| 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 | 45.7 | Very low | 40.9 | Very low | 213 Ų | 213 | 110.4 Ų | 110.4 | 100% | 1.049 | 62% | 0.618 | S | S | * | * | 0 | -45 | 0 | -128.9 | 175.6 | 66.5 | 0 | 0 | 113.6 | M4 L5 | M1-M4 PolarHBondContact O-N 2.69Å; M1-L5 PolarHBondContact O-N 2.86Å | |||
| 2 | A | 33.4 | Very low | 41.1 | Very low | 82 Ų | 82 | 104.5 Ų | 104.5 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -39.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | M4 L5 A6 | A2-M4 VanDerWaalsContact C-N 3.33Å; A2-M4 PolarHBondContact O-N 3.12Å; A2-L5 PolarHBondContact O-N 3.2Å; A2-A6 PolarHBondContact O-N 3.14Å |
| 3 | A | 33.3 | Very low | 41.4 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A6 F7 | A3-A6 PolarHBondContact O-N 3.4Å; A3-F7 WeakPolarHBondContact O-CB 3.45Å; A3-F7 PolarHBondContact O-N 2.95Å |
| 4 | M | 33.2 | Very low | 42.1 | Very low | 117 Ų | 117 | 101.9 Ų | 101.9 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -31.6 | 178.8 | -151.6 | 174.8 | 87.3 | 0 | 0 | 112 | M1 A2 R8 | M1-M4 PolarHBondContact O-N 2.69Å; A2-M4 VanDerWaalsContact C-N 3.33Å; A2-M4 PolarHBondContact O-N 3.12Å; M4-R8 VanDerWaalsContact O-CG 3.3Å; M4-R8 WeakPolarHBondContact O-CG 3.17Å; M4-R8 PolarHBondContact O-N 3.26Å; M4-R8 VanDerWaalsContact O-N 3.16Å |
| 5 | L | 35.7 | Very low | 43.3 | Very low | 119 Ų | 119 | 101.8 Ų | 101.8 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.8 | -42.4 | 173.1 | -162.4 | 77.9 | 0 | 0 | 0 | 111.1 | M1 A2 R8 V9 | M1-L5 PolarHBondContact O-N 2.86Å; A2-L5 PolarHBondContact O-N 3.2Å; L5-R8 PolarHBondContact O-N 3.07Å; L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.09Å; L5-V9 PolarHBondContact O-N 3.4Å |
| 6 | A | 31.2 | Very low | 43.8 | Very low | 54 Ų | 54 | 99 Ų | 99 | 45% | 0.446 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2 A3 R8 V9 V10 | A2-A6 PolarHBondContact O-N 3.14Å; A3-A6 PolarHBondContact O-N 3.4Å; A6-R8 PolarHBondContact O-N 3.39Å; A6-V9 PolarHBondContact O-N 2.69Å; A6-V10 WeakPolarHBondContact O-CB 3.18Å; A6-V10 VanDerWaalsContact O-CG2 3.29Å; A6-V10 WeakPolarHBondContact O-CG2 3.42Å; A6-V10 PolarHBondContact O-N 2.93Å |
| 7 | F | 45.7 | Very low | 44.2 | Very low | 158 Ų | 158 | 95.6 Ų | 95.6 | 69% | 0.693 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -41.6 | 175.5 | -168.3 | -95.4 | 0 | 0 | 0 | 112.3 | A3 V10 A11 | A3-F7 WeakPolarHBondContact O-CB 3.45Å; A3-F7 PolarHBondContact O-N 2.95Å; F7-V10 PolarHBondContact O-N 2.92Å; F7-A11 WeakPolarHBondContact O-CB 3.31Å; F7-A11 PolarHBondContact O-N 3.46Å |
| 8 | R | 45.6 | Very low | 45 | Very low | 170 Ų | 170 | 97.2 Ų | 97.2 | 64% | 0.642 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 175.8 | -76.1 | 178.1 | 179.1 | -166.2 | -0.3 | 113.2 | M4 L5 A6 G12 | M4-R8 VanDerWaalsContact O-CG 3.3Å; M4-R8 WeakPolarHBondContact O-CG 3.17Å; M4-R8 PolarHBondContact O-N 3.26Å; M4-R8 VanDerWaalsContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.07Å; A6-R8 PolarHBondContact O-N 3.39Å; R8-G12 PolarHBondContact O-N 3.22Å |
| 9 | V | 46.2 | Very low | 45.6 | Very low | 82 Ų | 82 | 95.2 Ų | 95.2 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71 | -45.2 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | L5 A6 G12 L13 | L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.09Å; L5-V9 PolarHBondContact O-N 3.4Å; A6-V9 PolarHBondContact O-N 2.69Å; V9-G12 PolarHBondContact O-N 2.88Å; V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 HydrophobicContact CG1-CG 4.48Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.93Å |
| 10 | V | 51.3 | Low | 45.9 | Very low | 96 Ų | 96 | 93 Ų | 93 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | A6 F7 L13 A14 | A6-V10 WeakPolarHBondContact O-CB 3.18Å; A6-V10 VanDerWaalsContact O-CG2 3.29Å; A6-V10 WeakPolarHBondContact O-CG2 3.42Å; A6-V10 PolarHBondContact O-N 2.93Å; F7-V10 PolarHBondContact O-N 2.92Å; V10-L13 PolarHBondContact O-N 2.89Å; V10-A14 VanDerWaalsContact O-CB 3.31Å; V10-A14 WeakPolarHBondContact O-CB 3.4Å; V10-A14 PolarHBondContact O-N 2.69Å |
| 11 | A | 48.2 | Very low | 46.4 | Very low | 42 Ų | 42 | 91.2 Ų | 91.2 | 35% | 0.347 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F7 A14 V15 | F7-A11 WeakPolarHBondContact O-CB 3.31Å; F7-A11 PolarHBondContact O-N 3.46Å; A11-A14 PolarHBondContact O-N 3.5Å; A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.21Å; A11-V15 PolarHBondContact O-N 2.82Å |
| 12 | G | 43.9 | Very low | 47 | Very low | 40 Ų | 40 | 83.6 Ų | 83.6 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R8 V9 A16 | R8-G12 PolarHBondContact O-N 3.22Å; V9-G12 PolarHBondContact O-N 2.88Å; G12-A16 VanDerWaalsContact O-CB 3.29Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 2.84Å |
| 13 | L | 45.4 | Very low | 48.2 | Very low | 121 Ų | 121 | 84.8 Ų | 84.8 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.3 | -36.9 | 174.9 | -72.9 | 169.4 | 0 | 0 | 0 | 112.1 | V9 V10 G17 | V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 HydrophobicContact CG1-CG 4.48Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.93Å; V10-L13 PolarHBondContact O-N 2.89Å; L13-G17 PolarHBondContact O-N 2.77Å |
| 14 | A | 50.1 | Low | 49.7 | Very low | 52 Ų | 52 | 84.7 Ų | 84.7 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V10 A11 G17 L18 | V10-A14 VanDerWaalsContact O-CB 3.31Å; V10-A14 WeakPolarHBondContact O-CB 3.4Å; V10-A14 PolarHBondContact O-N 2.69Å; A11-A14 PolarHBondContact O-N 3.5Å; A14-G17 PolarHBondContact O-N 2.92Å; A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 WeakPolarHBondContact O-CG 3.07Å; A14-L18 PolarHBondContact O-N 3.14Å |
| 15 | V | 60.8 | Low | 50.8 | Low | 100 Ų | 100 | 81.6 Ų | 81.6 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | A11 G17 L18 A19 | A11-V15 VanDerWaalsContact O-CG2 3.29Å; A11-V15 WeakPolarHBondContact O-CG2 3.21Å; A11-V15 PolarHBondContact O-N 2.82Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-L18 PolarHBondContact O-N 2.88Å; V15-A19 VanDerWaalsContact O-CB 3.25Å; V15-A19 WeakPolarHBondContact O-CB 3.04Å; V15-A19 PolarHBondContact O-N 3.12Å |
| 16 | A | 51.9 | Low | 52.1 | Low | 57 Ų | 57 | 82.1 Ų | 82.1 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G12 A19 A20 | G12-A16 VanDerWaalsContact O-CB 3.29Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 2.84Å; A16-A19 PolarHBondContact O-N 3.47Å; A16-A20 VanDerWaalsContact O-CB 3.22Å; A16-A20 WeakPolarHBondContact O-CB 3.09Å; A16-A20 PolarHBondContact O-N 3.28Å |
| 17 | G | 49.8 | Very low | 53.6 | Low | 41 Ų | 41 | 83 Ų | 83 | 42% | 0.423 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L13 A14 V15 A20 A21 | L13-G17 PolarHBondContact O-N 2.77Å; A14-G17 PolarHBondContact O-N 2.92Å; V15-G17 VanDerWaalsContact C-N 3.34Å; G17-A20 PolarHBondContact O-N 3.03Å; G17-A21 VanDerWaalsContact O-CB 3.26Å; G17-A21 WeakPolarHBondContact O-CB 3.24Å; G17-A21 PolarHBondContact O-N 3.32Å |
| 18 | L | 58.3 | Low | 54.4 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 65% | 0.654 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 174.8 | -78.2 | 165 | 0 | 0 | 0 | 112.1 | A14 V15 A21 A22 | A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 WeakPolarHBondContact O-CG 3.07Å; A14-L18 PolarHBondContact O-N 3.14Å; V15-L18 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 2.66Å; L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 3.1Å |
| 19 | A | 56.6 | Low | 55.2 | Low | 59 Ų | 59 | 75.2 Ų | 75.2 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V15 A16 A22 L23 | V15-A19 VanDerWaalsContact O-CB 3.25Å; V15-A19 WeakPolarHBondContact O-CB 3.04Å; V15-A19 PolarHBondContact O-N 3.12Å; A16-A19 PolarHBondContact O-N 3.47Å; A19-A22 PolarHBondContact O-N 3.41Å; A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.41Å; A19-L23 PolarHBondContact O-N 3.1Å |
| 20 | A | 51.6 | Low | 56.1 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A16 G17 L23 V24 | A16-A20 VanDerWaalsContact O-CB 3.22Å; A16-A20 WeakPolarHBondContact O-CB 3.09Å; A16-A20 PolarHBondContact O-N 3.28Å; G17-A20 PolarHBondContact O-N 3.03Å; A20-L23 PolarHBondContact O-N 3.42Å; A20-V24 WeakPolarHBondContact O-CB 3.34Å; A20-V24 WeakPolarHBondContact O-CG2 3.05Å; A20-V24 PolarHBondContact O-N 3.32Å |
| 21 | A | 56.6 | Low | 57 | Low | 56 Ų | 56 | 71.1 Ų | 71.1 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G17 L18 V24 A25 | G17-A21 VanDerWaalsContact O-CB 3.26Å; G17-A21 WeakPolarHBondContact O-CB 3.24Å; G17-A21 PolarHBondContact O-N 3.32Å; L18-A21 PolarHBondContact O-N 2.66Å; A21-V24 PolarHBondContact O-N 2.93Å; A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.39Å |
