicContact CD1-CZ2 3.5Å; L145-W192 VanDerWaalsContact CD1-CZ2 3.5Å; L145-W192 HydrophobicContact CD1-CZ3 4.03Å |
| 146 | F | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.4 | 177.7 | -65.7 | -77.4 | 0 | 0 | 0 | 110 | V114 T116 R124 I127 R128 I144 M148 D169 V171 | V114-F146 HydrophobicContact CB-CD1 3.66Å; V114-F146 HydrophobicContact CB-CE1 3.98Å; V114-F146 HydrophobicContact CG1-CD1 3.8Å; V114-F146 HydrophobicContact CG1-CE1 3.94Å; V114-F146 HydrophobicContact CG2-CD1 4.23Å; V114-F146 HydrophobicContact CG2-CE1 4.1Å; T116-F146 HydrophobicContact CG2-CB 4.01Å; T116-F146 HydrophobicContact CG2-CD1 4.38Å; R124-F146 HydrophobicContact CB-CD1 4.31Å; R124-F146 HydrophobicContact CB-CE1 3.98Å; R124-F146 HydrophobicContact CB-CE2 4.45Å; R124-F146 HydrophobicContact CB-CZ 4.05Å; R124-F146 HydrophobicContact CG-CD1 3.65Å; R124-F146 HydrophobicContact CG-CE1 3.76Å; R124-F146 HydrophobicContact CG-CG 4.1Å; R124-F146 HydrophobicContact CG-CZ 4.29Å; I127-F146 HydrophobicContact CB-CE1 4.37Å; I127-F146 HydrophobicContact CB-CZ 4.23Å; I127-F146 HydrophobicContact CD1-CE1 4.06Å; I127-F146 HydrophobicContact CG2-CE1 4.21Å; I127-F146 HydrophobicContact CG2-CZ 3.95Å; R128-F146 HydrophobicContact CG-CE2 4.12Å; R128-F146 HydrophobicContact CG-CZ 4.24Å; I144-F146 HydrophobicContact CG2-CE2 4.46Å; I144-F146 HydrophobicContact CG2-CZ 4.35Å; F146-M148 HydrophobicContact CB-CE 4.34Å; F146-D169 PolarHBondContact N-O 3.13Å; F146-V171 PolarHBondContact O-N 2.63Å |
| 147 | F | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.5 | -177.2 | -72.7 | -101.6 | 0 | 0 | 0 | 111.1 | A113 V114 T116 L145 V171 T188 I189 W192 | A113-F147 HydrophobicContact CB-CD2 3.81Å; A113-F147 HydrophobicContact CB-CE2 3.55Å; A113-F147 HydrophobicContact CB-CZ 4.45Å; V114-F147 PolarHBondContact O-N 3.33Å; T116-F147 PolarHBondContact N-O 3.23Å; T116-F147 VanDerWaalsContact N-O 3.12Å; L145-F147 HydrophobicContact CB-CD2 4.29Å; L145-F147 HydrophobicContact CB-CE2 3.64Å; L145-F147 HydrophobicContact CB-CZ 4.34Å; F147-V171 WeakPolarHBondContact CA-O 3.2Å; F147-V171 HydrophobicContact CD1-CB 3.69Å; F147-V171 HydrophobicContact CD1-CG1 3.7Å; F147-V171 HydrophobicContact CD1-CG2 4.4Å; F147-V171 HydrophobicContact CE1-CB 3.65Å; F147-V171 HydrophobicContact CE1-CG1 3.53Å; F147-V171 HydrophobicContact CE1-CG2 3.92Å; F147-V171 HydrophobicContact CE2-CG2 4.37Å; F147-V171 HydrophobicContact CG-CB 4.18Å; F147-V171 HydrophobicContact CZ-CB 4.1Å; F147-V171 HydrophobicContact CZ-CG1 4.34Å; F147-V171 HydrophobicContact CZ-CG2 3.89Å; F147-T188 HydrophobicContact CD1-CG2 4.34Å; F147-I189 HydrophobicContact CB-CG1 4.16Å; F147-I189 HydrophobicContact CD1-CB 4.43Å; F147-I189 HydrophobicContact CD1-CG1 3.56Å; F147-I189 HydrophobicContact CD2-CD1 4.37Å; F147-I189 HydrophobicContact CD2-CG1 3.93Å; F147-I189 HydrophobicContact CE1-CB 4.26Å; F147-I189 HydrophobicContact CE1-CG1 3.82Å; F147-I189 HydrophobicContact CE2-CG1 4.17Å; F147-I189 HydrophobicContact CG-CD1 4.3Å; F147-I189 HydrophobicContact CG-CG1 3.61Å; F147-I189 HydrophobicContact CZ-CG1 4.13Å; F147-I189 HydrophobicContact CZ-CG2 4.39Å; F147-W192 HydrophobicContact CE1-CB 3.96Å; F147-W192 HydrophobicContact CE1-CD2 4.42Å; F147-W192 HydrophobicContact CE1-CG 4.03Å; F147-W192 HydrophobicContact CZ-CB 4.49Å; F147-W192 HydrophobicContact CZ-CD2 4.2Å; F147-W192 HydrophobicContact CZ-CE3 4.26Å; F147-W192 HydrophobicContact CZ-CG 4.29Å |
| 148 | M | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 163.8 | 179.9 | 65.7 | -173.6 | 84.2 | 0 | 0 | 113.1 | T116 P118 F146 I160 V170 V171 Q172 R173 E177 | T116-M148 HydrophobicContact CG2-CB 4.17Å; T116-M148 HydrophobicContact CG2-CE 3.4Å; T116-M148 VanDerWaalsContact CG2-CE 3.4Å; P118-M148 HydrophobicContact CB-SD 4.22Å; P118-M148 HydrophobicContact CG-CB 4.38Å; P118-M148 HydrophobicContact CG-CG 4.38Å; P118-M148 HydrophobicContact CG-SD 3.91Å; F146-M148 HydrophobicContact CB-CE 4.34Å; M148-I160 HydrophobicContact SD-CD1 4.01Å; M148-I160 HydrophobicContact SD-CG1 4.3Å; M148-I160 HydrophobicContact SD-CG2 4.09Å; M148-V170 HydrophobicContact CE-CG1 3.72Å; M148-V170 HydrophobicContact CE-CG2 4.22Å; M148-V170 HydrophobicContact CG-CG1 4.25Å; M148-V170 HydrophobicContact SD-CG1 4.2Å; M148-V171 PolarHBondContact N-O 3.12Å; M148-V171 VanDerWaalsContact N-O 3.16Å; M148-Q172 HydrophobicContact CG-CB 4.43Å; M148-Q172 HydrophobicContact CG-CG 4.17Å; M148-Q172 WeakPolarHBondContact O-CA 3.29Å; M148-R173 PolarHBondContact O-N 3.08Å; M148-R173 VanDerWaalsContact O-N 3.13Å; M148-E177 WeakPolarHBondContact CA-OE2 3.48Å |
| 149 | G | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -168.1 | 164 | 0 | 0 | 0 | 0 | 0 | 112.5 | P118 Q172 R173 F175 E177 | P118-G149 WeakPolarHBondContact CG-O 3.29Å; G149-Q172 PolarHBondContact O-NE2 3.19Å; G149-R173 WeakPolarHBondContact CA-O 2.99Å; G149-F175 CarbonylContact C-O 3.17Å; G149-F175 VanDerWaalsContact CA-O 3.31Å; G149-F175 WeakPolarHBondContact CA-O 3.34Å; G149-E177 PolarHBondContact N-OE2 2.95Å |
| 150 | L | 97.7 | Very high | 97.2 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 148.1 | 173.3 | -67.2 | 170.8 | 0 | 0 | 0 | 111.4 | I95 A174 F175 E177 | I95-L150 HydrophobicContact CG1-CD2 4.11Å; L150-A174 HydrophobicContact CD1-CB 4.1Å; L150-F175 PolarHBondContact N-O 2.85Å; L150-E177 VanDerWaalsContact O-CB 3.26Å; L150-E177 WeakPolarHBondContact O-CB 3.28Å; L150-E177 PolarHBondContact O-N 3.04Å |
| 151 | S | 96.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | trans | -79.6 | 151.7 | 163.4 | -169 | 0 | 0 | 0 | 0 | 111 | D153 E156 | S151-D153 VanDerWaalsContact C-N 3.31Å; S151-D153 PolarHBondContact OG-N 3.23Å; S151-D153 VanDerWaalsContact OG-N 3.1Å; S151-E156 WeakPolarHBondContact CB-OE1 3.48Å; S151-E156 VanDerWaalsContact OG-CD 3.25Å; S151-E156 PolarHBondContact OG-OE1 3.23Å | ||
| 152 | N | 95.1 | Very high | 97.3 | Very high | 140 Ų | 140 | 50.8 Ų | 50.8 | 75% | 0.749 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -79.5 | -15.8 | 164.8 | 60.4 | -3 | 0 | 0 | 0 | 112.4 | L176 | N152-L176 HydrophobicContact CB-CD1 3.75Š|
| 153 | D | 96.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 40% | 0.401 | 25% | 0.25 | S | C | . | . | trans | -92.4 | 117.7 | 175.8 | -175 | -11.5 | 0 | 0 | 0 | 110.4 | S151 K155 E156 Q157 | S151-D153 VanDerWaalsContact C-N 3.31Å; S151-D153 PolarHBondContact OG-N 3.23Å; S151-D153 VanDerWaalsContact OG-N 3.1Å; D153-K155 PolarHBondContact O-N 3.35Å; D153-K155 WeakPolarHBondContact OD1-CB 3.12Å; D153-K155 PolarHBondContact OD1-N 3.01Å; D153-E156 HydrophobicContact CB-CB 3.93Å; D153-E156 PolarHBondContact O-N 3.06Å; D153-Q157 PolarHBondContact O-N 3.39Å | ||
| 154 | L | 95.7 | Very high | 97.4 | Very high | 138 Ų | 138 | 52.1 Ų | 52.1 | 72% | 0.723 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.1 | -28.9 | 178.1 | -65.2 | 176.5 | 0 | 0 | 0 | 113.2 | K158 | L154-K158 WeakPolarHBondContact O-CG 3.18Å; L154-K158 PolarHBondContact O-N 2.8Å; L154-K158 VanDerWaalsContact O-N 3.16Å |
| 155 | K | 96.5 | Very high | 97.4 | Very high | 161 Ų | 161 | 61.6 Ų | 61.6 | 70% | 0.7 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.8 | -45 | 175.4 | -66.8 | -179.3 | -179.8 | 176.9 | 0 | 110.5 | D153 Q157 K158 L159 | D153-K155 PolarHBondContact O-N 3.35Å; D153-K155 WeakPolarHBondContact OD1-CB 3.12Å; D153-K155 PolarHBondContact OD1-N 3.01Å; K155-Q157 VanDerWaalsContact C-N 3.34Å; K155-K158 PolarHBondContact O-N 2.94Å; K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.11Å; K155-L159 VanDerWaalsContact O-N 3.11Å |
| 156 | E | 96.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.9 | -175.1 | 171.3 | 104.4 | 0 | 0 | 111 | H117 P118 N119 S151 D153 K158 L159 I160 | H117-E156 IonicContact CE1-OE1 3.72Å; P118-E156 HydrophobicContact CB-CG 4.04Å; P118-E156 VanDerWaalsContact CB-OE1 3.29Å; P118-E156 WeakPolarHBondContact CB-OE1 3.3Å; N119-E156 VanDerWaalsContact CA-CD 3.49Å; N119-E156 WeakPolarHBondContact CA-OE2 3.34Å; N119-E156 WeakPolarHBondContact CB-OE2 3.37Å; N119-E156 PolarHBondContact N-OE1 2.86Å; N119-E156 VanDerWaalsContact N-OE1 3.11Å; N119-E156 PolarHBondContact N-OE2 3.14Å; N119-E156 PolarHBondContact OD1-OE2 3.36Å; S151-E156 WeakPolarHBondContact CB-OE1 3.48Å; S151-E156 VanDerWaalsContact OG-CD 3.25Å; S151-E156 PolarHBondContact OG-OE1 3.23Å; D153-E156 HydrophobicContact CB-CB 3.93Å; D153-E156 PolarHBondContact O-N 3.06Å; E156-K158 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 3.21Å; E156-L159 WeakPolarHBondContact O-CB 3.47Å; E156-L159 PolarHBondContact O-N 3.47Å; E156-L159 VanDerWaalsContact O-N 3.09Å; E156-I160 WeakPolarHBondContact O-CG1 3.18Å; E156-I160 PolarHBondContact O-N 3Å |
| 157 | Q | 97.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 71.7 Ų | 71.7 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.3 | -174.6 | 59.7 | 35.9 | 0 | 0 | 112.7 | D153 K155 L159 I160 E161 | D153-Q157 PolarHBondContact O-N 3.39Å; K155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; Q157-L159 PolarHBondContact O-N 3.44Å; Q157-I160 WeakPolarHBondContact O-CB 3.5Å; Q157-I160 PolarHBondContact O-N 3.24Å; Q157-E161 PolarHBondContact O-N 3.3Å |
| 158 | K | 97.5 | Very high | 97.2 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.4 | -38.2 | 173.1 | -76.1 | 176.6 | 180 | -174.7 | 0 | 112.6 | L154 K155 E156 I160 E161 E162 | L154-K158 WeakPolarHBondContact O-CG 3.18Å; L154-K158 PolarHBondContact O-N 2.8Å; L154-K158 VanDerWaalsContact O-N 3.16Å; K155-K158 PolarHBondContact O-N 2.94Å; E156-K158 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 3.21Å; K158-I160 VanDerWaalsContact C-N 3.29Å; K158-I160 PolarHBondContact O-N 2.8Å; K158-E161 WeakPolarHBondContact O-CB 3.41Å; K158-E161 PolarHBondContact O-N 3.3Å; K158-E162 WeakPolarHBondContact O-CG 3.45Å; K158-E162 PolarHBondContact O-N 2.61Å |
| 159 | L | 97.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 73.1 Ų | 73.1 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -33.3 | 175.2 | -66.7 | 172.3 | 0 | 0 | 0 | 111.8 | K155 E156 Q157 E162 E163 | K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.11Å; K155-L159 VanDerWaalsContact O-N 3.11Å; E156-L159 WeakPolarHBondContact O-CB 3.47Å; E156-L159 PolarHBondContact O-N 3.47Å; E156-L159 VanDerWaalsContact O-N 3.09Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; Q157-L159 PolarHBondContact O-N 3.44Å; L159-E162 PolarHBondContact O-N 2.96Å; L159-E163 VanDerWaalsContact O-CB 3.3Å; L159-E163 WeakPolarHBondContact O-CB 3.35Å; L159-E163 PolarHBondContact O-N 3.03Å |
| 160 | I | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 172.2 | -57 | -53.5 | 0 | 0 | 0 | 111.4 | F96 P118 M148 E156 Q157 K158 E162 E163 E164 V170 | F96-I160 HydrophobicContact CE2-CG2 3.97Å; P118-I160 HydrophobicContact CB-CD1 4.11Å; P118-I160 HydrophobicContact CB-CG1 4Å; P118-I160 WeakPolarHBondContact O-CD1 3.45Å; M148-I160 HydrophobicContact SD-CD1 4.01Å; M148-I160 HydrophobicContact SD-CG1 4.3Å; M148-I160 HydrophobicContact SD-CG2 4.09Å; E156-I160 WeakPolarHBondContact O-CG1 3.18Å; E156-I160 PolarHBondContact O-N 3Å; Q157-I160 WeakPolarHBondContact O-CB 3.5Å; Q157-I160 PolarHBondContact O-N 3.24Å; K158-I160 VanDerWaalsContact C-N 3.29Å; K158-I160 PolarHBondContact O-N 2.8Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 2.57Å; I160-E163 WeakPolarHBondContact O-CB 3.31Å; I160-E163 PolarHBondContact O-N 2.92Å; I160-E164 WeakPolarHBondContact O-CB 3.39Å; I160-E164 PolarHBondContact O-N 3.2Å; I160-V170 HydrophobicContact CG2-CG1 4.27Å |
| 161 | E | 97.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 70.9 Ų | 70.9 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175.8 | -72.4 | 164.9 | -163.1 | 0 | 0 | 111.8 | F96 Q157 K158 R165 | F96-E161 HydrophobicContact CZ-CB 4.48Å; F96-E161 HydrophobicContact CZ-CG 3.86Å; Q157-E161 PolarHBondContact O-N 3.3Å; K158-E161 WeakPolarHBondContact O-CB 3.41Å; K158-E161 PolarHBondContact O-N 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 PolarHBondContact O-N 3.05Å |
| 162 | E | 97.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 174.8 | -72.3 | 176.8 | -177.3 | 0 | 0 | 112.2 | K158 L159 I160 R165 I166 | K158-E162 WeakPolarHBondContact O-CG 3.45Å; K158-E162 PolarHBondContact O-N 2.61Å; L159-E162 PolarHBondContact O-N 2.96Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 2.57Å; E162-R165 PolarHBondContact O-N 3.35Å; E162-I166 WeakPolarHBondContact O-CD1 3.4Å; E162-I166 VanDerWaalsContact O-CG1 3.31Å; E162-I166 WeakPolarHBondContact O-CG1 3.34Å; E162-I166 PolarHBondContact O-N 3.42Å |
| 163 | E | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57 | -50.9 | 174 | 158.9 | 165.8 | -135.7 | 0 | 0 | 111.5 | R121 R124 R128 L159 I160 R165 I166 Y167 V170 | R121-E163 IonicContact CZ-OE1 3.8Å; R121-E163 VanDerWaalsContact NH1-CB 3.31Å; R121-E163 IonicContact NH1-OE1 2.81Å; R121-E163 PolarHBondContact NH1-OE1 3.48Å; R121-E163 IonicContact NH1-OE2 3.75Å; R124-E163 IonicContact CZ-OE1 3.37Å; R124-E163 IonicContact CZ-OE2 2.77Å; R124-E163 IonicContact NE-OE1 3.88Å; R124-E163 PolarHBondContact NE-OE1 2.85Å; R124-E163 IonicContact NE-OE2 4Å; R124-E163 PolarHBondContact NE-OE2 2.76Å; R124-E163 IonicContact NH2-OE1 3.38Å; R124-E163 IonicContact NH2-OE2 3.85Å; R124-E163 PolarHBondContact NH2-OE2 3.43Å; R128-E163 IonicContact CZ-OE1 2.87Å; R128-E163 IonicContact NH1-OE1 2.7Å; R128-E163 PolarHBondContact NH1-OE1 2.76Å; R128-E163 IonicContact NH2-OE1 3.37Å; R128-E163 PolarHBondContact NH2-OE1 2.76Å; L159-E163 VanDerWaalsContact O-CB 3.3Å; L159-E163 WeakPolarHBondContact O-CB 3.35Å; L159-E163 PolarHBondContact O-N 3.03Å; I160-E163 WeakPolarHBondContact O-CB 3.31Å; I160-E163 PolarHBondContact O-N 2.92Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.3Å; E163-I166 PolarHBondContact O-N 3.07Å; E163-Y167 HydrophobicContact CG-CD2 4.14Å; E163-Y167 VanDerWaalsContact O-CD2 3.3Å; E163-Y167 WeakPolarHBondContact O-CD2 3.39Å; E163-Y167 PolarHBondContact O-N 2.75Å; E163-V170 HydrophobicContact CG-CG2 4.14Å |
| 164 | E | 98 | Very high | 97.4 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | -179.5 | 171.1 | 50.1 | -152.3 | 0 | 0 | 111.2 | F96 Q98 I160 I166 G168 D169 V170 | F96-E164 HydrophobicContact CB-CG 4.37Å; F96-E164 HydrophobicContact CD1-CG 3.78Å; F96-E164 HydrophobicContact CD2-CB 4.19Å; F96-E164 HydrophobicContact CD2-CG 3.94Å; F96-E164 HydrophobicContact CE1-CG 4.02Å; F96-E164 HydrophobicContact CE2-CB 4.08Å; F96-E164 HydrophobicContact CE2-CG 4.19Å; F96-E164 HydrophobicContact CG-CB 4.49Å; F96-E164 HydrophobicContact CG-CG 3.75Å; F96-E164 HydrophobicContact CZ-CB 4.25Å; F96-E164 HydrophobicContact CZ-CG 4.21Å; Q98-E164 PolarHBondContact NE2-OE1 2.85Å; Q98-E164 PolarHBondContact NE2-OE2 3.13Å; I160-E164 WeakPolarHBondContact O-CB 3.39Å; I160-E164 PolarHBondContact O-N 3.2Å; E164-I166 PolarHBondContact O-N 2.65Å; E164-G168 WeakPolarHBondContact O-CA 3.27Å; E164-G168 PolarHBondContact O-N 3.42Å; E164-G168 WeakPolarHBondContact OE1-CA 3.39Å; E164-D169 PolarHBondContact OE2-N 3.31Å; E164-V170 HydrophobicContact CB-CB 4.39Å; E164-V170 WeakPolarHBondContact OE2-CA 3.25Å; E164-V170 VanDerWaalsContact OE2-CB 3.3Å; E164-V170 WeakPolarHBondContact OE2-CB 3.41Å; E164-V170 PolarHBondContact OE2-N 2.79Å |
| 165 | R | 97.6 | Very high | 97.5 | Very high | 200 Ų | 200 | 55.6 Ų | 55.6 | 76% | 0.755 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.7 | -32.7 | 174.3 | -174.9 | -178.6 | 63.1 | 167.3 | -3.6 | 112.9 | E161 E162 E163 | E161-R165 WeakPolarHBondContact O-CB 3.44Å; E161-R165 PolarHBondContact O-N 3.05Å; E162-R165 PolarHBondContact O-N 3.35Å; E163-R165 VanDerWaalsContact C-N 3.28Å; E163-R165 PolarHBondContact O-N 3.3Å |
| 166 | I | 97.4 | Very high | 97.5 | Very high | 111 Ų | 111 | 52 Ų | 52 | 57% | 0.569 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -82.1 | -46.9 | -178.6 | -65.7 | 164 | 0 | 0 | 0 | 111.3 | E162 E163 E164 | E162-I166 WeakPolarHBondContact O-CD1 3.4Å; E162-I166 VanDerWaalsContact O-CG1 3.31Å; E162-I166 WeakPolarHBondContact O-CG1 3.34Å; E162-I166 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.07Å; E164-I166 PolarHBondContact O-N 2.65Å |
| 167 | Y | 97 | Very high | 97.4 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 40% | 0.404 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -103.8 | -28.6 | -168.7 | -61.6 | -80.7 | 0 | 0 | 0 | 114.3 | R121 E163 D169 | R121-Y167 PolarHBondContact NH2-OH 3.4Å; E163-Y167 HydrophobicContact CG-CD2 4.14Å; E163-Y167 VanDerWaalsContact O-CD2 3.3Å; E163-Y167 WeakPolarHBondContact O-CD2 3.39Å; E163-Y167 PolarHBondContact O-N 2.75Å; Y167-D169 VanDerWaalsContact C-N 3.27Å; Y167-D169 WeakPolarHBondContact CB-OD1 3.34Å; Y167-D169 PolarHBondContact O-N 2.73Å |
| 168 | G | 96.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | trans | 61.3 | 32.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q98 E164 | Q98-G168 PolarHBondContact OE1-O 3.25Å; E164-G168 WeakPolarHBondContact O-CA 3.27Å; E164-G168 PolarHBondContact O-N 3.42Å; E164-G168 WeakPolarHBondContact OE1-CA 3.39Å | ||
| 169 | D | 97.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | trans | -128.1 | 12.9 | -171.9 | 67.1 | 4.5 | 0 | 0 | 0 | 114 | R128 L145 F146 E164 Y167 | R128-D169 IonicContact CZ-OD1 3.55Å; R128-D169 IonicContact CZ-OD2 3.4Å; R128-D169 IonicContact NE-OD1 2.89Å; R128-D169 IonicContact NE-OD2 2.61Å; R128-D169 PolarHBondContact NE-OD2 2.82Å; R128-D169 IonicContact NH2-OD1 2.89Å; R128-D169 PolarHBondContact NH2-OD1 3.12Å; R128-D169 IonicContact NH2-OD2 2.64Å; L145-D169 WeakPolarHBondContact CA-O 3.35Å; L145-D169 HydrophobicContact CD2-CB 4.34Å; L145-D169 WeakPolarHBondContact CD2-O 3.31Å; F146-D169 PolarHBondContact N-O 3.13Å; E164-D169 PolarHBondContact OE2-N 3.31Å; Y167-D169 VanDerWaalsContact C-N 3.27Å; Y167-D169 WeakPolarHBondContact CB-OD1 3.34Å; Y167-D169 PolarHBondContact O-N 2.73Å | ||
| 170 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | F96 Q98 M148 I160 E163 E164 Q172 | F96-V170 VanDerWaalsContact CB-O 3.27Å; F96-V170 WeakPolarHBondContact CB-O 3.41Å; F96-V170 HydrophobicContact CD2-CB 4.44Å; F96-V170 HydrophobicContact CD2-CG1 4.04Å; Q98-V170 WeakPolarHBondContact CG-O 3.33Å; Q98-V170 PolarHBondContact NE2-O 3.47Å; M148-V170 HydrophobicContact CE-CG1 3.72Å; M148-V170 HydrophobicContact CE-CG2 4.22Å; M148-V170 HydrophobicContact CG-CG1 4.25Å; M148-V170 HydrophobicContact SD-CG1 4.2Å; I160-V170 HydrophobicContact CG2-CG1 4.27Å; E163-V170 HydrophobicContact CG-CG2 4.14Å; E164-V170 HydrophobicContact CB-CB 4.39Å; E164-V170 WeakPolarHBondContact OE2-CA 3.25Å; E164-V170 VanDerWaalsContact OE2-CB 3.3Å; E164-V170 WeakPolarHBondContact OE2-CB 3.41Å; E164-V170 PolarHBondContact OE2-N 2.79Å; V170-Q172 HydrophobicContact CG1-CB 4.21Å |
| 171 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.7 | 163.6 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | F94 F96 Q98 L145 F146 F147 M148 W192 | F94-V171 HydrophobicContact CD1-CG1 3.87Å; F94-V171 HydrophobicContact CE1-CG1 3.79Å; F96-V171 WeakPolarHBondContact O-CA 3.39Å; Q98-V171 HydrophobicContact CB-CG2 3.86Å; Q98-V171 HydrophobicContact CG-CG2 3.58Å; L145-V171 HydrophobicContact CB-CG2 4.27Å; L145-V171 HydrophobicContact CD1-CG2 3.92Å; L145-V171 HydrophobicContact CD2-CG2 4.32Å; L145-V171 HydrophobicContact CG-CG2 4.41Å; F146-V171 PolarHBondContact O-N 2.63Å; F147-V171 WeakPolarHBondContact CA-O 3.2Å; F147-V171 HydrophobicContact CD1-CB 3.69Å; F147-V171 HydrophobicContact CD1-CG1 3.7Å; F147-V171 HydrophobicContact CD1-CG2 4.4Å; F147-V171 HydrophobicContact CE1-CB 3.65Å; F147-V171 HydrophobicContact CE1-CG1 3.53Å; F147-V171 HydrophobicContact CE1-CG2 3.92Å; F147-V171 HydrophobicContact CE2-CG2 4.37Å; F147-V171 HydrophobicContact CG-CB 4.18Å; F147-V171 HydrophobicContact CZ-CB 4.1Å; F147-V171 HydrophobicContact CZ-CG1 4.34Å; F147-V171 HydrophobicContact CZ-CG2 3.89Å; M148-V171 PolarHBondContact N-O 3.12Å; M148-V171 VanDerWaalsContact N-O 3.16Å; V171-W192 HydrophobicContact CG1-CG 4.24Å |
| 172 | Q | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.5 | -178.2 | -168.9 | 176.8 | 48.1 | 0 | 0 | 111.4 | F94 I95 F96 M148 G149 V170 | F94-Q172 CarbonylContact C-O 3.56Å; F94-Q172 WeakPolarHBondContact CA-O 3.21Å; I95-Q172 HydrophobicContact CB-CB 4.25Å; I95-Q172 HydrophobicContact CB-CG 4.38Å; I95-Q172 PolarHBondContact N-O 2.99Å; F96-Q172 HydrophobicContact CB-CB 4.35Å; F96-Q172 HydrophobicContact CD2-CB 3.61Å; F96-Q172 HydrophobicContact CE2-CB 4.31Å; F96-Q172 VanDerWaalsContact CE2-OE1 3.31Å; F96-Q172 HydrophobicContact CG-CB 4.33Å; F96-Q172 PolarHBondContact N-O 2.89Å; F96-Q172 PolarHBondContact O-N 3.5Å; M148-Q172 HydrophobicContact CG-CB 4.43Å; M148-Q172 HydrophobicContact CG-CG 4.17Å; M148-Q172 WeakPolarHBondContact O-CA 3.29Å; G149-Q172 PolarHBondContact O-NE2 3.19Å; V170-Q172 HydrophobicContact CG1-CB 4.21Å |
| 173 | R | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.8 | 176.3 | -162.2 | 71.5 | 163.8 | 133.8 | 13.4 | 109.7 | E90 S92 F94 M148 G149 F175 T188 E191 | E90-R173 HydrophobicContact CG-CG 3.68Å; E90-R173 PolarHBondContact O-NH2 2.84Å; S92-R173 PolarHBondContact O-NH1 2.96Å; S92-R173 PolarHBondContact O-NH2 2.86Å; F94-R173 VanDerWaalsContact N-NH1 3.18Å; M148-R173 PolarHBondContact O-N 3.08Å; M148-R173 VanDerWaalsContact O-N 3.13Å; G149-R173 WeakPolarHBondContact CA-O 2.99Å; R173-F175 HydrophobicContact CB-CD1 3.7Å; R173-F175 HydrophobicContact CB-CE1 3.61Å; R173-F175 HydrophobicContact CG-CD1 3.71Å; R173-F175 HydrophobicContact CG-CE1 3.94Å; R173-F175 PolarHBondContact O-N 3.45Å; R173-T188 HydrophobicContact CB-CG2 3.88Å; R173-T188 HydrophobicContact CG-CG2 4.11Å; R173-E191 IonicContact CZ-OE2 3.57Å; R173-E191 IonicContact NE-OE2 2.76Å; R173-E191 PolarHBondContact NE-OE2 3.44Å; R173-E191 IonicContact NH2-OE1 3.57Å; R173-E191 IonicContact NH2-OE2 2.73Å; R173-E191 PolarHBondContact NH2-OE2 3.07Å; R173-E191 VanDerWaalsContact NH2-OE2 3.07Å |
| 174 | A | 97.1 | Very high | 96.2 | Very high | 31 Ų | 31 | 51 Ų | 51 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 50 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S92 D93 I95 L150 | S92-A174 WeakPolarHBondContact CB-O 3.26Å; S92-A174 PolarHBondContact OG-N 3.44Å; S92-A174 PolarHBondContact OG-O 2.9Å; D93-A174 WeakPolarHBondContact O-CB 3.05Å; D93-A174 PolarHBondContact O-N 3.42Å; I95-A174 HydrophobicContact CD1-CB 3.9Å; I95-A174 HydrophobicContact CG1-CB 3.99Å; L150-A174 HydrophobicContact CD1-CB 4.1Å |
| 175 | F | 96.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.7 | 165.8 | 67.2 | -100.4 | 0 | 0 | 0 | 110.1 | E90 G149 L150 R173 E177 N181 R184 K185 | E90-F175 HydrophobicContact CG-CD1 4.08Å; E90-F175 WeakPolarHBondContact OE2-CB 3.34Å; G149-F175 CarbonylContact C-O 3.17Å; G149-F175 VanDerWaalsContact CA-O 3.31Å; G149-F175 WeakPolarHBondContact CA-O 3.34Å; L150-F175 PolarHBondContact N-O 2.85Å; R173-F175 HydrophobicContact CB-CD1 3.7Å; R173-F175 HydrophobicContact CB-CE1 3.61Å; R173-F175 HydrophobicContact CG-CD1 3.71Å; R173-F175 HydrophobicContact CG-CE1 3.94Å; R173-F175 PolarHBondContact O-N 3.45Å; F175-E177 PolarHBondContact O-N 3.21Å; F175-N181 HydrophobicContact CD2-CB 4.07Å; F175-N181 HydrophobicContact CE2-CB 4.15Å; F175-R184 HydrophobicContact CD1-CB 4.19Å; F175-R184 HydrophobicContact CE1-CB 4.14Å; F175-R184 HydrophobicContact CG-CB 4.41Å; F175-R184 HydrophobicContact CZ-CB 4.35Å; F175-K185 HydrophobicContact CE2-CB 4.47Å; F175-K185 HydrophobicContact CZ-CB 3.75Å; F175-K185 HydrophobicContact CZ-CG 4.28Å |
| 176 | L | 96.7 | Very high | 96.2 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 45% | 0.445 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.5 | 177.4 | 179 | 64.2 | 0 | 0 | 0 | 110.7 | N152 N178 N181 | N152-L176 HydrophobicContact CB-CD1 3.75Å; L176-N178 PolarHBondContact O-N 3.05Å; L176-N181 PolarHBondContact O-ND2 3.21Å |
| 177 | E | 95.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | trans | -62.8 | 123.1 | 177.5 | -169.5 | 66.5 | -98.6 | 0 | 0 | 110.7 | H117 P118 M148 G149 L150 F175 K185 | H117-E177 WeakPolarHBondContact CD2-CG 3.47Å; P118-E177 HydrophobicContact CG-CB 4.31Å; M148-E177 WeakPolarHBondContact CA-OE2 3.48Å; G149-E177 PolarHBondContact N-OE2 2.95Å; L150-E177 VanDerWaalsContact O-CB 3.26Å; L150-E177 WeakPolarHBondContact O-CB 3.28Å; L150-E177 PolarHBondContact O-N 3.04Å; F175-E177 PolarHBondContact O-N 3.21Å; E177-K185 WeakPolarHBondContact OE1-CE 3.45Å; E177-K185 IonicContact OE1-NZ 3.15Å; E177-K185 PolarHBondContact OE1-NZ 3.27Å; E177-K185 WeakPolarHBondContact OE2-CE 3.36Å; E177-K185 IonicContact OE2-NZ 3.87Å; E177-K185 PolarHBondContact OE2-NZ 3.01Å | ||
| 178 | N | 92.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 31% | 0.305 | 15% | 0.148 | S | C | . | . | trans | -162.7 | 165.7 | 170.2 | 67.5 | 51.2 | 0 | 0 | 0 | 110.2 | L176 Y180 N181 | L176-N178 PolarHBondContact O-N 3.05Å; N178-Y180 VanDerWaalsContact C-N 3.34Å; N178-Y180 PolarHBondContact O-N 3.2Å; N178-Y180 WeakPolarHBondContact OD1-CA 3.31Å; N178-Y180 PolarHBondContact OD1-N 3.05Å; N178-N181 PolarHBondContact ND2-ND2 3.47Å; N178-N181 PolarHBondContact O-N 2.95Å; N178-N181 VanDerWaalsContact O-N 3.08Å; N178-N181 VanDerWaalsContact OD1-CB 3.3Å; N178-N181 WeakPolarHBondContact OD1-CB 3.24Å; N178-N181 PolarHBondContact OD1-N 2.64Å; N178-N181 PolarHBondContact OD1-ND2 3.14Å | ||
| 179 | Y | 88.5 | Confident | 96.3 | Very high | 82 Ų | 82 | 29.3 Ų | 29.3 | 32% | 0.322 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -61 | -38 | -177.3 | -167.5 | -112.7 | 0 | 0 | 0 | 113.7 | N181 M182 W254 W296 | Y179-N181 PolarHBondContact O-N 2.82Å; Y179-M182 HydrophobicContact CD2-CE 4.34Å; Y179-M182 WeakPolarHBondContact O-CB 3.21Å; Y179-M182 PolarHBondContact O-N 3.33Å; Y179-W254 HydrophobicContact CE1-CZ3 4.27Å; Y179-W254 HydrophobicContact CE2-CH2 4.35Å; Y179-W254 HydrophobicContact CE2-CZ3 4.39Å; Y179-W254 AromaticContact CZ-CH2 3.84Å; Y179-W254 AromaticContact CZ-CZ3 3.62Å; Y179-W254 WeakPolarHBondContact OH-CH2 3.38Å; Y179-W254 WeakPolarHBondContact OH-CZ2 3.32Å; Y179-W254 WeakPolarHBondContact OH-CZ3 3.12Å; Y179-W296 HydrophobicContact CD1-CE3 4.12Å; Y179-W296 HydrophobicContact CD1-CH2 4.18Å; Y179-W296 AromaticContact CD1-CZ3 3.55Å; Y179-W296 HydrophobicContact CD1-CZ3 3.55Å; Y179-W296 HydrophobicContact CE1-CE3 4.07Å; Y179-W296 AromaticContact CE1-CH2 3.47Å; Y179-W296 HydrophobicContact CE1-CH2 3.47Å; Y179-W296 VanDerWaalsContact CE1-CH2 3.47Å; Y179-W296 AromaticContact CE1-CZ3 3.07Å; Y179-W296 HydrophobicContact CE1-CZ3 3.07Å; Y179-W296 AromaticContact CZ-CZ3 3.8Å |
| 180 | Y | 92.1 | Very high | 96.3 | Very high | 155 Ų | 155 | 29 Ų | 29 | 61% | 0.608 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -72 | -14.5 | 177.8 | -67.2 | -76.5 | 0 | 0 | 0 | 113.6 | N178 W296 | N178-Y180 VanDerWaalsContact C-N 3.34Å; N178-Y180 PolarHBondContact O-N 3.2Å; N178-Y180 WeakPolarHBondContact OD1-CA 3.31Å; N178-Y180 PolarHBondContact OD1-N 3.05Å; Y180-W296 HydrophobicContact CD1-CB 4.12Å; Y180-W296 AromaticContact CD1-CD2 3.88Å; Y180-W296 HydrophobicContact CD1-CD2 3.88Å; Y180-W296 HydrophobicContact CD1-CE3 4.32Å; Y180-W296 AromaticContact CD1-CG 3.78Å; Y180-W296 HydrophobicContact CD1-CG 3.78Å; Y180-W296 HydrophobicContact CE1-CD2 4.19Å; Y180-W296 HydrophobicContact CE1-CG 4.37Å; Y180-W296 WeakPolarHBondContact O-CB 3.38Å |
| 181 | N | 95.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -95.2 | 8.6 | 177 | -74.7 | -20.4 | 0 | 0 | 0 | 112.6 | F175 L176 N178 Y179 T183 R184 K185 | F175-N181 HydrophobicContact CD2-CB 4.07Å; F175-N181 HydrophobicContact CE2-CB 4.15Å; L176-N181 PolarHBondContact O-ND2 3.21Å; N178-N181 PolarHBondContact ND2-ND2 3.47Å; N178-N181 PolarHBondContact O-N 2.95Å; N178-N181 VanDerWaalsContact O-N 3.08Å; N178-N181 VanDerWaalsContact OD1-CB 3.3Å; N178-N181 WeakPolarHBondContact OD1-CB 3.24Å; N178-N181 PolarHBondContact OD1-N 2.64Å; N178-N181 PolarHBondContact OD1-ND2 3.14Å; Y179-N181 PolarHBondContact O-N 2.82Å; N181-T183 PolarHBondContact O-N 3.27Å; N181-R184 WeakPolarHBondContact O-CA 3.36Å; N181-R184 WeakPolarHBondContact O-CB 3.24Å; N181-R184 PolarHBondContact O-N 3.03Å; N181-R184 PolarHBondContact OD1-NH1 2.86Å; N181-K185 PolarHBondContact O-N 3.35Å; N181-K185 VanDerWaalsContact O-N 3.1Å |
| 182 | M | 95.4 | Very high | 96 | Very high | 38 Ų | 38 | 29 Ų | 29 | 19% | 0.187 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57 | -39.3 | -179.7 | -158.6 | 65.8 | 70.6 | 0 | 0 | 112.1 | Y179 R184 K185 H186 D298 | Y179-M182 HydrophobicContact CD2-CE 4.34Å; Y179-M182 WeakPolarHBondContact O-CB 3.21Å; Y179-M182 PolarHBondContact O-N 3.33Å; M182-R184 VanDerWaalsContact C-N 3.31Å; M182-R184 PolarHBondContact O-N 2.83Å; M182-K185 CarbonylContact O-C 3.45Å; M182-K185 WeakPolarHBondContact O-CA 3.48Å; M182-K185 VanDerWaalsContact O-CB 3.3Å; M182-K185 WeakPolarHBondContact O-CB 3.39Å; M182-K185 PolarHBondContact O-N 2.92Å; M182-K185 HydrophobicContact SD-CD 4.07Å; M182-H186 PolarHBondContact O-N 3Å; M182-D298 HydrophobicContact CB-CB 4.05Å; M182-D298 HydrophobicContact CG-CB 3.83Å; M182-D298 WeakPolarHBondContact CG-OD2 3.43Å |
| 183 | T | 96.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | N181 K185 H186 I187 P294 I295 W296 D298 Y301 | N181-T183 PolarHBondContact O-N 3.27Å; T183-K185 VanDerWaalsContact C-N 3.32Å; T183-H186 PolarHBondContact O-N 2.97Å; T183-I187 HydrophobicContact CG2-CG1 4.27Å; T183-I187 VanDerWaalsContact O-CB 3.32Å; T183-I187 WeakPolarHBondContact O-CB 3.42Å; T183-I187 VanDerWaalsContact O-CG1 3.23Å; T183-I187 WeakPolarHBondContact O-CG1 3.22Å; T183-I187 PolarHBondContact O-N 2.85Å; T183-P294 HydrophobicContact CG2-CB 4.2Å; T183-I295 VanDerWaalsContact CB-O 3.3Å; T183-I295 WeakPolarHBondContact CB-O 3.25Å; T183-I295 PolarHBondContact OG1-O 3.41Å; T183-W296 PolarHBondContact OG1-O 2.87Å; T183-D298 WeakPolarHBondContact OG1-CA 3.42Å; T183-Y301 HydrophobicContact CG2-CD1 3.34Å; T183-Y301 HydrophobicContact CG2-CE1 3.81Å; T183-Y301 HydrophobicContact CG2-CG 3.92Å |
| 184 | R | 97.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 29.1 Ų | 29.1 | 36% | 0.362 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 173.9 | -66.5 | 178.9 | 165.8 | 143.9 | -5.7 | 110.7 | I89 E90 F175 N181 M182 T188 | I89-R184 HydrophobicContact CG2-CB 4.47Å; I89-R184 HydrophobicContact CG2-CG 3.77Å; I89-R184 PolarHBondContact O-NE 3.07Å; E90-R184 IonicContact OE2-NE 3.24Å; F175-R184 HydrophobicContact CD1-CB 4.19Å; F175-R184 HydrophobicContact CE1-CB 4.14Å; F175-R184 HydrophobicContact CG-CB 4.41Å; F175-R184 HydrophobicContact CZ-CB 4.35Å; N181-R184 WeakPolarHBondContact O-CA 3.36Å; N181-R184 WeakPolarHBondContact O-CB 3.24Å; N181-R184 PolarHBondContact O-N 3.03Å; N181-R184 PolarHBondContact OD1-NH1 2.86Å; M182-R184 VanDerWaalsContact C-N 3.31Å; M182-R184 PolarHBondContact O-N 2.83Å; R184-T188 WeakPolarHBondContact O-CB 3.44Å; R184-T188 PolarHBondContact O-N 2.93Å; R184-T188 PolarHBondContact O-OG1 3.02Å |
| 185 | K | 97.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.3 | -168.1 | -174.3 | -58.8 | -176 | 0 | 112.2 | H115 T116 F175 E177 N181 M182 T183 I187 T188 I189 | H115-K185 HydrophobicContact CB-CD 4.18Å; T116-K185 PolarHBondContact O-NZ 2.94Å; F175-K185 HydrophobicContact CE2-CB 4.47Å; F175-K185 HydrophobicContact CZ-CB 3.75Å; F175-K185 HydrophobicContact CZ-CG 4.28Å; E177-K185 WeakPolarHBondContact OE1-CE 3.45Å; E177-K185 IonicContact OE1-NZ 3.15Å; E177-K185 PolarHBondContact OE1-NZ 3.27Å; E177-K185 WeakPolarHBondContact OE2-CE 3.36Å; E177-K185 IonicContact OE2-NZ 3.87Å; E177-K185 PolarHBondContact OE2-NZ 3.01Å; N181-K185 PolarHBondContact O-N 3.35Å; N181-K185 VanDerWaalsContact O-N 3.1Å; M182-K185 CarbonylContact O-C 3.45Å; M182-K185 WeakPolarHBondContact O-CA 3.48Å; M182-K185 VanDerWaalsContact O-CB 3.3Å; M182-K185 WeakPolarHBondContact O-CB 3.39Å; M182-K185 PolarHBondContact O-N 2.92Å; M182-K185 HydrophobicContact SD-CD 4.07Å; T183-K185 VanDerWaalsContact C-N 3.32Å; K185-I187 PolarHBondContact O-N 3.47Å; K185-T188 WeakPolarHBondContact O-CB 3.22Å; K185-T188 PolarHBondContact O-N 2.61Å; K185-T188 VanDerWaalsContact O-N 3.12Å; K185-I189 PolarHBondContact O-N 3.4Å |
| 186 | H | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | -179.6 | -161.6 | 172.9 | 0 | 0 | 0 | 112 | M182 T183 T188 I189 M190 Y275 D298 V302 | M182-H186 PolarHBondContact O-N 3Å; T183-H186 PolarHBondContact O-N 2.97Å; H186-T188 PolarHBondContact O-N 3.33Å; H186-I189 WeakPolarHBondContact O-CB 3.46Å; H186-I189 PolarHBondContact O-N 3.33Å; H186-I189 VanDerWaalsContact O-N 3.14Å; H186-M190 PolarHBondContact O-N 3.21Å; H186-Y275 AromaticContact CE1-CE1 3.82Å; H186-Y275 AromaticContact NE2-CE1 3.69Å; H186-Y275 AromaticContact NE2-CZ 3.66Å; H186-Y275 PolarHBondContact NE2-OH 2.98Å; H186-D298 HydrophobicContact CB-CB 3.84Å; H186-D298 IonicContact CG-OD2 3.44Å; H186-D298 IonicContact ND1-OD2 3.96Å; H186-D298 PolarHBondContact ND1-OD2 2.63Å; H186-V302 HydrophobicContact CB-CG2 4.06Å; H186-V302 WeakPolarHBondContact ND1-CG2 3.38Å |
| 187 | I | 97.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -30.1 | 174.1 | -68 | -63.7 | 0 | 0 | 0 | 111.6 | I89 T183 K185 I189 M190 E191 Y286 Y301 V302 L306 | I89-I187 HydrophobicContact CB-CG2 4.45Å; I89-I187 HydrophobicContact CD1-CD1 4.42Å; I89-I187 HydrophobicContact CD1-CG1 3.91Å; I89-I187 HydrophobicContact CD1-CG2 4.45Å; T183-I187 HydrophobicContact CG2-CG1 4.27Å; T183-I187 VanDerWaalsContact O-CB 3.32Å; T183-I187 WeakPolarHBondContact O-CB 3.42Å; T183-I187 VanDerWaalsContact O-CG1 3.23Å; T183-I187 WeakPolarHBondContact O-CG1 3.22Å; T183-I187 PolarHBondContact O-N 2.85Å; K185-I187 PolarHBondContact O-N 3.47Å; I187-I189 VanDerWaalsContact C-N 3.31Å; I187-I189 PolarHBondContact O-N 3.03Å; I187-M190 PolarHBondContact O-N 2.92Å; I187-M190 VanDerWaalsContact O-N 3.15Å; I187-E191 WeakPolarHBondContact O-CB 3.37Å; I187-E191 PolarHBondContact O-N 2.93Å; I187-Y286 HydrophobicContact CG2-CD2 3.95Å; I187-Y286 HydrophobicContact CG2-CE2 4.23Å; I187-Y301 HydrophobicContact CD1-CD1 4.4Å; I187-Y301 HydrophobicContact CD1-CE1 4.03Å; I187-Y301 HydrophobicContact CG1-CD1 4.49Å; I187-Y301 HydrophobicContact CG1-CE1 4.2Å; I187-V302 HydrophobicContact CD1-CG2 3.79Å; I187-V302 HydrophobicContact CG1-CG2 4.27Å; I187-L306 HydrophobicContact CD1-CD1 3.97Å |
| 188 | T | 97.3 | Very high | 94 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 172.9 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | F94 F147 R173 R184 K185 H186 E191 W192 | F94-T188 HydrophobicContact CE1-CG2 3.55Å; F94-T188 HydrophobicContact CZ-CG2 4.03Å; F147-T188 HydrophobicContact CD1-CG2 4.34Å; R173-T188 HydrophobicContact CB-CG2 3.88Å; R173-T188 HydrophobicContact CG-CG2 4.11Å; R184-T188 WeakPolarHBondContact O-CB 3.44Å; R184-T188 PolarHBondContact O-N 2.93Å; R184-T188 PolarHBondContact O-OG1 3.02Å; K185-T188 WeakPolarHBondContact O-CB 3.22Å; K185-T188 PolarHBondContact O-N 2.61Å; K185-T188 VanDerWaalsContact O-N 3.12Å; H186-T188 PolarHBondContact O-N 3.33Å; T188-E191 PolarHBondContact O-N 3.08Å; T188-W192 WeakPolarHBondContact O-CB 3.38Å; T188-W192 PolarHBondContact O-N 3.14Å |
| 189 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 173.3 | -61.6 | 170.5 | 0 | 0 | 0 | 110.1 | A113 H115 F147 K185 H186 I187 E191 W192 I193 L204 K206 | A113-I189 HydrophobicContact CB-CD1 3.75Å; A113-I189 HydrophobicContact CB-CG1 4.2Å; A113-I189 HydrophobicContact CB-CG2 3.92Å; H115-I189 VanDerWaalsContact CD2-CD1 3.43Å; H115-I189 WeakPolarHBondContact CD2-CD1 3.43Å; H115-I189 WeakPolarHBondContact NE2-CD1 3.4Å; F147-I189 HydrophobicContact CB-CG1 4.16Å; F147-I189 HydrophobicContact CD1-CB 4.43Å; F147-I189 HydrophobicContact CD1-CG1 3.56Å; F147-I189 HydrophobicContact CD2-CD1 4.37Å; F147-I189 HydrophobicContact CD2-CG1 3.93Å; F147-I189 HydrophobicContact CE1-CB 4.26Å; F147-I189 HydrophobicContact CE1-CG1 3.82Å; F147-I189 HydrophobicContact CE2-CG1 4.17Å; F147-I189 HydrophobicContact CG-CD1 4.3Å; F147-I189 HydrophobicContact CG-CG1 3.61Å; F147-I189 HydrophobicContact CZ-CG1 4.13Å; F147-I189 HydrophobicContact CZ-CG2 4.39Å; K185-I189 PolarHBondContact O-N 3.4Å; H186-I189 WeakPolarHBondContact O-CB 3.46Å; H186-I189 PolarHBondContact O-N 3.33Å; H186-I189 VanDerWaalsContact O-N 3.14Å; I187-I189 VanDerWaalsContact C-N 3.31Å; I187-I189 PolarHBondContact O-N 3.03Å; I189-E191 VanDerWaalsContact C-N 3.35Å; I189-E191 PolarHBondContact O-N 2.93Å; I189-W192 PolarHBondContact O-N 3.11Å; I189-I193 HydrophobicContact CG2-CD1 3.8Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.3Å; I189-I193 PolarHBondContact O-N 2.85Å; I189-L204 HydrophobicContact CG2-CD1 4.3Å; I189-L204 HydrophobicContact CG2-CD2 4.07Å; I189-K206 HydrophobicContact CD1-CG 4.25Å |
| 190 | M | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | -179.5 | -57.4 | -58 | 122.7 | 0 | 0 | 111 | H186 I187 S194 L204 Y275 M277 A282 L285 V302 | H186-M190 PolarHBondContact O-N 3.21Å; I187-M190 PolarHBondContact O-N 2.92Å; I187-M190 VanDerWaalsContact O-N 3.15Å; M190-S194 WeakPolarHBondContact O-CB 3.45Å; M190-S194 PolarHBondContact O-N 3.36Å; M190-L204 HydrophobicContact CE-CD2 3.73Å; M190-Y275 WeakPolarHBondContact CE-OH 3.39Å; M190-M277 HydrophobicContact CE-CE 4.41Å; M190-M277 HydrophobicContact SD-CE 3.98Å; M190-M277 HydrophobicContact SD-SD 4.46Å; M190-A282 HydrophobicContact SD-CB 3.81Å; M190-L285 HydrophobicContact CG-CB 4.27Å; M190-L285 HydrophobicContact SD-CB 4.26Å; M190-L285 HydrophobicContact SD-CD1 3.83Å; M190-V302 HydrophobicContact CG-CG1 4.4Å |
| 191 | E | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 174.9 | -179.4 | 172.5 | -162.2 | 0 | 0 | 111.1 | K58 F94 R173 I187 T188 I189 I193 S194 Q195 Y286 | K58-E191 IonicContact NZ-OE1 3.93Å; K58-E191 PolarHBondContact NZ-OE1 3.07Å; F94-E191 HydrophobicContact CE2-CG 4.34Å; F94-E191 HydrophobicContact CZ-CG 4.3Å; R173-E191 IonicContact CZ-OE2 3.57Å; R173-E191 IonicContact NE-OE2 2.76Å; R173-E191 PolarHBondContact NE-OE2 3.44Å; R173-E191 IonicContact NH2-OE1 3.57Å; R173-E191 IonicContact NH2-OE2 2.73Å; R173-E191 PolarHBondContact NH2-OE2 3.07Å; R173-E191 VanDerWaalsContact NH2-OE2 3.07Å; I187-E191 WeakPolarHBondContact O-CB 3.37Å; I187-E191 PolarHBondContact O-N 2.93Å; T188-E191 PolarHBondContact O-N 3.08Å; I189-E191 VanDerWaalsContact C-N 3.35Å; I189-E191 PolarHBondContact O-N 2.93Å; E191-I193 PolarHBondContact O-N 3.49Å; E191-S194 WeakPolarHBondContact CA-OG 3.21Å; E191-S194 CarbonylContact O-C 3.56Å; E191-S194 WeakPolarHBondContact O-CA 3.32Å; E191-S194 WeakPolarHBondContact O-CB 3.14Å; E191-S194 PolarHBondContact O-N 3.47Å; E191-S194 VanDerWaalsContact O-N 3.1Å; E191-S194 PolarHBondContact O-OG 3.32Å; E191-Q195 WeakPolarHBondContact O-CG 3.35Å; E191-Q195 PolarHBondContact O-N 3.11Å; E191-Q195 PolarHBondContact O-NE2 3.18Å; E191-Y286 HydrophobicContact CB-CD2 3.69Å; E191-Y286 HydrophobicContact CB-CE1 4.39Å; E191-Y286 HydrophobicContact CB-CE2 3.48Å; E191-Y286 VanDerWaalsContact CB-CE2 3.48Å; E191-Y286 HydrophobicContact CB-CG 4.26Å; E191-Y286 VanDerWaalsContact CD-OH 3.32Å; E191-Y286 HydrophobicContact CG-CD2 4.34Å; E191-Y286 HydrophobicContact CG-CE1 4.07Å; E191-Y286 HydrophobicContact CG-CE2 3.71Å; E191-Y286 PolarHBondContact OE1-OH 3.43Å; E191-Y286 VanDerWaalsContact OE1-OH 3.05Å |
| 192 | W | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | -177.4 | -176.4 | 91.7 | 0 | 0 | 0 | 111.6 | F94 S97 Q98 L111 L145 F147 V171 T188 I189 S194 Q195 Y197 C198 | F94-W192 HydrophobicContact CE1-CB 4.24Å; F94-W192 AromaticContact CE1-CD1 3.9Å; F94-W192 HydrophobicContact CZ-CB 4.15Å; S97-W192 PolarHBondContact O-NE1 2.84Å; Q98-W192 HydrophobicContact CB-CZ2 3.93Å; L111-W192 HydrophobicContact CD2-CE3 4.37Å; L111-W192 HydrophobicContact CD2-CH2 4.34Å; L111-W192 HydrophobicContact CD2-CZ3 3.59Å; L145-W192 HydrophobicContact CD1-CH2 3.39Å; L145-W192 HydrophobicContact CD1-CZ2 3.5Å; L145-W192 VanDerWaalsContact CD1-CZ2 3.5Å; L145-W192 HydrophobicContact CD1-CZ3 4.03Å; F147-W192 HydrophobicContact CE1-CB 3.96Å; F147-W192 HydrophobicContact CE1-CD2 4.42Å; F147-W192 HydrophobicContact CE1-CG 4.03Å; F147-W192 HydrophobicContact CZ-CB 4.49Å; F147-W192 HydrophobicContact CZ-CD2 4.2Å; F147-W192 HydrophobicContact CZ-CE3 4.26Å; F147-W192 HydrophobicContact CZ-CG 4.29Å; V171-W192 HydrophobicContact CG1-CG 4.24Å; T188-W192 WeakPolarHBondContact O-CB 3.38Å; T188-W192 PolarHBondContact O-N 3.14Å; I189-W192 PolarHBondContact O-N 3.11Å; W192-S194 VanDerWaalsContact C-N 3.27Å; W192-S194 PolarHBondContact O-N 3.42Å; W192-Q195 VanDerWaalsContact O-CB 3.3Å; W192-Q195 WeakPolarHBondContact O-CB 3.4Å; W192-Q195 PolarHBondContact O-N 2.99Å; W192-Q195 VanDerWaalsContact O-N 3.13Å; W192-Y197 HydrophobicContact CD2-CD2 4.35Å; W192-Y197 AromaticContact CE2-CD2 3.88Å; W192-Y197 HydrophobicContact CZ2-CD2 4.07Å; W192-Y197 AromaticContact NE1-CD2 3.97Å; W192-C198 WeakPolarHBondContact CH2-SG 3.43Å; W192-C198 WeakPolarHBondContact CZ3-SG 3.31Å |
| 193 | I | 94.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.7 | -64.7 | 169.9 | 0 | 0 | 0 | 110.1 | L111 I189 E191 Q195 G196 L204 M279 A282 | L111-I193 HydrophobicContact CD2-CG1 4.45Å; I189-I193 HydrophobicContact CG2-CD1 3.8Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.3Å; I189-I193 PolarHBondContact O-N 2.85Å; E191-I193 PolarHBondContact O-N 3.49Å; I193-Q195 PolarHBondContact O-N 2.96Å; I193-G196 PolarHBondContact O-N 3.22Å; I193-L204 HydrophobicContact CD1-CB 4.48Å; I193-L204 HydrophobicContact CD1-CD1 3.8Å; I193-L204 HydrophobicContact CD1-CD2 3.64Å; I193-L204 HydrophobicContact CD1-CG 4.18Å; I193-M279 HydrophobicContact CD1-CG 4.05Å; I193-M279 HydrophobicContact CD1-SD 4.26Å; I193-M279 HydrophobicContact CG1-SD 4.49Å; I193-M279 HydrophobicContact CG2-CE 3.94Å; I193-M279 HydrophobicContact CG2-CG 3.71Å; I193-M279 HydrophobicContact CG2-SD 4.13Å; I193-A282 HydrophobicContact CB-CB 3.78Å; I193-A282 HydrophobicContact CD1-CB 4.05Å; I193-A282 HydrophobicContact CG2-CB 3.56Å |
| 194 | S | 92.1 | Very high | 94 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -24.1 | 177.5 | 89.8 | 0 | 0 | 0 | 0 | 112.6 | H62 M190 E191 W192 G196 Y286 | H62-S194 VanDerWaalsContact CE1-CB 3.4Å; H62-S194 WeakPolarHBondContact CE1-CB 3.41Å; H62-S194 PolarHBondContact CE1-O 2.96Å; H62-S194 PolarHBondContact ND1-O 3.41Å; M190-S194 WeakPolarHBondContact O-CB 3.45Å; M190-S194 PolarHBondContact O-N 3.36Å; E191-S194 WeakPolarHBondContact CA-OG 3.21Å; E191-S194 CarbonylContact O-C 3.56Å; E191-S194 WeakPolarHBondContact O-CA 3.32Å; E191-S194 WeakPolarHBondContact O-CB 3.14Å; E191-S194 PolarHBondContact O-N 3.47Å; E191-S194 VanDerWaalsContact O-N 3.1Å; E191-S194 PolarHBondContact O-OG 3.32Å; W192-S194 VanDerWaalsContact C-N 3.27Å; W192-S194 PolarHBondContact O-N 3.42Å; S194-G196 PolarHBondContact O-N 3.3Å; S194-Y286 VanDerWaalsContact OG-CD1 3.32Å; S194-Y286 WeakPolarHBondContact OG-CD1 3.47Å |
| 195 | Q | 90 | Very high | 94 | Very high | 25 Ų | 25 | 18.9 Ų | 18.9 | 12% | 0.117 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.9 | 173.5 | -58.7 | -54.7 | -45 | 0 | 0 | 112.7 | N65 E191 W192 I193 Y197 | N65-Q195 WeakPolarHBondContact CB-O 3.5Å; N65-Q195 PolarHBondContact ND2-O 3.08Å; E191-Q195 WeakPolarHBondContact O-CG 3.35Å; E191-Q195 PolarHBondContact O-N 3.11Å; E191-Q195 PolarHBondContact O-NE2 3.18Å; W192-Q195 VanDerWaalsContact O-CB 3.3Å; W192-Q195 WeakPolarHBondContact O-CB 3.4Å; W192-Q195 PolarHBondContact O-N 2.99Å; W192-Q195 VanDerWaalsContact O-N 3.13Å; I193-Q195 PolarHBondContact O-N 2.96Å; Q195-Y197 HydrophobicContact CB-CD1 4.28Å; Q195-Y197 HydrophobicContact CB-CD2 3.83Å; Q195-Y197 HydrophobicContact CB-CE1 3.88Å; Q195-Y197 HydrophobicContact CB-CE2 3.4Å; Q195-Y197 VanDerWaalsContact CB-CE2 3.4Å; Q195-Y197 HydrophobicContact CB-CG 4.25Å; Q195-Y197 VanDerWaalsContact CB-CZ 3.42Å; Q195-Y197 HydrophobicContact CG-CE2 3.79Å |
| 196 | G | 86.8 | Confident | 94 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 9% | 0.093 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 22.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | I193 S194 C198 N199 | I193-G196 PolarHBondContact O-N 3.22Å; S194-G196 PolarHBondContact O-N 3.3Å; G196-C198 PolarHBondContact O-N 3.23Å; G196-N199 WeakPolarHBondContact CA-OD1 3.12Å; G196-N199 PolarHBondContact O-ND2 2.9Å; G196-N199 PolarHBondContact O-OD1 3.43Å |
| 197 | Y | 85.5 | Confident | 93.9 | Very high | 67 Ų | 67 | 18.7 Ų | 18.7 | 26% | 0.263 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.8 | 173.2 | -53.6 | -42 | 0 | 0 | 0 | 112.4 | S99 C102 W192 Q195 | S99-Y197 VanDerWaalsContact CB-CZ 3.47Å; S99-Y197 WeakPolarHBondContact O-CD1 3.38Å; C102-Y197 WeakPolarHBondContact CB-O 3.32Å; W192-Y197 HydrophobicContact CD2-CD2 4.35Å; W192-Y197 AromaticContact CE2-CD2 3.88Å; W192-Y197 HydrophobicContact CZ2-CD2 4.07Å; W192-Y197 AromaticContact NE1-CD2 3.97Å; Q195-Y197 HydrophobicContact CB-CD1 4.28Å; Q195-Y197 HydrophobicContact CB-CD2 3.83Å; Q195-Y197 HydrophobicContact CB-CE1 3.88Å; Q195-Y197 HydrophobicContact CB-CE2 3.4Å; Q195-Y197 VanDerWaalsContact CB-CE2 3.4Å; Q195-Y197 HydrophobicContact CB-CG 4.25Å; Q195-Y197 VanDerWaalsContact CB-CZ 3.42Å; Q195-Y197 HydrophobicContact CG-CE2 3.79Å |