| 22 | A | 57.1 | Low | 57.3 | Low | 52 Ų | 52 | 70.5 Ų | 70.5 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L18 A19 A25 M26 | L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 3.1Å; A19-A22 PolarHBondContact O-N 3.41Å; A22-A25 PolarHBondContact O-N 3.18Å; A22-M26 WeakPolarHBondContact O-CB 3.43Å; A22-M26 VanDerWaalsContact O-CG 3.28Å; A22-M26 WeakPolarHBondContact O-CG 3.27Å; A22-M26 PolarHBondContact O-N 3.19Å |
| 23 | L | 59.8 | Low | 57.9 | Low | 107 Ų | 107 | 73.2 Ų | 73.2 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 173.9 | -168.5 | 83.3 | 0 | 0 | 0 | 110.8 | A19 A20 M26 L27 | A19-L23 VanDerWaalsContact O-CB 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.41Å; A19-L23 PolarHBondContact O-N 3.1Å; A20-L23 PolarHBondContact O-N 3.42Å; L23-M26 PolarHBondContact O-N 3.01Å; L23-L27 HydrophobicContact CD2-CD1 4.25Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 WeakPolarHBondContact O-CD1 3.41Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.65Å |
| 24 | V | 63.8 | Low | 58.1 | Low | 79 Ų | 79 | 69.3 Ų | 69.3 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | A20 A21 M26 L27 L28 | A20-V24 WeakPolarHBondContact O-CB 3.34Å; A20-V24 WeakPolarHBondContact O-CG2 3.05Å; A20-V24 PolarHBondContact O-N 3.32Å; A21-V24 PolarHBondContact O-N 2.93Å; V24-M26 PolarHBondContact O-N 3.08Å; V24-L27 CarbonylContact O-C 3.56Å; V24-L27 PolarHBondContact O-N 3.01Å; V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.11Å; V24-L28 WeakPolarHBondContact O-CB 3.42Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.44Å |
| 25 | A | 56.4 | Low | 57.7 | Low | 53 Ų | 53 | 70.7 Ų | 70.7 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A21 A22 L28 E29 | A21-A25 VanDerWaalsContact O-CB 3.3Å; A21-A25 WeakPolarHBondContact O-CB 3.49Å; A21-A25 PolarHBondContact O-N 3.39Å; A22-A25 PolarHBondContact O-N 3.18Å; A25-L28 PolarHBondContact O-N 2.79Å; A25-E29 WeakPolarHBondContact O-CB 3.38Å; A25-E29 PolarHBondContact O-N 3.4Å |
| 26 | M | 63.7 | Low | 56.9 | Low | 130 Ų | 130 | 71.3 Ų | 71.3 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 174.2 | -74.7 | -173.8 | 74.7 | 0 | 0 | 112.1 | A22 L23 V24 E29 H30 | A22-M26 WeakPolarHBondContact O-CB 3.43Å; A22-M26 VanDerWaalsContact O-CG 3.28Å; A22-M26 WeakPolarHBondContact O-CG 3.27Å; A22-M26 PolarHBondContact O-N 3.19Å; L23-M26 PolarHBondContact O-N 3.01Å; V24-M26 PolarHBondContact O-N 3.08Å; M26-E29 PolarHBondContact O-N 3.41Å; M26-H30 WeakPolarHBondContact O-CB 3.39Å; M26-H30 PolarHBondContact O-N 2.79Å |
| 27 | L | 63.2 | Low | 56.2 | Low | 72 Ų | 72 | 73.6 Ų | 73.6 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.2 | -70 | 165.6 | 0 | 0 | 0 | 110.8 | L23 V24 H30 Y31 | L23-L27 HydrophobicContact CD2-CD1 4.25Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 WeakPolarHBondContact O-CD1 3.41Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.65Å; V24-L27 CarbonylContact O-C 3.56Å; V24-L27 PolarHBondContact O-N 3.01Å; L27-H30 PolarHBondContact O-N 2.75Å; L27-Y31 HydrophobicContact CB-CD2 4.28Å; L27-Y31 HydrophobicContact CB-CE2 4.2Å; L27-Y31 HydrophobicContact CD2-CE2 3.66Å; L27-Y31 WeakPolarHBondContact O-CB 3.49Å; L27-Y31 WeakPolarHBondContact O-CD2 3.31Å; L27-Y31 PolarHBondContact O-N 3.45Å |
| 28 | L | 62.9 | Low | 55.7 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 37% | 0.366 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.6 | -70.1 | 172.1 | 0 | 0 | 0 | 110.7 | V24 A25 Y31 G32 L33 A34 | V24-L28 HydrophobicContact CG1-CD1 3.79Å; V24-L28 HydrophobicContact CG1-CG 4.11Å; V24-L28 WeakPolarHBondContact O-CB 3.42Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.44Å; A25-L28 PolarHBondContact O-N 2.79Å; L28-Y31 PolarHBondContact O-N 3.4Å; L28-G32 PolarHBondContact O-N 2.61Å; L28-G32 VanDerWaalsContact O-N 3.13Å; L28-L33 HydrophobicContact CB-CB 4.09Å; L28-L33 HydrophobicContact CD2-CB 3.63Å; L28-L33 HydrophobicContact CD2-CD1 3.51Å; L28-L33 HydrophobicContact CD2-CG 4.2Å; L28-L33 HydrophobicContact CG-CB 4.47Å; L28-L33 WeakPolarHBondContact O-CA 3.4Å; L28-L33 WeakPolarHBondContact O-CB 3.44Å; L28-L33 PolarHBondContact O-N 3.44Å; L28-A34 PolarHBondContact O-N 2.77Å; L28-A34 VanDerWaalsContact O-N 3.17Å |
| 29 | E | 61.2 | Low | 54.8 | Low | 95 Ų | 95 | 75.3 Ų | 75.3 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 175.9 | -169.1 | 178.1 | -176.7 | 0 | 0 | 112.2 | A25 M26 Y31 G32 A34 | A25-E29 WeakPolarHBondContact O-CB 3.38Å; A25-E29 PolarHBondContact O-N 3.4Å; M26-E29 PolarHBondContact O-N 3.41Å; E29-Y31 VanDerWaalsContact C-N 3.29Å; E29-Y31 PolarHBondContact O-N 3.24Å; E29-G32 PolarHBondContact O-N 2.9Å; E29-G32 VanDerWaalsContact O-N 3.15Å; E29-A34 HydrophobicContact CB-CB 4.21Å |
| 30 | H | 65.8 | Low | 53.7 | Low | 67 Ų | 67 | 80.1 Ų | 80.1 | 31% | 0.31 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 177 | -169.9 | 91 | 0 | 0 | 0 | 111.7 | M26 L27 F278 R431 | M26-H30 WeakPolarHBondContact O-CB 3.39Å; M26-H30 PolarHBondContact O-N 2.79Å; L27-H30 PolarHBondContact O-N 2.75Å; H30-F278 HydrophobicContact CB-CZ 4.37Å; H30-F278 AromaticContact CE1-CE2 3.31Å; H30-F278 WeakPolarHBondContact CE1-CE2 3.42Å; H30-F278 AromaticContact CE1-CZ 3.44Å; H30-F278 VanDerWaalsContact CE1-CZ 3.44Å; H30-F278 WeakPolarHBondContact CE1-CZ 3.31Å; H30-F278 AromaticContact CG-CZ 3.66Å; H30-F278 AromaticContact ND1-CE2 3.63Å; H30-F278 AromaticContact ND1-CZ 3.26Å; H30-F278 VanDerWaalsContact ND1-CZ 3.26Å; H30-F278 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F278 AromaticContact NE2-CE2 3.85Å; H30-F278 AromaticContact NE2-CZ 3.91Å; H30-F278 WeakPolarHBondContact O-CZ 3.48Å; H30-R431 VanDerWaalsContact O-CZ 3.22Å; H30-R431 PolarHBondContact O-NH1 3.4Å; H30-R431 PolarHBondContact O-NH2 2.95Å |
| 31 | Y | 69.3 | Low | 53.2 | Low | 24 Ų | 24 | 83 Ų | 83 | 9% | 0.094 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.1 | 178.8 | -61.9 | -59.1 | 0 | 0 | 0 | 114.9 | L27 L28 E29 L33 F428 R431 T432 | L27-Y31 HydrophobicContact CB-CD2 4.28Å; L27-Y31 HydrophobicContact CB-CE2 4.2Å; L27-Y31 HydrophobicContact CD2-CE2 3.66Å; L27-Y31 WeakPolarHBondContact O-CB 3.49Å; L27-Y31 WeakPolarHBondContact O-CD2 3.31Å; L27-Y31 PolarHBondContact O-N 3.45Å; L28-Y31 PolarHBondContact O-N 3.4Å; E29-Y31 VanDerWaalsContact C-N 3.29Å; E29-Y31 PolarHBondContact O-N 3.24Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-F428 HydrophobicContact CD1-CB 4.32Å; Y31-F428 HydrophobicContact CE1-CB 4.06Å; Y31-F428 HydrophobicContact CE1-CD2 4.04Å; Y31-F428 AromaticContact CE2-CD2 3.92Å; Y31-F428 HydrophobicContact CE2-CD2 3.92Å; Y31-F428 AromaticContact CZ-CD2 3.54Å; Y31-F428 WeakPolarHBondContact OH-CD2 3.46Å; Y31-R431 PolarHBondContact O-NH2 2.93Å; Y31-T432 PolarHBondContact OH-OG1 3.3Å |
| 32 | G | 54.4 | Low | 52.3 | Low | 30 Ų | 30 | 89.1 Ų | 89.1 | 31% | 0.309 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 21.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | L28 E29 | L28-G32 PolarHBondContact O-N 2.61Å; L28-G32 VanDerWaalsContact O-N 3.13Å; E29-G32 PolarHBondContact O-N 2.9Å; E29-G32 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 57.3 | Low | 51.6 | Low | 97 Ų | 97 | 92.7 Ų | 92.7 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | trans | -86.5 | -14.9 | 171.5 | -69.3 | 169.2 | 0 | 0 | 0 | 112.5 | L28 Y31 P424 | L28-L33 HydrophobicContact CB-CB 4.09Å; L28-L33 HydrophobicContact CD2-CB 3.63Å; L28-L33 HydrophobicContact CD2-CD1 3.51Å; L28-L33 HydrophobicContact CD2-CG 4.2Å; L28-L33 HydrophobicContact CG-CB 4.47Å; L28-L33 WeakPolarHBondContact O-CA 3.4Å; L28-L33 WeakPolarHBondContact O-CB 3.44Å; L28-L33 PolarHBondContact O-N 3.44Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; L33-P424 HydrophobicContact CD1-CB 4.09Å; L33-P424 HydrophobicContact CD1-CG 4.38Å; L33-P424 HydrophobicContact CD2-CB 4.16Å; L33-P424 HydrophobicContact CD2-CG 3.55Å; L33-P424 HydrophobicContact CG-CB 4.23Å; L33-P424 HydrophobicContact CG-CG 4.13Å | ||
| 34 | A | 49.2 | Very low | 50.8 | Low | 39 Ų | 39 | 91.8 Ų | 91.8 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -105.7 | 136.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | L28 E29 Q36 | L28-A34 PolarHBondContact O-N 2.77Å; L28-A34 VanDerWaalsContact O-N 3.17Å; E29-A34 HydrophobicContact CB-CB 4.21Å; A34-Q36 PolarHBondContact O-N 3.21Å |
| 35 | G | 42.4 | Very low | 49.7 | Very low | 80 Ų | 80 | 93.4 Ų | 93.4 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 36 | Q | 43.3 | Very low | 49.1 | Very low | 113 Ų | 113 | 97.2 Ų | 97.2 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 136.8 | 173.1 | -74.5 | -98.4 | -46.8 | 0 | 0 | 109.2 | A34 S38 | A34-Q36 PolarHBondContact O-N 3.21Å; Q36-S38 PolarHBondContact O-N 3.31Å |
| 37 | P | 37.4 | Very low | 48.4 | Very low | 106 Ų | 106 | 101.8 Ų | 101.8 | 69% | 0.688 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 128 | 170.8 | 22.4 | -24.9 | 0 | 0 | 0 | 109.7 | ||
| 38 | S | 39 | Very low | 47.8 | Very low | 88 Ų | 88 | 107.7 Ų | 107.7 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.9 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | Q36 L40 | Q36-S38 PolarHBondContact O-N 3.31Å; S38-L40 PolarHBondContact O-N 3.14Å |
| 39 | P | 38.8 | Very low | 47.7 | Very low | 114 Ų | 114 | 105.6 Ų | 105.6 | 74% | 0.74 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.6 | 161.9 | -1.5 | 11.6 | 0 | 0 | 0 | 108.5 | ||
| 40 | L | 34.6 | Very low | 48.1 | Very low | 160 Ų | 160 | 107.7 Ų | 107.7 | 84% | 0.838 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 131.1 | 173.8 | -76.4 | 158.7 | 0 | 0 | 0 | 109.3 | S38 H42 | S38-L40 PolarHBondContact O-N 3.14Å; L40-H42 PolarHBondContact O-N 3.18Å |
| 41 | P | 41.9 | Very low | 49.1 | Very low | 111 Ų | 111 | 106.5 Ų | 106.5 | 72% | 0.721 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 124.3 | 176.9 | 22.4 | -24.8 | 0 | 0 | 0 | 109.5 | ||
| 42 | H | 37.3 | Very low | 50.2 | Low | 185 Ų | 185 | 106.1 Ų | 106.1 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 124.7 | 164.6 | -79 | -61.6 | 0 | 0 | 0 | 108.8 | L40 A44 | L40-H42 PolarHBondContact O-N 3.18Å; H42-A44 PolarHBondContact O-N 3.16Å; H42-A44 VanDerWaalsContact O-N 3.16Å |
| 43 | P | 41.4 | Very low | 52.2 | Low | 127 Ų | 127 | 104.7 Ų | 104.7 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | trans | -78.4 | 104.7 | 178.8 | 29.2 | -28.9 | 0 | 0 | 0 | 109.6 | ||||
| 44 | A | 42.6 | Very low | 54 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 72% | 0.719 | 58% | 0.58 | S | S | * | * | trans | -89.9 | 142 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | H42 | H42-A44 PolarHBondContact O-N 3.16Å; H42-A44 VanDerWaalsContact O-N 3.16Å | ||
| 45 | P | 41.5 | Very low | 56.2 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -68.5 | 150.7 | -178.4 | 28.2 | -34.1 | 0 | 0 | 0 | 112.1 | R47 | P45-R47 PolarHBondContact O-N 2.64Š| ||
| 46 | P | 43.1 | Very low | 58.6 | Low | 134 Ų | 134 | 100 Ų | 100 | 87% | 0.87 | 57% | 0.565 | S | S | * | * | trans | -78.9 | 86.5 | -170.8 | 32.7 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 47 | R | 49.2 | Very low | 60.9 | Low | 226 Ų | 226 | 98.7 Ų | 98.7 | 85% | 0.853 | 56% | 0.562 | S | S | * | * | trans | -81.8 | 130.5 | 153.9 | -78.5 | -178.2 | 172.5 | 175 | -2.2 | 107 | P45 P49 | P45-R47 PolarHBondContact O-N 2.64Å; R47-P49 WeakPolarHBondContact O-CD 3.32Å | ||
| 48 | R | 50.9 | Low | 63.6 | Low | 195 Ų | 195 | 96.8 Ų | 96.8 | 74% | 0.736 | 55% | 0.551 | S | S | * | * | trans | -52.8 | 110.1 | 167.9 | -70.8 | -175.8 | -177.8 | -174 | 0.8 | 107.1 | H50 | R48-H50 VanDerWaalsContact C-N 3.25Å; R48-H50 PolarHBondContact O-N 2.92Å | ||
| 49 | P | 62 | Low | 66.3 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 18% | 0.175 | 53% | 0.53 | C | S | . | . | trans | -75.4 | 92.5 | 175.7 | 19 | -8 | 0 | 0 | 0 | 105.8 | R47 E337 R338 H341 | R47-P49 WeakPolarHBondContact O-CD 3.32Å; P49-E337 HydrophobicContact CB-CG 4.3Å; P49-E337 HydrophobicContact CG-CG 3.45Å; P49-E337 VanDerWaalsContact CG-CG 3.45Å; P49-R338 HydrophobicContact CB-CG 4.35Å; P49-R338 HydrophobicContact CG-CG 4.49Å; P49-H341 WeakPolarHBondContact CD-CD2 3.18Å | ||
| 50 | H | 68.3 | Low | 69.1 | Low | 138 Ų | 138 | 89.5 Ų | 89.5 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -85.7 | 136.4 | 164 | -73.2 | -67.2 | 0 | 0 | 0 | 107.7 | R48 | R48-H50 VanDerWaalsContact C-N 3.25Å; R48-H50 PolarHBondContact O-N 2.92Å |
| 51 | P | 87.8 | Confident | 72.1 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | S | Bend | cis | -90.4 | 152.2 | 9 | 38.7 | -37.4 | 0 | 0 | 0 | 112.8 | N59 R338 | P51-N59 HydrophobicContact CG-CB 4.49Å; P51-R338 VanDerWaalsContact O-CD 3.22Å; P51-R338 WeakPolarHBondContact O-CD 3.39Å; P51-R338 PolarHBondContact O-NE 2.8Å; P51-R338 PolarHBondContact O-NH1 3.41Å |
| 52 | A | 92 | Very high | 74.9 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | trans | -130.7 | 151.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G54 H302 R338 H341 | A52-G54 PolarHBondContact O-N 3.23Å; A52-G54 VanDerWaalsContact O-N 3.14Å; A52-H302 PolarHBondContact O-CD2 2.73Å; A52-H302 VanDerWaalsContact O-CD2 3.31Å; A52-H302 PolarHBondContact O-NE2 3.1Å; A52-R338 HydrophobicContact CB-CB 4.4Å; A52-H341 HydrophobicContact CB-CB 3.94Å | ||
| 53 | P | 95.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -51.5 | 117.5 | -175.7 | -30.1 | 36.1 | 0 | 0 | 0 | 113.8 | H302 L304 N322 S342 T343 R346 | P53-H302 HydrophobicContact CG-CB 4.16Å; P53-L304 HydrophobicContact CG-CD1 3.85Å; P53-N322 HydrophobicContact CB-CB 3.92Å; P53-N322 HydrophobicContact CG-CB 4.12Å; P53-S342 CarbonylContact O-C 3.49Å; P53-S342 VanDerWaalsContact O-CA 3.27Å; P53-S342 WeakPolarHBondContact O-CA 3.22Å; P53-S342 WeakPolarHBondContact O-CB 3.47Å; P53-T343 PolarHBondContact O-N 3.17Å; P53-R346 HydrophobicContact CB-CG 4.49Å |
| 54 | G | 95.1 | Very high | 80.5 | Confident | 8 Ų | 8 | 64 Ų | 64 | 8% | 0.082 | 35% | 0.353 | C | S | . | . | trans | -132.1 | -162.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A52 T343 R346 | A52-G54 PolarHBondContact O-N 3.23Å; A52-G54 VanDerWaalsContact O-N 3.14Å; G54-T343 WeakPolarHBondContact CA-OG1 2.93Å; G54-R346 PolarHBondContact O-NH1 2.96Å | ||
| 55 | P | 95.3 | Very high | 83.2 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -79.2 | -19 | -178 | 28.9 | -32.6 | 0 | 0 | 0 | 114.5 | ||
| 56 | G | 93.9 | Very high | 85.9 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -81.4 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | R346 | G56-R346 PolarHBondContact O-NH1 2.94Å; G56-R346 PolarHBondContact O-NH2 3.27Å; G56-R346 VanDerWaalsContact O-NH2 3.14Å |
| 57 | D | 92.4 | Very high | 88.6 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -105.7 | 11.2 | -178.2 | 59.8 | -6.6 | 0 | 0 | 0 | 114.2 | I60 V373 S374 I377 | D57-I60 WeakPolarHBondContact O-CG2 3.4Å; D57-V373 HydrophobicContact CB-CG1 4.1Å; D57-S374 WeakPolarHBondContact CB-OG 2.99Å; D57-S374 WeakPolarHBondContact OD2-CB 2.97Å; D57-S374 PolarHBondContact OD2-OG 2.83Å; D57-I377 HydrophobicContact CB-CD1 3.75Å |
| 58 | S | 93.2 | Very high | 90.9 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 47% | 0.469 | 20% | 0.202 | S | C | . | . | trans | -88.9 | 170.9 | -179.8 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | I60 H302 | S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 3.47Å; S58-H302 PolarHBondContact O-CE1 3.31Å; S58-H302 VanDerWaalsContact O-CE1 3.24Å | ||
| 59 | N | 95.7 | Very high | 93.2 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 58.8 | 30.6 | 178.8 | -50.2 | -69.3 | 0 | 0 | 0 | 114.6 | P51 F183 H302 | P51-N59 HydrophobicContact CG-CB 4.49Å; N59-F183 HydrophobicContact CB-CD2 4.38Å; N59-F183 HydrophobicContact CB-CG 4.23Å; N59-F183 WeakPolarHBondContact OD1-CB 3.36Å; N59-H302 PolarHBondContact O-N 3.16Å |
| 60 | I | 97.7 | Very high | 95 | Very high | 17 Ų | 17 | 26.8 Ų | 26.8 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.3 | 179.2 | -171.5 | 171.6 | 0 | 0 | 0 | 111.2 | D57 S58 W62 F300 D301 L348 I377 | D57-I60 WeakPolarHBondContact O-CG2 3.4Å; S58-I60 VanDerWaalsContact C-N 3.26Å; S58-I60 PolarHBondContact O-N 3.47Å; I60-W62 HydrophobicContact CG1-CE3 4.45Å; I60-F300 VanDerWaalsContact CA-O 3.27Å; I60-F300 WeakPolarHBondContact CA-O 3.4Å; I60-D301 HydrophobicContact CB-CB 4.5Å; I60-D301 HydrophobicContact CD1-CB 3.86Å; I60-D301 HydrophobicContact CG1-CB 3.98Å; I60-L348 HydrophobicContact CD1-CD1 4.23Å; I60-L348 HydrophobicContact CD1-CD2 3.78Å; I60-L348 HydrophobicContact CD1-CG 4.24Å; I60-I377 HydrophobicContact CG2-CD1 3.86Å |