| 198 | C | 90.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 30.5 | -168.6 | -55.2 | 0 | 0 | 0 | 0 | 114.4 | C102 W192 G196 N200 V201 M279 | C102-C198 HydrophobicContact CB-CB 3.8Å; C102-C198 WeakPolarHBondContact CB-SG 3.28Å; C102-C198 WeakPolarHBondContact SG-CB 2.9Å; C102-C198 CovalentContact SG-SG 2.01Å; C102-C198 PolarHBondContact SG-SG 3.2Å; W192-C198 WeakPolarHBondContact CH2-SG 3.43Å; W192-C198 WeakPolarHBondContact CZ3-SG 3.31Å; G196-C198 PolarHBondContact O-N 3.23Å; C198-N200 PolarHBondContact O-N 3.27Å; C198-V201 HydrophobicContact CB-CG2 3.92Å; C198-V201 WeakPolarHBondContact O-CG2 3.44Å; C198-V201 PolarHBondContact O-N 3.43Å; C198-M279 HydrophobicContact CB-CE 3.68Å; C198-M279 WeakPolarHBondContact O-CE 3.43Å |
| 199 | N | 86.2 | Confident | 93.6 | Very high | 75 Ų | 75 | 20.4 Ų | 20.4 | 40% | 0.401 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.8 | -167.9 | -56.2 | -44.7 | 0 | 0 | 0 | 116.5 | N65 G196 | N65-N199 VanDerWaalsContact O-CG 3.26Å; N65-N199 PolarHBondContact O-ND2 2.96Å; N65-N199 PolarHBondContact O-OD1 2.76Å; G196-N199 WeakPolarHBondContact CA-OD1 3.12Å; G196-N199 PolarHBondContact O-ND2 2.9Å; G196-N199 PolarHBondContact O-OD1 3.43Å |
| 200 | N | 88.1 | Confident | 93.2 | Very high | 158 Ų | 158 | 22.2 Ų | 22.2 | 85% | 0.845 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3.8 | -177.4 | -62.9 | -33.3 | 0 | 0 | 0 | 114.1 | C198 P202 | C198-N200 PolarHBondContact O-N 3.27Å; N200-P202 WeakPolarHBondContact O-CD 3.05Å |
| 201 | V | 95.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | trans | -82.6 | 120.8 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | L108 W109 L111 C198 M279 | L108-V201 HydrophobicContact CB-CG2 3.89Å; L108-V201 HydrophobicContact CD2-CG2 3.79Å; L108-V201 HydrophobicContact CG-CG1 4.32Å; L108-V201 HydrophobicContact CG-CG2 3.79Å; W109-V201 WeakPolarHBondContact O-CG1 3.48Å; L111-V201 HydrophobicContact CB-CG1 4.19Å; C198-V201 HydrophobicContact CB-CG2 3.92Å; C198-V201 WeakPolarHBondContact O-CG2 3.44Å; C198-V201 PolarHBondContact O-N 3.43Å; V201-M279 HydrophobicContact CB-CE 3.56Å; V201-M279 HydrophobicContact CB-SD 3.89Å; V201-M279 HydrophobicContact CG1-CE 4.38Å; V201-M279 HydrophobicContact CG1-SD 4.05Å; V201-M279 HydrophobicContact CG2-CE 4.28Å; V201-M279 WeakPolarHBondContact O-CB 3.34Å; V201-M279 WeakPolarHBondContact O-CE 3.45Å | ||
| 202 | P | 95.7 | Very high | 92.5 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 16% | 0.162 | 12% | 0.117 | C | C | . | . | trans | -76 | -34.8 | -176.9 | 26.3 | -34.3 | 0 | 0 | 0 | 114 | W109 N200 M279 | W109-P202 HydrophobicContact CG-CG 4.21Å; W109-P202 WeakPolarHBondContact O-CD 3.29Å; W109-P202 WeakPolarHBondContact O-CG 3.38Å; N200-P202 WeakPolarHBondContact O-CD 3.05Å; P202-M279 PolarHBondContact O-N 3.33Å | ||
| 203 | F | 97.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.4 | -171.5 | -61.2 | -64.4 | 0 | 0 | 0 | 112.4 | W109 I110 L111 L222 H226 L229 I276 | W109-F203 HydrophobicContact CD2-CD2 4.49Å; W109-F203 AromaticContact CE2-CE2 3.94Å; W109-F203 HydrophobicContact CH2-CE2 4.5Å; W109-F203 HydrophobicContact CZ2-CD2 4.24Å; W109-F203 AromaticContact CZ2-CE2 3.8Å; W109-F203 HydrophobicContact CZ2-CE2 3.8Å; I110-F203 HydrophobicContact CG1-CB 4.26Å; I110-F203 HydrophobicContact CG1-CD2 4.48Å; L111-F203 PolarHBondContact N-O 2.82Å; F203-L222 HydrophobicContact CB-CD1 4.24Å; F203-L222 HydrophobicContact CD1-CD2 4.06Å; F203-L222 HydrophobicContact CD2-CB 4.36Å; F203-L222 HydrophobicContact CD2-CD1 3.95Å; F203-L222 HydrophobicContact CD2-CD2 4.33Å; F203-L222 HydrophobicContact CD2-CG 4.45Å; F203-L222 HydrophobicContact CE1-CD2 4.11Å; F203-L222 HydrophobicContact CE2-CB 4.18Å; F203-L222 HydrophobicContact CE2-CD2 4.35Å; F203-L222 HydrophobicContact CG-CD1 4.02Å; F203-L222 HydrophobicContact CG-CD2 4.2Å; F203-L222 HydrophobicContact CZ-CD2 4.27Å; F203-H226 AromaticContact CE2-CE1 3.94Å; F203-H226 AromaticContact CE2-ND1 3.44Å; F203-H226 WeakPolarHBondContact CE2-ND1 3.42Å; F203-H226 HydrophobicContact CZ-CB 4.3Å; F203-H226 AromaticContact CZ-CG 3.94Å; F203-H226 AromaticContact CZ-ND1 3.58Å; F203-L229 HydrophobicContact CE1-CB 3.95Å; F203-L229 HydrophobicContact CE1-CD1 4.24Å; F203-I276 HydrophobicContact CD1-CG2 4.21Å |
| 204 | L | 98 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.5 | 159.2 | 174.4 | 69.1 | 0 | 0 | 0 | 108.2 | L111 A113 I189 M190 I193 I276 M277 M279 | L111-L204 HydrophobicContact CD2-CD1 4.42Å; L111-L204 HydrophobicContact CG-CD1 4.42Å; L111-L204 WeakPolarHBondContact O-CA 3.34Å; A113-L204 HydrophobicContact CB-CD1 3.8Å; I189-L204 HydrophobicContact CG2-CD1 4.3Å; I189-L204 HydrophobicContact CG2-CD2 4.07Å; M190-L204 HydrophobicContact CE-CD2 3.73Å; I193-L204 HydrophobicContact CD1-CB 4.48Å; I193-L204 HydrophobicContact CD1-CD1 3.8Å; I193-L204 HydrophobicContact CD1-CD2 3.64Å; I193-L204 HydrophobicContact CD1-CG 4.18Å; L204-I276 CarbonylContact O-C 3.46Å; L204-I276 WeakPolarHBondContact O-CA 3.21Å; L204-M277 HydrophobicContact CB-CE 4.39Å; L204-M277 HydrophobicContact CB-CG 3.93Å; L204-M277 HydrophobicContact CD2-CE 3.69Å; L204-M277 HydrophobicContact CD2-CG 4.13Å; L204-M277 HydrophobicContact CD2-SD 3.98Å; L204-M277 HydrophobicContact CG-CG 4.47Å; L204-M277 PolarHBondContact N-O 3.35Å; L204-M277 PolarHBondContact O-N 3.32Å; L204-M279 HydrophobicContact CB-CB 4.27Å; L204-M279 HydrophobicContact CB-CG 4.01Å; L204-M279 HydrophobicContact CB-SD 4.49Å |
| 205 | V | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.3 | 166.2 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | I110 L111 I112 A113 V207 L218 Y275 I276 F340 | I110-V205 HydrophobicContact CG2-CB 4.41Å; I110-V205 HydrophobicContact CG2-CG2 3.74Å; L111-V205 PolarHBondContact O-N 3.14Å; I112-V205 CarbonylContact C-O 3.57Å; I112-V205 WeakPolarHBondContact CA-O 3.44Å; I112-V205 HydrophobicContact CG1-CB 4.2Å; I112-V205 HydrophobicContact CG2-CB 4.34Å; I112-V205 HydrophobicContact CG2-CG1 4.32Å; A113-V205 PolarHBondContact N-O 3.2Å; V205-V207 HydrophobicContact CG1-CG1 4.1Å; V205-L218 HydrophobicContact CG2-CD1 4.11Å; V205-L218 HydrophobicContact CG2-CD2 4.15Å; V205-Y275 CarbonylContact C-O 3.55Å; V205-Y275 WeakPolarHBondContact CA-O 3.08Å; V205-I276 HydrophobicContact CG2-CG1 4.19Å; V205-I276 HydrophobicContact CG2-CG2 4.33Å; V205-F340 HydrophobicContact CG1-CE1 3.74Å; V205-F340 HydrophobicContact CG1-CZ 3.9Å |
| 206 | K | 97.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.2 | 172.4 | -178.9 | -92.8 | 161.9 | 177.3 | 0 | 108.1 | A113 H115 I189 D208 G272 G274 Y275 | A113-K206 WeakPolarHBondContact O-CA 3.17Å; H115-K206 WeakPolarHBondContact ND1-CE 3.48Å; I189-K206 HydrophobicContact CD1-CG 4.25Å; K206-D208 WeakPolarHBondContact CE-OD1 3.43Å; K206-D208 IonicContact NZ-OD1 2.99Å; K206-D208 PolarHBondContact NZ-OD1 2.89Å; K206-D208 IonicContact NZ-OD2 3.78Å; K206-G272 PolarHBondContact NZ-O 3.36Å; K206-G274 CarbonylContact O-C 3.58Å; K206-G274 VanDerWaalsContact O-CA 3.24Å; K206-G274 WeakPolarHBondContact O-CA 3.33Å; K206-Y275 HydrophobicContact CB-CD1 4.04Å; K206-Y275 HydrophobicContact CB-CD2 4.37Å; K206-Y275 HydrophobicContact CB-CE1 3.52Å; K206-Y275 HydrophobicContact CB-CE2 3.86Å; K206-Y275 HydrophobicContact CB-CG 4.43Å; K206-Y275 HydrophobicContact CD-CD1 4.16Å; K206-Y275 HydrophobicContact CD-CE1 3.73Å; K206-Y275 HydrophobicContact CG-CE1 3.87Å; K206-Y275 PolarHBondContact N-O 3.47Å; K206-Y275 PolarHBondContact O-N 3.16Å |
| 207 | V | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 162.6 | 171.7 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | I112 A113 V114 H115 W131 V205 T211 V213 F273 F340 | I112-V207 HydrophobicContact CG2-CG2 3.85Å; A113-V207 PolarHBondContact O-N 2.65Å; V114-V207 CarbonylContact C-O 3.53Å; V114-V207 WeakPolarHBondContact CA-O 3.34Å; V114-V207 HydrophobicContact CB-CG2 4.44Å; V114-V207 HydrophobicContact CG1-CG2 4.48Å; V114-V207 HydrophobicContact CG2-CG2 3.87Å; H115-V207 PolarHBondContact N-O 3Å; W131-V207 HydrophobicContact CH2-CG2 4.23Å; V205-V207 HydrophobicContact CG1-CG1 4.1Å; V207-T211 HydrophobicContact CB-CG2 4.26Å; V207-T211 HydrophobicContact CG1-CG2 4.16Å; V207-V213 HydrophobicContact CG1-CG2 3.82Å; V207-V213 HydrophobicContact CG2-CG2 4.4Å; V207-F273 VanDerWaalsContact CA-O 3.29Å; V207-F273 WeakPolarHBondContact CA-O 3.16Å; V207-F340 HydrophobicContact CG1-CD1 3.8Å; V207-F340 HydrophobicContact CG1-CE1 3.56Å |
| 208 | D | 94.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 20 Ų | 20 | 19% | 0.187 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 160.9 | 165.3 | -68.3 | -27.8 | 0 | 0 | 0 | 111.2 | H115 K206 D210 T211 F273 | H115-D208 WeakPolarHBondContact CB-OD1 3.33Å; H115-D208 IonicContact ND1-OD1 2.75Å; K206-D208 WeakPolarHBondContact CE-OD1 3.43Å; K206-D208 IonicContact NZ-OD1 2.99Å; K206-D208 PolarHBondContact NZ-OD1 2.89Å; K206-D208 IonicContact NZ-OD2 3.78Å; D208-D210 WeakPolarHBondContact CB-OD1 3.23Å; D208-D210 PolarHBondContact O-N 2.78Å; D208-T211 WeakPolarHBondContact O-CB 3.39Å; D208-T211 PolarHBondContact O-N 2.89Å; D208-T211 VanDerWaalsContact O-N 3.12Å; D208-F273 PolarHBondContact N-O 3.11Å |
| 209 | D | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -1.5 | 180 | 68.5 | 18.5 | 0 | 0 | 0 | 115.1 | V114 H115 T116 H120 K123 I127 Y349 | V114-D209 HydrophobicContact CG1-CB 3.91Å; H115-D209 WeakPolarHBondContact O-CB 3.46Å; H115-D209 PolarHBondContact O-N 3.1Å; T116-D209 WeakPolarHBondContact CA-OD2 3.49Å; T116-D209 VanDerWaalsContact CB-OD2 3.24Å; T116-D209 WeakPolarHBondContact CB-OD2 3.17Å; T116-D209 PolarHBondContact OG1-OD2 3.29Å; H120-D209 WeakPolarHBondContact CB-OD2 3.34Å; H120-D209 IonicContact CE1-OD1 3.63Å; H120-D209 IonicContact CE1-OD2 3.64Å; H120-D209 IonicContact CG-OD2 3.19Å; H120-D209 IonicContact ND1-OD1 3.21Å; H120-D209 PolarHBondContact ND1-OD1 2.99Å; H120-D209 IonicContact ND1-OD2 2.76Å; H120-D209 PolarHBondContact ND1-OD2 2.59Å; K123-D209 HydrophobicContact CB-CB 4.34Å; K123-D209 HydrophobicContact CD-CB 4.26Å; K123-D209 WeakPolarHBondContact CD-OD1 3.48Å; K123-D209 IonicContact NZ-OD1 2.66Å; K123-D209 PolarHBondContact NZ-OD1 3.32Å; I127-D209 HydrophobicContact CD1-CB 4.22Å; D209-Y349 PolarHBondContact O-OH 2.85Å; D209-Y349 VanDerWaalsContact O-OH 3.12Å |
| 210 | D | 89.4 | Confident | 93.1 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 20% | 0.198 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 11 | 170.4 | 59.6 | 8.3 | 0 | 0 | 0 | 113 | D208 Y349 | D208-D210 WeakPolarHBondContact CB-OD1 3.23Å; D208-D210 PolarHBondContact O-N 2.78Å; D210-Y349 VanDerWaalsContact CA-CZ 3.41Å; D210-Y349 VanDerWaalsContact CA-OH 3.24Å; D210-Y349 WeakPolarHBondContact CA-OH 3.49Å; D210-Y349 HydrophobicContact CB-CE2 4.06Å; D210-Y349 WeakPolarHBondContact O-CE2 3.43Å; D210-Y349 PolarHBondContact O-OH 2.85Å |
| 211 | T | 88.9 | Confident | 93.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.4 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | W131 V207 D208 F273 F340 V342 | W131-T211 WeakPolarHBondContact CZ2-O 3.27Å; V207-T211 HydrophobicContact CB-CG2 4.26Å; V207-T211 HydrophobicContact CG1-CG2 4.16Å; D208-T211 WeakPolarHBondContact O-CB 3.39Å; D208-T211 PolarHBondContact O-N 2.89Å; D208-T211 VanDerWaalsContact O-N 3.12Å; T211-F273 PolarHBondContact OG1-O 2.77Å; T211-F273 VanDerWaalsContact OG1-O 3.14Å; T211-F340 HydrophobicContact CG2-CB 4.28Å; T211-F340 HydrophobicContact CG2-CD1 4.17Å; T211-V342 HydrophobicContact CG2-CG2 4.29Å |
| 212 | F | 89.2 | Confident | 93.4 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.9 | 167.7 | -178.9 | -76.5 | 0 | 0 | 0 | 109.5 | W131 D214 L341 V353 M356 W357 V360 | W131-F212 HydrophobicContact CB-CE2 4.03Å; W131-F212 HydrophobicContact CB-CZ 4.05Å; W131-F212 AromaticContact CD1-CD2 3.41Å; W131-F212 VanDerWaalsContact CD1-CD2 3.41Å; W131-F212 AromaticContact CD1-CE2 3.69Å; W131-F212 AromaticContact CD1-CG 3.93Å; W131-F212 HydrophobicContact CG-CD2 4.23Å; W131-F212 HydrophobicContact CG-CE2 4.21Å; F212-D214 HydrophobicContact CE1-CB 4.48Å; F212-L341 HydrophobicContact CB-CB 4.25Å; F212-L341 HydrophobicContact CD1-CB 4.5Å; F212-L341 HydrophobicContact CD1-CD1 3.59Å; F212-L341 HydrophobicContact CE1-CD1 4.15Å; F212-L341 PolarHBondContact N-O 2.7Å; F212-L341 PolarHBondContact O-N 3.37Å; F212-V353 HydrophobicContact CD2-CG1 4.07Å; F212-M356 HydrophobicContact CB-CE 3.44Å; F212-M356 VanDerWaalsContact CB-CE 3.44Å; F212-M356 HydrophobicContact CB-SD 4.46Å; F212-M356 HydrophobicContact CD1-CE 3.83Å; F212-M356 HydrophobicContact CD2-CB 4.03Å; F212-M356 HydrophobicContact CD2-CE 4.12Å; F212-M356 HydrophobicContact CE2-CB 3.97Å; F212-M356 HydrophobicContact CG-CB 4.42Å; F212-M356 HydrophobicContact CG-CE 3.54Å; F212-M356 HydrophobicContact CZ-CB 4.3Å; F212-W357 HydrophobicContact CE2-CB 3.9Å; F212-W357 HydrophobicContact CE2-CE3 4.32Å; F212-W357 HydrophobicContact CZ-CB 4.42Å; F212-W357 HydrophobicContact CZ-CE3 4.05Å; F212-V360 HydrophobicContact CE1-CB 4.37Å; F212-V360 HydrophobicContact CE1-CG2 3.85Å; F212-V360 HydrophobicContact CZ-CB 4.21Å; F212-V360 HydrophobicContact CZ-CG2 4.07Å |
| 213 | V | 90.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | 177.3 | -172 | 0 | 0 | 0 | 0 | 109.7 | W131 V207 I215 L218 I339 F340 | W131-V213 WeakPolarHBondContact CB-O 3.14Å; W131-V213 HydrophobicContact CD2-CB 4.17Å; W131-V213 HydrophobicContact CD2-CG2 4.49Å; W131-V213 HydrophobicContact CE3-CB 3.87Å; W131-V213 HydrophobicContact CE3-CG2 4.19Å; W131-V213 HydrophobicContact CH2-CB 4.47Å; W131-V213 HydrophobicContact CH2-CG2 3.88Å; W131-V213 HydrophobicContact CZ2-CG2 4.18Å; W131-V213 HydrophobicContact CZ3-CB 4.03Å; W131-V213 HydrophobicContact CZ3-CG2 3.88Å; V207-V213 HydrophobicContact CG1-CG2 3.82Å; V207-V213 HydrophobicContact CG2-CG2 4.4Å; V213-I215 HydrophobicContact CB-CD1 4.15Å; V213-I215 HydrophobicContact CG1-CD1 3.82Å; V213-I215 PolarHBondContact O-N 3.25Å; V213-L218 HydrophobicContact CG1-CB 4.46Å; V213-L218 HydrophobicContact CG1-CD2 3.88Å; V213-I339 WeakPolarHBondContact CA-O 3.24Å; V213-I339 HydrophobicContact CG1-CG2 4.49Å; V213-F340 HydrophobicContact CG2-CD1 4.3Å; V213-F340 HydrophobicContact CG2-CE1 4.44Å |
| 214 | D | 90 | Very high | 93.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | trans | -71.9 | 98.3 | 165.8 | -174.7 | -25.2 | 0 | 0 | 0 | 108.8 | F212 F216 H217 L218 C338 I339 V360 | F212-D214 HydrophobicContact CE1-CB 4.48Å; D214-F216 VanDerWaalsContact C-N 3.29Å; D214-F216 PolarHBondContact O-N 3.49Å; D214-F216 WeakPolarHBondContact OD1-CA 3.38Å; D214-F216 WeakPolarHBondContact OD1-CB 3.27Å; D214-F216 PolarHBondContact OD1-N 3.1Å; D214-H217 HydrophobicContact CB-CB 3.93Å; D214-H217 VanDerWaalsContact CG-CB 3.5Å; D214-H217 PolarHBondContact O-N 3.07Å; D214-H217 PolarHBondContact OD1-N 2.82Å; D214-L218 WeakPolarHBondContact O-CB 3.44Å; D214-L218 PolarHBondContact O-N 2.93Å; D214-C338 VanDerWaalsContact CB-O 3.23Å; D214-C338 WeakPolarHBondContact CB-O 2.86Å; D214-I339 PolarHBondContact N-O 3.23Å; D214-V360 HydrophobicContact CB-CG1 4.18Å; D214-V360 VanDerWaalsContact CG-CG1 3.41Å; D214-V360 WeakPolarHBondContact OD1-CG1 3.45Å; D214-V360 WeakPolarHBondContact OD2-CG1 3.18Å | ||
| 215 | I | 92.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.8 | -30 | -177.5 | -65 | -61 | 0 | 0 | 0 | 112.3 | I112 W131 L134 V137 I142 V213 L218 T219 | I112-I215 HydrophobicContact CD1-CD1 3.61Å; W131-I215 HydrophobicContact CB-CG1 4.31Å; W131-I215 HydrophobicContact CE3-CD1 4Å; W131-I215 HydrophobicContact CE3-CG1 4.21Å; W131-I215 HydrophobicContact CZ3-CD1 4.45Å; W131-I215 WeakPolarHBondContact O-CG1 3.3Å; L134-I215 HydrophobicContact CB-CB 4.42Å; L134-I215 HydrophobicContact CB-CG2 3.98Å; L134-I215 HydrophobicContact CD1-CB 4.14Å; L134-I215 HydrophobicContact CD1-CG2 4.24Å; V137-I215 HydrophobicContact CG2-CG2 3.71Å; I142-I215 HydrophobicContact CD1-CG2 3.3Å; V213-I215 HydrophobicContact CB-CD1 4.15Å; V213-I215 HydrophobicContact CG1-CD1 3.82Å; V213-I215 PolarHBondContact O-N 3.25Å; I215-L218 HydrophobicContact CD1-CD2 4.24Å; I215-T219 VanDerWaalsContact O-CB 3.31Å; I215-T219 WeakPolarHBondContact O-CB 3.32Å; I215-T219 PolarHBondContact O-N 3.26Å; I215-T219 PolarHBondContact O-OG1 3.15Å |
| 216 | F | 90.8 | Very high | 92.7 | Very high | 44 Ų | 44 | 28.5 Ų | 28.5 | 19% | 0.193 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.5 | -48.3 | 178 | -63.9 | -76.6 | 0 | 0 | 0 | 110.5 | L134 V137 D214 T219 R220 V360 V361 S364 | L134-F216 HydrophobicContact CD1-CD2 4.12Å; L134-F216 HydrophobicContact CD1-CE1 4.18Å; L134-F216 HydrophobicContact CD1-CE2 3.46Å; L134-F216 VanDerWaalsContact CD1-CE2 3.46Å; L134-F216 HydrophobicContact CD1-CZ 3.49Å; L134-F216 VanDerWaalsContact CD1-CZ 3.49Å; V137-F216 HydrophobicContact CG1-CD1 3.87Å; V137-F216 HydrophobicContact CG1-CE1 4.39Å; V137-F216 HydrophobicContact CG2-CD1 3.96Å; V137-F216 HydrophobicContact CG2-CE1 4.09Å; D214-F216 VanDerWaalsContact C-N 3.29Å; D214-F216 PolarHBondContact O-N 3.49Å; D214-F216 WeakPolarHBondContact OD1-CA 3.38Å; D214-F216 WeakPolarHBondContact OD1-CB 3.27Å; D214-F216 PolarHBondContact OD1-N 3.1Å; F216-T219 PolarHBondContact O-N 3.36Å; F216-R220 WeakPolarHBondContact O-CB 3.37Å; F216-R220 PolarHBondContact O-N 3.5Å; F216-V360 HydrophobicContact CD2-CG1 4.17Å; F216-V361 HydrophobicContact CE2-CG2 4.36Å; F216-S364 WeakPolarHBondContact CB-OG 3.48Å; F216-S364 WeakPolarHBondContact CD2-OG 3.16Å; F216-S364 WeakPolarHBondContact CG-OG 3.15Å |
| 217 | H | 89.3 | Confident | 92.5 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -49.9 | 175.6 | -161.8 | 150.3 | 0 | 0 | 0 | 110.5 | D214 T219 R220 Y221 H321 A336 D337 I339 | D214-H217 HydrophobicContact CB-CB 3.93Å; D214-H217 VanDerWaalsContact CG-CB 3.5Å; D214-H217 PolarHBondContact O-N 3.07Å; D214-H217 PolarHBondContact OD1-N 2.82Å; H217-T219 VanDerWaalsContact C-N 3.28Å; H217-T219 PolarHBondContact O-N 3.12Å; H217-R220 PolarHBondContact CD2-NH2 2.98Å; H217-R220 PolarHBondContact CE1-NH2 2.87Å; H217-R220 PolarHBondContact NE2-NH2 3.42Å; H217-R220 VanDerWaalsContact NE2-NH2 3.2Å; H217-R220 PolarHBondContact O-N 2.94Å; H217-Y221 WeakPolarHBondContact O-CB 3.37Å; H217-Y221 PolarHBondContact O-N 3.37Å; H217-H321 AromaticContact CD2-NE2 3.96Å; H217-H321 AromaticContact CE1-CD2 3.96Å; H217-H321 AromaticContact CE1-NE2 3.96Å; H217-H321 AromaticContact NE2-CD2 3.58Å; H217-H321 AromaticContact NE2-NE2 3.23Å; H217-H321 PolarHBondContact NE2-NE2 2.83Å; H217-A336 PolarHBondContact ND1-O 3.21Å; H217-D337 PolarHBondContact CE1-O 3.01Å; H217-D337 PolarHBondContact ND1-O 3.21Å; H217-I339 HydrophobicContact CB-CG1 4.09Å |
| 218 | L | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.7 | -49.8 | 176.3 | 175.6 | 63.7 | 0 | 0 | 0 | 111.4 | I110 I112 V205 V213 D214 I215 Y221 L222 I276 I339 | I110-L218 HydrophobicContact CD1-CD2 4.35Å; I110-L218 HydrophobicContact CD1-CG 4.36Å; I112-L218 HydrophobicContact CD1-CD2 4.39Å; V205-L218 HydrophobicContact CG2-CD1 4.11Å; V205-L218 HydrophobicContact CG2-CD2 4.15Å; V213-L218 HydrophobicContact CG1-CB 4.46Å; V213-L218 HydrophobicContact CG1-CD2 3.88Å; D214-L218 WeakPolarHBondContact O-CB 3.44Å; D214-L218 PolarHBondContact O-N 2.93Å; I215-L218 HydrophobicContact CD1-CD2 4.24Å; L218-Y221 PolarHBondContact O-N 3.42Å; L218-L222 HydrophobicContact CD1-CD1 3.67Å; L218-L222 HydrophobicContact CD1-CG 4.05Å; L218-L222 HydrophobicContact CG-CD1 4.03Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 2.99Å; L218-L222 PolarHBondContact O-N 3.37Å; L218-I276 HydrophobicContact CD1-CD1 3.45Å; L218-I276 VanDerWaalsContact CD1-CD1 3.45Å; L218-I276 HydrophobicContact CD1-CG1 4.29Å; L218-I339 HydrophobicContact CB-CG2 4.08Å; L218-I339 HydrophobicContact CD1-CG2 4Å |
| 219 | T | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -50.7 | -178.3 | -58.1 | 0 | 0 | 0 | 0 | 111 | W109 V137 R140 I215 F216 H217 Y221 L222 E223 | W109-T219 HydrophobicContact CZ3-CG2 3.98Å; V137-T219 HydrophobicContact CB-CG2 3.95Å; V137-T219 HydrophobicContact CG1-CG2 3.92Å; R140-T219 HydrophobicContact CB-CG2 3.82Å; R140-T219 HydrophobicContact CG-CG2 3.81Å; I215-T219 VanDerWaalsContact O-CB 3.31Å; I215-T219 WeakPolarHBondContact O-CB 3.32Å; I215-T219 PolarHBondContact O-N 3.26Å; I215-T219 PolarHBondContact O-OG1 3.15Å; F216-T219 PolarHBondContact O-N 3.36Å; H217-T219 VanDerWaalsContact C-N 3.28Å; H217-T219 PolarHBondContact O-N 3.12Å; T219-Y221 VanDerWaalsContact C-N 3.31Å; T219-Y221 PolarHBondContact O-N 2.86Å; T219-L222 PolarHBondContact O-N 2.68Å; T219-E223 HydrophobicContact CG2-CG 4.41Å; T219-E223 WeakPolarHBondContact O-CG 3.38Å; T219-E223 PolarHBondContact O-N 2.78Å |
| 220 | R | 92 | Very high | 92.4 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 48% | 0.483 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 178.7 | 177.4 | 176.6 | 61.7 | 113.4 | -2.9 | 111.4 | F216 H217 E223 L224 | F216-R220 WeakPolarHBondContact O-CB 3.37Å; F216-R220 PolarHBondContact O-N 3.5Å; H217-R220 PolarHBondContact CD2-NH2 2.98Å; H217-R220 PolarHBondContact CE1-NH2 2.87Å; H217-R220 PolarHBondContact NE2-NH2 3.42Å; H217-R220 VanDerWaalsContact NE2-NH2 3.2Å; H217-R220 PolarHBondContact O-N 2.94Å; R220-E223 PolarHBondContact O-N 3.2Å; R220-L224 HydrophobicContact CG-CD1 4.15Å; R220-L224 WeakPolarHBondContact O-CG 3.18Å; R220-L224 PolarHBondContact O-N 3.14Å; R220-L224 VanDerWaalsContact O-N 3.14Å |