| 61 | F | 98.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 20.4 Ų | 20.4 | 5% | 0.053 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 160.4 | 160.9 | 77 | -82.8 | 0 | 0 | 0 | 109.5 | A97 L98 H179 T181 F183 Y186 F188 A299 F300 | F61-A97 HydrophobicContact CD2-CB 4.08Å; F61-L98 HydrophobicContact CE2-CD2 4.18Å; F61-H179 AromaticContact CD2-CD2 3.83Å; F61-H179 AromaticContact CD2-NE2 3.98Å; F61-H179 AromaticContact CE2-CD2 3.83Å; F61-T181 HydrophobicContact CD1-CG2 4.3Å; F61-F183 HydrophobicContact CD1-CE2 4.22Å; F61-F183 HydrophobicContact CD1-CZ 4.22Å; F61-Y186 HydrophobicContact CD1-CD2 4.28Å; F61-Y186 HydrophobicContact CD1-CE2 4.16Å; F61-Y186 AromaticContact CE1-CD1 3.57Å; F61-Y186 HydrophobicContact CE1-CD1 3.57Å; F61-Y186 AromaticContact CE1-CD2 3.39Å; F61-Y186 HydrophobicContact CE1-CD2 3.39Å; F61-Y186 AromaticContact CE1-CE1 3.7Å; F61-Y186 HydrophobicContact CE1-CE1 3.7Å; F61-Y186 AromaticContact CE1-CE2 3.52Å; F61-Y186 HydrophobicContact CE1-CE2 3.52Å; F61-Y186 AromaticContact CE1-CG 3.44Å; F61-Y186 HydrophobicContact CE1-CG 3.44Å; F61-Y186 VanDerWaalsContact CE1-CG 3.44Å; F61-Y186 AromaticContact CE1-CZ 3.69Å; F61-Y186 AromaticContact CZ-CD1 3.78Å; F61-Y186 HydrophobicContact CZ-CD1 3.78Å; F61-Y186 AromaticContact CZ-CD2 3.9Å; F61-Y186 HydrophobicContact CZ-CD2 3.9Å; F61-Y186 HydrophobicContact CZ-CE1 4.34Å; F61-Y186 HydrophobicContact CZ-CE2 4.45Å; F61-Y186 AromaticContact CZ-CG 3.55Å; F61-Y186 HydrophobicContact CZ-CG 3.55Å; F61-F188 HydrophobicContact CE2-CZ 4.25Å; F61-F188 HydrophobicContact CZ-CZ 4.41Å; F61-A299 VanDerWaalsContact O-CA 3.3Å; F61-A299 WeakPolarHBondContact O-CA 3.37Å; F61-F300 HydrophobicContact CD1-CB 4.17Å; F61-F300 HydrophobicContact CE1-CB 3.69Å; F61-F300 AromaticContact CE1-CD2 3.66Å; F61-F300 HydrophobicContact CE1-CD2 3.66Å; F61-F300 AromaticContact CE1-CG 4Å; F61-F300 HydrophobicContact CE1-CG 4Å; F61-F300 HydrophobicContact CE2-CD2 4.08Å; F61-F300 HydrophobicContact CZ-CB 4.25Å; F61-F300 AromaticContact CZ-CD2 3.31Å; F61-F300 HydrophobicContact CZ-CD2 3.31Å; F61-F300 AromaticContact CZ-CE2 3.98Å; F61-F300 HydrophobicContact CZ-CE2 3.98Å; F61-F300 HydrophobicContact CZ-CG 4.13Å; F61-F300 PolarHBondContact N-O 3.04Å; F61-F300 VanDerWaalsContact N-O 3.12Å; F61-F300 PolarHBondContact O-N 2.93Å |
| 62 | W | 98.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.5 | 177.2 | 58 | 91.3 | 0 | 0 | 0 | 111.5 | I60 I94 Q95 A97 F298 A299 L348 F350 P376 | I60-W62 HydrophobicContact CG1-CE3 4.45Å; W62-I94 PolarHBondContact NE1-O 2.95Å; W62-Q95 PolarHBondContact NE1-O 3.14Å; W62-A97 WeakPolarHBondContact O-CB 3.36Å; W62-A97 PolarHBondContact O-N 3.06Å; W62-F298 CarbonylContact C-O 3.39Å; W62-F298 WeakPolarHBondContact CA-O 3.46Å; W62-F298 VanDerWaalsContact CB-O 3.23Å; W62-F298 WeakPolarHBondContact CB-O 3.39Å; W62-A299 HydrophobicContact CB-CB 3.93Å; W62-L348 HydrophobicContact CB-CD1 4.1Å; W62-L348 HydrophobicContact CD2-CD1 4.19Å; W62-L348 HydrophobicContact CE3-CD1 3.98Å; W62-L348 HydrophobicContact CE3-CD2 4.28Å; W62-L348 HydrophobicContact CG-CD1 4.26Å; W62-L348 HydrophobicContact CZ3-CD2 4.37Å; W62-F350 HydrophobicContact CD2-CZ 4.35Å; W62-F350 AromaticContact CE2-CZ 4Å; W62-F350 HydrophobicContact CG-CZ 4.43Å; W62-F350 HydrophobicContact CZ2-CE1 4.29Å; W62-F350 HydrophobicContact CZ2-CZ 4.5Å; W62-F350 AromaticContact NE1-CE1 3.88Å; W62-F350 AromaticContact NE1-CZ 3.8Å; W62-P376 HydrophobicContact CH2-CG 3.51Å; W62-P376 HydrophobicContact CZ2-CG 3.63Å; W62-P376 HydrophobicContact CZ3-CG 4.09Å |
| 63 | G | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 171.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L98 F298 | G63-L98 CarbonylContact C-O 3.5Å; G63-L98 WeakPolarHBondContact CA-O 3.3Å; G63-F298 VanDerWaalsContact C-CE1 3.45Å; G63-F298 PolarHBondContact N-O 3.01Å; G63-F298 WeakPolarHBondContact O-CD1 3.01Å; G63-F298 PolarHBondContact O-N 3.08Å |
| 64 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 156.1 | 174.3 | -59 | 179.6 | 0 | 0 | 0 | 111.3 | F86 I91 I94 P96 L98 V99 L100 Y295 R296 I297 | L64-F86 HydrophobicContact CD1-CE2 4.25Å; L64-F86 HydrophobicContact CD1-CZ 3.73Å; L64-I91 HydrophobicContact CD1-CD1 3.6Å; L64-I94 HydrophobicContact CD1-CD1 4.21Å; L64-I94 HydrophobicContact CD1-CG2 4.37Å; L64-I94 HydrophobicContact CD2-CD1 4.19Å; L64-I94 HydrophobicContact CD2-CG2 4.17Å; L64-I94 HydrophobicContact CG-CG2 4.43Å; L64-P96 HydrophobicContact CD1-CB 4.44Å; L64-P96 HydrophobicContact CD1-CG 3.95Å; L64-P96 HydrophobicContact CG-CB 3.96Å; L64-P96 HydrophobicContact CG-CG 4.01Å; L64-L98 PolarHBondContact N-O 3.16Å; L64-V99 HydrophobicContact CB-CG1 4.38Å; L64-V99 HydrophobicContact CB-CG2 4.25Å; L64-V99 CarbonylContact O-C 3.57Å; L64-V99 WeakPolarHBondContact O-CA 3.36Å; L64-L100 PolarHBondContact O-N 2.99Å; L64-Y295 HydrophobicContact CD2-CD2 4.18Å; L64-Y295 HydrophobicContact CD2-CE2 4.07Å; L64-R296 CarbonylContact C-O 3.59Å; L64-R296 WeakPolarHBondContact CA-O 3.47Å; L64-I297 HydrophobicContact CD2-CB 3.74Å; L64-I297 HydrophobicContact CD2-CD1 4.44Å; L64-I297 HydrophobicContact CD2-CG1 3.88Å |
| 65 | Q | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.7 | 166.8 | 178.6 | -162.4 | 0.5 | 0 | 0 | 109.3 | L100 T102 C260 V286 Y295 R296 | Q65-L100 CarbonylContact C-O 3.48Å; Q65-L100 VanDerWaalsContact CA-O 3.28Å; Q65-L100 WeakPolarHBondContact CA-O 3.3Å; Q65-L100 HydrophobicContact CB-CB 4.37Å; Q65-L100 HydrophobicContact CG-CB 4.35Å; Q65-T102 HydrophobicContact CG-CG2 4.07Å; Q65-T102 PolarHBondContact NE2-OG1 3.06Å; Q65-C260 PolarHBondContact NE2-O 3.25Å; Q65-C260 VanDerWaalsContact NE2-O 3.1Å; Q65-V286 HydrophobicContact CG-CG1 4.17Å; Q65-Y295 CarbonylContact O-C 3.55Å; Q65-Y295 WeakPolarHBondContact O-CA 3.35Å; Q65-Y295 WeakPolarHBondContact O-CB 3.39Å; Q65-R296 HydrophobicContact CB-CB 4.18Å; Q65-R296 PolarHBondContact N-O 3.01Å; Q65-R296 PolarHBondContact O-N 3.05Å |
| 66 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.5 | 171.3 | -174.5 | 172.7 | 0 | 0 | 0 | 108.3 | I69 L83 F86 V99 L100 A101 T102 W141 W289 | I66-I69 HydrophobicContact CD1-CD1 4.42Å; I66-I69 HydrophobicContact CD1-CG1 4.32Å; I66-I69 HydrophobicContact CG1-CG1 4.32Å; I66-L83 HydrophobicContact CD1-CD1 3.8Å; I66-F86 HydrophobicContact CD1-CE1 4.5Å; I66-V99 HydrophobicContact CG2-CG1 4.25Å; I66-L100 PolarHBondContact N-O 3.25Å; I66-A101 HydrophobicContact CG2-CB 4.02Å; I66-A101 CarbonylContact O-C 3.59Å; I66-A101 VanDerWaalsContact O-CA 3.28Å; I66-A101 WeakPolarHBondContact O-CA 3.22Å; I66-T102 PolarHBondContact O-N 2.7Å; I66-T102 PolarHBondContact O-OG1 3.33Å; I66-W141 HydrophobicContact CG2-CH2 4.39Å; I66-W141 HydrophobicContact CG2-CZ2 4.41Å; I66-W289 HydrophobicContact CD1-CB 4.26Å; I66-W289 HydrophobicContact CD1-CD2 3.56Å; I66-W289 HydrophobicContact CD1-CE3 3.33Å; I66-W289 HydrophobicContact CD1-CG 3.99Å; I66-W289 HydrophobicContact CD1-CZ3 3.87Å; I66-W289 HydrophobicContact CG1-CB 4.15Å; I66-W289 HydrophobicContact CG1-CD2 4.28Å; I66-W289 HydrophobicContact CG1-CE3 3.93Å; I66-W289 HydrophobicContact CG1-CG 4.41Å |
| 67 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -143.9 | 161.4 | -178.6 | -157.4 | 0 | 0 | 0 | 0 | 111.5 | I69 T102 G261 W289 | S67-I69 PolarHBondContact O-N 3.39Å; S67-T102 WeakPolarHBondContact CB-OG1 3.17Å; S67-T102 PolarHBondContact OG-O 3.03Å; S67-T102 PolarHBondContact OG-OG1 3.26Å; S67-G261 WeakPolarHBondContact OG-CA 3.45Å; S67-W289 VanDerWaalsContact O-CB 3.32Å; S67-W289 WeakPolarHBondContact O-CB 3.25Å; S67-W289 PolarHBondContact O-N 2.86Å | ||
| 68 | D | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 54.3 | 55.8 | 167.6 | -57.4 | -88.9 | 0 | 0 | 0 | 110.5 | H70 G103 H235 G261 H262 H264 D288 W289 K290 | D68-H70 VanDerWaalsContact C-CD2 3.45Å; D68-H70 PolarHBondContact O-CD2 3.35Å; D68-H70 IonicContact OD1-NE2 2.91Å; D68-G103 PolarHBondContact N-O 3.49Å; D68-H235 IonicContact OD1-CE1 2.7Å; D68-H235 PolarHBondContact OD1-CE1 3.24Å; D68-H235 VanDerWaalsContact OD1-CE1 3.26Å; D68-G261 VanDerWaalsContact OD2-CA 3.31Å; D68-G261 WeakPolarHBondContact OD2-CA 3.32Å; D68-H262 WeakPolarHBondContact OD1-CA 3.41Å; D68-H262 PolarHBondContact OD1-N 3.43Å; D68-H262 VanDerWaalsContact OD1-N 3.14Å; D68-H262 PolarHBondContact OD2-N 3.42Å; D68-H264 IonicContact OD1-CD2 3.77Å; D68-H264 IonicContact OD1-CE1 3.9Å; D68-H264 IonicContact OD1-NE2 2.78Å; D68-H264 PolarHBondContact OD1-NE2 3.38Å; D68-D288 HydrophobicContact CB-CB 3.64Å; D68-W289 PolarHBondContact O-N 3.23Å; D68-K290 VanDerWaalsContact O-CB 3.29Å; D68-K290 WeakPolarHBondContact O-CB 3.34Å; D68-K290 PolarHBondContact O-N 2.91Å | ||