| 221 | Y | 92.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 179.2 | -177.4 | -99.3 | 0 | 0 | 0 | 111.7 | H217 L218 T219 E223 L224 K225 L229 Y234 H321 I339 | H217-Y221 WeakPolarHBondContact O-CB 3.37Å; H217-Y221 PolarHBondContact O-N 3.37Å; L218-Y221 PolarHBondContact O-N 3.42Å; T219-Y221 VanDerWaalsContact C-N 3.31Å; T219-Y221 PolarHBondContact O-N 2.86Å; Y221-E223 VanDerWaalsContact C-N 3.28Å; Y221-E223 PolarHBondContact O-N 2.7Å; Y221-L224 PolarHBondContact O-N 3.12Å; Y221-K225 HydrophobicContact CD2-CG 4.15Å; Y221-K225 HydrophobicContact CE1-CB 4.12Å; Y221-K225 HydrophobicContact CE1-CG 4.21Å; Y221-K225 HydrophobicContact CE2-CB 4.46Å; Y221-K225 HydrophobicContact CE2-CG 3.67Å; Y221-K225 WeakPolarHBondContact O-CB 3.26Å; Y221-K225 PolarHBondContact O-N 2.71Å; Y221-L229 HydrophobicContact CD1-CD1 4.42Å; Y221-L229 HydrophobicContact CE1-CD1 3.91Å; Y221-L229 HydrophobicContact CE1-CD2 4.49Å; Y221-Y234 HydrophobicContact CD1-CD1 4.5Å; Y221-Y234 HydrophobicContact CD1-CE1 4.04Å; Y221-Y234 AromaticContact CE1-CD1 3.66Å; Y221-Y234 HydrophobicContact CE1-CD1 3.66Å; Y221-Y234 AromaticContact CE1-CE1 3.23Å; Y221-Y234 HydrophobicContact CE1-CE1 3.23Å; Y221-Y234 HydrophobicContact CE1-CG 4.44Å; Y221-Y234 AromaticContact CE1-CZ 3.72Å; Y221-Y234 HydrophobicContact CE2-CE1 4.41Å; Y221-Y234 AromaticContact CZ-CE1 3.48Å; Y221-Y234 VanDerWaalsContact CZ-CE1 3.48Å; Y221-Y234 AromaticContact CZ-CZ 3.41Å; Y221-Y234 VanDerWaalsContact CZ-CZ 3.41Å; Y221-Y234 VanDerWaalsContact OH-CE2 3.3Å; Y221-Y234 WeakPolarHBondContact OH-CE2 3.3Å; Y221-Y234 PolarHBondContact OH-OH 2.72Å; Y221-H321 AromaticContact CD2-CE1 3.41Å; Y221-H321 VanDerWaalsContact CD2-CE1 3.41Å; Y221-H321 WeakPolarHBondContact CD2-CE1 3.45Å; Y221-H321 AromaticContact CD2-NE2 3.48Å; Y221-H321 WeakPolarHBondContact CD2-NE2 3.48Å; Y221-H321 AromaticContact CE2-CE1 3.32Å; Y221-H321 WeakPolarHBondContact CE2-CE1 3.31Å; Y221-H321 AromaticContact CE2-NE2 3.89Å; Y221-I339 HydrophobicContact CD1-CD1 4.17Å; Y221-I339 HydrophobicContact CG-CD1 4.05Å |
| 222 | L | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -28.9 | 179.9 | -69.1 | -178.7 | 0 | 0 | 0 | 113.2 | W109 I110 F203 L218 T219 H226 L229 I276 | W109-L222 HydrophobicContact CH2-CB 3.4Å; W109-L222 HydrophobicContact CZ2-CB 4.1Å; W109-L222 HydrophobicContact CZ3-CB 3.93Å; I110-L222 HydrophobicContact CD1-CD1 3.54Å; I110-L222 HydrophobicContact CG1-CD1 3.77Å; F203-L222 HydrophobicContact CB-CD1 4.24Å; F203-L222 HydrophobicContact CD1-CD2 4.06Å; F203-L222 HydrophobicContact CD2-CB 4.36Å; F203-L222 HydrophobicContact CD2-CD1 3.95Å; F203-L222 HydrophobicContact CD2-CD2 4.33Å; F203-L222 HydrophobicContact CD2-CG 4.45Å; F203-L222 HydrophobicContact CE1-CD2 4.11Å; F203-L222 HydrophobicContact CE2-CB 4.18Å; F203-L222 HydrophobicContact CE2-CD2 4.35Å; F203-L222 HydrophobicContact CG-CD1 4.02Å; F203-L222 HydrophobicContact CG-CD2 4.2Å; F203-L222 HydrophobicContact CZ-CD2 4.27Å; L218-L222 HydrophobicContact CD1-CD1 3.67Å; L218-L222 HydrophobicContact CD1-CG 4.05Å; L218-L222 HydrophobicContact CG-CD1 4.03Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 2.99Å; L218-L222 PolarHBondContact O-N 3.37Å; T219-L222 PolarHBondContact O-N 2.68Å; L222-H226 VanDerWaalsContact O-CA 3.31Å; L222-H226 WeakPolarHBondContact O-CA 3.44Å; L222-H226 WeakPolarHBondContact O-CB 2.85Å; L222-H226 PolarHBondContact O-N 3.21Å; L222-L229 HydrophobicContact CD2-CD1 3.34Å; L222-I276 HydrophobicContact CD2-CD1 3.96Å; L222-I276 HydrophobicContact CD2-CG2 3.85Å; L222-I276 HydrophobicContact CG-CD1 4.44Å |
| 223 | E | 94.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 41.2 Ų | 41.2 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69 | -44.4 | 174.1 | -74 | -170.9 | 134.4 | 0 | 0 | 111 | W109 R140 T219 R220 Y221 | W109-E223 HydrophobicContact CH2-CB 4.37Å; W109-E223 HydrophobicContact CH2-CG 3.51Å; W109-E223 HydrophobicContact CZ2-CG 4.12Å; W109-E223 HydrophobicContact CZ3-CG 4.23Å; R140-E223 HydrophobicContact CG-CG 4.11Å; R140-E223 WeakPolarHBondContact CG-OE1 3.33Å; R140-E223 IonicContact CZ-OE1 2.91Å; R140-E223 IonicContact NE-OE1 2.91Å; R140-E223 PolarHBondContact NE-OE1 3.26Å; R140-E223 IonicContact NH2-OE1 3.64Å; T219-E223 HydrophobicContact CG2-CG 4.41Å; T219-E223 WeakPolarHBondContact O-CG 3.38Å; T219-E223 PolarHBondContact O-N 2.78Å; R220-E223 PolarHBondContact O-N 3.2Å; Y221-E223 VanDerWaalsContact C-N 3.28Å; Y221-E223 PolarHBondContact O-N 2.7Å |
| 224 | L | 94.2 | Very high | 93.7 | Very high | 130 Ų | 130 | 41.2 Ų | 41.2 | 68% | 0.681 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -69.7 | -37.4 | 178.6 | -68.7 | 170.5 | 0 | 0 | 0 | 112.6 | R220 Y221 | R220-L224 HydrophobicContact CG-CD1 4.15Å; R220-L224 WeakPolarHBondContact O-CG 3.18Å; R220-L224 PolarHBondContact O-N 3.14Å; R220-L224 VanDerWaalsContact O-N 3.14Å; Y221-L224 PolarHBondContact O-N 3.12Å |
| 225 | K | 93.7 | Very high | 94 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -107 | 12.5 | -170.6 | -64.1 | -55.9 | -165.1 | 177 | 0 | 114.8 | Y221 N227 D228 L229 | Y221-K225 HydrophobicContact CD2-CG 4.15Å; Y221-K225 HydrophobicContact CE1-CB 4.12Å; Y221-K225 HydrophobicContact CE1-CG 4.21Å; Y221-K225 HydrophobicContact CE2-CB 4.46Å; Y221-K225 HydrophobicContact CE2-CG 3.67Å; Y221-K225 WeakPolarHBondContact O-CB 3.26Å; Y221-K225 PolarHBondContact O-N 2.71Å; K225-N227 VanDerWaalsContact C-N 3.3Å; K225-N227 PolarHBondContact O-N 2.86Å; K225-N227 VanDerWaalsContact O-N 3.11Å; K225-D228 HydrophobicContact CB-CB 4.5Å; K225-D228 HydrophobicContact CD-CB 4.35Å; K225-D228 WeakPolarHBondContact CD-OD2 3.17Å; K225-D228 IonicContact NZ-OD2 3.48Å; K225-D228 PolarHBondContact NZ-OD2 2.61Å; K225-D228 PolarHBondContact O-N 2.9Å; K225-L229 HydrophobicContact CB-CD1 4.11Å; K225-L229 HydrophobicContact CB-CG 4.15Å; K225-L229 WeakPolarHBondContact O-CG 3.47Å; K225-L229 PolarHBondContact O-N 3.28Å; K225-L229 VanDerWaalsContact O-N 3.16Å |
| 226 | H | 93.5 | Very high | 94 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -48.7 | -172.6 | -178 | 105.3 | 0 | 0 | 0 | 114.1 | W109 F203 L222 | W109-H226 AromaticContact NE1-ND1 3.88Å; F203-H226 AromaticContact CE2-CE1 3.94Å; F203-H226 AromaticContact CE2-ND1 3.44Å; F203-H226 WeakPolarHBondContact CE2-ND1 3.42Å; F203-H226 HydrophobicContact CZ-CB 4.3Å; F203-H226 AromaticContact CZ-CG 3.94Å; F203-H226 AromaticContact CZ-ND1 3.58Å; L222-H226 VanDerWaalsContact O-CA 3.31Å; L222-H226 WeakPolarHBondContact O-CA 3.44Å; L222-H226 WeakPolarHBondContact O-CB 2.85Å; L222-H226 PolarHBondContact O-N 3.21Å |
| 227 | N | 93.7 | Very high | 94.1 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 59% | 0.594 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -32.3 | -177.2 | -71.7 | -42.7 | 0 | 0 | 0 | 112.7 | K225 L229 K230 | K225-N227 VanDerWaalsContact C-N 3.3Å; K225-N227 PolarHBondContact O-N 2.86Å; K225-N227 VanDerWaalsContact O-N 3.11Å; N227-L229 PolarHBondContact O-N 2.8Å; N227-K230 PolarHBondContact O-N 3.33Å; N227-K230 PolarHBondContact OD1-NZ 2.95Å |
| 228 | D | 93.8 | Very high | 94.4 | Very high | 91 Ų | 91 | 40.7 Ų | 40.7 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -24.5 | -179.7 | -63 | -4.7 | 0 | 0 | 0 | 111.3 | K225 L232 | K225-D228 HydrophobicContact CB-CB 4.5Å; K225-D228 HydrophobicContact CD-CB 4.35Å; K225-D228 WeakPolarHBondContact CD-OD2 3.17Å; K225-D228 IonicContact NZ-OD2 3.48Å; K225-D228 PolarHBondContact NZ-OD2 2.61Å; K225-D228 PolarHBondContact O-N 2.9Å; D228-L232 WeakPolarHBondContact O-CD2 3.27Å |
| 229 | L | 94.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.7 | -176.1 | -62.3 | 178.7 | 0 | 0 | 0 | 114.8 | F203 Y221 L222 K225 N227 L232 Y234 L315 | F203-L229 HydrophobicContact CE1-CB 3.95Å; F203-L229 HydrophobicContact CE1-CD1 4.24Å; Y221-L229 HydrophobicContact CD1-CD1 4.42Å; Y221-L229 HydrophobicContact CE1-CD1 3.91Å; Y221-L229 HydrophobicContact CE1-CD2 4.49Å; L222-L229 HydrophobicContact CD2-CD1 3.34Å; K225-L229 HydrophobicContact CB-CD1 4.11Å; K225-L229 HydrophobicContact CB-CG 4.15Å; K225-L229 WeakPolarHBondContact O-CG 3.47Å; K225-L229 PolarHBondContact O-N 3.28Å; K225-L229 VanDerWaalsContact O-N 3.16Å; N227-L229 PolarHBondContact O-N 2.8Å; L229-L232 HydrophobicContact CB-CD1 4.48Å; L229-L232 HydrophobicContact CD2-CD1 3.91Å; L229-Y234 HydrophobicContact CD2-CD2 4.29Å; L229-Y234 HydrophobicContact CD2-CG 3.99Å; L229-L315 HydrophobicContact CD2-CD2 4.06Å |
| 230 | K | 93.7 | Very high | 94.5 | Very high | 110 Ų | 110 | 49.5 Ų | 49.5 | 48% | 0.478 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 134.4 | 179.3 | -74.6 | 175.4 | 174.4 | 165 | 0 | 111.5 | N227 L232 D278 | N227-K230 PolarHBondContact O-N 3.33Å; N227-K230 PolarHBondContact OD1-NZ 2.95Å; K230-L232 VanDerWaalsContact C-N 3.28Å; K230-L232 PolarHBondContact O-N 2.9Å; K230-D278 WeakPolarHBondContact CA-OD2 3.46Å |
| 231 | G | 94.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 20.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I28 D278 | I28-G231 VanDerWaalsContact CD1-CA 3.46Å; G231-D278 PolarHBondContact N-OD2 3.46Å |
| 232 | L | 96.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -140.7 | 169.1 | 179.6 | 61.3 | 78 | 0 | 0 | 0 | 113.2 | D228 L229 K230 D278 P313 L315 | D228-L232 WeakPolarHBondContact O-CD2 3.27Å; L229-L232 HydrophobicContact CB-CD1 4.48Å; L229-L232 HydrophobicContact CD2-CD1 3.91Å; K230-L232 VanDerWaalsContact C-N 3.28Å; K230-L232 PolarHBondContact O-N 2.9Å; L232-D278 PolarHBondContact O-N 2.71Å; L232-P313 HydrophobicContact CB-CB 4.01Å; L232-P313 HydrophobicContact CB-CG 4.35Å; L232-L315 HydrophobicContact CD1-CB 3.92Å; L232-L315 HydrophobicContact CD1-CD2 4.38Å; L232-L315 HydrophobicContact CD2-CB 4.29Å |
| 233 | F | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.7 | 162.9 | -69.4 | -89.7 | 0 | 0 | 0 | 110.2 | Y275 I276 M277 L285 T303 A307 I312 P313 R314 L315 | F233-Y275 AromaticContact CD1-CD2 3.74Å; F233-Y275 HydrophobicContact CD1-CD2 3.74Å; F233-Y275 AromaticContact CD1-CE2 3.9Å; F233-Y275 HydrophobicContact CD1-CE2 3.9Å; F233-Y275 HydrophobicContact CD1-CG 4.36Å; F233-Y275 HydrophobicContact CE1-CD2 4.05Å; F233-Y275 AromaticContact CE1-CE2 3.72Å; F233-Y275 HydrophobicContact CE1-CE2 3.72Å; F233-I276 CarbonylContact C-O 3.53Å; F233-I276 WeakPolarHBondContact CA-O 3.28Å; F233-M277 HydrophobicContact CD1-CB 3.6Å; F233-M277 HydrophobicContact CD1-SD 4.33Å; F233-M277 HydrophobicContact CE1-CB 3.87Å; F233-M277 HydrophobicContact CE1-CG 4.32Å; F233-M277 HydrophobicContact CE1-SD 3.6Å; F233-M277 VanDerWaalsContact CE1-SD 3.6Å; F233-M277 HydrophobicContact CG-CB 4.24Å; F233-M277 HydrophobicContact CZ-SD 4.02Å; F233-L285 HydrophobicContact CE1-CD1 4.48Å; F233-L285 HydrophobicContact CE2-CD1 4.32Å; F233-L285 HydrophobicContact CE2-CD2 4.48Å; F233-L285 HydrophobicContact CZ-CD1 3.6Å; F233-L285 HydrophobicContact CZ-CD2 4.29Å; F233-T303 HydrophobicContact CD1-CG2 4.3Å; F233-T303 HydrophobicContact CE1-CG2 3.82Å; F233-T303 HydrophobicContact CZ-CG2 4.17Å; F233-A307 HydrophobicContact CD2-CB 4.44Å; F233-A307 HydrophobicContact CE2-CB 3.85Å; F233-I312 HydrophobicContact CD2-CG2 3.59Å; F233-I312 HydrophobicContact CE2-CB 4.45Å; F233-I312 HydrophobicContact CE2-CG2 3.72Å; F233-P313 PolarHBondContact N-O 2.85Å; F233-R314 HydrophobicContact CB-CG 4.19Å; F233-R314 HydrophobicContact CD2-CG 4.45Å; F233-R314 CarbonylContact O-C 3.46Å; F233-L315 WeakPolarHBondContact O-CB 3.33Å; F233-L315 PolarHBondContact O-N 3.25Å |
| 234 | Y | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.1 | 167.7 | -179.1 | -117.6 | 0 | 0 | 0 | 109.3 | Y221 L229 I276 L315 R316 F317 Q318 H321 | Y221-Y234 HydrophobicContact CD1-CD1 4.5Å; Y221-Y234 HydrophobicContact CD1-CE1 4.04Å; Y221-Y234 AromaticContact CE1-CD1 3.66Å; Y221-Y234 HydrophobicContact CE1-CD1 3.66Å; Y221-Y234 AromaticContact CE1-CE1 3.23Å; Y221-Y234 HydrophobicContact CE1-CE1 3.23Å; Y221-Y234 HydrophobicContact CE1-CG 4.44Å; Y221-Y234 AromaticContact CE1-CZ 3.72Å; Y221-Y234 HydrophobicContact CE2-CE1 4.41Å; Y221-Y234 AromaticContact CZ-CE1 3.48Å; Y221-Y234 VanDerWaalsContact CZ-CE1 3.48Å; Y221-Y234 AromaticContact CZ-CZ 3.41Å; Y221-Y234 VanDerWaalsContact CZ-CZ 3.41Å; Y221-Y234 VanDerWaalsContact OH-CE2 3.3Å; Y221-Y234 WeakPolarHBondContact OH-CE2 3.3Å; Y221-Y234 PolarHBondContact OH-OH 2.72Å; L229-Y234 HydrophobicContact CD2-CD2 4.29Å; L229-Y234 HydrophobicContact CD2-CG 3.99Å; Y234-I276 HydrophobicContact CD1-CD1 4Å; Y234-I276 HydrophobicContact CD1-CG1 4.38Å; Y234-I276 PolarHBondContact N-O 3.45Å; Y234-I276 PolarHBondContact O-N 3.09Å; Y234-L315 WeakPolarHBondContact CA-O 3.46Å; Y234-L315 HydrophobicContact CD2-CB 4.07Å; Y234-L315 HydrophobicContact CD2-CD2 3.75Å; Y234-L315 HydrophobicContact CD2-CG 3.77Å; Y234-L315 HydrophobicContact CE2-CD2 4.17Å; Y234-L315 HydrophobicContact CE2-CG 4.19Å; Y234-R316 WeakPolarHBondContact CE2-O 3.46Å; Y234-F317 AromaticContact CD1-CD1 3.51Å; Y234-F317 HydrophobicContact CD1-CD1 3.51Å; Y234-F317 AromaticContact CD1-CE1 3.44Å; Y234-F317 HydrophobicContact CD1-CE1 3.44Å; Y234-F317 VanDerWaalsContact CD1-CE1 3.44Å; Y234-F317 AromaticContact CD2-CD1 3.98Å; Y234-F317 HydrophobicContact CD2-CD1 3.98Å; Y234-F317 AromaticContact CE1-CD1 3.34Å; Y234-F317 HydrophobicContact CE1-CD1 3.34Å; Y234-F317 AromaticContact CE1-CE1 3.64Å; Y234-F317 HydrophobicContact CE1-CE1 3.64Å; Y234-F317 HydrophobicContact CE1-CG 4.47Å; Y234-F317 AromaticContact CE2-CD1 3.85Å; Y234-F317 HydrophobicContact CE2-CD1 3.85Å; Y234-F317 AromaticContact CG-CD1 3.84Å; Y234-F317 HydrophobicContact CG-CD1 3.84Å; Y234-F317 AromaticContact CG-CE1 3.95Å; Y234-F317 HydrophobicContact CG-CE1 3.95Å; Y234-F317 AromaticContact CZ-CD1 3.53Å; Y234-F317 WeakPolarHBondContact O-CE1 3.4Å; Y234-Q318 PolarHBondContact OH-N 3.45Å; Y234-H321 HydrophobicContact CE1-CB 4.38Å; Y234-H321 AromaticContact CZ-ND1 3.79Å; Y234-H321 PolarHBondContact OH-CE1 2.91Å; Y234-H321 PolarHBondContact OH-ND1 3.37Å |
| 235 | C | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 173.4 | -167.1 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | A237 C270 L315 R316 F317 | C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.85Å; C235-C270 HydrophobicContact CB-CB 3.32Å; C235-C270 WeakPolarHBondContact CB-SG 3.21Å; C235-C270 WeakPolarHBondContact SG-CA 3.37Å; C235-C270 WeakPolarHBondContact SG-CB 3.21Å; C235-C270 CovalentContact SG-SG 2.03Å; C235-C270 PolarHBondContact SG-SG 3.12Å; C235-L315 PolarHBondContact N-O 3.49Å; C235-R316 CarbonylContact O-C 3.6Å; C235-R316 VanDerWaalsContact O-CA 3.31Å; C235-R316 WeakPolarHBondContact O-CA 2.94Å; C235-F317 VanDerWaalsContact C-CD2 3.47Å; C235-F317 VanDerWaalsContact CA-CD1 3.42Å; C235-F317 HydrophobicContact CB-CE1 4.49Å; C235-F317 HydrophobicContact CB-CZ 4.41Å; C235-F317 VanDerWaalsContact N-CE1 3.31Å; C235-F317 PolarHBondContact O-N 2.83Å |
| 236 | T | 92.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 90.2 | 159.6 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | T238 E271 F317 Y323 | T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 VanDerWaalsContact O-N 3.15Å; T236-E271 HydrophobicContact CG2-CG 4.11Å; T236-E271 WeakPolarHBondContact CG2-OE2 3.34Å; T236-E271 PolarHBondContact O-N 3.4Å; T236-F317 VanDerWaalsContact OG1-CD2 3.28Å; T236-F317 WeakPolarHBondContact OG1-CD2 2.99Å; T236-Y323 HydrophobicContact CG2-CE2 4.47Å; T236-Y323 WeakPolarHBondContact OG1-CE2 3.22Å |
| 237 | A | 94.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 93.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C235 T268 Y269 R314 R316 | C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.85Å; A237-T268 HydrophobicContact CB-CG2 4.13Å; A237-Y269 CarbonylContact C-O 3.57Å; A237-Y269 WeakPolarHBondContact CA-O 3.31Å; A237-R314 HydrophobicContact CB-CB 4.03Å; A237-R316 HydrophobicContact CB-CB 4.18Å; A237-R316 HydrophobicContact CB-CG 4.46Å |
| 238 | T | 94.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130 | -174.1 | -75.9 | 0 | 0 | 0 | 0 | 111 | T236 I241 T268 Y269 E271 | T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 VanDerWaalsContact O-N 3.15Å; T238-I241 HydrophobicContact CG2-CD1 3.69Å; T238-I241 HydrophobicContact CG2-CG1 3.31Å; T238-T268 WeakPolarHBondContact O-CA 3.14Å; T238-Y269 HydrophobicContact CG2-CE1 3.81Å; T238-Y269 PolarHBondContact N-O 3.02Å; T238-Y269 PolarHBondContact O-N 3.45Å; T238-E271 WeakPolarHBondContact OG1-CG 3.45Å; T238-E271 PolarHBondContact OG1-OE1 2.89Å |
| 239 | S | 95.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | trans | -132.3 | 159.9 | -170.6 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | I241 T268 | S239-I241 PolarHBondContact O-N 3.35Å; S239-T268 WeakPolarHBondContact CB-OG1 3.29Å; S239-T268 WeakPolarHBondContact OG-CB 3.43Å; S239-T268 WeakPolarHBondContact OG-CG2 3.24Å; S239-T268 PolarHBondContact OG-OG1 2.64Å | ||
| 240 | N | 94.8 | Very high | 92.4 | Very high | 135 Ų | 135 | 62.8 Ų | 62.8 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 60.1 | 24.9 | 175 | -57.6 | -40.7 | 0 | 0 | 0 | 115 | K242 | N240-K242 PolarHBondContact O-N 3.48Š|
| 241 | I | 94.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 121.2 | 176.7 | -58.1 | -54.6 | 0 | 0 | 0 | 109.6 | T238 S239 I265 F266 Y269 | T238-I241 HydrophobicContact CG2-CD1 3.69Å; T238-I241 HydrophobicContact CG2-CG1 3.31Å; S239-I241 PolarHBondContact O-N 3.35Å; I241-I265 WeakPolarHBondContact O-CA 3.38Å; I241-I265 WeakPolarHBondContact O-CG2 3.37Å; I241-F266 HydrophobicContact CB-CD2 4.45Å; I241-F266 HydrophobicContact CG2-CD2 4.14Å; I241-F266 PolarHBondContact O-N 3.37Å; I241-Y269 HydrophobicContact CG1-CE1 4.18Å |
| 242 | K | 94.9 | Very high | 91.4 | Very high | 167 Ų | 167 | 66.4 Ų | 66.4 | 73% | 0.726 | 35% | 0.346 | S | S | * | . | B | Isolated β-bridge | trans | -71.6 | 137 | 173.4 | -68.2 | -178.1 | -178.3 | 176.1 | 0 | 109.8 | N240 V244 | N240-K242 PolarHBondContact O-N 3.48Å; K242-V244 PolarHBondContact O-N 2.94Å |
| 243 | V | 94.3 | Very high | 91 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 128.5 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | R245 I256 Y261 K264 F266 | V243-R245 VanDerWaalsContact CG1-NH1 3.34Å; V243-I256 HydrophobicContact CG1-CG2 3.13Å; V243-Y261 HydrophobicContact CG2-CD1 3.78Å; V243-Y261 HydrophobicContact CG2-CE1 3.72Å; V243-K264 PolarHBondContact N-O 3.17Å; V243-F266 HydrophobicContact CB-CE1 4.49Å; V243-F266 HydrophobicContact CB-CZ 4.32Å; V243-F266 HydrophobicContact CG1-CE1 4.24Å; V243-F266 HydrophobicContact CG1-CZ 3.96Å; V243-F266 HydrophobicContact CG2-CD1 3.71Å; V243-F266 HydrophobicContact CG2-CD2 4.23Å; V243-F266 HydrophobicContact CG2-CE1 3.6Å; V243-F266 HydrophobicContact CG2-CE2 4.12Å; V243-F266 HydrophobicContact CG2-CG 4.03Å; V243-F266 HydrophobicContact CG2-CZ 3.82Å |
| 244 | V | 93.5 | Very high | 90.5 | Very high | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 122.8 | 173.7 | -172 | 0 | 0 | 0 | 0 | 108.4 | K242 E255 I256 | K242-V244 PolarHBondContact O-N 2.94Å; V244-E255 HydrophobicContact CB-CG 4.48Å; V244-E255 HydrophobicContact CG1-CG 3.88Å; V244-E255 WeakPolarHBondContact O-CA 3.38Å; V244-I256 PolarHBondContact O-N 3.09Å |
| 245 | R | 94.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 79 Ų | 79 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 151.1 | 178.6 | -61.8 | -56.4 | -166.7 | -160.6 | -2.9 | 110.7 | V243 N247 S248 I256 S257 D258 Y261 P262 E263 | V243-R245 VanDerWaalsContact CG1-NH1 3.34Å; R245-N247 PolarHBondContact O-N 3.15Å; R245-N247 VanDerWaalsContact O-N 3.08Å; R245-S248 PolarHBondContact N-OG 3.02Å; R245-S248 VanDerWaalsContact N-OG 3.11Å; R245-S248 WeakPolarHBondContact O-CB 3.47Å; R245-S248 PolarHBondContact O-N 2.87Å; R245-S248 PolarHBondContact O-OG 3.06Å; R245-I256 WeakPolarHBondContact CD-O 3.39Å; R245-I256 PolarHBondContact NH1-O 3.11Å; R245-S257 PolarHBondContact NH1-O 3.49Å; R245-D258 IonicContact CZ-OD1 2.75Å; R245-D258 IonicContact NE-OD1 2.9Å; R245-D258 PolarHBondContact NE-OD1 3.01Å; R245-D258 IonicContact NE-OD2 3.65Å; R245-D258 IonicContact NH1-OD1 3.95Å; R245-D258 IonicContact NH2-OD1 2.72Å; R245-D258 PolarHBondContact NH2-OD1 3.38Å; R245-Y261 VanDerWaalsContact CZ-O 3.25Å; R245-Y261 PolarHBondContact NH1-O 2.99Å; R245-Y261 PolarHBondContact NH2-O 2.77Å; R245-P262 PolarHBondContact NH2-O 2.96Å; R245-E263 PolarHBondContact NH2-O 2.97Å; R245-E263 VanDerWaalsContact NH2-O 3.12Å |
| 246 | P | 90.6 | Very high | 90.1 | Very high | 56 Ų | 56 | 79 Ų | 79 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28.5 | 177.9 | -28.1 | 35 | 0 | 0 | 0 | 115.4 | S248 E255 | P246-S248 VanDerWaalsContact C-N 3.29Å; P246-S248 PolarHBondContact O-N 3.48Å; P246-E255 WeakPolarHBondContact CA-OE2 3.44Å; P246-E255 HydrophobicContact CG-CB 4.36Å |
| 247 | N | 87.4 | Confident | 90.2 | Very high | 168 Ų | 168 | 79.7 Ų | 79.7 | 90% | 0.898 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 13.7 | 178.4 | -60.1 | -23.9 | 0 | 0 | 0 | 113.3 | R245 | R245-N247 PolarHBondContact O-N 3.15Å; R245-N247 VanDerWaalsContact O-N 3.08Å |
| 248 | S | 83.8 | Confident | 90.1 | Very high | 39 Ų | 39 | 84 Ų | 84 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -74.6 | 147.7 | 178.8 | -55 | 0 | 0 | 0 | 0 | 110.7 | R245 P246 K250 | R245-S248 PolarHBondContact N-OG 3.02Å; R245-S248 VanDerWaalsContact N-OG 3.11Å; R245-S248 WeakPolarHBondContact O-CB 3.47Å; R245-S248 PolarHBondContact O-N 2.87Å; R245-S248 PolarHBondContact O-OG 3.06Å; P246-S248 VanDerWaalsContact C-N 3.29Å; P246-S248 PolarHBondContact O-N 3.48Å; S248-K250 PolarHBondContact O-N 3.5Å |
| 249 | I | 81.6 | Confident | 90.1 | Very high | 172 Ų | 172 | 92.4 Ų | 92.4 | 88% | 0.882 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -58.7 | -32.4 | 176.2 | -61.6 | 169 | 0 | 0 | 0 | 111.6 | ||
| 250 | K | 79.2 | Confident | 90 | Very high | 174 Ų | 174 | 93.9 Ų | 93.9 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -99.7 | 108.5 | 178.5 | -66.1 | -174 | 179.5 | -174.9 | 0 | 109.1 | S248 | S248-K250 PolarHBondContact O-N 3.5Š|
| 251 | H | 82.2 | Confident | 90 | Very high | 160 Ų | 160 | 88.7 Ų | 88.7 | 74% | 0.741 | 43% | 0.432 | S | S | * | . | trans | -62.9 | 137.7 | 171.4 | -69.5 | -60.5 | 0 | 0 | 0 | 110.9 | E255 | H251-E255 WeakPolarHBondContact CA-OE1 3.32Å; H251-E255 IonicContact ND1-OE1 3.38Å; H251-E255 PolarHBondContact ND1-OE1 3.38Å | ||
| 252 | S | 84.8 | Confident | 90.1 | Very high | 39 Ų | 39 | 89.8 Ų | 89.8 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | trans | -138 | 140 | 177.7 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | W254 E255 | S252-W254 PolarHBondContact O-N 3.26Å; S252-W254 PolarHBondContact OG-N 3.46Å; S252-W254 VanDerWaalsContact OG-N 3.16Å; S252-E255 PolarHBondContact N-OE1 3.32Å; S252-E255 VanDerWaalsContact O-CG 3.25Å; S252-E255 WeakPolarHBondContact O-CG 3.23Å; S252-E255 PolarHBondContact O-N 2.98Å | ||
| 253 | K | 86.4 | Confident | 90.1 | Very high | 143 Ų | 143 | 87.5 Ų | 87.5 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15 | 170.7 | 69.5 | 174.4 | -179.1 | 162.8 | 0 | 113 | W296 | K253-W296 WeakPolarHBondContact O-CH2 3.35Š|
| 254 | W | 88.2 | Confident | 90.2 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 37% | 0.371 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 23.6 | -177.7 | -51.3 | 116 | 0 | 0 | 0 | 113.6 | Y179 S252 W296 I297 | Y179-W254 HydrophobicContact CE1-CZ3 4.27Å; Y179-W254 HydrophobicContact CE2-CH2 4.35Å; Y179-W254 HydrophobicContact CE2-CZ3 4.39Å; Y179-W254 AromaticContact CZ-CH2 3.84Å; Y179-W254 AromaticContact CZ-CZ3 3.62Å; Y179-W254 WeakPolarHBondContact OH-CH2 3.38Å; Y179-W254 WeakPolarHBondContact OH-CZ2 3.32Å; Y179-W254 WeakPolarHBondContact OH-CZ3 3.12Å; S252-W254 PolarHBondContact O-N 3.26Å; S252-W254 PolarHBondContact OG-N 3.46Å; S252-W254 VanDerWaalsContact OG-N 3.16Å; W254-W296 HydrophobicContact CD2-CH2 4.46Å; W254-W296 AromaticContact CE3-CH2 3.51Å; W254-W296 HydrophobicContact CE3-CH2 3.51Å; W254-W296 AromaticContact CE3-CZ3 3.73Å; W254-W296 HydrophobicContact CE3-CZ3 3.73Å; W254-W296 HydrophobicContact CZ3-CH2 4.09Å; W254-W296 AromaticContact CZ3-CZ3 3.83Å; W254-W296 HydrophobicContact CZ3-CZ3 3.83Å; W254-I297 HydrophobicContact CB-CD1 4.37Å; W254-I297 HydrophobicContact CE3-CD1 4.46Å; W254-I297 HydrophobicContact CE3-CG1 4.25Å; W254-I297 HydrophobicContact CE3-CG2 4.39Å; W254-I297 HydrophobicContact CZ3-CG2 4.44Å |
| 255 | E | 91.9 | Very high | 90.3 | Very high | 46 Ų | 46 | 96.7 Ų | 96.7 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | trans | -63.9 | 136 | 175.1 | -79 | 165 | -162.8 | 0 | 0 | 112 | V244 P246 H251 S252 | V244-E255 HydrophobicContact CB-CG 4.48Å; V244-E255 HydrophobicContact CG1-CG 3.88Å; V244-E255 WeakPolarHBondContact O-CA 3.38Å; P246-E255 WeakPolarHBondContact CA-OE2 3.44Å; P246-E255 HydrophobicContact CG-CB 4.36Å; H251-E255 WeakPolarHBondContact CA-OE1 3.32Å; H251-E255 IonicContact ND1-OE1 3.38Å; H251-E255 PolarHBondContact ND1-OE1 3.38Å; S252-E255 PolarHBondContact N-OE1 3.32Å; S252-E255 VanDerWaalsContact O-CG 3.25Å; S252-E255 WeakPolarHBondContact O-CG 3.23Å; S252-E255 PolarHBondContact O-N 2.98Å | ||
| 256 | I | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 95.8 Ų | 95.8 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -140.3 | 132.2 | 176.7 | -171.9 | 168.3 | 0 | 0 | 0 | 110.7 | V243 V244 R245 E260 F266 I295 | V243-I256 HydrophobicContact CG1-CG2 3.13Å; V244-I256 PolarHBondContact O-N 3.09Å; R245-I256 WeakPolarHBondContact CD-O 3.39Å; R245-I256 PolarHBondContact NH1-O 3.11Å; I256-E260 HydrophobicContact CD1-CB 3.89Å; I256-E260 HydrophobicContact CG1-CB 3.53Å; I256-E260 HydrophobicContact CG1-CG 4.4Å; I256-F266 HydrophobicContact CG2-CE1 4.31Å; I256-F266 HydrophobicContact CG2-CZ 3.95Å; I256-I295 HydrophobicContact CD1-CB 3.66Å; I256-I295 HydrophobicContact CD1-CD1 4.24Å; I256-I295 HydrophobicContact CD1-CG2 3.67Å | ||
| 257 | S | 93.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 93.6 Ų | 93.6 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | trans | -71.5 | 157.1 | -176.5 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | R245 K259 E260 Y261 | R245-S257 PolarHBondContact NH1-O 3.49Å; S257-K259 PolarHBondContact O-N 2.97Å; S257-E260 WeakPolarHBondContact CB-OE2 3.2Å; S257-E260 PolarHBondContact N-OE2 3.33Å; S257-E260 PolarHBondContact O-N 2.96Å; S257-E260 VanDerWaalsContact O-N 3.15Å; S257-E260 WeakPolarHBondContact OG-CG 3.43Å; S257-E260 PolarHBondContact OG-N 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.22Å; S257-Y261 PolarHBondContact O-N 2.85Å | ||
| 258 | D | 93.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 87.3 Ų | 87.3 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.8 | 172.6 | -66.5 | -74.2 | 0 | 0 | 0 | 112.4 | R245 Y261 P262 | R245-D258 IonicContact CZ-OD1 2.75Å; R245-D258 IonicContact NE-OD1 2.9Å; R245-D258 PolarHBondContact NE-OD1 3.01Å; R245-D258 IonicContact NE-OD2 3.65Å; R245-D258 IonicContact NH1-OD1 3.95Å; R245-D258 IonicContact NH2-OD1 2.72Å; R245-D258 PolarHBondContact NH2-OD1 3.38Å; D258-Y261 CarbonylContact O-C 3.6Å; D258-P262 VanDerWaalsContact O-CA 3.31Å; D258-P262 WeakPolarHBondContact O-CA 3.49Å |
| 259 | K | 94.3 | Very high | 91.9 | Very high | 200 Ų | 200 | 86.9 Ų | 86.9 | 87% | 0.87 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -40.2 | 176.1 | -176.9 | -178.4 | 176.3 | -175.9 | 0 | 111.9 | S257 | S257-K259 PolarHBondContact O-N 2.97Š|
| 260 | E | 92.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 78.7 Ų | 78.7 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -41.3 | 178.7 | -71 | 165.9 | 104.2 | 0 | 0 | 111.5 | I256 S257 | I256-E260 HydrophobicContact CD1-CB 3.89Å; I256-E260 HydrophobicContact CG1-CB 3.53Å; I256-E260 HydrophobicContact CG1-CG 4.4Å; S257-E260 WeakPolarHBondContact CB-OE2 3.2Å; S257-E260 PolarHBondContact N-OE2 3.33Å; S257-E260 PolarHBondContact O-N 2.96Å; S257-E260 VanDerWaalsContact O-N 3.15Å; S257-E260 WeakPolarHBondContact OG-CG 3.43Å; S257-E260 PolarHBondContact OG-N 3.4Å; S257-E260 PolarHBondContact OG-OE2 3.22Å |
| 261 | Y | 95.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 73 Ų | 73 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | trans | -144.7 | 103.8 | 179.1 | -173.1 | -104.1 | 0 | 0 | 0 | 110.9 | V243 R245 S257 D258 E263 I265 F266 P267 I295 I305 | V243-Y261 HydrophobicContact CG2-CD1 3.78Å; V243-Y261 HydrophobicContact CG2-CE1 3.72Å; R245-Y261 VanDerWaalsContact CZ-O 3.25Å; R245-Y261 PolarHBondContact NH1-O 2.99Å; R245-Y261 PolarHBondContact NH2-O 2.77Å; S257-Y261 PolarHBondContact O-N 2.85Å; D258-Y261 CarbonylContact O-C 3.6Å; Y261-E263 HydrophobicContact CD1-CB 4.26Å; Y261-E263 WeakPolarHBondContact CD1-O 3.49Å; Y261-E263 HydrophobicContact CE1-CB 3.53Å; Y261-E263 HydrophobicContact CE1-CG 4.38Å; Y261-E263 WeakPolarHBondContact CE1-O 3.43Å; Y261-E263 HydrophobicContact CE2-CB 4.44Å; Y261-E263 HydrophobicContact CE2-CG 4.46Å; Y261-E263 PolarHBondContact O-N 3.01Å; Y261-I265 PolarHBondContact OH-O 2.74Å; Y261-F266 AromaticContact CD1-CD1 4Å; Y261-F266 HydrophobicContact CD1-CD1 4Å; Y261-F266 AromaticContact CD1-CE1 3.79Å; Y261-F266 HydrophobicContact CD1-CE1 3.79Å; Y261-F266 AromaticContact CE1-CD1 3.56Å; Y261-F266 HydrophobicContact CE1-CD1 3.56Å; Y261-F266 AromaticContact CE1-CE1 3.87Å; Y261-F266 HydrophobicContact CE1-CE1 3.87Å; Y261-F266 HydrophobicContact CG-CE1 4.34Å; Y261-F266 AromaticContact CZ-CD1 3.98Å; Y261-P267 WeakPolarHBondContact OH-CD 3.49Å; Y261-I295 HydrophobicContact CD2-CG2 4.31Å; Y261-I305 HydrophobicContact CD2-CD1 3.98Å; Y261-I305 HydrophobicContact CE2-CD1 3.66Å; Y261-I305 HydrophobicContact CE2-CG1 4.21Å | ||
| 262 | P | 95.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 66 Ų | 66 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | trans | -75.8 | -22.3 | -171 | 28.2 | -35.2 | 0 | 0 | 0 | 113.9 | R245 D258 | R245-P262 PolarHBondContact NH2-O 2.96Å; D258-P262 VanDerWaalsContact O-CA 3.31Å; D258-P262 WeakPolarHBondContact O-CA 3.49Å | ||
| 263 | E | 95.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 66.5 Ų | 66.5 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | trans | -71.6 | 150.8 | -179.5 | -53.2 | -60.9 | 152.5 | 0 | 0 | 111.5 | R245 Y261 | R245-E263 PolarHBondContact NH2-O 2.97Å; R245-E263 VanDerWaalsContact NH2-O 3.12Å; Y261-E263 HydrophobicContact CD1-CB 4.26Å; Y261-E263 WeakPolarHBondContact CD1-O 3.49Å; Y261-E263 HydrophobicContact CE1-CB 3.53Å; Y261-E263 HydrophobicContact CE1-CG 4.38Å; Y261-E263 WeakPolarHBondContact CE1-O 3.43Å; Y261-E263 HydrophobicContact CE2-CB 4.44Å; Y261-E263 HydrophobicContact CE2-CG 4.46Å; Y261-E263 PolarHBondContact O-N 3.01Å | ||
| 264 | K | 95.8 | Very high | 93.6 | Very high | 170 Ų | 170 | 59.7 Ų | 59.7 | 74% | 0.739 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -84.2 | -18.1 | -177.5 | -62.1 | -178.5 | -179.2 | 178.8 | 0 | 113.7 | V243 | V243-K264 PolarHBondContact N-O 3.17Š|
| 265 | I | 96.8 | Very high | 94 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -132.1 | 135.2 | -174.1 | -58.8 | 178 | 0 | 0 | 0 | 107.7 | I241 Y261 | I241-I265 WeakPolarHBondContact O-CA 3.38Å; I241-I265 WeakPolarHBondContact O-CG2 3.37Å; Y261-I265 PolarHBondContact OH-O 2.74Å |
| 266 | F | 97 | Very high | 94.3 | Very high | 16 Ų | 16 | 53 Ų | 53 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 145.3 | 172.5 | -68.3 | -47.7 | 0 | 0 | 0 | 111 | I241 V243 I256 Y261 Y269 I295 I297 V300 | I241-F266 HydrophobicContact CB-CD2 4.45Å; I241-F266 HydrophobicContact CG2-CD2 4.14Å; I241-F266 PolarHBondContact O-N 3.37Å; V243-F266 HydrophobicContact CB-CE1 4.49Å; V243-F266 HydrophobicContact CB-CZ 4.32Å; V243-F266 HydrophobicContact CG1-CE1 4.24Å; V243-F266 HydrophobicContact CG1-CZ 3.96Å; V243-F266 HydrophobicContact CG2-CD1 3.71Å; V243-F266 HydrophobicContact CG2-CD2 4.23Å; V243-F266 HydrophobicContact CG2-CE1 3.6Å; V243-F266 HydrophobicContact CG2-CE2 4.12Å; V243-F266 HydrophobicContact CG2-CG 4.03Å; V243-F266 HydrophobicContact CG2-CZ 3.82Å; I256-F266 HydrophobicContact CG2-CE1 4.31Å; I256-F266 HydrophobicContact CG2-CZ 3.95Å; Y261-F266 AromaticContact CD1-CD1 4Å; Y261-F266 HydrophobicContact CD1-CD1 4Å; Y261-F266 AromaticContact CD1-CE1 3.79Å; Y261-F266 HydrophobicContact CD1-CE1 3.79Å; Y261-F266 AromaticContact CE1-CD1 3.56Å; Y261-F266 HydrophobicContact CE1-CD1 3.56Å; Y261-F266 AromaticContact CE1-CE1 3.87Å; Y261-F266 HydrophobicContact CE1-CE1 3.87Å; Y261-F266 HydrophobicContact CG-CE1 4.34Å; Y261-F266 AromaticContact CZ-CD1 3.98Å; F266-Y269 HydrophobicContact CB-CE1 4.5Å; F266-I295 HydrophobicContact CE1-CD1 4.49Å; F266-I297 HydrophobicContact CZ-CD1 4.02Å; F266-V300 HydrophobicContact CB-CG1 4.11Å; F266-V300 HydrophobicContact CD1-CG1 3.47Å; F266-V300 VanDerWaalsContact CD1-CG1 3.47Å; F266-V300 HydrophobicContact CD2-CG1 4.49Å; F266-V300 HydrophobicContact CD2-CG2 4.23Å; F266-V300 HydrophobicContact CE1-CG1 3.91Å; F266-V300 HydrophobicContact CE2-CG2 4.45Å; F266-V300 HydrophobicContact CG-CG1 3.8Å; F266-V300 HydrophobicContact CG-CG2 4.28Å |
| 267 | P | 97.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 160.8 | 169.8 | 31 | -37.5 | 0 | 0 | 0 | 110 | Y261 Y269 G304 I305 Q308 | Y261-P267 WeakPolarHBondContact OH-CD 3.49Å; P267-Y269 WeakPolarHBondContact O-CD1 3.48Å; P267-Y269 PolarHBondContact O-N 3.35Å; P267-G304 VanDerWaalsContact CG-C 3.45Å; P267-I305 HydrophobicContact CG-CG1 3.92Å; P267-Q308 HydrophobicContact CB-CB 4.3Å |
| 268 | T | 97.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 52 Ų | 52 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -58.9 | 125.2 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | A237 T238 S239 R314 | A237-T268 HydrophobicContact CB-CG2 4.13Å; T238-T268 WeakPolarHBondContact O-CA 3.14Å; S239-T268 WeakPolarHBondContact CB-OG1 3.29Å; S239-T268 WeakPolarHBondContact OG-CB 3.43Å; S239-T268 WeakPolarHBondContact OG-CG2 3.24Å; S239-T268 PolarHBondContact OG-OG1 2.64Å; T268-R314 VanDerWaalsContact CB-NH2 3.34Å; T268-R314 HydrophobicContact CG2-CB 4.41Å; T268-R314 PolarHBondContact O-NE 3.28Å; T268-R314 PolarHBondContact O-NH2 3.4Å |
| 269 | Y | 97.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 166.4 | -177.1 | 68.9 | -78.6 | 0 | 0 | 0 | 110.4 | A237 T238 I241 F266 P267 E271 D299 V300 | A237-Y269 CarbonylContact C-O 3.57Å; A237-Y269 WeakPolarHBondContact CA-O 3.31Å; T238-Y269 HydrophobicContact CG2-CE1 3.81Å; T238-Y269 PolarHBondContact N-O 3.02Å; T238-Y269 PolarHBondContact O-N 3.45Å; I241-Y269 HydrophobicContact CG1-CE1 4.18Å; F266-Y269 HydrophobicContact CB-CE1 4.5Å; P267-Y269 WeakPolarHBondContact O-CD1 3.48Å; P267-Y269 PolarHBondContact O-N 3.35Å; Y269-E271 HydrophobicContact CE2-CG 4.49Å; Y269-D299 HydrophobicContact CD2-CB 4.39Å; Y269-D299 WeakPolarHBondContact CE2-OD2 3.45Å; Y269-V300 HydrophobicContact CD1-CG2 4.08Å; Y269-V300 HydrophobicContact CD2-CG2 3.88Å; Y269-V300 HydrophobicContact CE1-CG2 4.13Å; Y269-V300 HydrophobicContact CE2-CG2 3.93Å; Y269-V300 HydrophobicContact CG-CG2 3.97Å |
| 270 | C | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.8 | 172 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | C235 Y275 D299 T303 | C235-C270 HydrophobicContact CB-CB 3.32Å; C235-C270 WeakPolarHBondContact CB-SG 3.21Å; C235-C270 WeakPolarHBondContact SG-CA 3.37Å; C235-C270 WeakPolarHBondContact SG-CB 3.21Å; C235-C270 CovalentContact SG-SG 2.03Å; C235-C270 PolarHBondContact SG-SG 3.12Å; C270-Y275 HydrophobicContact CB-CD1 4.39Å; C270-D299 WeakPolarHBondContact O-CB 3.47Å; C270-T303 HydrophobicContact CB-CG2 4.06Å; C270-T303 WeakPolarHBondContact CB-OG1 3.04Å; C270-T303 PolarHBondContact N-OG1 3.15Å; C270-T303 PolarHBondContact O-OG1 3.18Å |
| 271 | E | 91.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 142.4 | 176.8 | -66 | -178.9 | 174.2 | 0 | 0 | 112.6 | T236 T238 Y269 F273 Y323 | T236-E271 HydrophobicContact CG2-CG 4.11Å; T236-E271 WeakPolarHBondContact CG2-OE2 3.34Å; T236-E271 PolarHBondContact O-N 3.4Å; T238-E271 WeakPolarHBondContact OG1-CG 3.45Å; T238-E271 PolarHBondContact OG1-OE1 2.89Å; Y269-E271 HydrophobicContact CE2-CG 4.49Å; E271-F273 VanDerWaalsContact C-N 3.35Å; E271-F273 PolarHBondContact O-N 2.86Å; E271-F273 VanDerWaalsContact O-N 3.13Å; E271-Y323 HydrophobicContact CB-CE2 3.94Å; E271-Y323 PolarHBondContact O-OH 3.29Å |
| 272 | G | 84.1 | Confident | 94.7 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | -24 | -165.6 | 0 | 0 | 0 | 0 | 0 | 119 | K206 G274 D299 | K206-G272 PolarHBondContact NZ-O 3.36Å; G272-G274 PolarHBondContact O-N 2.89Å; G272-D299 PolarHBondContact N-OD2 2.76Å |
| 273 | F | 86.4 | Confident | 94.6 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -38 | -172.6 | -52.3 | -77 | 0 | 0 | 0 | 113.5 | V207 D208 T211 E271 Y323 V342 F344 | V207-F273 VanDerWaalsContact CA-O 3.29Å; V207-F273 WeakPolarHBondContact CA-O 3.16Å; D208-F273 PolarHBondContact N-O 3.11Å; T211-F273 PolarHBondContact OG1-O 2.77Å; T211-F273 VanDerWaalsContact OG1-O 3.14Å; E271-F273 VanDerWaalsContact C-N 3.35Å; E271-F273 PolarHBondContact O-N 2.86Å; E271-F273 VanDerWaalsContact O-N 3.13Å; F273-Y323 HydrophobicContact CB-CD1 3.82Å; F273-Y323 HydrophobicContact CB-CE1 3.41Å; F273-Y323 VanDerWaalsContact CB-CE1 3.41Å; F273-Y323 HydrophobicContact CB-CE2 4.24Å; F273-Y323 HydrophobicContact CB-CG 4.38Å; F273-Y323 HydrophobicContact CD2-CD1 4.18Å; F273-Y323 AromaticContact CD2-CD2 3.58Å; F273-Y323 HydrophobicContact CD2-CD2 3.58Å; F273-Y323 HydrophobicContact CD2-CE1 4.19Å; F273-Y323 AromaticContact CD2-CE2 3.55Å; F273-Y323 HydrophobicContact CD2-CE2 3.55Å; F273-Y323 AromaticContact CD2-CG 3.87Å; F273-Y323 HydrophobicContact CD2-CG 3.87Å; F273-Y323 AromaticContact CD2-CZ 3.82Å; F273-Y323 HydrophobicContact CE2-CD2 4.2Å; F273-Y323 HydrophobicContact CE2-CE2 4.43Å; F273-Y323 HydrophobicContact CG-CD1 4.29Å; F273-Y323 HydrophobicContact CG-CD2 4.46Å; F273-Y323 HydrophobicContact CG-CE1 4.22Å; F273-Y323 HydrophobicContact CG-CE2 4.36Å; F273-Y323 HydrophobicContact CG-CG 4.39Å; F273-V342 HydrophobicContact CB-CG2 3.8Å; F273-V342 HydrophobicContact CD1-CB 4.38Å; F273-V342 HydrophobicContact CD1-CG1 3.8Å; F273-V342 HydrophobicContact CD1-CG2 3.78Å; F273-V342 HydrophobicContact CE1-CG1 3.84Å; F273-V342 HydrophobicContact CG-CG2 3.82Å; F273-F344 HydrophobicContact CE1-CE1 4.31Å; F273-F344 HydrophobicContact CE1-CZ 4.11Å; F273-F344 HydrophobicContact CE2-CZ 4.19Å; F273-F344 AromaticContact CZ-CE1 3.85Å; F273-F344 HydrophobicContact CZ-CE1 3.85Å; F273-F344 HydrophobicContact CZ-CE2 4.4Å; F273-F344 AromaticContact CZ-CZ 3.46Å; F273-F344 HydrophobicContact CZ-CZ 3.46Å; F273-F344 VanDerWaalsContact CZ-CZ 3.46Å |
| 274 | G | 92.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 135.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | K206 G272 Y323 | K206-G274 CarbonylContact O-C 3.58Å; K206-G274 VanDerWaalsContact O-CA 3.24Å; K206-G274 WeakPolarHBondContact O-CA 3.33Å; G272-G274 PolarHBondContact O-N 2.89Å; G274-Y323 PolarHBondContact N-OH 2.62Å; G274-Y323 PolarHBondContact O-OH 2.85Å |
| 275 | Y | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.1 | 167.3 | 68.4 | -103.3 | 0 | 0 | 0 | 111.8 | H186 M190 V205 K206 F233 C270 M277 T303 | H186-Y275 AromaticContact CE1-CE1 3.82Å; H186-Y275 AromaticContact NE2-CE1 3.69Å; H186-Y275 AromaticContact NE2-CZ 3.66Å; H186-Y275 PolarHBondContact NE2-OH 2.98Å; M190-Y275 WeakPolarHBondContact CE-OH 3.39Å; V205-Y275 CarbonylContact C-O 3.55Å; V205-Y275 WeakPolarHBondContact CA-O 3.08Å; K206-Y275 HydrophobicContact CB-CD1 4.04Å; K206-Y275 HydrophobicContact CB-CD2 4.37Å; K206-Y275 HydrophobicContact CB-CE1 3.52Å; K206-Y275 HydrophobicContact CB-CE2 3.86Å; K206-Y275 HydrophobicContact CB-CG 4.43Å; K206-Y275 HydrophobicContact CD-CD1 4.16Å; K206-Y275 HydrophobicContact CD-CE1 3.73Å; K206-Y275 HydrophobicContact CG-CE1 3.87Å; K206-Y275 PolarHBondContact N-O 3.47Å; K206-Y275 PolarHBondContact O-N 3.16Å; F233-Y275 AromaticContact CD1-CD2 3.74Å; F233-Y275 HydrophobicContact CD1-CD2 3.74Å; F233-Y275 AromaticContact CD1-CE2 3.9Å; F233-Y275 HydrophobicContact CD1-CE2 3.9Å; F233-Y275 HydrophobicContact CD1-CG 4.36Å; F233-Y275 HydrophobicContact CE1-CD2 4.05Å; F233-Y275 AromaticContact CE1-CE2 3.72Å; F233-Y275 HydrophobicContact CE1-CE2 3.72Å; C270-Y275 HydrophobicContact CB-CD1 4.39Å; Y275-M277 HydrophobicContact CD2-CB 4.29Å; Y275-M277 HydrophobicContact CE2-CB 4.19Å; Y275-M277 HydrophobicContact CE2-CG 4.14Å; Y275-M277 HydrophobicContact CE2-SD 4.11Å; Y275-T303 HydrophobicContact CD1-CG2 4.16Å; Y275-T303 HydrophobicContact CE1-CG2 3.86Å |
| 276 | I | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.2 | 169.5 | -48.3 | -175.2 | 0 | 0 | 0 | 107.8 | F203 L204 V205 L218 L222 F233 Y234 F340 | F203-I276 HydrophobicContact CD1-CG2 4.21Å; L204-I276 CarbonylContact O-C 3.46Å; L204-I276 WeakPolarHBondContact O-CA 3.21Å; V205-I276 HydrophobicContact CG2-CG1 4.19Å; V205-I276 HydrophobicContact CG2-CG2 4.33Å; L218-I276 HydrophobicContact CD1-CD1 3.45Å; L218-I276 VanDerWaalsContact CD1-CD1 3.45Å; L218-I276 HydrophobicContact CD1-CG1 4.29Å; L222-I276 HydrophobicContact CD2-CD1 3.96Å; L222-I276 HydrophobicContact CD2-CG2 3.85Å; L222-I276 HydrophobicContact CG-CD1 4.44Å; F233-I276 CarbonylContact C-O 3.53Å; F233-I276 WeakPolarHBondContact CA-O 3.28Å; Y234-I276 HydrophobicContact CD1-CD1 4Å; Y234-I276 HydrophobicContact CD1-CG1 4.38Å; Y234-I276 PolarHBondContact N-O 3.45Å; Y234-I276 PolarHBondContact O-N 3.09Å; I276-F340 HydrophobicContact CD1-CE2 4.48Å; I276-F340 HydrophobicContact CD1-CZ 4.39Å; I276-F340 HydrophobicContact CG1-CE2 4.16Å; I276-F340 HydrophobicContact CG1-CZ 3.86Å |
| 277 | M | 97.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.7 | 168.1 | 80.4 | 176.5 | -149.8 | 0 | 0 | 112.1 | M190 L204 F233 Y275 M279 L281 A282 L285 | M190-M277 HydrophobicContact CE-CE 4.41Å; M190-M277 HydrophobicContact SD-CE 3.98Å; M190-M277 HydrophobicContact SD-SD 4.46Å; L204-M277 HydrophobicContact CB-CE 4.39Å; L204-M277 HydrophobicContact CB-CG 3.93Å; L204-M277 HydrophobicContact CD2-CE 3.69Å; L204-M277 HydrophobicContact CD2-CG 4.13Å; L204-M277 HydrophobicContact CD2-SD 3.98Å; L204-M277 HydrophobicContact CG-CG 4.47Å; L204-M277 PolarHBondContact N-O 3.35Å; L204-M277 PolarHBondContact O-N 3.32Å; F233-M277 HydrophobicContact CD1-CB 3.6Å; F233-M277 HydrophobicContact CD1-SD 4.33Å; F233-M277 HydrophobicContact CE1-CB 3.87Å; F233-M277 HydrophobicContact CE1-CG 4.32Å; F233-M277 HydrophobicContact CE1-SD 3.6Å; F233-M277 VanDerWaalsContact CE1-SD 3.6Å; F233-M277 HydrophobicContact CG-CB 4.24Å; F233-M277 HydrophobicContact CZ-SD 4.02Å; Y275-M277 HydrophobicContact CD2-CB 4.29Å; Y275-M277 HydrophobicContact CE2-CB 4.19Å; Y275-M277 HydrophobicContact CE2-CG 4.14Å; Y275-M277 HydrophobicContact CE2-SD 4.11Å; M277-M279 PolarHBondContact O-N 3.01Å; M277-L281 HydrophobicContact CE-CB 4.13Å; M277-L281 HydrophobicContact SD-CB 4.41Å; M277-A282 HydrophobicContact CE-CB 3.57Å; M277-L285 HydrophobicContact CE-CD1 4.3Å; M277-L285 HydrophobicContact SD-CD1 4.03Å |
| 278 | D | 96.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 116.5 | 160.8 | -175.8 | -19.8 | 0 | 0 | 0 | 109 | I28 K230 G231 L232 K280 L281 | I28-D278 WeakPolarHBondContact CD1-OD2 3.47Å; K230-D278 WeakPolarHBondContact CA-OD2 3.46Å; G231-D278 PolarHBondContact N-OD2 3.46Å; L232-D278 PolarHBondContact O-N 2.71Å; D278-K280 PolarHBondContact O-N 2.8Å; D278-K280 VanDerWaalsContact O-N 3.08Å; D278-K280 VanDerWaalsContact OD1-CB 3.27Å; D278-K280 WeakPolarHBondContact OD1-CB 3.45Å; D278-K280 WeakPolarHBondContact OD1-CG 3.5Å; D278-K280 PolarHBondContact OD1-N 3.36Å; D278-L281 HydrophobicContact CB-CD1 4.3Å; D278-L281 HydrophobicContact CB-CG 4.27Å; D278-L281 VanDerWaalsContact O-CB 3.32Å; D278-L281 WeakPolarHBondContact O-CB 3.38Å; D278-L281 WeakPolarHBondContact O-CG 3.38Å; D278-L281 PolarHBondContact O-N 3.08Å |
| 279 | M | 95.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -62.9 | -22 | -173.7 | -161.4 | 170.7 | 90.3 | 0 | 0 | 112.6 | L111 I193 C198 V201 P202 L204 M277 L281 A282 | L111-M279 HydrophobicContact CB-SD 4.4Å; L111-M279 HydrophobicContact CD2-SD 4.38Å; I193-M279 HydrophobicContact CD1-CG 4.05Å; I193-M279 HydrophobicContact CD1-SD 4.26Å; I193-M279 HydrophobicContact CG1-SD 4.49Å; I193-M279 HydrophobicContact CG2-CE 3.94Å; I193-M279 HydrophobicContact CG2-CG 3.71Å; I193-M279 HydrophobicContact CG2-SD 4.13Å; C198-M279 HydrophobicContact CB-CE 3.68Å; C198-M279 WeakPolarHBondContact O-CE 3.43Å; V201-M279 HydrophobicContact CB-CE 3.56Å; V201-M279 HydrophobicContact CB-SD 3.89Å; V201-M279 HydrophobicContact CG1-CE 4.38Å; V201-M279 HydrophobicContact CG1-SD 4.05Å; V201-M279 HydrophobicContact CG2-CE 4.28Å; V201-M279 WeakPolarHBondContact O-CB 3.34Å; V201-M279 WeakPolarHBondContact O-CE 3.45Å; P202-M279 PolarHBondContact O-N 3.33Å; L204-M279 HydrophobicContact CB-CB 4.27Å; L204-M279 HydrophobicContact CB-CG 4.01Å; L204-M279 HydrophobicContact CB-SD 4.49Å; M277-M279 PolarHBondContact O-N 3.01Å; M279-L281 PolarHBondContact O-N 3.04Å; M279-L281 VanDerWaalsContact O-N 3.11Å; M279-A282 WeakPolarHBondContact O-CB 3.33Å; M279-A282 PolarHBondContact O-N 3.47Å; M279-A282 VanDerWaalsContact O-N 3.14Å |