| 69 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -69.9 | -42.3 | -176 | -56.8 | -179.7 | 0 | 0 | 0 | 110.6 | I66 S67 L71 L83 D104 L105 Y126 W289 | I66-I69 HydrophobicContact CD1-CD1 4.42Å; I66-I69 HydrophobicContact CD1-CG1 4.32Å; I66-I69 HydrophobicContact CG1-CG1 4.32Å; S67-I69 PolarHBondContact O-N 3.39Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 HydrophobicContact CG2-CD2 3.76Å; I69-L71 HydrophobicContact CG2-CG 3.74Å; I69-L71 PolarHBondContact O-N 3.41Å; I69-L83 HydrophobicContact CD1-CD1 4.42Å; I69-L83 HydrophobicContact CD1-CD2 4.39Å; I69-L83 HydrophobicContact CG2-CD2 3.79Å; I69-D104 PolarHBondContact N-O 3.18Å; I69-L105 HydrophobicContact CD1-CD2 3.88Å; I69-Y126 HydrophobicContact CD1-CE2 3.88Å; I69-W289 HydrophobicContact CG1-CB 4.49Å | ||
| 70 | H | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 43.8 | 53.8 | 179.9 | -66.1 | -87.4 | 0 | 0 | 0 | 113.4 | D68 S72 R79 D104 D107 H148 H264 K290 | D68-H70 VanDerWaalsContact C-CD2 3.45Å; D68-H70 PolarHBondContact O-CD2 3.35Å; D68-H70 IonicContact OD1-NE2 2.91Å; H70-S72 PolarHBondContact O-N 2.86Å; H70-S72 VanDerWaalsContact O-N 3.1Å; H70-R79 WeakPolarHBondContact O-CD 3.38Å; H70-R79 PolarHBondContact O-NH1 2.65Å; H70-D104 IonicContact CE1-OD2 3.53Å; H70-D104 PolarHBondContact CE1-OD2 2.72Å; H70-D104 PolarHBondContact N-O 3.13Å; H70-D104 IonicContact NE2-OD2 2.98Å; H70-D104 PolarHBondContact NE2-OD2 3.36Å; H70-D107 HydrophobicContact CB-CB 4.1Å; H70-D107 IonicContact ND1-OD1 3.4Å; H70-H148 AromaticContact CE1-CD2 3.62Å; H70-H148 AromaticContact CE1-CE1 3.28Å; H70-H148 PolarHBondContact CE1-CE1 2.75Å; H70-H148 AromaticContact CE1-CG 3.54Å; H70-H148 AromaticContact CE1-ND1 3.35Å; H70-H148 PolarHBondContact CE1-ND1 2.69Å; H70-H148 VanDerWaalsContact CE1-ND1 3.35Å; H70-H148 AromaticContact CE1-NE2 3.53Å; H70-H148 AromaticContact ND1-CE1 3.51Å; H70-H148 AromaticContact ND1-CG 3.84Å; H70-H148 AromaticContact ND1-ND1 3.31Å; H70-H148 PolarHBondContact ND1-ND1 3.18Å; H70-H264 AromaticContact CD2-CE1 3.54Å; H70-H264 AromaticContact NE2-CE1 3.11Å; H70-H264 PolarHBondContact NE2-CE1 3.46Å; H70-H264 AromaticContact NE2-NE2 3.33Å; H70-H264 PolarHBondContact NE2-NE2 3.05Å; H70-K290 HydrophobicContact CB-CB 3.99Å; H70-K290 HydrophobicContact CB-CD 3.88Å; H70-K290 HydrophobicContact CB-CG 3.8Å | ||
| 71 | L | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -57.1 | 121.3 | 168.2 | -64.3 | -171.5 | 0 | 0 | 0 | 108.3 | I69 R79 A80 L83 L105 D107 E122 T125 Y126 I129 | I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 HydrophobicContact CG2-CD2 3.76Å; I69-L71 HydrophobicContact CG2-CG 3.74Å; I69-L71 PolarHBondContact O-N 3.41Å; L71-R79 HydrophobicContact CD2-CB 4.1Å; L71-A80 HydrophobicContact CD2-CB 3.99Å; L71-L83 HydrophobicContact CD1-CD2 4.22Å; L71-L83 HydrophobicContact CD2-CD2 4.25Å; L71-L105 PolarHBondContact N-O 2.87Å; L71-D107 PolarHBondContact O-N 3.47Å; L71-E122 WeakPolarHBondContact O-CG 3.24Å; L71-T125 HydrophobicContact CD1-CG2 4.12Å; L71-Y126 HydrophobicContact CD1-CD2 4Å; L71-Y126 HydrophobicContact CD1-CG 4.4Å; L71-I129 HydrophobicContact CD1-CD1 4.31Å |
| 72 | S | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | trans | -122.1 | 134 | -170.3 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | H70 F74 R75 D107 E122 | H70-S72 PolarHBondContact O-N 2.86Å; H70-S72 VanDerWaalsContact O-N 3.1Å; S72-F74 PolarHBondContact O-N 2.86Å; S72-F74 PolarHBondContact OG-N 2.84Å; S72-R75 WeakPolarHBondContact CB-O 3.24Å; S72-R75 PolarHBondContact OG-N 3.32Å; S72-D107 PolarHBondContact OG-OD2 2.79Å; S72-E122 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 73 | R | 96.8 | Very high | 97.9 | Very high | 151 Ų | 151 | 34.7 Ų | 34.7 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -65.2 | -28.6 | 170.1 | 179.4 | -178.8 | 178.3 | 172 | 1.2 | 111.7 | V121 E122 | R73-V121 HydrophobicContact CB-CG1 3.91Å; R73-V121 HydrophobicContact CG-CG1 3.8Å; R73-E122 HydrophobicContact CB-CG 4.07Å; R73-E122 PolarHBondContact N-OE1 2.9Å |
| 74 | F | 97.1 | Very high | 97.9 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -113.4 | -15.9 | -165.3 | -56.8 | -61.1 | 0 | 0 | 0 | 114.3 | S72 K109 K111 H119 | S72-F74 PolarHBondContact O-N 2.86Å; S72-F74 PolarHBondContact OG-N 2.84Å; F74-K109 WeakPolarHBondContact CE2-O 3.27Å; F74-K111 HydrophobicContact CD1-CB 4.02Å; F74-K111 HydrophobicContact CD1-CG 4.26Å; F74-K111 HydrophobicContact CD2-CB 4.31Å; F74-K111 HydrophobicContact CE1-CB 4.18Å; F74-K111 HydrophobicContact CE2-CB 4.44Å; F74-K111 HydrophobicContact CG-CB 4.08Å; F74-K111 HydrophobicContact CG-CG 4.47Å; F74-K111 HydrophobicContact CZ-CB 4.38Å; F74-H119 AromaticContact CE2-CE1 3.56Å; F74-H119 AromaticContact CE2-NE2 3.57Å |
| 75 | R | 94.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 41.6 Ų | 41.6 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -133.1 | 146.3 | -171.7 | -61.4 | -64.8 | -177.9 | 168.7 | -1.7 | 110.2 | S72 K111 | S72-R75 WeakPolarHBondContact CB-O 3.24Å; S72-R75 PolarHBondContact OG-N 3.32Å; R75-K111 PolarHBondContact NH2-O 3.07Å |
| 76 | D | 95.1 | Very high | 97.9 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | trans | 32.4 | 81.2 | 171 | -175 | 16.5 | 0 | 0 | 0 | 114.8 | G78 R79 R293 | D76-G78 PolarHBondContact O-N 2.94Å; D76-G78 VanDerWaalsContact O-N 3.11Å; D76-G78 WeakPolarHBondContact OD1-CA 3.3Å; D76-G78 PolarHBondContact OD1-N 3.44Å; D76-R79 HydrophobicContact CB-CG 4.22Å; D76-R79 WeakPolarHBondContact O-CG 3.33Å; D76-R79 PolarHBondContact O-N 3.2Å; D76-R79 WeakPolarHBondContact OD2-CG 3.27Å; D76-R79 IonicContact OD2-NE 3.43Å; D76-R293 IonicContact OD1-NH2 3.65Å; D76-R293 IonicContact OD2-CZ 3.62Å; D76-R293 IonicContact OD2-NH1 3.84Å; D76-R293 IonicContact OD2-NH2 3.43Å; D76-R293 PolarHBondContact OD2-NH2 2.98Å | ||
| 77 | P | 95.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 68% | 0.675 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.4 | 174.3 | 28.5 | -35.1 | 0 | 0 | 0 | 112.5 | R79 A80 V81 | P77-R79 PolarHBondContact O-N 3.39Å; P77-A80 PolarHBondContact O-N 2.8Å; P77-V81 PolarHBondContact O-N 2.97Å |
| 78 | G | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -28.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D76 A80 V81 D82 | D76-G78 PolarHBondContact O-N 2.94Å; D76-G78 VanDerWaalsContact O-N 3.11Å; D76-G78 WeakPolarHBondContact OD1-CA 3.3Å; D76-G78 PolarHBondContact OD1-N 3.44Å; G78-A80 VanDerWaalsContact C-N 3.26Å; G78-A80 PolarHBondContact O-N 2.84Å; G78-V81 PolarHBondContact O-N 2.8Å; G78-D82 WeakPolarHBondContact O-CB 3.47Å; G78-D82 VanDerWaalsContact O-CG 3.25Å; G78-D82 PolarHBondContact O-N 2.95Å |
| 79 | R | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.9 | -42.4 | 176.3 | -64.3 | 173.9 | -172.7 | 163.5 | 5.5 | 112.4 | H70 L71 D76 P77 L83 W289 K290 D291 R293 | H70-R79 WeakPolarHBondContact O-CD 3.38Å; H70-R79 PolarHBondContact O-NH1 2.65Å; L71-R79 HydrophobicContact CD2-CB 4.1Å; D76-R79 HydrophobicContact CB-CG 4.22Å; D76-R79 WeakPolarHBondContact O-CG 3.33Å; D76-R79 PolarHBondContact O-N 3.2Å; D76-R79 WeakPolarHBondContact OD2-CG 3.27Å; D76-R79 IonicContact OD2-NE 3.43Å; P77-R79 PolarHBondContact O-N 3.39Å; R79-L83 VanDerWaalsContact O-CB 3.25Å; R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 PolarHBondContact O-N 3.3Å; R79-L83 VanDerWaalsContact O-N 3.1Å; R79-W289 PolarHBondContact O-NE1 2.9Å; R79-K290 VanDerWaalsContact CZ-CG 3.41Å; R79-K290 PolarHBondContact NE-O 3.39Å; R79-D291 IonicContact NH2-OD1 3.14Å; R79-D291 PolarHBondContact NH2-OD1 3.11Å; R79-R293 VanDerWaalsContact N-NH2 3.13Å |
| 80 | A | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.3 | -43.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L71 P77 G78 L83 E84 T125 I129 | L71-A80 HydrophobicContact CD2-CB 3.99Å; P77-A80 PolarHBondContact O-N 2.8Å; G78-A80 VanDerWaalsContact C-N 3.26Å; G78-A80 PolarHBondContact O-N 2.84Å; A80-L83 PolarHBondContact O-N 2.88Å; A80-E84 PolarHBondContact O-N 2.96Å; A80-T125 HydrophobicContact CB-CG2 3.88Å; A80-I129 HydrophobicContact CB-CD1 4.05Å; A80-I129 WeakPolarHBondContact O-CD1 3.32Å |
| 81 | V | 98.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 56% | 0.564 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.7 | -47.7 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | P77 G78 L83 E84 K85 | P77-V81 PolarHBondContact O-N 2.97Å; G78-V81 PolarHBondContact O-N 2.8Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3Å; V81-E84 WeakPolarHBondContact O-CB 3.37Å; V81-E84 PolarHBondContact O-N 3.43Å; V81-K85 PolarHBondContact O-N 3.12Å |