| 280 | K | 92.6 | Very high | 94.5 | Very high | 131 Ų | 131 | 15.3 Ų | 15.3 | 57% | 0.57 | 7% | 0.074 | S | C | * | . | G | 310 helix | trans | -61.7 | -17.3 | 174.5 | -65.1 | 179.8 | 178 | -177.3 | 0 | 113.3 | I28 D278 Y284 | I28-K280 HydrophobicContact CD1-CB 4.21Å; D278-K280 PolarHBondContact O-N 2.8Å; D278-K280 VanDerWaalsContact O-N 3.08Å; D278-K280 VanDerWaalsContact OD1-CB 3.27Å; D278-K280 WeakPolarHBondContact OD1-CB 3.45Å; D278-K280 WeakPolarHBondContact OD1-CG 3.5Å; D278-K280 PolarHBondContact OD1-N 3.36Å; K280-Y284 VanDerWaalsContact O-CD2 3.24Å; K280-Y284 WeakPolarHBondContact O-CD2 3.21Å; K280-Y284 VanDerWaalsContact O-CE2 3.27Å; K280-Y284 WeakPolarHBondContact O-CE2 3.32Å |
| 281 | L | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -74.7 | -24.3 | 177.1 | -62.5 | 175 | 0 | 0 | 0 | 113.5 | I28 M277 D278 M279 Y284 L285 I312 | I28-L281 HydrophobicContact CD1-CD2 4.36Å; I28-L281 HydrophobicContact CG2-CD2 4.05Å; M277-L281 HydrophobicContact CE-CB 4.13Å; M277-L281 HydrophobicContact SD-CB 4.41Å; D278-L281 HydrophobicContact CB-CD1 4.3Å; D278-L281 HydrophobicContact CB-CG 4.27Å; D278-L281 VanDerWaalsContact O-CB 3.32Å; D278-L281 WeakPolarHBondContact O-CB 3.38Å; D278-L281 WeakPolarHBondContact O-CG 3.38Å; D278-L281 PolarHBondContact O-N 3.08Å; M279-L281 PolarHBondContact O-N 3.04Å; M279-L281 VanDerWaalsContact O-N 3.11Å; L281-Y284 PolarHBondContact O-N 3.3Å; L281-L285 HydrophobicContact CB-CD1 4.24Å; L281-L285 PolarHBondContact O-N 3.15Å; L281-L285 VanDerWaalsContact O-N 3.07Å; L281-I312 HydrophobicContact CB-CD1 4.44Å; L281-I312 HydrophobicContact CD1-CD1 4.44Å; L281-I312 HydrophobicContact CD1-CG2 3.63Å; L281-I312 HydrophobicContact CD2-CD1 3.88Å; L281-I312 HydrophobicContact CD2-CG1 4.09Å; L281-I312 HydrophobicContact CD2-CG2 4.34Å; L281-I312 HydrophobicContact CG-CD1 4.48Å |
| 282 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.1 | -48.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M190 I193 M277 M279 Y284 L285 Y286 | M190-A282 HydrophobicContact SD-CB 3.81Å; I193-A282 HydrophobicContact CB-CB 3.78Å; I193-A282 HydrophobicContact CD1-CB 4.05Å; I193-A282 HydrophobicContact CG2-CB 3.56Å; M277-A282 HydrophobicContact CE-CB 3.57Å; M279-A282 WeakPolarHBondContact O-CB 3.33Å; M279-A282 PolarHBondContact O-N 3.47Å; M279-A282 VanDerWaalsContact O-N 3.14Å; A282-Y284 VanDerWaalsContact C-N 3.33Å; A282-Y284 PolarHBondContact O-N 3.49Å; A282-L285 PolarHBondContact O-N 2.94Å; A282-Y286 WeakPolarHBondContact O-CB 3.41Å; A282-Y286 PolarHBondContact O-N 3.35Å |
| 283 | P | 93.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 17.7 Ų | 17.7 | 8% | 0.078 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -46.6 | -50 | 169.5 | -35.6 | 39.1 | 0 | 0 | 0 | 114.8 | H62 F68 Y286 W287 | H62-P283 WeakPolarHBondContact NE2-CB 3.4Å; F68-P283 HydrophobicContact CD2-CB 3.62Å; F68-P283 HydrophobicContact CE2-CB 3.95Å; F68-P283 HydrophobicContact CG-CB 4.31Å; P283-Y286 PolarHBondContact O-N 3.27Å; P283-W287 PolarHBondContact O-N 3.23Å |
| 284 | Y | 94.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 18.8 Ų | 18.8 | 9% | 0.094 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | -175.8 | -60.2 | -94.8 | 0 | 0 | 0 | 111.4 | I28 L29 F68 D70 V74 K280 L281 A282 C288 | I28-Y284 HydrophobicContact CG2-CD2 4.14Å; I28-Y284 HydrophobicContact CG2-CE1 4.35Å; I28-Y284 HydrophobicContact CG2-CE2 3.54Å; L29-Y284 HydrophobicContact CD1-CD1 3.54Å; L29-Y284 HydrophobicContact CD1-CE1 3.97Å; L29-Y284 HydrophobicContact CD1-CG 4.42Å; L29-Y284 HydrophobicContact CD2-CD1 4.03Å; L29-Y284 HydrophobicContact CD2-CE1 4.5Å; L29-Y284 HydrophobicContact CD2-CG 4.21Å; L29-Y284 HydrophobicContact CG-CD1 3.71Å; L29-Y284 HydrophobicContact CG-CE1 3.87Å; L29-Y284 HydrophobicContact CG-CG 4.39Å; F68-Y284 HydrophobicContact CD2-CD1 4.5Å; F68-Y284 HydrophobicContact CD2-CE1 4.27Å; F68-Y284 HydrophobicContact CD2-CE2 4.27Å; F68-Y284 AromaticContact CE2-CD1 3.52Å; F68-Y284 HydrophobicContact CE2-CD1 3.52Å; F68-Y284 HydrophobicContact CE2-CD2 4.07Å; F68-Y284 AromaticContact CE2-CE1 3.63Å; F68-Y284 HydrophobicContact CE2-CE1 3.63Å; F68-Y284 HydrophobicContact CE2-CE2 4.13Å; F68-Y284 AromaticContact CE2-CG 3.77Å; F68-Y284 HydrophobicContact CE2-CG 3.77Å; F68-Y284 AromaticContact CE2-CZ 3.93Å; F68-Y284 HydrophobicContact CZ-CD1 4.23Å; D70-Y284 HydrophobicContact CB-CE1 3.75Å; D70-Y284 PolarHBondContact OD2-OH 3.31Å; D70-Y284 VanDerWaalsContact OD2-OH 3.11Å; V74-Y284 HydrophobicContact CG2-CD1 3.64Å; V74-Y284 HydrophobicContact CG2-CE1 4.49Å; V74-Y284 HydrophobicContact CG2-CG 4.44Å; K280-Y284 VanDerWaalsContact O-CD2 3.24Å; K280-Y284 WeakPolarHBondContact O-CD2 3.21Å; K280-Y284 VanDerWaalsContact O-CE2 3.27Å; K280-Y284 WeakPolarHBondContact O-CE2 3.32Å; L281-Y284 PolarHBondContact O-N 3.3Å; A282-Y284 VanDerWaalsContact C-N 3.33Å; A282-Y284 PolarHBondContact O-N 3.49Å; Y284-C288 WeakPolarHBondContact O-CB 3.3Å; Y284-C288 PolarHBondContact O-N 2.57Å |
| 285 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.6 | -67.7 | 161.6 | 0 | 0 | 0 | 110.7 | M190 F233 M277 L281 A282 W287 C288 S289 V302 L306 L310 I312 | M190-L285 HydrophobicContact CG-CB 4.27Å; M190-L285 HydrophobicContact SD-CB 4.26Å; M190-L285 HydrophobicContact SD-CD1 3.83Å; F233-L285 HydrophobicContact CE1-CD1 4.48Å; F233-L285 HydrophobicContact CE2-CD1 4.32Å; F233-L285 HydrophobicContact CE2-CD2 4.48Å; F233-L285 HydrophobicContact CZ-CD1 3.6Å; F233-L285 HydrophobicContact CZ-CD2 4.29Å; M277-L285 HydrophobicContact CE-CD1 4.3Å; M277-L285 HydrophobicContact SD-CD1 4.03Å; L281-L285 HydrophobicContact CB-CD1 4.24Å; L281-L285 PolarHBondContact O-N 3.15Å; L281-L285 VanDerWaalsContact O-N 3.07Å; A282-L285 PolarHBondContact O-N 2.94Å; L285-W287 PolarHBondContact O-N 2.9Å; L285-C288 PolarHBondContact O-N 3.48Å; L285-S289 PolarHBondContact O-N 3.38Å; L285-V302 HydrophobicContact CD1-CG1 4.42Å; L285-V302 HydrophobicContact CD2-CG1 4.45Å; L285-L306 HydrophobicContact CD2-CB 3.9Å; L285-L306 WeakPolarHBondContact O-CD1 3.22Å; L285-L310 HydrophobicContact CD2-CD1 3.99Å; L285-L310 HydrophobicContact CG-CD1 4.33Å; L285-I312 HydrophobicContact CD2-CD1 4.05Å; L285-I312 HydrophobicContact CG-CD1 4.28Å |
| 286 | Y | 96.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 177.7 | 175.8 | -122.6 | 0 | 0 | 0 | 112.2 | I187 E191 S194 A282 P283 S289 M290 | I187-Y286 HydrophobicContact CG2-CD2 3.95Å; I187-Y286 HydrophobicContact CG2-CE2 4.23Å; E191-Y286 HydrophobicContact CB-CD2 3.69Å; E191-Y286 HydrophobicContact CB-CE1 4.39Å; E191-Y286 HydrophobicContact CB-CE2 3.48Å; E191-Y286 VanDerWaalsContact CB-CE2 3.48Å; E191-Y286 HydrophobicContact CB-CG 4.26Å; E191-Y286 VanDerWaalsContact CD-OH 3.32Å; E191-Y286 HydrophobicContact CG-CD2 4.34Å; E191-Y286 HydrophobicContact CG-CE1 4.07Å; E191-Y286 HydrophobicContact CG-CE2 3.71Å; E191-Y286 PolarHBondContact OE1-OH 3.43Å; E191-Y286 VanDerWaalsContact OE1-OH 3.05Å; S194-Y286 VanDerWaalsContact OG-CD1 3.32Å; S194-Y286 WeakPolarHBondContact OG-CD1 3.47Å; A282-Y286 WeakPolarHBondContact O-CB 3.41Å; A282-Y286 PolarHBondContact O-N 3.35Å; P283-Y286 PolarHBondContact O-N 3.27Å; Y286-S289 WeakPolarHBondContact O-CB 3.46Å; Y286-S289 PolarHBondContact O-N 3.26Å; Y286-S289 PolarHBondContact O-OG 3.18Å; Y286-M290 HydrophobicContact CD1-CE 3.91Å; Y286-M290 HydrophobicContact CD2-CE 4.35Å; Y286-M290 HydrophobicContact CE1-CE 3.28Å; Y286-M290 HydrophobicContact CE2-CE 3.76Å; Y286-M290 HydrophobicContact CG-CE 4.41Å; Y286-M290 WeakPolarHBondContact OH-CE 3.38Å |
| 287 | W | 95.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 179 | -79.2 | 104.7 | 0 | 0 | 0 | 113 | W51 I55 K58 L59 H62 F68 I71 V74 P283 L285 S289 M290 F291 | W51-W287 HydrophobicContact CZ3-CZ3 4.22Å; I55-W287 HydrophobicContact CG2-CH2 4.09Å; I55-W287 HydrophobicContact CG2-CZ3 3.83Å; K58-W287 HydrophobicContact CB-CH2 4.46Å; L59-W287 HydrophobicContact CB-CH2 3.7Å; L59-W287 HydrophobicContact CB-CZ2 3.99Å; L59-W287 HydrophobicContact CD1-CH2 3.89Å; L59-W287 HydrophobicContact CD1-CZ2 3.7Å; L59-W287 HydrophobicContact CG-CH2 4.36Å; L59-W287 HydrophobicContact CG-CZ2 4.47Å; H62-W287 HydrophobicContact CB-CZ2 4.35Å; H62-W287 AromaticContact CD2-CD1 3.91Å; H62-W287 AromaticContact CD2-NE1 3.08Å; H62-W287 PolarHBondContact CD2-NE1 3.32Å; H62-W287 AromaticContact CE1-NE1 3.94Å; H62-W287 AromaticContact CG-NE1 3.61Å; H62-W287 AromaticContact NE2-CD1 3.72Å; H62-W287 AromaticContact NE2-NE1 3.33Å; H62-W287 PolarHBondContact NE2-NE1 3.35Å; F68-W287 AromaticContact CD1-CD1 3.93Å; F68-W287 AromaticContact CD1-NE1 3.94Å; F68-W287 HydrophobicContact CE1-CB 4.47Å; F68-W287 AromaticContact CE1-CD1 3.39Å; F68-W287 HydrophobicContact CE1-CD2 4.49Å; F68-W287 AromaticContact CE1-CG 3.89Å; F68-W287 HydrophobicContact CE1-CG 3.89Å; F68-W287 AromaticContact CE1-NE1 3.78Å; F68-W287 HydrophobicContact CZ-CB 4.28Å; F68-W287 AromaticContact CZ-CD1 3.66Å; F68-W287 HydrophobicContact CZ-CG 4.11Å; I71-W287 HydrophobicContact CD1-CB 4.35Å; I71-W287 HydrophobicContact CD1-CD2 3.7Å; I71-W287 HydrophobicContact CD1-CE3 3.53Å; I71-W287 HydrophobicContact CD1-CG 4.06Å; I71-W287 HydrophobicContact CD1-CZ3 4.1Å; V74-W287 HydrophobicContact CG1-CB 3.83Å; P283-W287 PolarHBondContact O-N 3.23Å; L285-W287 PolarHBondContact O-N 2.9Å; W287-S289 PolarHBondContact O-N 3.47Å; W287-M290 HydrophobicContact CD2-CE 4.26Å; W287-M290 HydrophobicContact CE3-CE 3.95Å; W287-M290 HydrophobicContact CE3-SD 3.68Å; W287-M290 HydrophobicContact CH2-CE 4.46Å; W287-M290 HydrophobicContact CZ3-CE 4.08Å; W287-M290 HydrophobicContact CZ3-SD 3.74Å; W287-M290 PolarHBondContact O-N 3.23Å; W287-F291 WeakPolarHBondContact O-CD2 3.35Å; W287-F291 WeakPolarHBondContact O-CE2 3.44Å |
| 288 | C | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | V74 C78 Y284 L285 M290 F291 Q292 L306 L310 | V74-C288 HydrophobicContact CG1-CB 4.12Å; C78-C288 HydrophobicContact CB-CB 3.94Å; C78-C288 WeakPolarHBondContact CB-SG 3.46Å; C78-C288 WeakPolarHBondContact SG-CB 3.3Å; C78-C288 CovalentContact SG-SG 2.04Å; C78-C288 PolarHBondContact SG-SG 3.35Å; Y284-C288 WeakPolarHBondContact O-CB 3.3Å; Y284-C288 PolarHBondContact O-N 2.57Å; L285-C288 PolarHBondContact O-N 3.48Å; C288-M290 PolarHBondContact O-N 3.31Å; C288-F291 PolarHBondContact O-N 3.11Å; C288-Q292 PolarHBondContact O-N 2.98Å; C288-L306 HydrophobicContact CB-CD2 4.38Å; C288-L310 HydrophobicContact CB-CD1 3.79Å; C288-L310 HydrophobicContact CB-CD2 4.08Å; C288-L310 HydrophobicContact CB-CG 4.02Å |
| 289 | S | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -30.4 | 178.9 | 83.6 | 0 | 0 | 0 | 0 | 113 | L285 Y286 W287 F291 Q292 Y301 | L285-S289 PolarHBondContact O-N 3.38Å; Y286-S289 WeakPolarHBondContact O-CB 3.46Å; Y286-S289 PolarHBondContact O-N 3.26Å; Y286-S289 PolarHBondContact O-OG 3.18Å; W287-S289 PolarHBondContact O-N 3.47Å; S289-F291 PolarHBondContact O-N 3.37Å; S289-F291 VanDerWaalsContact O-N 3.17Å; S289-Q292 PolarHBondContact O-N 3.17Å; S289-Y301 WeakPolarHBondContact CA-OH 3.36Å; S289-Y301 PolarHBondContact O-OH 3.03Å; S289-Y301 VanDerWaalsContact O-OH 3.11Å |
| 290 | M | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.3 | 179.7 | -56.7 | -175.7 | -166.6 | 0 | 0 | 113.8 | I55 P86 I87 L88 Y286 W287 C288 | I55-M290 HydrophobicContact CD1-SD 4.13Å; P86-M290 WeakPolarHBondContact CA-O 3.45Å; P86-M290 HydrophobicContact CB-CB 3.73Å; P86-M290 HydrophobicContact CB-SD 4.08Å; I87-M290 PolarHBondContact N-O 3.41Å; I87-M290 VanDerWaalsContact O-CA 3.25Å; I87-M290 WeakPolarHBondContact O-CA 3.42Å; L88-M290 HydrophobicContact CD2-CE 3.5Å; L88-M290 VanDerWaalsContact CD2-CE 3.5Å; L88-M290 HydrophobicContact CD2-CG 4.33Å; L88-M290 HydrophobicContact CD2-SD 3.81Å; Y286-M290 HydrophobicContact CD1-CE 3.91Å; Y286-M290 HydrophobicContact CD2-CE 4.35Å; Y286-M290 HydrophobicContact CE1-CE 3.28Å; Y286-M290 HydrophobicContact CE2-CE 3.76Å; Y286-M290 HydrophobicContact CG-CE 4.41Å; Y286-M290 WeakPolarHBondContact OH-CE 3.38Å; W287-M290 HydrophobicContact CD2-CE 4.26Å; W287-M290 HydrophobicContact CE3-CE 3.95Å; W287-M290 HydrophobicContact CE3-SD 3.68Å; W287-M290 HydrophobicContact CH2-CE 4.46Å; W287-M290 HydrophobicContact CZ3-CE 4.08Å; W287-M290 HydrophobicContact CZ3-SD 3.74Å; W287-M290 PolarHBondContact O-N 3.23Å; C288-M290 PolarHBondContact O-N 3.31Å |
| 291 | F | 96.7 | Very high | 95.9 | Very high | 17 Ų | 17 | 14.6 Ų | 14.6 | 8% | 0.075 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -0.7 | -178.7 | -56.2 | -70.9 | 0 | 0 | 0 | 113.1 | W51 F75 C78 A79 A84 P86 W287 C288 S289 | W51-F291 AromaticContact CH2-CZ 3.79Å; W51-F291 HydrophobicContact CH2-CZ 3.79Å; W51-F291 HydrophobicContact CZ2-CE1 4.06Å; W51-F291 AromaticContact CZ2-CZ 3.71Å; W51-F291 HydrophobicContact CZ2-CZ 3.71Å; F75-F291 HydrophobicContact CD2-CD1 4.36Å; F75-F291 AromaticContact CD2-CE1 3.67Å; F75-F291 HydrophobicContact CD2-CE1 3.67Å; F75-F291 HydrophobicContact CD2-CE2 4.39Å; F75-F291 AromaticContact CD2-CZ 3.7Å; F75-F291 HydrophobicContact CD2-CZ 3.7Å; F75-F291 HydrophobicContact CE2-CD1 4.42Å; F75-F291 AromaticContact CE2-CE1 3.81Å; F75-F291 HydrophobicContact CE2-CE1 3.81Å; F75-F291 HydrophobicContact CE2-CZ 4.29Å; C78-F291 HydrophobicContact CB-CB 4.07Å; C78-F291 HydrophobicContact CB-CD2 4.27Å; C78-F291 VanDerWaalsContact O-CB 3.27Å; C78-F291 WeakPolarHBondContact O-CB 3.25Å; A79-F291 HydrophobicContact CB-CD1 4.3Å; A84-F291 HydrophobicContact CB-CD1 4.34Å; P86-F291 HydrophobicContact CB-CD1 4.42Å; P86-F291 HydrophobicContact CB-CE1 3.71Å; P86-F291 HydrophobicContact CB-CZ 3.84Å; P86-F291 HydrophobicContact CG-CE1 4.18Å; P86-F291 HydrophobicContact CG-CZ 4.33Å; W287-F291 WeakPolarHBondContact O-CD2 3.35Å; W287-F291 WeakPolarHBondContact O-CE2 3.44Å; C288-F291 PolarHBondContact O-N 3.11Å; S289-F291 PolarHBondContact O-N 3.37Å; S289-F291 VanDerWaalsContact O-N 3.17Å |
| 292 | Q | 96 | Very high | 96.1 | Very high | 30 Ų | 30 | 14.5 Ų | 14.5 | 14% | 0.14 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -121 | 129.5 | -174.7 | -68.6 | -63.1 | -50.7 | 0 | 0 | 110.6 | C78 C288 S289 Y301 L306 N309 | C78-Q292 PolarHBondContact O-NE2 2.84Å; C288-Q292 PolarHBondContact O-N 2.98Å; S289-Q292 PolarHBondContact O-N 3.17Å; Q292-Y301 HydrophobicContact CB-CE2 4.25Å; Q292-Y301 PolarHBondContact O-OH 3.23Å; Q292-L306 HydrophobicContact CB-CD2 3.68Å; Q292-L306 HydrophobicContact CG-CD2 3.77Å; Q292-N309 PolarHBondContact OE1-ND2 2.81Å; Q292-N309 VanDerWaalsContact OE1-ND2 3.1Å |
| 293 | P | 94.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 14.5 Ų | 14.5 | 46% | 0.461 | 8% | 0.081 | S | C | . | . | trans | -61.6 | 125.2 | 178 | 26.8 | -33 | 0 | 0 | 0 | 109.8 | Y301 | P293-Y301 WeakPolarHBondContact O-CE2 3.27Š| ||
| 294 | P | 95.3 | Very high | 96.4 | Very high | 73 Ų | 73 | 14 Ų | 14 | 47% | 0.474 | 8% | 0.077 | S | C | . | . | trans | -70.6 | 143.9 | -179.3 | 29.7 | -34.6 | 0 | 0 | 0 | 111.3 | I89 T183 Y301 | I89-P294 HydrophobicContact CD1-CB 4.17Å; I89-P294 HydrophobicContact CG1-CB 4.35Å; I89-P294 HydrophobicContact CG1-CG 4.37Å; T183-P294 HydrophobicContact CG2-CB 4.2Å; P294-Y301 VanDerWaalsContact CA-CE2 3.46Å; P294-Y301 HydrophobicContact CB-CE2 4.31Å | ||
| 295 | I | 95.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | trans | -107.5 | 159.1 | 160.3 | 65.1 | 169.7 | 0 | 0 | 0 | 108.1 | T183 I256 Y261 F266 I297 V300 Y301 I305 | T183-I295 VanDerWaalsContact CB-O 3.3Å; T183-I295 WeakPolarHBondContact CB-O 3.25Å; T183-I295 PolarHBondContact OG1-O 3.41Å; I256-I295 HydrophobicContact CD1-CB 3.66Å; I256-I295 HydrophobicContact CD1-CD1 4.24Å; I256-I295 HydrophobicContact CD1-CG2 3.67Å; Y261-I295 HydrophobicContact CD2-CG2 4.31Å; F266-I295 HydrophobicContact CE1-CD1 4.49Å; I295-I297 VanDerWaalsContact C-N 3.33Å; I295-I297 HydrophobicContact CD1-CB 4.23Å; I295-V300 HydrophobicContact CD1-CB 3.97Å; I295-V300 HydrophobicContact CD1-CG1 3.63Å; I295-Y301 HydrophobicContact CG1-CD2 4.17Å; I295-Y301 HydrophobicContact CG1-CG 4.39Å; I295-I305 HydrophobicContact CD1-CD1 3.9Å; I295-I305 HydrophobicContact CG1-CD1 4.25Å | ||
| 296 | W | 94.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 13.6 Ų | 13.6 | 7% | 0.072 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -79.5 | -16.1 | -174.8 | 67.7 | -97.2 | 0 | 0 | 0 | 114 | Y179 Y180 T183 K253 W254 D298 | Y179-W296 HydrophobicContact CD1-CE3 4.12Å; Y179-W296 HydrophobicContact CD1-CH2 4.18Å; Y179-W296 AromaticContact CD1-CZ3 3.55Å; Y179-W296 HydrophobicContact CD1-CZ3 3.55Å; Y179-W296 HydrophobicContact CE1-CE3 4.07Å; Y179-W296 AromaticContact CE1-CH2 3.47Å; Y179-W296 HydrophobicContact CE1-CH2 3.47Å; Y179-W296 VanDerWaalsContact CE1-CH2 3.47Å; Y179-W296 AromaticContact CE1-CZ3 3.07Å; Y179-W296 HydrophobicContact CE1-CZ3 3.07Å; Y179-W296 AromaticContact CZ-CZ3 3.8Å; Y180-W296 HydrophobicContact CD1-CB 4.12Å; Y180-W296 AromaticContact CD1-CD2 3.88Å; Y180-W296 HydrophobicContact CD1-CD2 3.88Å; Y180-W296 HydrophobicContact CD1-CE3 4.32Å; Y180-W296 AromaticContact CD1-CG 3.78Å; Y180-W296 HydrophobicContact CD1-CG 3.78Å; Y180-W296 HydrophobicContact CE1-CD2 4.19Å; Y180-W296 HydrophobicContact CE1-CG 4.37Å; Y180-W296 WeakPolarHBondContact O-CB 3.38Å; T183-W296 PolarHBondContact OG1-O 2.87Å; K253-W296 WeakPolarHBondContact O-CH2 3.35Å; W254-W296 HydrophobicContact CD2-CH2 4.46Å; W254-W296 AromaticContact CE3-CH2 3.51Å; W254-W296 HydrophobicContact CE3-CH2 3.51Å; W254-W296 AromaticContact CE3-CZ3 3.73Å; W254-W296 HydrophobicContact CE3-CZ3 3.73Å; W254-W296 HydrophobicContact CZ3-CH2 4.09Å; W254-W296 AromaticContact CZ3-CZ3 3.83Å; W254-W296 HydrophobicContact CZ3-CZ3 3.83Å; W296-D298 PolarHBondContact O-N 2.94Å |
| 297 | I | 95.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | trans | -81 | 100.8 | 174.5 | -52.4 | 176.1 | 0 | 0 | 0 | 108.1 | W254 F266 I295 D299 V300 Y301 | W254-I297 HydrophobicContact CB-CD1 4.37Å; W254-I297 HydrophobicContact CE3-CD1 4.46Å; W254-I297 HydrophobicContact CE3-CG1 4.25Å; W254-I297 HydrophobicContact CE3-CG2 4.39Å; W254-I297 HydrophobicContact CZ3-CG2 4.44Å; F266-I297 HydrophobicContact CZ-CD1 4.02Å; I295-I297 VanDerWaalsContact C-N 3.33Å; I295-I297 HydrophobicContact CD1-CB 4.23Å; I297-D299 WeakPolarHBondContact CG2-OD1 3.47Å; I297-V300 HydrophobicContact CB-CB 4.32Å; I297-V300 HydrophobicContact CB-CG2 4.45Å; I297-V300 HydrophobicContact CG2-CB 3.9Å; I297-V300 HydrophobicContact CG2-CG2 3.6Å; I297-Y301 WeakPolarHBondContact O-CB 3.3Å; I297-Y301 PolarHBondContact O-N 3.18Å | ||
| 298 | D | 96.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.5 | -43.8 | -166 | 67.8 | -42.4 | 0 | 0 | 0 | 113.5 | H115 M182 T183 H186 W296 Y301 V302 | H115-D298 IonicContact CE1-OD2 2.67Å; H115-D298 PolarHBondContact CE1-OD2 3.02Å; H115-D298 IonicContact ND1-OD2 2.96Å; M182-D298 HydrophobicContact CB-CB 4.05Å; M182-D298 HydrophobicContact CG-CB 3.83Å; M182-D298 WeakPolarHBondContact CG-OD2 3.43Å; T183-D298 WeakPolarHBondContact OG1-CA 3.42Å; H186-D298 HydrophobicContact CB-CB 3.84Å; H186-D298 IonicContact CG-OD2 3.44Å; H186-D298 IonicContact ND1-OD2 3.96Å; H186-D298 PolarHBondContact ND1-OD2 2.63Å; W296-D298 PolarHBondContact O-N 2.94Å; D298-Y301 PolarHBondContact O-N 3.16Å; D298-Y301 VanDerWaalsContact O-N 3.16Å; D298-V302 PolarHBondContact O-N 3.13Å |
| 299 | D | 96 | Very high | 96.8 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 11% | 0.107 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | -179.3 | 67.2 | -16.3 | 0 | 0 | 0 | 111.5 | Y269 C270 G272 I297 Y301 T303 G304 | Y269-D299 HydrophobicContact CD2-CB 4.39Å; Y269-D299 WeakPolarHBondContact CE2-OD2 3.45Å; C270-D299 WeakPolarHBondContact O-CB 3.47Å; G272-D299 PolarHBondContact N-OD2 2.76Å; I297-D299 WeakPolarHBondContact CG2-OD1 3.47Å; D299-Y301 VanDerWaalsContact C-N 3.35Å; D299-Y301 PolarHBondContact O-N 3.49Å; D299-T303 WeakPolarHBondContact O-CA 3.47Å; D299-T303 WeakPolarHBondContact O-CB 3.41Å; D299-T303 PolarHBondContact O-N 3.4Å; D299-T303 PolarHBondContact O-OG1 2.96Å; D299-G304 PolarHBondContact O-N 3.5Å |
| 300 | V | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -61.5 | -41.9 | 171.8 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | F266 Y269 I295 I297 G304 I305 | F266-V300 HydrophobicContact CB-CG1 4.11Å; F266-V300 HydrophobicContact CD1-CG1 3.47Å; F266-V300 VanDerWaalsContact CD1-CG1 3.47Å; F266-V300 HydrophobicContact CD2-CG1 4.49Å; F266-V300 HydrophobicContact CD2-CG2 4.23Å; F266-V300 HydrophobicContact CE1-CG1 3.91Å; F266-V300 HydrophobicContact CE2-CG2 4.45Å; F266-V300 HydrophobicContact CG-CG1 3.8Å; F266-V300 HydrophobicContact CG-CG2 4.28Å; Y269-V300 HydrophobicContact CD1-CG2 4.08Å; Y269-V300 HydrophobicContact CD2-CG2 3.88Å; Y269-V300 HydrophobicContact CE1-CG2 4.13Å; Y269-V300 HydrophobicContact CE2-CG2 3.93Å; Y269-V300 HydrophobicContact CG-CG2 3.97Å; I295-V300 HydrophobicContact CD1-CB 3.97Å; I295-V300 HydrophobicContact CD1-CG1 3.63Å; I297-V300 HydrophobicContact CB-CB 4.32Å; I297-V300 HydrophobicContact CB-CG2 4.45Å; I297-V300 HydrophobicContact CG2-CB 3.9Å; I297-V300 HydrophobicContact CG2-CG2 3.6Å; V300-G304 CarbonylContact O-C 3.57Å; V300-G304 WeakPolarHBondContact O-CA 3.5Å; V300-G304 PolarHBondContact O-N 3.13Å; V300-G304 VanDerWaalsContact O-N 3.16Å; V300-I305 PolarHBondContact O-N 3.03Å |
| 301 | Y | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -65.8 | -58.9 | 179.8 | -175.6 | -109.9 | 0 | 0 | 0 | 111.8 | I89 T183 I187 S289 Q292 P293 P294 I295 I297 D298 D299 I305 L306 | I89-Y301 HydrophobicContact CD1-CE1 3.64Å; I89-Y301 WeakPolarHBondContact CD1-OH 3.43Å; T183-Y301 HydrophobicContact CG2-CD1 3.34Å; T183-Y301 HydrophobicContact CG2-CE1 3.81Å; T183-Y301 HydrophobicContact CG2-CG 3.92Å; I187-Y301 HydrophobicContact CD1-CD1 4.4Å; I187-Y301 HydrophobicContact CD1-CE1 4.03Å; I187-Y301 HydrophobicContact CG1-CD1 4.49Å; I187-Y301 HydrophobicContact CG1-CE1 4.2Å; S289-Y301 WeakPolarHBondContact CA-OH 3.36Å; S289-Y301 PolarHBondContact O-OH 3.03Å; S289-Y301 VanDerWaalsContact O-OH 3.11Å; Q292-Y301 HydrophobicContact CB-CE2 4.25Å; Q292-Y301 PolarHBondContact O-OH 3.23Å; P293-Y301 WeakPolarHBondContact O-CE2 3.27Å; P294-Y301 VanDerWaalsContact CA-CE2 3.46Å; P294-Y301 HydrophobicContact CB-CE2 4.31Å; I295-Y301 HydrophobicContact CG1-CD2 4.17Å; I295-Y301 HydrophobicContact CG1-CG 4.39Å; I297-Y301 WeakPolarHBondContact O-CB 3.3Å; I297-Y301 PolarHBondContact O-N 3.18Å; D298-Y301 PolarHBondContact O-N 3.16Å; D298-Y301 VanDerWaalsContact O-N 3.16Å; D299-Y301 VanDerWaalsContact C-N 3.35Å; D299-Y301 PolarHBondContact O-N 3.49Å; Y301-I305 HydrophobicContact CD2-CD1 4.21Å; Y301-I305 WeakPolarHBondContact O-CB 3.41Å; Y301-I305 PolarHBondContact O-N 2.99Å; Y301-L306 HydrophobicContact CD1-CD1 4.1Å; Y301-L306 HydrophobicContact CD1-CG 4.34Å; Y301-L306 HydrophobicContact CE1-CD1 3.7Å; Y301-L306 HydrophobicContact CE1-CD2 4.21Å; Y301-L306 HydrophobicContact CE1-CG 4.07Å; Y301-L306 HydrophobicContact CE2-CD2 4.09Å; Y301-L306 HydrophobicContact CE2-CG 4.48Å; Y301-L306 WeakPolarHBondContact O-CG 3.18Å; Y301-L306 PolarHBondContact O-N 2.74Å |
| 302 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -74.9 | -51.5 | -171.2 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | H186 I187 M190 L285 D298 A307 | H186-V302 HydrophobicContact CB-CG2 4.06Å; H186-V302 WeakPolarHBondContact ND1-CG2 3.38Å; I187-V302 HydrophobicContact CD1-CG2 3.79Å; I187-V302 HydrophobicContact CG1-CG2 4.27Å; M190-V302 HydrophobicContact CG-CG1 4.4Å; L285-V302 HydrophobicContact CD1-CG1 4.42Å; L285-V302 HydrophobicContact CD2-CG1 4.45Å; D298-V302 PolarHBondContact O-N 3.13Å; V302-A307 PolarHBondContact O-N 2.84Å |
| 303 | T | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -90.6 | -12.4 | -173.7 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | F233 C270 Y275 D299 A307 R314 | F233-T303 HydrophobicContact CD1-CG2 4.3Å; F233-T303 HydrophobicContact CE1-CG2 3.82Å; F233-T303 HydrophobicContact CZ-CG2 4.17Å; C270-T303 HydrophobicContact CB-CG2 4.06Å; C270-T303 WeakPolarHBondContact CB-OG1 3.04Å; C270-T303 PolarHBondContact N-OG1 3.15Å; C270-T303 PolarHBondContact O-OG1 3.18Å; Y275-T303 HydrophobicContact CD1-CG2 4.16Å; Y275-T303 HydrophobicContact CE1-CG2 3.86Å; D299-T303 WeakPolarHBondContact O-CA 3.47Å; D299-T303 WeakPolarHBondContact O-CB 3.41Å; D299-T303 PolarHBondContact O-N 3.4Å; D299-T303 PolarHBondContact O-OG1 2.96Å; T303-A307 WeakPolarHBondContact O-CB 3.05Å; T303-R314 WeakPolarHBondContact O-CD 3.07Å |
| 304 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -100.6 | -78.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P267 D299 V300 Q308 | P267-G304 VanDerWaalsContact CG-C 3.45Å; D299-G304 PolarHBondContact O-N 3.5Å; V300-G304 CarbonylContact O-C 3.57Å; V300-G304 WeakPolarHBondContact O-CA 3.5Å; V300-G304 PolarHBondContact O-N 3.13Å; V300-G304 VanDerWaalsContact O-N 3.16Å; G304-Q308 WeakPolarHBondContact O-CB 3.37Å; G304-Q308 PolarHBondContact O-N 2.66Å |
| 305 | I | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 9% | 0.087 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -63.4 | -53.8 | -170.5 | -62.9 | 170.7 | 0 | 0 | 0 | 111.5 | Y261 P267 I295 V300 Y301 Q308 N309 | Y261-I305 HydrophobicContact CD2-CD1 3.98Å; Y261-I305 HydrophobicContact CE2-CD1 3.66Å; Y261-I305 HydrophobicContact CE2-CG1 4.21Å; P267-I305 HydrophobicContact CG-CG1 3.92Å; I295-I305 HydrophobicContact CD1-CD1 3.9Å; I295-I305 HydrophobicContact CG1-CD1 4.25Å; V300-I305 PolarHBondContact O-N 3.03Å; Y301-I305 HydrophobicContact CD2-CD1 4.21Å; Y301-I305 WeakPolarHBondContact O-CB 3.41Å; Y301-I305 PolarHBondContact O-N 2.99Å; I305-Q308 PolarHBondContact O-N 2.04Å; I305-N309 PolarHBondContact O-N 3.27Å; I305-N309 PolarHBondContact O-ND2 2.03Å |
| 306 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -66.4 | -45.9 | -178.3 | -56.5 | -174.5 | 0 | 0 | 0 | 111.2 | I187 L285 C288 Q292 Y301 Q308 N309 L310 | I187-L306 HydrophobicContact CD1-CD1 3.97Å; L285-L306 HydrophobicContact CD2-CB 3.9Å; L285-L306 WeakPolarHBondContact O-CD1 3.22Å; C288-L306 HydrophobicContact CB-CD2 4.38Å; Q292-L306 HydrophobicContact CB-CD2 3.68Å; Q292-L306 HydrophobicContact CG-CD2 3.77Å; Y301-L306 HydrophobicContact CD1-CD1 4.1Å; Y301-L306 HydrophobicContact CD1-CG 4.34Å; Y301-L306 HydrophobicContact CE1-CD1 3.7Å; Y301-L306 HydrophobicContact CE1-CD2 4.21Å; Y301-L306 HydrophobicContact CE1-CG 4.07Å; Y301-L306 HydrophobicContact CE2-CD2 4.09Å; Y301-L306 HydrophobicContact CE2-CG 4.48Å; Y301-L306 WeakPolarHBondContact O-CG 3.18Å; Y301-L306 PolarHBondContact O-N 2.74Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.98Å; L306-N309 PolarHBondContact O-N 3.4Å; L306-L310 WeakPolarHBondContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.34Å |
| 307 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F233 V302 T303 L310 G311 I312 | F233-A307 HydrophobicContact CD2-CB 4.44Å; F233-A307 HydrophobicContact CE2-CB 3.85Å; V302-A307 PolarHBondContact O-N 2.84Å; T303-A307 WeakPolarHBondContact O-CB 3.05Å; A307-L310 CarbonylContact O-C 3.44Å; A307-L310 PolarHBondContact O-N 3.19Å; A307-G311 PolarHBondContact O-N 2.89Å; A307-I312 HydrophobicContact CB-CB 4.18Å; A307-I312 PolarHBondContact O-N 3.24Å |
| 308 | Q | 97.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 33.9 Ų | 33.9 | 48% | 0.477 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.6 | -179.2 | 177.6 | 67.5 | 0 | 0 | 111.6 | P267 G304 I305 L306 L310 G311 | P267-Q308 HydrophobicContact CB-CB 4.3Å; G304-Q308 WeakPolarHBondContact O-CB 3.37Å; G304-Q308 PolarHBondContact O-N 2.66Å; I305-Q308 PolarHBondContact O-N 2.04Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.98Å; Q308-L310 VanDerWaalsContact C-N 3.25Å; Q308-L310 PolarHBondContact O-N 3.15Å; Q308-G311 PolarHBondContact O-N 2.89Å; Q308-G311 VanDerWaalsContact O-N 3.08Å |
| 309 | N | 96.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -36.4 | 177.7 | -72.3 | -24 | 0 | 0 | 0 | 112.1 | Q292 I305 L306 G311 | Q292-N309 PolarHBondContact OE1-ND2 2.81Å; Q292-N309 VanDerWaalsContact OE1-ND2 3.1Å; I305-N309 PolarHBondContact O-N 3.27Å; I305-N309 PolarHBondContact O-ND2 2.03Å; L306-N309 PolarHBondContact O-N 3.4Å; N309-G311 VanDerWaalsContact C-N 3.31Å |
| 310 | L | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5 | 177.5 | -66.7 | 168.5 | 0 | 0 | 0 | 113.7 | L29 I31 V74 L77 L285 C288 L306 A307 Q308 I312 | L29-L310 HydrophobicContact CD1-CD2 3.79Å; L29-L310 HydrophobicContact CD2-CB 4.14Å; I31-L310 WeakPolarHBondContact CG2-O 3.44Å; V74-L310 HydrophobicContact CG1-CD2 4.38Å; V74-L310 HydrophobicContact CG2-CD2 4.13Å; L77-L310 HydrophobicContact CD1-CD2 4.3Å; L285-L310 HydrophobicContact CD2-CD1 3.99Å; L285-L310 HydrophobicContact CG-CD1 4.33Å; C288-L310 HydrophobicContact CB-CD1 3.79Å; C288-L310 HydrophobicContact CB-CD2 4.08Å; C288-L310 HydrophobicContact CB-CG 4.02Å; L306-L310 WeakPolarHBondContact O-CB 3.32Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.34Å; A307-L310 CarbonylContact O-C 3.44Å; A307-L310 PolarHBondContact O-N 3.19Å; Q308-L310 VanDerWaalsContact C-N 3.25Å; Q308-L310 PolarHBondContact O-N 3.15Å; L310-I312 VanDerWaalsContact C-N 3.27Å; L310-I312 HydrophobicContact CB-CD1 3.73Å; L310-I312 HydrophobicContact CB-CG1 3.79Å; L310-I312 HydrophobicContact CD1-CD1 3.79Å; L310-I312 HydrophobicContact CG-CD1 4.44Å; L310-I312 PolarHBondContact O-N 3.26Å |
| 311 | G | 96.4 | Very high | 93 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 28.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A307 Q308 N309 P313 | A307-G311 PolarHBondContact O-N 2.89Å; Q308-G311 PolarHBondContact O-N 2.89Å; Q308-G311 VanDerWaalsContact O-N 3.08Å; N309-G311 VanDerWaalsContact C-N 3.31Å; G311-P313 WeakPolarHBondContact O-CD 3.49Å |
| 312 | I | 97.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | trans | -80.1 | 123.5 | 179.9 | -61.5 | 168.8 | 0 | 0 | 0 | 109.2 | L29 F233 L281 L285 A307 L310 R314 | L29-I312 HydrophobicContact CD2-CD1 4.36Å; L29-I312 HydrophobicContact CD2-CG1 4.05Å; F233-I312 HydrophobicContact CD2-CG2 3.59Å; F233-I312 HydrophobicContact CE2-CB 4.45Å; F233-I312 HydrophobicContact CE2-CG2 3.72Å; L281-I312 HydrophobicContact CB-CD1 4.44Å; L281-I312 HydrophobicContact CD1-CD1 4.44Å; L281-I312 HydrophobicContact CD1-CG2 3.63Å; L281-I312 HydrophobicContact CD2-CD1 3.88Å; L281-I312 HydrophobicContact CD2-CG1 4.09Å; L281-I312 HydrophobicContact CD2-CG2 4.34Å; L281-I312 HydrophobicContact CG-CD1 4.48Å; L285-I312 HydrophobicContact CD2-CD1 4.05Å; L285-I312 HydrophobicContact CG-CD1 4.28Å; A307-I312 HydrophobicContact CB-CB 4.18Å; A307-I312 PolarHBondContact O-N 3.24Å; L310-I312 VanDerWaalsContact C-N 3.27Å; L310-I312 HydrophobicContact CB-CD1 3.73Å; L310-I312 HydrophobicContact CB-CG1 3.79Å; L310-I312 HydrophobicContact CD1-CD1 3.79Å; L310-I312 HydrophobicContact CG-CD1 4.44Å; L310-I312 PolarHBondContact O-N 3.26Å; I312-R314 PolarHBondContact O-NH1 2.97Å | ||
| 313 | P | 97 | Very high | 90.1 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 44% | 0.442 | 23% | 0.232 | S | C | . | . | trans | -67.5 | 149.1 | 177.9 | -19.7 | 33.2 | 0 | 0 | 0 | 113 | L232 F233 G311 | L232-P313 HydrophobicContact CB-CB 4.01Å; L232-P313 HydrophobicContact CB-CG 4.35Å; F233-P313 PolarHBondContact N-O 2.85Å; G311-P313 WeakPolarHBondContact O-CD 3.49Å | ||
| 314 | R | 96.7 | Very high | 88.2 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 98.3 | 168.1 | -74.2 | 75.9 | 72.8 | -131.3 | 3.4 | 107.4 | F233 A237 T268 T303 I312 | F233-R314 HydrophobicContact CB-CG 4.19Å; F233-R314 HydrophobicContact CD2-CG 4.45Å; F233-R314 CarbonylContact O-C 3.46Å; A237-R314 HydrophobicContact CB-CB 4.03Å; T268-R314 VanDerWaalsContact CB-NH2 3.34Å; T268-R314 HydrophobicContact CG2-CB 4.41Å; T268-R314 PolarHBondContact O-NE 3.28Å; T268-R314 PolarHBondContact O-NH2 3.4Å; T303-R314 WeakPolarHBondContact O-CD 3.07Å; I312-R314 PolarHBondContact O-NH1 2.97Å |
| 315 | L | 95.5 | Very high | 86.1 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123.8 | 173.6 | -178.3 | 63.9 | 0 | 0 | 0 | 108.5 | L229 L232 F233 Y234 C235 | L229-L315 HydrophobicContact CD2-CD2 4.06Å; L232-L315 HydrophobicContact CD1-CB 3.92Å; L232-L315 HydrophobicContact CD1-CD2 4.38Å; L232-L315 HydrophobicContact CD2-CB 4.29Å; F233-L315 WeakPolarHBondContact O-CB 3.33Å; F233-L315 PolarHBondContact O-N 3.25Å; Y234-L315 WeakPolarHBondContact CA-O 3.46Å; Y234-L315 HydrophobicContact CD2-CB 4.07Å; Y234-L315 HydrophobicContact CD2-CD2 3.75Å; Y234-L315 HydrophobicContact CD2-CG 3.77Å; Y234-L315 HydrophobicContact CE2-CD2 4.17Å; Y234-L315 HydrophobicContact CE2-CG 4.19Å; C235-L315 PolarHBondContact N-O 3.49Å |
| 316 | R | 93.4 | Very high | 83.9 | Confident | 177 Ų | 177 | 53.3 Ų | 53.3 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.7 | 178.8 | -168.9 | 178 | 177.1 | 131.6 | -2.1 | 110.2 | Y234 C235 A237 Q318 | Y234-R316 WeakPolarHBondContact CE2-O 3.46Å; C235-R316 CarbonylContact O-C 3.6Å; C235-R316 VanDerWaalsContact O-CA 3.31Å; C235-R316 WeakPolarHBondContact O-CA 2.94Å; A237-R316 HydrophobicContact CB-CB 4.18Å; A237-R316 HydrophobicContact CB-CG 4.46Å; R316-Q318 PolarHBondContact O-N 3.44Å |
| 317 | F | 90.5 | Very high | 81.4 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -48.7 | 132.7 | 166.9 | -75.6 | -19.5 | 0 | 0 | 0 | 111.3 | Y234 C235 T236 H321 F340 | Y234-F317 AromaticContact CD1-CD1 3.51Å; Y234-F317 HydrophobicContact CD1-CD1 3.51Å; Y234-F317 AromaticContact CD1-CE1 3.44Å; Y234-F317 HydrophobicContact CD1-CE1 3.44Å; Y234-F317 VanDerWaalsContact CD1-CE1 3.44Å; Y234-F317 AromaticContact CD2-CD1 3.98Å; Y234-F317 HydrophobicContact CD2-CD1 3.98Å; Y234-F317 AromaticContact CE1-CD1 3.34Å; Y234-F317 HydrophobicContact CE1-CD1 3.34Å; Y234-F317 AromaticContact CE1-CE1 3.64Å; Y234-F317 HydrophobicContact CE1-CE1 3.64Å; Y234-F317 HydrophobicContact CE1-CG 4.47Å; Y234-F317 AromaticContact CE2-CD1 3.85Å; Y234-F317 HydrophobicContact CE2-CD1 3.85Å; Y234-F317 AromaticContact CG-CD1 3.84Å; Y234-F317 HydrophobicContact CG-CD1 3.84Å; Y234-F317 AromaticContact CG-CE1 3.95Å; Y234-F317 HydrophobicContact CG-CE1 3.95Å; Y234-F317 AromaticContact CZ-CD1 3.53Å; Y234-F317 WeakPolarHBondContact O-CE1 3.4Å; C235-F317 VanDerWaalsContact C-CD2 3.47Å; C235-F317 VanDerWaalsContact CA-CD1 3.42Å; C235-F317 HydrophobicContact CB-CE1 4.49Å; C235-F317 HydrophobicContact CB-CZ 4.41Å; C235-F317 VanDerWaalsContact N-CE1 3.31Å; C235-F317 PolarHBondContact O-N 2.83Å; T236-F317 VanDerWaalsContact OG1-CD2 3.28Å; T236-F317 WeakPolarHBondContact OG1-CD2 2.99Å; F317-H321 HydrophobicContact CB-CB 4.03Å; F317-H321 HydrophobicContact CD1-CB 4.18Å; F317-H321 HydrophobicContact CD2-CB 4.48Å; F317-H321 WeakPolarHBondContact CD2-O 3.28Å; F317-H321 WeakPolarHBondContact CE2-O 3.29Å; F317-H321 HydrophobicContact CG-CB 4Å; F317-F340 HydrophobicContact CE1-CD2 4.34Å; F317-F340 AromaticContact CE1-CE2 3.92Å; F317-F340 HydrophobicContact CE1-CE2 3.92Å; F317-F340 AromaticContact CE2-CD2 3.74Å; F317-F340 HydrophobicContact CE2-CD2 3.74Å; F317-F340 HydrophobicContact CE2-CE2 4.08Å; F317-F340 AromaticContact CZ-CD2 3.44Å; F317-F340 HydrophobicContact CZ-CD2 3.44Å; F317-F340 VanDerWaalsContact CZ-CD2 3.44Å; F317-F340 AromaticContact CZ-CE2 3.28Å; F317-F340 HydrophobicContact CZ-CE2 3.28Å; F317-F340 HydrophobicContact CZ-CZ 4.41Å |
| 318 | Q | 84.8 | Confident | 78.9 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 159.8 | 164.4 | -55 | 173.2 | -11 | 0 | 0 | 109 | Y234 R316 H321 | Y234-Q318 PolarHBondContact OH-N 3.45Å; R316-Q318 PolarHBondContact O-N 3.44Å; Q318-H321 PolarHBondContact O-N 2.97Å; Q318-H321 PolarHBondContact O-ND1 3.35Å |
| 319 | D | 75.8 | Confident | 76.5 | Confident | 162 Ų | 162 | 63.3 Ų | 63.3 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 143.9 | 174.3 | -60.4 | -25 | 0 | 0 | 0 | 110.7 | H321 | D319-H321 VanDerWaalsContact C-N 3.3Å; D319-H321 PolarHBondContact O-N 3.36Å |
| 320 | G | 68.3 | Low | 74.3 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -46.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S322 D337 C338 | G320-S322 VanDerWaalsContact C-N 3.25Å; G320-S322 PolarHBondContact O-N 2.85Å; G320-D337 CarbonylContact C-O 3.5Å; G320-D337 WeakPolarHBondContact CA-O 3.45Å; G320-C338 WeakPolarHBondContact O-CA 3.35Å; G320-C338 WeakPolarHBondContact O-CB 2.87Å; G320-C338 PolarHBondContact O-SG 3.08Å |
| 321 | H | 78.3 | Confident | 71.9 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 4% | 0.037 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -74.5 | -7.8 | -170.3 | -52.3 | 126.8 | 0 | 0 | 0 | 116.4 | H217 Y221 Y234 F317 Q318 D319 I339 | H217-H321 AromaticContact CD2-NE2 3.96Å; H217-H321 AromaticContact CE1-CD2 3.96Å; H217-H321 AromaticContact CE1-NE2 3.96Å; H217-H321 AromaticContact NE2-CD2 3.58Å; H217-H321 AromaticContact NE2-NE2 3.23Å; H217-H321 PolarHBondContact NE2-NE2 2.83Å; Y221-H321 AromaticContact CD2-CE1 3.41Å; Y221-H321 VanDerWaalsContact CD2-CE1 3.41Å; Y221-H321 WeakPolarHBondContact CD2-CE1 3.45Å; Y221-H321 AromaticContact CD2-NE2 3.48Å; Y221-H321 WeakPolarHBondContact CD2-NE2 3.48Å; Y221-H321 AromaticContact CE2-CE1 3.32Å; Y221-H321 WeakPolarHBondContact CE2-CE1 3.31Å; Y221-H321 AromaticContact CE2-NE2 3.89Å; Y234-H321 HydrophobicContact CE1-CB 4.38Å; Y234-H321 AromaticContact CZ-ND1 3.79Å; Y234-H321 PolarHBondContact OH-CE1 2.91Å; Y234-H321 PolarHBondContact OH-ND1 3.37Å; F317-H321 HydrophobicContact CB-CB 4.03Å; F317-H321 HydrophobicContact CD1-CB 4.18Å; F317-H321 HydrophobicContact CD2-CB 4.48Å; F317-H321 WeakPolarHBondContact CD2-O 3.28Å; F317-H321 WeakPolarHBondContact CE2-O 3.29Å; F317-H321 HydrophobicContact CG-CB 4Å; Q318-H321 PolarHBondContact O-N 2.97Å; Q318-H321 PolarHBondContact O-ND1 3.35Å; D319-H321 VanDerWaalsContact C-N 3.3Å; D319-H321 PolarHBondContact O-N 3.36Å; H321-I339 HydrophobicContact CB-CD1 4.28Å; H321-I339 WeakPolarHBondContact CD2-CD1 3.17Å |
| 322 | S | 71.3 | Confident | 69.9 | Low | 44 Ų | 44 | 82 Ų | 82 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -82.2 | 170.3 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | G320 L324 | G320-S322 VanDerWaalsContact C-N 3.25Å; G320-S322 PolarHBondContact O-N 2.85Å; S322-L324 PolarHBondContact O-N 3.41Å |
| 323 | Y | 65.3 | Low | 67.8 | Low | 28 Ų | 28 | 84 Ų | 84 | 11% | 0.11 | 44% | 0.437 | C | S | . | . | trans | -69.6 | 111.8 | 176.3 | -37 | -63 | 0 | 0 | 0 | 110.8 | T236 E271 F273 G274 F340 V342 | T236-Y323 HydrophobicContact CG2-CE2 4.47Å; T236-Y323 WeakPolarHBondContact OG1-CE2 3.22Å; E271-Y323 HydrophobicContact CB-CE2 3.94Å; E271-Y323 PolarHBondContact O-OH 3.29Å; F273-Y323 HydrophobicContact CB-CD1 3.82Å; F273-Y323 HydrophobicContact CB-CE1 3.41Å; F273-Y323 VanDerWaalsContact CB-CE1 3.41Å; F273-Y323 HydrophobicContact CB-CE2 4.24Å; F273-Y323 HydrophobicContact CB-CG 4.38Å; F273-Y323 HydrophobicContact CD2-CD1 4.18Å; F273-Y323 AromaticContact CD2-CD2 3.58Å; F273-Y323 HydrophobicContact CD2-CD2 3.58Å; F273-Y323 HydrophobicContact CD2-CE1 4.19Å; F273-Y323 AromaticContact CD2-CE2 3.55Å; F273-Y323 HydrophobicContact CD2-CE2 3.55Å; F273-Y323 AromaticContact CD2-CG 3.87Å; F273-Y323 HydrophobicContact CD2-CG 3.87Å; F273-Y323 AromaticContact CD2-CZ 3.82Å; F273-Y323 HydrophobicContact CE2-CD2 4.2Å; F273-Y323 HydrophobicContact CE2-CE2 4.43Å; F273-Y323 HydrophobicContact CG-CD1 4.29Å; F273-Y323 HydrophobicContact CG-CD2 4.46Å; F273-Y323 HydrophobicContact CG-CE1 4.22Å; F273-Y323 HydrophobicContact CG-CE2 4.36Å; F273-Y323 HydrophobicContact CG-CG 4.39Å; G274-Y323 PolarHBondContact N-OH 2.62Å; G274-Y323 PolarHBondContact O-OH 2.85Å; Y323-F340 HydrophobicContact CD1-CB 3.79Å; Y323-F340 HydrophobicContact CE1-CB 3.72Å; Y323-F340 HydrophobicContact CE1-CG 4.29Å; Y323-V342 HydrophobicContact CD1-CG2 3.91Å; Y323-V342 HydrophobicContact CG-CG2 4.34Å | ||
| 324 | L | 58.4 | Low | 65.8 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.7 | 164.8 | -72.1 | -178.9 | 0 | 0 | 0 | 109.8 | S322 L326 L334 C338 | S322-L324 PolarHBondContact O-N 3.41Å; L324-L326 HydrophobicContact CB-CD2 3.99Å; L324-L326 PolarHBondContact O-N 2.9Å; L324-L326 VanDerWaalsContact O-N 3.13Å; L324-L334 HydrophobicContact CD1-CB 4.18Å; L324-C338 WeakPolarHBondContact CD1-SG 3.42Å; L324-C338 VanDerWaalsContact CG-SG 3.53Å |
| 325 | N | 53.4 | Low | 64 | Low | 117 Ų | 117 | 84.8 Ų | 84.8 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 102.2 | 167.6 | -73.5 | -12.2 | 0 | 0 | 0 | 108.3 | K327 F344 | N325-K327 PolarHBondContact O-N 2.81Å; N325-F344 WeakPolarHBondContact OD1-CD2 3.02Å; N325-F344 WeakPolarHBondContact OD1-CE2 3.32Å |
| 326 | L | 51.8 | Low | 62.1 | Low | 17 Ų | 17 | 81.8 Ų | 81.8 | 9% | 0.089 | 43% | 0.427 | C | S | . | . | trans | -80.7 | 117.2 | 179.4 | -56.8 | 175.9 | 0 | 0 | 0 | 109.7 | L324 L335 L341 M356 | L324-L326 HydrophobicContact CB-CD2 3.99Å; L324-L326 PolarHBondContact O-N 2.9Å; L324-L326 VanDerWaalsContact O-N 3.13Å; L326-L335 HydrophobicContact CD1-CD2 3.28Å; L326-L335 HydrophobicContact CD2-CD2 3.16Å; L326-L335 HydrophobicContact CD2-CG 3.71Å; L326-L335 HydrophobicContact CG-CD2 3.75Å; L326-L341 HydrophobicContact CD1-CB 4.13Å; L326-L341 HydrophobicContact CD1-CD2 3.73Å; L326-L341 HydrophobicContact CD2-CD2 4.3Å; L326-L341 HydrophobicContact CG-CD2 4.39Å; L326-M356 HydrophobicContact CD1-CE 3.43Å; L326-M356 VanDerWaalsContact CD1-CE 3.43Å; L326-M356 HydrophobicContact CD1-CG 4.01Å; L326-M356 HydrophobicContact CD1-SD 3.49Å; L326-M356 WeakPolarHBondContact CD1-SD 3.37Å | ||
| 327 | K | 47.1 | Very low | 60.7 | Low | 153 Ų | 153 | 77.3 Ų | 77.3 | 67% | 0.665 | 42% | 0.416 | S | S | * | . | trans | -77.3 | 143.2 | 142.1 | -71 | -176.5 | 178.3 | 179.2 | 0 | 106.4 | N325 A329 | N325-K327 PolarHBondContact O-N 2.81Å; K327-A329 PolarHBondContact O-N 3.42Å | ||
| 328 | P | 44.7 | Very low | 60.1 | Low | 102 Ų | 102 | 76.6 Ų | 76.6 | 66% | 0.662 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -71.2 | 57.3 | 178.8 | 29.8 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 329 | A | 47.2 | Very low | 60.2 | Low | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -136.2 | 121.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | K327 E331 | K327-A329 PolarHBondContact O-N 3.42Å; A329-E331 PolarHBondContact O-N 3.2Å |
| 330 | K | 50.2 | Low | 60.7 | Low | 133 Ų | 133 | 64.3 Ų | 64.3 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | trans | -69 | 70.5 | 177.7 | -160.8 | 176.1 | 175.9 | 172.4 | 0 | 108.9 | E332 E359 | K330-E332 PolarHBondContact O-N 2.93Å; K330-E359 WeakPolarHBondContact CD-OE2 3.13Å; K330-E359 WeakPolarHBondContact CE-OE2 3.38Å; K330-E359 IonicContact NZ-OE1 3.7Å; K330-E359 IonicContact NZ-OE2 2.68Å; K330-E359 PolarHBondContact NZ-OE2 3.04Å | ||
| 331 | E | 47.4 | Very low | 61.4 | Low | 152 Ų | 152 | 63.4 Ų | 63.4 | 71% | 0.71 | 34% | 0.34 | S | S | * | . | trans | -80.6 | 99.6 | 170.8 | -77.6 | -178.6 | 175.7 | 0 | 0 | 108.4 | A329 G333 | A329-E331 PolarHBondContact O-N 3.2Å; E331-G333 PolarHBondContact O-N 3.01Å | ||
| 332 | E | 52.8 | Low | 61.2 | Low | 181 Ų | 181 | 63.1 Ų | 63.1 | 85% | 0.846 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 47 | 158.3 | -57.6 | -175.1 | 166.5 | 0 | 0 | 118.1 | K330 L334 | K330-E332 PolarHBondContact O-N 2.93Å; E332-L334 PolarHBondContact O-N 3.5Å |
| 333 | G | 54.1 | Low | 60.9 | Low | 44 Ų | 44 | 61.4 Ų | 61.4 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -9.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116 | E331 L335 A336 | E331-G333 PolarHBondContact O-N 3.01Å; G333-L335 PolarHBondContact O-N 2.87Å; G333-L335 VanDerWaalsContact O-N 3.15Å; G333-A336 WeakPolarHBondContact O-CB 3.49Å; G333-A336 PolarHBondContact O-N 3.16Å |
| 334 | L | 54.1 | Low | 60.7 | Low | 104 Ų | 104 | 65.7 Ų | 65.7 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -34.5 | 179.7 | -75.2 | 160.4 | 0 | 0 | 0 | 113.3 | L324 E332 A336 D337 | L324-L334 HydrophobicContact CD1-CB 4.18Å; E332-L334 PolarHBondContact O-N 3.5Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.88Å; L334-D337 PolarHBondContact O-N 3.24Å |
| 335 | L | 59 | Low | 60.6 | Low | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.6 | 174.2 | -93.9 | 161.1 | 0 | 0 | 0 | 113.3 | L326 G333 D337 L341 | L326-L335 HydrophobicContact CD1-CD2 3.28Å; L326-L335 HydrophobicContact CD2-CD2 3.16Å; L326-L335 HydrophobicContact CD2-CG 3.71Å; L326-L335 HydrophobicContact CG-CD2 3.75Å; G333-L335 PolarHBondContact O-N 2.87Å; G333-L335 VanDerWaalsContact O-N 3.15Å; L335-D337 VanDerWaalsContact C-N 3.31Å; L335-D337 PolarHBondContact O-N 2.83Å; L335-L341 HydrophobicContact CD2-CD2 3.63Å |
| 336 | A | 55.6 | Low | 60.7 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -20 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H217 G333 L334 C338 H363 | H217-A336 PolarHBondContact ND1-O 3.21Å; G333-A336 WeakPolarHBondContact O-CB 3.49Å; G333-A336 PolarHBondContact O-N 3.16Å; L334-A336 VanDerWaalsContact C-N 3.3Å; L334-A336 PolarHBondContact O-N 2.88Å; A336-C338 VanDerWaalsContact C-N 3.29Å; A336-C338 PolarHBondContact O-N 3.06Å; A336-H363 HydrophobicContact CB-CB 4.25Å |