| 82 | D | 98.8 | Very high | 97.7 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -37 | 178.7 | -66.4 | -30.6 | 0 | 0 | 0 | 111 | G78 E84 K85 F86 W289 R293 F312 | G78-D82 WeakPolarHBondContact O-CB 3.47Å; G78-D82 VanDerWaalsContact O-CG 3.25Å; G78-D82 PolarHBondContact O-N 2.95Å; D82-E84 VanDerWaalsContact C-N 3.34Å; D82-K85 PolarHBondContact O-N 2.91Å; D82-F86 WeakPolarHBondContact O-CB 3.44Å; D82-F86 PolarHBondContact O-N 3.07Å; D82-W289 VanDerWaalsContact C-CZ2 3.45Å; D82-W289 HydrophobicContact CB-CH2 4.36Å; D82-W289 HydrophobicContact CB-CZ2 3.6Å; D82-R293 IonicContact OD2-CZ 3.73Å; D82-R293 IonicContact OD2-NE 3.72Å; D82-R293 PolarHBondContact OD2-NE 3.05Å; D82-R293 IonicContact OD2-NH2 3.76Å; D82-R293 PolarHBondContact OD2-NH2 2.92Å; D82-F312 HydrophobicContact CB-CD1 4.04Å; D82-F312 HydrophobicContact CB-CE1 3.7Å; D82-F312 WeakPolarHBondContact O-CZ 3.16Å |
| 83 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 178.3 | 179.8 | 67 | 0 | 0 | 0 | 110.7 | I66 I69 L71 R79 A80 V81 K85 F86 C87 Y126 I129 W289 | I66-L83 HydrophobicContact CD1-CD1 3.8Å; I69-L83 HydrophobicContact CD1-CD1 4.42Å; I69-L83 HydrophobicContact CD1-CD2 4.39Å; I69-L83 HydrophobicContact CG2-CD2 3.79Å; L71-L83 HydrophobicContact CD1-CD2 4.22Å; L71-L83 HydrophobicContact CD2-CD2 4.25Å; R79-L83 VanDerWaalsContact O-CB 3.25Å; R79-L83 WeakPolarHBondContact O-CB 3.45Å; R79-L83 PolarHBondContact O-N 3.3Å; R79-L83 VanDerWaalsContact O-N 3.1Å; A80-L83 PolarHBondContact O-N 2.88Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-F86 HydrophobicContact CD1-CD1 4.48Å; L83-F86 WeakPolarHBondContact O-CB 3.5Å; L83-F86 PolarHBondContact O-N 2.92Å; L83-C87 WeakPolarHBondContact O-CB 3.44Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 2.62Å; L83-Y126 HydrophobicContact CD2-CD2 4.19Å; L83-Y126 HydrophobicContact CD2-CE2 4.34Å; L83-I129 HydrophobicContact CB-CD1 4.39Å; L83-I129 HydrophobicContact CD2-CD1 4.09Å; L83-I129 HydrophobicContact CG-CD1 4.47Å; L83-I129 HydrophobicContact CG-CG2 4.28Å; L83-W289 HydrophobicContact CB-CZ2 4.21Å |
| 84 | E | 98.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 172.3 | -167.2 | -176.1 | 135.4 | 0 | 0 | 110.5 | A80 V81 D82 F86 C87 S88 I129 K132 T133 | A80-E84 PolarHBondContact O-N 2.96Å; V81-E84 WeakPolarHBondContact O-CB 3.37Å; V81-E84 PolarHBondContact O-N 3.43Å; D82-E84 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 2.95Å; E84-C87 CarbonylContact O-C 3.56Å; E84-C87 PolarHBondContact O-N 3.01Å; E84-C87 VanDerWaalsContact O-N 3.14Å; E84-S88 WeakPolarHBondContact O-CB 3.1Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 3.43Å; E84-I129 HydrophobicContact CB-CG1 4.25Å; E84-I129 HydrophobicContact CB-CG2 4.08Å; E84-I129 HydrophobicContact CG-CG2 4.36Å; E84-K132 WeakPolarHBondContact OE1-CE 3.44Å; E84-K132 IonicContact OE1-NZ 3.9Å; E84-K132 PolarHBondContact OE1-NZ 3.5Å; E84-K132 IonicContact OE2-NZ 3.1Å; E84-K132 PolarHBondContact OE2-NZ 2.84Å; E84-T133 HydrophobicContact CG-CG2 3.69Å |
| 85 | K | 98.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 48.4 Ų | 48.4 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 177.6 | -171.3 | 178.7 | -176.6 | 177.8 | 0 | 112.7 | V81 D82 L83 C87 S88 E89 F312 | V81-K85 PolarHBondContact O-N 3.12Å; D82-K85 PolarHBondContact O-N 2.91Å; L83-K85 VanDerWaalsContact C-N 3.34Å; K85-C87 VanDerWaalsContact C-N 3.33Å; K85-C87 PolarHBondContact O-N 2.8Å; K85-S88 WeakPolarHBondContact CA-OG 3.31Å; K85-S88 PolarHBondContact O-N 3.01Å; K85-S88 PolarHBondContact O-OG 2.87Å; K85-E89 WeakPolarHBondContact CE-OE1 3.29Å; K85-E89 WeakPolarHBondContact CE-OE2 3.28Å; K85-E89 HydrophobicContact CG-CB 4.43Å; K85-E89 HydrophobicContact CG-CG 4.15Å; K85-E89 WeakPolarHBondContact CG-OE1 3.49Å; K85-E89 IonicContact NZ-OE2 3.76Å; K85-E89 WeakPolarHBondContact O-CB 3.26Å; K85-E89 PolarHBondContact O-N 3.1Å; K85-F312 HydrophobicContact CB-CZ 3.86Å; K85-F312 HydrophobicContact CD-CE1 4.41Å; K85-F312 HydrophobicContact CD-CZ 3.94Å; K85-F312 HydrophobicContact CG-CZ 3.84Å |
| 86 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -58 | -47.8 | 171.8 | 177.2 | -95.8 | 0 | 0 | 0 | 110.9 | L64 I66 D82 L83 E84 S88 T90 I91 W141 W289 Y295 F312 | L64-F86 HydrophobicContact CD1-CE2 4.25Å; L64-F86 HydrophobicContact CD1-CZ 3.73Å; I66-F86 HydrophobicContact CD1-CE1 4.5Å; D82-F86 WeakPolarHBondContact O-CB 3.44Å; D82-F86 PolarHBondContact O-N 3.07Å; L83-F86 HydrophobicContact CD1-CD1 4.48Å; L83-F86 WeakPolarHBondContact O-CB 3.5Å; L83-F86 PolarHBondContact O-N 2.92Å; E84-F86 PolarHBondContact O-N 2.95Å; F86-S88 PolarHBondContact O-N 3.41Å; F86-T90 HydrophobicContact CD2-CG2 3.79Å; F86-T90 HydrophobicContact CE2-CG2 3.73Å; F86-T90 WeakPolarHBondContact O-CA 3.48Å; F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.27Å; F86-T90 PolarHBondContact O-N 2.75Å; F86-T90 VanDerWaalsContact O-N 3.15Å; F86-I91 HydrophobicContact CD1-CD1 4.49Å; F86-I91 HydrophobicContact CD1-CG1 4.38Å; F86-I91 HydrophobicContact CE1-CD1 3.84Å; F86-I91 HydrophobicContact CE1-CG1 4.2Å; F86-I91 HydrophobicContact CZ-CD1 4.11Å; F86-I91 WeakPolarHBondContact O-CG1 3.15Å; F86-I91 PolarHBondContact O-N 3.31Å; F86-W141 HydrophobicContact CE1-CH2 4.33Å; F86-W141 HydrophobicContact CE1-CZ3 4.38Å; F86-W289 HydrophobicContact CB-CH2 3.75Å; F86-W289 HydrophobicContact CB-CZ2 4.38Å; F86-W289 HydrophobicContact CB-CZ3 4.46Å; F86-W289 HydrophobicContact CD2-CH2 4.18Å; F86-W289 HydrophobicContact CD2-CZ3 4.11Å; F86-W289 HydrophobicContact CG-CH2 4.11Å; F86-W289 HydrophobicContact CG-CZ3 4.34Å; F86-Y295 HydrophobicContact CE2-CD1 4.27Å; F86-Y295 AromaticContact CE2-CD2 3.76Å; F86-Y295 HydrophobicContact CE2-CD2 3.76Å; F86-Y295 HydrophobicContact CE2-CE2 4.07Å; F86-Y295 AromaticContact CE2-CG 3.85Å; F86-Y295 HydrophobicContact CE2-CG 3.85Å; F86-Y295 HydrophobicContact CZ-CD2 4.25Å; F86-Y295 HydrophobicContact CZ-CG 4.49Å; F86-F312 HydrophobicContact CB-CD2 4.19Å; F86-F312 HydrophobicContact CB-CE2 3.76Å; F86-F312 HydrophobicContact CB-CZ 4.34Å; F86-F312 AromaticContact CD2-CD2 3.92Å; F86-F312 HydrophobicContact CD2-CD2 3.92Å; F86-F312 HydrophobicContact CD2-CE2 4.17Å; F86-F312 HydrophobicContact CG-CE2 4.49Å |
| 87 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -69.6 | -29.1 | 179.8 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | L83 E84 K85 T133 V135 | L83-C87 WeakPolarHBondContact O-CB 3.44Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 2.62Å; E84-C87 CarbonylContact O-C 3.56Å; E84-C87 PolarHBondContact O-N 3.01Å; E84-C87 VanDerWaalsContact O-N 3.14Å; K85-C87 VanDerWaalsContact C-N 3.33Å; K85-C87 PolarHBondContact O-N 2.8Å; C87-T133 HydrophobicContact CB-CG2 3.82Å; C87-T133 WeakPolarHBondContact CB-OG1 3.49Å; C87-V135 HydrophobicContact CB-CB 4.06Å; C87-V135 HydrophobicContact CB-CG2 4.04Å |
| 88 | S | 97.9 | Very high | 98.4 | Very high | 40 Ų | 40 | 36 Ų | 36 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -96.9 | -26.9 | -177.2 | 66.1 | 0 | 0 | 0 | 0 | 115.1 | E84 K85 F86 D92 | E84-S88 WeakPolarHBondContact O-CB 3.1Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 3.43Å; K85-S88 WeakPolarHBondContact CA-OG 3.31Å; K85-S88 PolarHBondContact O-N 3.01Å; K85-S88 PolarHBondContact O-OG 2.87Å; F86-S88 PolarHBondContact O-N 3.41Å; S88-D92 VanDerWaalsContact O-OD2 3.06Å |
| 89 | E | 97.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 35.1 Ų | 35.1 | 36% | 0.355 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -113.8 | -55 | -178.3 | -64.9 | 179.4 | -154.7 | 0 | 0 | 111.2 | K85 I91 D92 I93 | K85-E89 WeakPolarHBondContact CE-OE1 3.29Å; K85-E89 WeakPolarHBondContact CE-OE2 3.28Å; K85-E89 HydrophobicContact CG-CB 4.43Å; K85-E89 HydrophobicContact CG-CG 4.15Å; K85-E89 WeakPolarHBondContact CG-OE1 3.49Å; K85-E89 IonicContact NZ-OE2 3.76Å; K85-E89 WeakPolarHBondContact O-CB 3.26Å; K85-E89 PolarHBondContact O-N 3.1Å; E89-I91 PolarHBondContact O-N 3.33Å; E89-D92 PolarHBondContact O-N 3.37Å; E89-I93 VanDerWaalsContact O-CG1 3.31Å; E89-I93 WeakPolarHBondContact O-CG1 3.41Å; E89-I93 PolarHBondContact O-N 2.72Å |
| 90 | T | 98.3 | Very high | 98.5 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -64.8 | -44.1 | -175.7 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | F86 D92 I93 I94 Y295 F312 W315 | F86-T90 HydrophobicContact CD2-CG2 3.79Å; F86-T90 HydrophobicContact CE2-CG2 3.73Å; F86-T90 WeakPolarHBondContact O-CA 3.48Å; F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.27Å; F86-T90 PolarHBondContact O-N 2.75Å; F86-T90 VanDerWaalsContact O-N 3.15Å; T90-D92 VanDerWaalsContact C-N 3.34Å; T90-D92 PolarHBondContact O-N 2.94Å; T90-I93 PolarHBondContact O-N 3.08Å; T90-I94 HydrophobicContact CG2-CD1 3.57Å; T90-I94 HydrophobicContact CG2-CG1 4.23Å; T90-I94 WeakPolarHBondContact O-CB 3.34Å; T90-I94 WeakPolarHBondContact O-CG1 3.5Å; T90-I94 PolarHBondContact O-N 3.35Å; T90-Y295 HydrophobicContact CG2-CE2 4.45Å; T90-F312 WeakPolarHBondContact OG1-CE2 3.06Å; T90-W315 HydrophobicContact CG2-CH2 4.21Å; T90-W315 HydrophobicContact CG2-CZ2 4.31Å |