| 337 | D | 64.6 | Low | 60.6 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 4.9 | 179 | -76.8 | -32.8 | 0 | 0 | 0 | 113.3 | H217 G320 L334 L335 | H217-D337 PolarHBondContact CE1-O 3.01Å; H217-D337 PolarHBondContact ND1-O 3.21Å; G320-D337 CarbonylContact C-O 3.5Å; G320-D337 WeakPolarHBondContact CA-O 3.45Å; L334-D337 PolarHBondContact O-N 3.24Å; L335-D337 VanDerWaalsContact C-N 3.31Å; L335-D337 PolarHBondContact O-N 2.83Å |
| 338 | C | 76.8 | Confident | 61 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -97.9 | 132.2 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | D214 G320 L324 A336 L341 | D214-C338 VanDerWaalsContact CB-O 3.23Å; D214-C338 WeakPolarHBondContact CB-O 2.86Å; G320-C338 WeakPolarHBondContact O-CA 3.35Å; G320-C338 WeakPolarHBondContact O-CB 2.87Å; G320-C338 PolarHBondContact O-SG 3.08Å; L324-C338 WeakPolarHBondContact CD1-SG 3.42Å; L324-C338 VanDerWaalsContact CG-SG 3.53Å; A336-C338 VanDerWaalsContact C-N 3.29Å; A336-C338 PolarHBondContact O-N 3.06Å; C338-L341 HydrophobicContact CB-CD1 4.02Å; C338-L341 HydrophobicContact CB-CD2 3.75Å; C338-L341 HydrophobicContact CB-CG 3.62Å; C338-L341 WeakPolarHBondContact O-CD1 2.83Å | ||
| 339 | I | 87.3 | Confident | 62.3 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.8 | -46.5 | 168.7 | -70.7 | 169.6 | 0 | 0 | 0 | 110.5 | V213 D214 H217 L218 Y221 H321 | V213-I339 WeakPolarHBondContact CA-O 3.24Å; V213-I339 HydrophobicContact CG1-CG2 4.49Å; D214-I339 PolarHBondContact N-O 3.23Å; H217-I339 HydrophobicContact CB-CG1 4.09Å; L218-I339 HydrophobicContact CB-CG2 4.08Å; L218-I339 HydrophobicContact CD1-CG2 4Å; Y221-I339 HydrophobicContact CD1-CD1 4.17Å; Y221-I339 HydrophobicContact CG-CD1 4.05Å; H321-I339 HydrophobicContact CB-CD1 4.28Å; H321-I339 WeakPolarHBondContact CD2-CD1 3.17Å |
| 340 | F | 87.6 | Confident | 63.7 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.9 | -177 | -57.1 | -75.3 | 0 | 0 | 0 | 110 | V205 V207 T211 V213 I276 F317 Y323 | V205-F340 HydrophobicContact CG1-CE1 3.74Å; V205-F340 HydrophobicContact CG1-CZ 3.9Å; V207-F340 HydrophobicContact CG1-CD1 3.8Å; V207-F340 HydrophobicContact CG1-CE1 3.56Å; T211-F340 HydrophobicContact CG2-CB 4.28Å; T211-F340 HydrophobicContact CG2-CD1 4.17Å; V213-F340 HydrophobicContact CG2-CD1 4.3Å; V213-F340 HydrophobicContact CG2-CE1 4.44Å; I276-F340 HydrophobicContact CD1-CE2 4.48Å; I276-F340 HydrophobicContact CD1-CZ 4.39Å; I276-F340 HydrophobicContact CG1-CE2 4.16Å; I276-F340 HydrophobicContact CG1-CZ 3.86Å; F317-F340 HydrophobicContact CE1-CD2 4.34Å; F317-F340 AromaticContact CE1-CE2 3.92Å; F317-F340 HydrophobicContact CE1-CE2 3.92Å; F317-F340 AromaticContact CE2-CD2 3.74Å; F317-F340 HydrophobicContact CE2-CD2 3.74Å; F317-F340 HydrophobicContact CE2-CE2 4.08Å; F317-F340 AromaticContact CZ-CD2 3.44Å; F317-F340 HydrophobicContact CZ-CD2 3.44Å; F317-F340 VanDerWaalsContact CZ-CD2 3.44Å; F317-F340 AromaticContact CZ-CE2 3.28Å; F317-F340 HydrophobicContact CZ-CE2 3.28Å; F317-F340 HydrophobicContact CZ-CZ 4.41Å; Y323-F340 HydrophobicContact CD1-CB 3.79Å; Y323-F340 HydrophobicContact CE1-CB 3.72Å; Y323-F340 HydrophobicContact CE1-CG 4.29Å |
| 341 | L | 81.4 | Confident | 65.1 | Low | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135 | -179.3 | -59.5 | 112.2 | 0 | 0 | 0 | 109.5 | F212 L326 L335 C338 M356 | F212-L341 HydrophobicContact CB-CB 4.25Å; F212-L341 HydrophobicContact CD1-CB 4.5Å; F212-L341 HydrophobicContact CD1-CD1 3.59Å; F212-L341 HydrophobicContact CE1-CD1 4.15Å; F212-L341 PolarHBondContact N-O 2.7Å; F212-L341 PolarHBondContact O-N 3.37Å; L326-L341 HydrophobicContact CD1-CB 4.13Å; L326-L341 HydrophobicContact CD1-CD2 3.73Å; L326-L341 HydrophobicContact CD2-CD2 4.3Å; L326-L341 HydrophobicContact CG-CD2 4.39Å; L335-L341 HydrophobicContact CD2-CD2 3.63Å; C338-L341 HydrophobicContact CB-CD1 4.02Å; C338-L341 HydrophobicContact CB-CD2 3.75Å; C338-L341 HydrophobicContact CB-CG 3.62Å; C338-L341 WeakPolarHBondContact O-CD1 2.83Å; L341-M356 HydrophobicContact CB-CE 3.15Å; L341-M356 HydrophobicContact CD1-CE 4.06Å; L341-M356 HydrophobicContact CD2-CE 3.91Å; L341-M356 HydrophobicContact CG-CE 3.89Å |
| 342 | V | 76 | Confident | 66.5 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.7 | -175.1 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | T211 F273 Y323 F344 | T211-V342 HydrophobicContact CG2-CG2 4.29Å; F273-V342 HydrophobicContact CB-CG2 3.8Å; F273-V342 HydrophobicContact CD1-CB 4.38Å; F273-V342 HydrophobicContact CD1-CG1 3.8Å; F273-V342 HydrophobicContact CD1-CG2 3.78Å; F273-V342 HydrophobicContact CE1-CG1 3.84Å; F273-V342 HydrophobicContact CG-CG2 3.82Å; Y323-V342 HydrophobicContact CD1-CG2 3.91Å; Y323-V342 HydrophobicContact CG-CG2 4.34Å; V342-F344 HydrophobicContact CG1-CE2 4.39Å |
| 343 | S | 64.8 | Low | 67.8 | Low | 8 Ų | 8 | 53.8 Ų | 53.8 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | trans | -104.9 | 118.7 | 168 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | Y345 | S343-Y345 PolarHBondContact O-N 3.1Å; S343-Y345 PolarHBondContact OG-N 2.7Å; S343-Y345 PolarHBondContact OG-O 3.36Å | ||
| 344 | F | 60.6 | Low | 69.1 | Low | 118 Ų | 118 | 56 Ų | 56 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -72.9 | -7.5 | 171.9 | -75.1 | -90.2 | 0 | 0 | 0 | 112.6 | F273 N325 V342 N346 | F273-F344 HydrophobicContact CE1-CE1 4.31Å; F273-F344 HydrophobicContact CE1-CZ 4.11Å; F273-F344 HydrophobicContact CE2-CZ 4.19Å; F273-F344 AromaticContact CZ-CE1 3.85Å; F273-F344 HydrophobicContact CZ-CE1 3.85Å; F273-F344 HydrophobicContact CZ-CE2 4.4Å; F273-F344 AromaticContact CZ-CZ 3.46Å; F273-F344 HydrophobicContact CZ-CZ 3.46Å; F273-F344 VanDerWaalsContact CZ-CZ 3.46Å; N325-F344 WeakPolarHBondContact OD1-CD2 3.02Å; N325-F344 WeakPolarHBondContact OD1-CE2 3.32Å; V342-F344 HydrophobicContact CG1-CE2 4.39Å; F344-N346 PolarHBondContact O-N 3.04Å |
| 345 | Y | 55.5 | Low | 70.3 | Confident | 139 Ų | 139 | 55 Ų | 55 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | trans | -98.8 | 88.7 | 180 | -56.2 | -79.1 | 0 | 0 | 0 | 109.7 | S343 E347 F348 | S343-Y345 PolarHBondContact O-N 3.1Å; S343-Y345 PolarHBondContact OG-N 2.7Å; S343-Y345 PolarHBondContact OG-O 3.36Å; Y345-E347 PolarHBondContact O-N 3.17Å; Y345-E347 VanDerWaalsContact O-N 3.15Å; Y345-F348 PolarHBondContact O-N 3.07Å | ||
| 346 | N | 56.6 | Low | 71.3 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -55 | -30.6 | 178.4 | -83.1 | -25.4 | 0 | 0 | 0 | 113.3 | F344 F348 Y349 | F344-N346 PolarHBondContact O-N 3.04Å; N346-F348 PolarHBondContact O-N 3.4Å; N346-Y349 WeakPolarHBondContact O-CB 3.1Å; N346-Y349 PolarHBondContact O-N 2.84Å |
| 347 | E | 50.2 | Low | 72.5 | Confident | 174 Ų | 174 | 55.5 Ų | 55.5 | 81% | 0.813 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.3 | -176 | -67.2 | -176 | 175.4 | 0 | 0 | 113.5 | Y345 | Y345-E347 PolarHBondContact O-N 3.17Å; Y345-E347 VanDerWaalsContact O-N 3.15Å |
| 348 | F | 55.3 | Low | 73.4 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -109.1 | 4.2 | -179.4 | -62 | -76.4 | 0 | 0 | 0 | 113.3 | Y345 N346 P350 L351 T352 | Y345-F348 PolarHBondContact O-N 3.07Å; N346-F348 PolarHBondContact O-N 3.4Å; F348-P350 VanDerWaalsContact O-N 3.13Å; F348-L351 PolarHBondContact O-N 2.7Å; F348-T352 WeakPolarHBondContact CB-OG1 3.48Å; F348-T352 WeakPolarHBondContact O-CB 3.32Å; F348-T352 PolarHBondContact O-N 2.85Å; F348-T352 PolarHBondContact O-OG1 3.43Å |
| 349 | Y | 71 | Confident | 73.6 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -49.9 | -46.2 | -168.8 | -172.7 | -102.5 | 0 | 0 | 0 | 114.2 | K123 L126 D209 D210 N346 V353 | K123-Y349 HydrophobicContact CG-CD1 4.3Å; K123-Y349 HydrophobicContact CG-CE1 4.16Å; L126-Y349 HydrophobicContact CD2-CD1 3.87Å; L126-Y349 HydrophobicContact CD2-CE1 3.72Å; D209-Y349 PolarHBondContact O-OH 2.85Å; D209-Y349 VanDerWaalsContact O-OH 3.12Å; D210-Y349 VanDerWaalsContact CA-CZ 3.41Å; D210-Y349 VanDerWaalsContact CA-OH 3.24Å; D210-Y349 WeakPolarHBondContact CA-OH 3.49Å; D210-Y349 HydrophobicContact CB-CE2 4.06Å; D210-Y349 WeakPolarHBondContact O-CE2 3.43Å; D210-Y349 PolarHBondContact O-OH 2.85Å; N346-Y349 WeakPolarHBondContact O-CB 3.1Å; N346-Y349 PolarHBondContact O-N 2.84Å; Y349-V353 HydrophobicContact CD1-CG2 4.31Å; Y349-V353 HydrophobicContact CD2-CG2 4.11Å; Y349-V353 HydrophobicContact CE1-CG2 3.87Å; Y349-V353 HydrophobicContact CE2-CG2 3.6Å; Y349-V353 HydrophobicContact CG-CG2 4.41Å; Y349-V353 VanDerWaalsContact CZ-CG2 3.45Å; Y349-V353 WeakPolarHBondContact O-CB 3.11Å; Y349-V353 VanDerWaalsContact O-CG2 3.25Å; Y349-V353 WeakPolarHBondContact O-CG2 3.38Å; Y349-V353 PolarHBondContact O-N 2.67Å |
| 350 | P | 77.6 | Confident | 73.2 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 178.8 | -21.4 | 34.5 | 0 | 0 | 0 | 114.1 | L126 F348 Q354 | L126-P350 HydrophobicContact CD2-CB 4.27Å; F348-P350 VanDerWaalsContact O-N 3.13Å; P350-Q354 VanDerWaalsContact O-CG 3.29Å; P350-Q354 WeakPolarHBondContact O-CG 3.19Å; P350-Q354 PolarHBondContact O-N 3.23Å; P350-Q354 VanDerWaalsContact O-N 3.08Å |
| 351 | L | 78.1 | Confident | 72.9 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 179.8 | -70.7 | 172.1 | 0 | 0 | 0 | 110.6 | F348 V353 Q354 E355 | F348-L351 PolarHBondContact O-N 2.7Å; L351-V353 PolarHBondContact O-N 3Å; L351-Q354 PolarHBondContact O-N 3.02Å; L351-E355 WeakPolarHBondContact O-CB 3.39Å; L351-E355 WeakPolarHBondContact O-CG 3.36Å; L351-E355 PolarHBondContact O-N 3.04Å |
| 352 | T | 78.2 | Confident | 72.9 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | F348 Q354 E355 M356 | F348-T352 WeakPolarHBondContact CB-OG1 3.48Å; F348-T352 WeakPolarHBondContact O-CB 3.32Å; F348-T352 PolarHBondContact O-N 2.85Å; F348-T352 PolarHBondContact O-OG1 3.43Å; T352-Q354 PolarHBondContact O-N 3.16Å; T352-E355 PolarHBondContact O-N 2.7Å; T352-M356 HydrophobicContact CG2-CG 4.37Å; T352-M356 HydrophobicContact CG2-SD 3.64Å; T352-M356 WeakPolarHBondContact O-CB 3.4Å; T352-M356 WeakPolarHBondContact O-CG 3.14Å; T352-M356 PolarHBondContact O-N 3.25Å |
| 353 | V | 78.4 | Confident | 73 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.3 | 165 | 0 | 0 | 0 | 0 | 112.2 | L126 T130 F212 Y349 L351 W357 | L126-V353 HydrophobicContact CD1-CB 4.36Å; L126-V353 HydrophobicContact CD1-CG1 3.91Å; L126-V353 HydrophobicContact CD2-CB 3.83Å; L126-V353 HydrophobicContact CD2-CG1 3.84Å; L126-V353 HydrophobicContact CD2-CG2 4.08Å; L126-V353 HydrophobicContact CG-CB 4.2Å; L126-V353 HydrophobicContact CG-CG1 3.68Å; T130-V353 HydrophobicContact CG2-CG1 4.11Å; F212-V353 HydrophobicContact CD2-CG1 4.07Å; Y349-V353 HydrophobicContact CD1-CG2 4.31Å; Y349-V353 HydrophobicContact CD2-CG2 4.11Å; Y349-V353 HydrophobicContact CE1-CG2 3.87Å; Y349-V353 HydrophobicContact CE2-CG2 3.6Å; Y349-V353 HydrophobicContact CG-CG2 4.41Å; Y349-V353 VanDerWaalsContact CZ-CG2 3.45Å; Y349-V353 WeakPolarHBondContact O-CB 3.11Å; Y349-V353 VanDerWaalsContact O-CG2 3.25Å; Y349-V353 WeakPolarHBondContact O-CG2 3.38Å; Y349-V353 PolarHBondContact O-N 2.67Å; L351-V353 PolarHBondContact O-N 3Å; V353-W357 WeakPolarHBondContact O-CB 3.13Å; V353-W357 PolarHBondContact O-N 2.91Å |
| 354 | Q | 82.1 | Confident | 73.6 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 176.8 | -74.1 | 175.6 | -12.2 | 0 | 0 | 112.9 | L126 T130 P350 L351 T352 R358 | L126-Q354 HydrophobicContact CD1-CG 4Å; T130-Q354 HydrophobicContact CG2-CG 4.35Å; P350-Q354 VanDerWaalsContact O-CG 3.29Å; P350-Q354 WeakPolarHBondContact O-CG 3.19Å; P350-Q354 PolarHBondContact O-N 3.23Å; P350-Q354 VanDerWaalsContact O-N 3.08Å; L351-Q354 PolarHBondContact O-N 3.02Å; T352-Q354 PolarHBondContact O-N 3.16Å; Q354-R358 WeakPolarHBondContact O-CG 3.47Å; Q354-R358 PolarHBondContact O-N 3.01Å; Q354-R358 VanDerWaalsContact O-N 3.08Å; Q354-R358 PolarHBondContact O-NE 2.95Å |
| 355 | E | 80.2 | Confident | 74.2 | Confident | 81 Ų | 81 | 72 Ų | 72 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -53 | 172.3 | -75.2 | 171.7 | 173.3 | 0 | 0 | 110.6 | L351 T352 W357 R358 E359 | L351-E355 WeakPolarHBondContact O-CB 3.39Å; L351-E355 WeakPolarHBondContact O-CG 3.36Å; L351-E355 PolarHBondContact O-N 3.04Å; T352-E355 PolarHBondContact O-N 2.7Å; E355-W357 PolarHBondContact O-N 3.01Å; E355-R358 VanDerWaalsContact CG-NH2 3.32Å; E355-R358 WeakPolarHBondContact O-CB 3.37Å; E355-R358 PolarHBondContact O-N 3.22Å; E355-E359 VanDerWaalsContact O-CG 3.3Å; E355-E359 WeakPolarHBondContact O-CG 3.48Å; E355-E359 PolarHBondContact O-N 3.22Å |
| 356 | M | 78.5 | Confident | 74.9 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.9 | -41.1 | 175.8 | -68.9 | 165.3 | 66.4 | 0 | 0 | 112 | F212 L326 L341 T352 E359 V360 | F212-M356 HydrophobicContact CB-CE 3.44Å; F212-M356 VanDerWaalsContact CB-CE 3.44Å; F212-M356 HydrophobicContact CB-SD 4.46Å; F212-M356 HydrophobicContact CD1-CE 3.83Å; F212-M356 HydrophobicContact CD2-CB 4.03Å; F212-M356 HydrophobicContact CD2-CE 4.12Å; F212-M356 HydrophobicContact CE2-CB 3.97Å; F212-M356 HydrophobicContact CG-CB 4.42Å; F212-M356 HydrophobicContact CG-CE 3.54Å; F212-M356 HydrophobicContact CZ-CB 4.3Å; L326-M356 HydrophobicContact CD1-CE 3.43Å; L326-M356 VanDerWaalsContact CD1-CE 3.43Å; L326-M356 HydrophobicContact CD1-CG 4.01Å; L326-M356 HydrophobicContact CD1-SD 3.49Å; L326-M356 WeakPolarHBondContact CD1-SD 3.37Å; L341-M356 HydrophobicContact CB-CE 3.15Å; L341-M356 HydrophobicContact CD1-CE 4.06Å; L341-M356 HydrophobicContact CD2-CE 3.91Å; L341-M356 HydrophobicContact CG-CE 3.89Å; T352-M356 HydrophobicContact CG2-CG 4.37Å; T352-M356 HydrophobicContact CG2-SD 3.64Å; T352-M356 WeakPolarHBondContact O-CB 3.4Å; T352-M356 WeakPolarHBondContact O-CG 3.14Å; T352-M356 PolarHBondContact O-N 3.25Å; M356-E359 PolarHBondContact O-N 3.23Å; M356-V360 WeakPolarHBondContact O-CB 3.33Å; M356-V360 VanDerWaalsContact O-CG2 3.32Å; M356-V360 WeakPolarHBondContact O-CG2 3.25Å; M356-V360 PolarHBondContact O-N 2.8Å |
| 357 | W | 82.3 | Confident | 75.3 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 175.9 | 177.6 | -124 | 0 | 0 | 0 | 112.1 | T130 W131 L134 F212 V353 E355 E359 V361 | T130-W357 HydrophobicContact CG2-CB 4.14Å; T130-W357 HydrophobicContact CG2-CG 4.03Å; W131-W357 HydrophobicContact CB-CE3 3.95Å; W131-W357 HydrophobicContact CB-CZ3 4.11Å; L134-W357 HydrophobicContact CD1-CH2 3.42Å; L134-W357 VanDerWaalsContact CD1-CH2 3.42Å; L134-W357 HydrophobicContact CD1-CZ3 3.8Å; L134-W357 HydrophobicContact CD2-CH2 4.03Å; L134-W357 HydrophobicContact CG-CH2 3.47Å; L134-W357 VanDerWaalsContact CG-CH2 3.47Å; L134-W357 HydrophobicContact CG-CZ2 4.35Å; L134-W357 HydrophobicContact CG-CZ3 4.2Å; F212-W357 HydrophobicContact CE2-CB 3.9Å; F212-W357 HydrophobicContact CE2-CE3 4.32Å; F212-W357 HydrophobicContact CZ-CB 4.42Å; F212-W357 HydrophobicContact CZ-CE3 4.05Å; V353-W357 WeakPolarHBondContact O-CB 3.13Å; V353-W357 PolarHBondContact O-N 2.91Å; E355-W357 PolarHBondContact O-N 3.01Å; W357-E359 VanDerWaalsContact C-N 3.35Å; W357-E359 PolarHBondContact O-N 3.15Å; W357-V361 HydrophobicContact CD2-CG2 3.84Å; W357-V361 HydrophobicContact CE3-CG2 3.81Å; W357-V361 HydrophobicContact CH2-CG2 3.3Å; W357-V361 HydrophobicContact CZ2-CG2 3.43Å; W357-V361 VanDerWaalsContact CZ2-CG2 3.43Å; W357-V361 HydrophobicContact CZ3-CG2 3.53Å; W357-V361 WeakPolarHBondContact O-CB 3.38Å; W357-V361 WeakPolarHBondContact O-CG2 3.31Å; W357-V361 PolarHBondContact O-N 3.46Å |
| 358 | R | 83.8 | Confident | 75.6 | Confident | 152 Ų | 152 | 70.2 Ų | 70.2 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 177 | -75.2 | -178.3 | -72.9 | 177.6 | 0.4 | 111.5 | Q354 E355 V361 A362 | Q354-R358 WeakPolarHBondContact O-CG 3.47Å; Q354-R358 PolarHBondContact O-N 3.01Å; Q354-R358 VanDerWaalsContact O-N 3.08Å; Q354-R358 PolarHBondContact O-NE 2.95Å; E355-R358 VanDerWaalsContact CG-NH2 3.32Å; E355-R358 WeakPolarHBondContact O-CB 3.37Å; E355-R358 PolarHBondContact O-N 3.22Å; R358-V361 PolarHBondContact O-N 3.48Å; R358-A362 WeakPolarHBondContact O-CB 3.2Å; R358-A362 PolarHBondContact O-N 2.99Å |
| 359 | E | 80.4 | Confident | 76.7 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | -179 | -68.6 | -60.5 | 152 | 0 | 0 | 112.7 | K330 E355 M356 W357 A362 H363 | K330-E359 WeakPolarHBondContact CD-OE2 3.13Å; K330-E359 WeakPolarHBondContact CE-OE2 3.38Å; K330-E359 IonicContact NZ-OE1 3.7Å; K330-E359 IonicContact NZ-OE2 2.68Å; K330-E359 PolarHBondContact NZ-OE2 3.04Å; E355-E359 VanDerWaalsContact O-CG 3.3Å; E355-E359 WeakPolarHBondContact O-CG 3.48Å; E355-E359 PolarHBondContact O-N 3.22Å; M356-E359 PolarHBondContact O-N 3.23Å; W357-E359 VanDerWaalsContact C-N 3.35Å; W357-E359 PolarHBondContact O-N 3.15Å; E359-A362 PolarHBondContact O-N 3.43Å; E359-H363 WeakPolarHBondContact O-CB 3.33Å; E359-H363 PolarHBondContact O-N 2.99Å |
| 360 | V | 79.2 | Confident | 77 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.8 | 164.1 | 0 | 0 | 0 | 0 | 111.5 | F212 D214 F216 M356 S364 | F212-V360 HydrophobicContact CE1-CB 4.37Å; F212-V360 HydrophobicContact CE1-CG2 3.85Å; F212-V360 HydrophobicContact CZ-CB 4.21Å; F212-V360 HydrophobicContact CZ-CG2 4.07Å; D214-V360 HydrophobicContact CB-CG1 4.18Å; D214-V360 VanDerWaalsContact CG-CG1 3.41Å; D214-V360 WeakPolarHBondContact OD1-CG1 3.45Å; D214-V360 WeakPolarHBondContact OD2-CG1 3.18Å; F216-V360 HydrophobicContact CD2-CG1 4.17Å; M356-V360 WeakPolarHBondContact O-CB 3.33Å; M356-V360 VanDerWaalsContact O-CG2 3.32Å; M356-V360 WeakPolarHBondContact O-CG2 3.25Å; M356-V360 PolarHBondContact O-N 2.8Å; V360-S364 WeakPolarHBondContact O-CB 3.48Å; V360-S364 PolarHBondContact O-N 3.46Å; V360-S364 PolarHBondContact O-OG 2.92Å |
| 361 | V | 81.4 | Confident | 76.9 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F216 W357 R358 H363 S364 M365 | F216-V361 HydrophobicContact CE2-CG2 4.36Å; W357-V361 HydrophobicContact CD2-CG2 3.84Å; W357-V361 HydrophobicContact CE3-CG2 3.81Å; W357-V361 HydrophobicContact CH2-CG2 3.3Å; W357-V361 HydrophobicContact CZ2-CG2 3.43Å; W357-V361 VanDerWaalsContact CZ2-CG2 3.43Å; W357-V361 HydrophobicContact CZ3-CG2 3.53Å; W357-V361 WeakPolarHBondContact O-CB 3.38Å; W357-V361 WeakPolarHBondContact O-CG2 3.31Å; W357-V361 PolarHBondContact O-N 3.46Å; R358-V361 PolarHBondContact O-N 3.48Å; V361-H363 PolarHBondContact O-N 2.84Å; V361-S364 PolarHBondContact O-N 3.12Å; V361-M365 HydrophobicContact CG1-CE 3.86Å; V361-M365 HydrophobicContact CG1-CG 4.22Å; V361-M365 HydrophobicContact CG1-SD 3.69Å; V361-M365 VanDerWaalsContact O-CB 3.27Å; V361-M365 WeakPolarHBondContact O-CB 3.38Å; V361-M365 VanDerWaalsContact O-CG 3.29Å; V361-M365 WeakPolarHBondContact O-CG 3.18Å; V361-M365 PolarHBondContact O-N 3.08Å |
| 362 | A | 80.5 | Confident | 76.9 | Confident | 23 Ų | 23 | 70 Ų | 70 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.7 | -52 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R358 E359 S364 M365 G366 I367 | R358-A362 WeakPolarHBondContact O-CB 3.2Å; R358-A362 PolarHBondContact O-N 2.99Å; E359-A362 PolarHBondContact O-N 3.43Å; A362-S364 PolarHBondContact O-N 3.44Å; A362-M365 PolarHBondContact O-N 2.64Å; A362-G366 PolarHBondContact O-N 2.9Å; A362-I367 CarbonylContact C-O 3.38Å; A362-I367 WeakPolarHBondContact CB-O 3.34Å; A362-I367 PolarHBondContact O-N 3.45Å |
| 363 | H | 79.1 | Confident | 76.8 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 176.3 | -178.6 | 79.4 | 0 | 0 | 0 | 112.7 | A336 E359 V361 M365 G366 | A336-H363 HydrophobicContact CB-CB 4.25Å; E359-H363 WeakPolarHBondContact O-CB 3.33Å; E359-H363 PolarHBondContact O-N 2.99Å; V361-H363 PolarHBondContact O-N 2.84Å; H363-M365 VanDerWaalsContact C-N 3.28Å; H363-M365 PolarHBondContact O-N 3.21Å; H363-G366 PolarHBondContact O-N 3.11Å; H363-G366 VanDerWaalsContact O-N 3.14Å |
| 364 | S | 75.7 | Confident | 76.7 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.8 | -26.8 | -176.6 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | F216 V360 V361 A362 | F216-S364 WeakPolarHBondContact CB-OG 3.48Å; F216-S364 WeakPolarHBondContact CD2-OG 3.16Å; F216-S364 WeakPolarHBondContact CG-OG 3.15Å; V360-S364 WeakPolarHBondContact O-CB 3.48Å; V360-S364 PolarHBondContact O-N 3.46Å; V360-S364 PolarHBondContact O-OG 2.92Å; V361-S364 PolarHBondContact O-N 3.12Å; A362-S364 PolarHBondContact O-N 3.44Å |
| 365 | M | 74.3 | Confident | 76.3 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -90.5 | -4.1 | 175.9 | -66.7 | -171.4 | 176.3 | 0 | 0 | 113.1 | V361 A362 H363 I367 | V361-M365 HydrophobicContact CG1-CE 3.86Å; V361-M365 HydrophobicContact CG1-CG 4.22Å; V361-M365 HydrophobicContact CG1-SD 3.69Å; V361-M365 VanDerWaalsContact O-CB 3.27Å; V361-M365 WeakPolarHBondContact O-CB 3.38Å; V361-M365 VanDerWaalsContact O-CG 3.29Å; V361-M365 WeakPolarHBondContact O-CG 3.18Å; V361-M365 PolarHBondContact O-N 3.08Å; A362-M365 PolarHBondContact O-N 2.64Å; H363-M365 VanDerWaalsContact C-N 3.28Å; H363-M365 PolarHBondContact O-N 3.21Å; M365-I367 VanDerWaalsContact C-N 3.27Å; M365-I367 HydrophobicContact CB-CD1 3.64Å; M365-I367 HydrophobicContact CB-CG1 3.76Å; M365-I367 HydrophobicContact CG-CD1 4.44Å; M365-I367 PolarHBondContact O-N 2.72Å; M365-I367 HydrophobicContact SD-CD1 4.02Å |
| 366 | G | 70.8 | Confident | 76 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 33.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A362 H363 | A362-G366 PolarHBondContact O-N 2.9Å; H363-G366 PolarHBondContact O-N 3.11Å; H363-G366 VanDerWaalsContact O-N 3.14Å |
| 367 | I | 64 | Low | 75.8 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 52% | 0.518 | 44% | 0.44 | S | S | . | . | trans | -100.1 | 114.8 | 176.3 | -57.2 | 171.6 | 0 | 0 | 0 | 106.5 | A362 M365 | A362-I367 CarbonylContact C-O 3.38Å; A362-I367 WeakPolarHBondContact CB-O 3.34Å; A362-I367 PolarHBondContact O-N 3.45Å; M365-I367 VanDerWaalsContact C-N 3.27Å; M365-I367 HydrophobicContact CB-CD1 3.64Å; M365-I367 HydrophobicContact CB-CG1 3.76Å; M365-I367 HydrophobicContact CG-CD1 4.44Å; M365-I367 PolarHBondContact O-N 2.72Å; M365-I367 HydrophobicContact SD-CD1 4.02Å | ||
| 368 | D | 57.6 | Low | 75.2 | Confident | 219 Ų | 219 | 86 Ų | 86 | 100% | 1.171 | 47% | 0.465 | S | S | * | . | trans | -75.1 | 0 | 176 | -72.9 | -28.9 | 0 | 0 | 0 | 112.9 |
Retrieved 368 of 368 residues in 100.7 ms
(Link to these results)