| 91 | I | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 176.1 | -62.6 | -59.3 | 0 | 0 | 0 | 111.8 | L64 F86 E89 I93 Q95 P96 V99 V135 K138 T139 | L64-I91 HydrophobicContact CD1-CD1 3.6Å; F86-I91 HydrophobicContact CD1-CD1 4.49Å; F86-I91 HydrophobicContact CD1-CG1 4.38Å; F86-I91 HydrophobicContact CE1-CD1 3.84Å; F86-I91 HydrophobicContact CE1-CG1 4.2Å; F86-I91 HydrophobicContact CZ-CD1 4.11Å; F86-I91 WeakPolarHBondContact O-CG1 3.15Å; F86-I91 PolarHBondContact O-N 3.31Å; E89-I91 PolarHBondContact O-N 3.33Å; I91-I93 VanDerWaalsContact C-N 3.3Å; I91-I93 PolarHBondContact O-N 2.74Å; I91-Q95 VanDerWaalsContact O-CA 3.31Å; I91-Q95 WeakPolarHBondContact O-CA 3.34Å; I91-Q95 PolarHBondContact O-N 3.01Å; I91-P96 HydrophobicContact CD1-CG 3.84Å; I91-P96 HydrophobicContact CG2-CG 4.5Å; I91-V99 HydrophobicContact CD1-CG2 3.67Å; I91-V135 HydrophobicContact CB-CG2 4.3Å; I91-V135 HydrophobicContact CG1-CG2 3.93Å; I91-V135 HydrophobicContact CG2-CG2 4Å; I91-K138 HydrophobicContact CG2-CB 4.31Å; I91-T139 HydrophobicContact CG2-CG2 3.94Å |
| 92 | D | 97.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 29 Ų | 29 | 36% | 0.358 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.3 | -31.7 | -177.8 | -71.5 | 18.7 | 0 | 0 | 0 | 112 | S88 E89 T90 Q95 K138 | S88-D92 VanDerWaalsContact O-OD2 3.06Å; E89-D92 PolarHBondContact O-N 3.37Å; T90-D92 VanDerWaalsContact C-N 3.34Å; T90-D92 PolarHBondContact O-N 2.94Å; D92-Q95 WeakPolarHBondContact O-CG 3.3Å; D92-Q95 PolarHBondContact O-NE2 3Å; D92-K138 WeakPolarHBondContact OD1-CD 3.45Å; D92-K138 VanDerWaalsContact OD1-CE 3.29Å; D92-K138 WeakPolarHBondContact OD1-CE 3.31Å; D92-K138 IonicContact OD1-NZ 3.17Å; D92-K138 PolarHBondContact OD1-NZ 2.88Å; D92-K138 IonicContact OD2-NZ 3.73Å; D92-K138 PolarHBondContact OD2-NZ 2.97Å |
| 93 | I | 98.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 28% | 0.282 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -83.6 | -45.3 | 178.1 | -67.7 | 168.5 | 0 | 0 | 0 | 111.5 | E89 T90 I91 W315 F350 L352 | E89-I93 VanDerWaalsContact O-CG1 3.31Å; E89-I93 WeakPolarHBondContact O-CG1 3.41Å; E89-I93 PolarHBondContact O-N 2.72Å; T90-I93 PolarHBondContact O-N 3.08Å; I91-I93 VanDerWaalsContact C-N 3.3Å; I91-I93 PolarHBondContact O-N 2.74Å; I93-W315 HydrophobicContact CB-CH2 4.11Å; I93-W315 HydrophobicContact CD1-CH2 4.31Å; I93-W315 HydrophobicContact CD1-CZ2 4.26Å; I93-W315 HydrophobicContact CG2-CH2 3.79Å; I93-W315 HydrophobicContact CG2-CZ3 3.91Å; I93-F350 HydrophobicContact CG2-CB 4.29Å; I93-L352 HydrophobicContact CD1-CB 4.5Å; I93-L352 HydrophobicContact CD1-CD2 3.17Å; I93-L352 HydrophobicContact CD1-CG 4.38Å |
| 94 | I | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76 | -33.9 | -177.7 | -64.8 | -179 | 0 | 0 | 0 | 111 | W62 L64 T90 P96 Y295 I297 W315 F350 | W62-I94 PolarHBondContact NE1-O 2.95Å; L64-I94 HydrophobicContact CD1-CD1 4.21Å; L64-I94 HydrophobicContact CD1-CG2 4.37Å; L64-I94 HydrophobicContact CD2-CD1 4.19Å; L64-I94 HydrophobicContact CD2-CG2 4.17Å; L64-I94 HydrophobicContact CG-CG2 4.43Å; T90-I94 HydrophobicContact CG2-CD1 3.57Å; T90-I94 HydrophobicContact CG2-CG1 4.23Å; T90-I94 WeakPolarHBondContact O-CB 3.34Å; T90-I94 WeakPolarHBondContact O-CG1 3.5Å; T90-I94 PolarHBondContact O-N 3.35Å; I94-P96 HydrophobicContact CG2-CB 4.38Å; I94-Y295 HydrophobicContact CD1-CE2 4.25Å; I94-I297 HydrophobicContact CG2-CD1 4.38Å; I94-W315 HydrophobicContact CD1-CH2 4.4Å; I94-W315 HydrophobicContact CG1-CH2 4.19Å; I94-W315 HydrophobicContact CG1-CZ3 4.43Å; I94-F350 HydrophobicContact CB-CD1 4.25Å; I94-F350 HydrophobicContact CB-CE1 4.3Å; I94-F350 HydrophobicContact CG1-CB 4.35Å; I94-F350 HydrophobicContact CG1-CD1 4.11Å; I94-F350 HydrophobicContact CG1-CG 4.15Å; I94-F350 HydrophobicContact CG2-CD1 4.36Å; I94-F350 HydrophobicContact CG2-CE1 3.96Å; I94-F350 HydrophobicContact CG2-CZ 4.13Å; I94-F350 WeakPolarHBondContact O-CE1 3.38Å |
| 95 | Q | 98.4 | Very high | 98.5 | Very high | 139 Ų | 139 | 24.2 Ų | 24.2 | 65% | 0.65 | 13% | 0.126 | S | C | * | . | trans | 50.1 | 53.5 | -177.4 | -55.9 | -176.6 | -15.4 | 0 | 0 | 113 | W62 I91 D92 | W62-Q95 PolarHBondContact NE1-O 3.14Å; I91-Q95 VanDerWaalsContact O-CA 3.31Å; I91-Q95 WeakPolarHBondContact O-CA 3.34Å; I91-Q95 PolarHBondContact O-N 3.01Å; D92-Q95 WeakPolarHBondContact O-CG 3.3Å; D92-Q95 PolarHBondContact O-NE2 3Å | ||
| 96 | P | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | trans | -68.8 | 146.4 | -178.5 | 31.1 | -35.2 | 0 | 0 | 0 | 111.7 | L64 I91 I94 L98 V99 T139 | L64-P96 HydrophobicContact CD1-CB 4.44Å; L64-P96 HydrophobicContact CD1-CG 3.95Å; L64-P96 HydrophobicContact CG-CB 3.96Å; L64-P96 HydrophobicContact CG-CG 4.01Å; I91-P96 HydrophobicContact CD1-CG 3.84Å; I91-P96 HydrophobicContact CG2-CG 4.5Å; I94-P96 HydrophobicContact CG2-CB 4.38Å; P96-L98 PolarHBondContact O-N 2.92Å; P96-V99 HydrophobicContact CG-CG2 3.9Å; P96-T139 VanDerWaalsContact O-CB 3.3Å; P96-T139 WeakPolarHBondContact O-CB 3.14Å; P96-T139 PolarHBondContact O-OG1 3.21Å | ||
| 97 | A | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 20.1 Ų | 20.1 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -63.4 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F61 W62 K140 | F61-A97 HydrophobicContact CD2-CB 4.08Å; W62-A97 WeakPolarHBondContact O-CB 3.36Å; W62-A97 PolarHBondContact O-N 3.06Å; A97-K140 PolarHBondContact O-N 3Å |
| 98 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.6 | 175.2 | 63.2 | 129.1 | 0 | 0 | 0 | 112.4 | F61 G63 L64 P96 L100 T139 K140 L142 F188 F298 | F61-L98 HydrophobicContact CE2-CD2 4.18Å; G63-L98 CarbonylContact C-O 3.5Å; G63-L98 WeakPolarHBondContact CA-O 3.3Å; L64-L98 PolarHBondContact N-O 3.16Å; P96-L98 PolarHBondContact O-N 2.92Å; L98-L100 HydrophobicContact CD1-CD1 4.47Å; L98-L100 HydrophobicContact CD1-CD2 3.5Å; L98-L100 VanDerWaalsContact CD1-CD2 3.5Å; L98-L100 HydrophobicContact CD1-CG 3.85Å; L98-T139 WeakPolarHBondContact CA-OG1 3.48Å; L98-T139 PolarHBondContact N-OG1 3.19Å; L98-K140 CarbonylContact C-O 3.51Å; L98-K140 VanDerWaalsContact CA-O 3.24Å; L98-K140 WeakPolarHBondContact CA-O 3.11Å; L98-K140 HydrophobicContact CB-CB 3.97Å; L98-K140 WeakPolarHBondContact CB-O 3.19Å; L98-L142 HydrophobicContact CD1-CD1 4.48Å; L98-F188 HydrophobicContact CD1-CD1 3.91Å; L98-F188 HydrophobicContact CD1-CD2 4.47Å; L98-F188 HydrophobicContact CD1-CE1 3.65Å; L98-F188 HydrophobicContact CD1-CE2 4.26Å; L98-F188 HydrophobicContact CD1-CG 4.31Å; L98-F188 HydrophobicContact CD1-CZ 3.85Å; L98-F188 HydrophobicContact CD2-CE1 4.3Å; L98-F188 HydrophobicContact CD2-CE2 3.8Å; L98-F188 HydrophobicContact CD2-CZ 3.63Å; L98-F188 HydrophobicContact CG-CZ 4.36Å; L98-F298 HydrophobicContact CD1-CZ 4.12Å; L98-F298 HydrophobicContact CG-CZ 4.36Å |
| 99 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.7 | 171.8 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L64 I66 I91 P96 T139 K140 W141 L142 | L64-V99 HydrophobicContact CB-CG1 4.38Å; L64-V99 HydrophobicContact CB-CG2 4.25Å; L64-V99 CarbonylContact O-C 3.57Å; L64-V99 WeakPolarHBondContact O-CA 3.36Å; I66-V99 HydrophobicContact CG2-CG1 4.25Å; I91-V99 HydrophobicContact CD1-CG2 3.67Å; P96-V99 HydrophobicContact CG-CG2 3.9Å; V99-T139 HydrophobicContact CG2-CG2 3.66Å; V99-K140 PolarHBondContact N-O 2.85Å; V99-W141 HydrophobicContact CB-CD2 4.26Å; V99-W141 HydrophobicContact CB-CE3 3.71Å; V99-W141 HydrophobicContact CB-CZ3 4.01Å; V99-W141 HydrophobicContact CG1-CD2 4.3Å; V99-W141 HydrophobicContact CG1-CE3 3.8Å; V99-W141 HydrophobicContact CG1-CH2 3.99Å; V99-W141 HydrophobicContact CG1-CZ2 4.46Å; V99-W141 HydrophobicContact CG1-CZ3 3.64Å; V99-W141 HydrophobicContact CG2-CE3 4.06Å; V99-W141 HydrophobicContact CG2-CZ3 4.18Å; V99-L142 PolarHBondContact O-N 2.83Å |
| 100 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113 | 174.2 | -55.4 | 178.8 | 0 | 0 | 0 | 109.2 | L64 Q65 I66 L98 T102 L142 F188 I231 F233 L259 F298 | L64-L100 PolarHBondContact O-N 2.99Å; Q65-L100 CarbonylContact C-O 3.48Å; Q65-L100 VanDerWaalsContact CA-O 3.28Å; Q65-L100 WeakPolarHBondContact CA-O 3.3Å; Q65-L100 HydrophobicContact CB-CB 4.37Å; Q65-L100 HydrophobicContact CG-CB 4.35Å; I66-L100 PolarHBondContact N-O 3.25Å; L98-L100 HydrophobicContact CD1-CD1 4.47Å; L98-L100 HydrophobicContact CD1-CD2 3.5Å; L98-L100 VanDerWaalsContact CD1-CD2 3.5Å; L98-L100 HydrophobicContact CD1-CG 3.85Å; L100-T102 HydrophobicContact CB-CG2 4.43Å; L100-L142 WeakPolarHBondContact CA-O 3.47Å; L100-L142 HydrophobicContact CD2-CB 4.07Å; L100-L142 HydrophobicContact CD2-CD1 3.95Å; L100-F188 HydrophobicContact CD1-CD1 4.15Å; L100-F188 HydrophobicContact CD1-CE1 4.41Å; L100-F188 HydrophobicContact CD2-CD1 4.26Å; L100-I231 HydrophobicContact CD1-CG2 4.46Å; L100-F233 HydrophobicContact CD1-CB 4.19Å; L100-F233 HydrophobicContact CD1-CD1 4.43Å; L100-F233 HydrophobicContact CD1-CG 4.24Å; L100-F233 HydrophobicContact CD2-CD1 4.17Å; L100-F233 HydrophobicContact CD2-CD2 4.34Å; L100-F233 HydrophobicContact CD2-CE1 4.09Å; L100-F233 HydrophobicContact CD2-CE2 4.25Å; L100-F233 HydrophobicContact CD2-CG 4.29Å; L100-F233 HydrophobicContact CD2-CZ 4.11Å; L100-L259 HydrophobicContact CD1-CD1 3.76Å; L100-F298 HydrophobicContact CD1-CE1 4.22Å; L100-F298 HydrophobicContact CD1-CZ 4.32Å |
| 101 | A | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 97.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I66 G103 L105 W141 L142 D143 I144 | I66-A101 HydrophobicContact CG2-CB 4.02Å; I66-A101 CarbonylContact O-C 3.59Å; I66-A101 VanDerWaalsContact O-CA 3.28Å; I66-A101 WeakPolarHBondContact O-CA 3.22Å; A101-G103 PolarHBondContact O-N 3.11Å; A101-L105 HydrophobicContact CB-CD2 4.15Å; A101-W141 HydrophobicContact CB-CZ2 4.1Å; A101-L142 PolarHBondContact N-O 3.07Å; A101-D143 HydrophobicContact CB-CB 3.83Å; A101-D143 WeakPolarHBondContact O-CA 3.26Å; A101-I144 PolarHBondContact O-N 3.14Å |
| 102 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -84.8 | 40.3 | -166 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | Q65 I66 S67 L100 F233 G234 H235 | Q65-T102 HydrophobicContact CG-CG2 4.07Å; Q65-T102 PolarHBondContact NE2-OG1 3.06Å; I66-T102 PolarHBondContact O-N 2.7Å; I66-T102 PolarHBondContact O-OG1 3.33Å; S67-T102 WeakPolarHBondContact CB-OG1 3.17Å; S67-T102 PolarHBondContact OG-O 3.03Å; S67-T102 PolarHBondContact OG-OG1 3.26Å; L100-T102 HydrophobicContact CB-CG2 4.43Å; T102-F233 HydrophobicContact CG2-CB 4.1Å; T102-F233 HydrophobicContact CG2-CD2 4.08Å; T102-G234 WeakPolarHBondContact CB-O 3.27Å; T102-H235 WeakPolarHBondContact O-CA 3.36Å; T102-H235 WeakPolarHBondContact O-CB 3.42Å; T102-H235 PolarHBondContact O-ND1 3.17Å | ||
| 103 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 91.8 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | D68 A101 L105 I144 | D68-G103 PolarHBondContact N-O 3.49Å; A101-G103 PolarHBondContact O-N 3.11Å; G103-L105 VanDerWaalsContact C-N 3.31Å; G103-L105 PolarHBondContact O-N 3.09Å; G103-I144 WeakPolarHBondContact CA-O 3.48Å; G103-I144 PolarHBondContact N-O 3.36Å |
| 104 | D | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | 47.9 | 54.8 | -166.7 | -81.1 | 4.2 | 0 | 0 | 0 | 111.4 | I69 H70 T106 G146 N147 H148 D149 H235 | I69-D104 PolarHBondContact N-O 3.18Å; H70-D104 IonicContact CE1-OD2 3.53Å; H70-D104 PolarHBondContact CE1-OD2 2.72Å; H70-D104 PolarHBondContact N-O 3.13Å; H70-D104 IonicContact NE2-OD2 2.98Å; H70-D104 PolarHBondContact NE2-OD2 3.36Å; D104-T106 PolarHBondContact O-N 3.41Å; D104-G146 WeakPolarHBondContact OD1-CA 3.36Å; D104-N147 PolarHBondContact OD1-N 3.43Å; D104-N147 PolarHBondContact OD2-OD1 3.04Å; D104-H148 HydrophobicContact CB-CB 4.36Å; D104-H148 VanDerWaalsContact OD1-CB 3.28Å; D104-H148 WeakPolarHBondContact OD1-CB 3.31Å; D104-H148 IonicContact OD1-CD2 3.04Å; D104-H148 IonicContact OD1-CG 2.74Å; D104-H148 PolarHBondContact OD1-N 3.09Å; D104-H148 IonicContact OD2-CD2 3.05Å; D104-H148 PolarHBondContact OD2-CD2 3.35Å; D104-H148 IonicContact OD2-CG 3.05Å; D104-H148 IonicContact OD2-NE2 3.84Å; D104-D149 WeakPolarHBondContact CA-OD2 3.39Å; D104-D149 PolarHBondContact N-OD2 2.8Å; D104-D149 VanDerWaalsContact N-OD2 3.09Å; D104-H235 IonicContact OD1-CE1 2.74Å; D104-H235 IonicContact OD1-NE2 3.98Å; D104-H235 PolarHBondContact OD1-NE2 3.3Å; D104-H235 IonicContact OD2-CE1 3.34Å; D104-H235 PolarHBondContact OD2-CE1 2.84Å; D104-H235 IonicContact OD2-NE2 3.25Å; D104-H235 PolarHBondContact OD2-NE2 3.12Å | ||
| 105 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -65.1 | -34.9 | 179.3 | -52.8 | 179.7 | 0 | 0 | 0 | 110.6 | I69 L71 A101 G103 W123 Y126 D143 D149 Y163 | I69-L105 HydrophobicContact CD1-CD2 3.88Å; L71-L105 PolarHBondContact N-O 2.87Å; A101-L105 HydrophobicContact CB-CD2 4.15Å; G103-L105 VanDerWaalsContact C-N 3.31Å; G103-L105 PolarHBondContact O-N 3.09Å; L105-W123 HydrophobicContact CB-CZ3 4.5Å; L105-W123 HydrophobicContact CD1-CH2 4.38Å; L105-W123 HydrophobicContact CD1-CZ3 4.06Å; L105-Y126 HydrophobicContact CB-CE2 4.42Å; L105-Y126 HydrophobicContact CD1-CE1 3.95Å; L105-Y126 HydrophobicContact CD2-CE2 4.16Å; L105-D143 HydrophobicContact CD1-CB 4.09Å; L105-D143 HydrophobicContact CD2-CB 4.46Å; L105-D149 PolarHBondContact N-OD1 2.74Å; L105-D149 PolarHBondContact N-OD2 3.38Å; L105-Y163 HydrophobicContact CD1-CD2 4.26Å; L105-Y163 HydrophobicContact CD1-CE2 4.22Å | ||
| 106 | T | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -117.8 | 156.6 | 179.7 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | D104 E122 W123 H148 D149 | D104-T106 PolarHBondContact O-N 3.41Å; T106-E122 HydrophobicContact CG2-CB 3.81Å; T106-W123 HydrophobicContact CG2-CD2 3.59Å; T106-W123 HydrophobicContact CG2-CE3 4.1Å; T106-W123 HydrophobicContact CG2-CG 3.82Å; T106-W123 HydrophobicContact CG2-CH2 4.47Å; T106-W123 HydrophobicContact CG2-CZ2 4.03Å; T106-H148 VanDerWaalsContact O-CB 3.24Å; T106-H148 WeakPolarHBondContact O-CB 3.34Å; T106-D149 PolarHBondContact N-OD1 3.34Å; T106-D149 PolarHBondContact OG1-OD1 3.2Å |
| 107 | D | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | trans | -84 | -36.8 | 179.6 | -173.5 | 45.8 | 0 | 0 | 0 | 112.1 | H70 L71 S72 K109 E122 H148 | H70-D107 HydrophobicContact CB-CB 4.1Å; H70-D107 IonicContact ND1-OD1 3.4Å; L71-D107 PolarHBondContact O-N 3.47Å; S72-D107 PolarHBondContact OG-OD2 2.79Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-K109 IonicContact OD1-NZ 3.62Å; D107-E122 PolarHBondContact N-OE2 2.73Å; D107-H148 PolarHBondContact O-ND1 2.82Å; D107-H148 IonicContact OD1-ND1 3.89Å | ||
| 108 | A | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | 50.5 | 21 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S116 R117 E122 H148 F151 | A108-S116 CarbonylContact O-C 3.6Å; A108-S116 WeakPolarHBondContact O-CA 3.21Å; A108-S116 WeakPolarHBondContact O-CB 3.34Å; A108-R117 CarbonylContact C-O 3.59Å; A108-R117 VanDerWaalsContact CA-O 3.3Å; A108-R117 WeakPolarHBondContact CA-O 3.5Å; A108-R117 WeakPolarHBondContact CB-O 3.43Å; A108-R117 PolarHBondContact O-N 3.16Å; A108-E122 PolarHBondContact N-OE2 3.36Å; A108-H148 VanDerWaalsContact CB-O 3.27Å; A108-H148 WeakPolarHBondContact CB-O 3.41Å; A108-F151 HydrophobicContact CB-CB 4.41Å; A108-F151 HydrophobicContact CB-CD2 3.82Å | ||
| 109 | K | 96.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 12% | 0.122 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 153.4 | 174.8 | -76 | 176.9 | -178.4 | 147.9 | 0 | 110.6 | F74 D107 H119 H148 | F74-K109 WeakPolarHBondContact CE2-O 3.27Å; D107-K109 PolarHBondContact O-N 3.37Å; D107-K109 IonicContact OD1-NZ 3.62Å; K109-H119 PolarHBondContact O-NE2 3.38Å; K109-H148 VanDerWaalsContact CE-CE1 3.4Å; K109-H148 WeakPolarHBondContact CE-CE1 3.1Å |
| 110 | T | 95 | Very high | 96.4 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | trans | -71.3 | 166 | 169.3 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | E112 Q113 G115 | T110-E112 PolarHBondContact O-N 3.43Å; T110-E112 PolarHBondContact OG1-OE2 3.25Å; T110-Q113 WeakPolarHBondContact O-CA 3.23Å; T110-Q113 PolarHBondContact O-N 3.31Å; T110-Q113 PolarHBondContact O-NE2 2.96Å; T110-Q113 VanDerWaalsContact O-NE2 3.16Å; T110-G115 PolarHBondContact N-O 3.48Å; T110-G115 PolarHBondContact OG1-N 3.32Å | ||
| 111 | K | 94.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 31 Ų | 31 | 59% | 0.587 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -39.6 | -179.5 | -179.1 | -179.3 | 178.9 | -177.9 | 0 | 111.9 | F74 R75 Q113 | F74-K111 HydrophobicContact CD1-CB 4.02Å; F74-K111 HydrophobicContact CD1-CG 4.26Å; F74-K111 HydrophobicContact CD2-CB 4.31Å; F74-K111 HydrophobicContact CE1-CB 4.18Å; F74-K111 HydrophobicContact CE2-CB 4.44Å; F74-K111 HydrophobicContact CG-CB 4.08Å; F74-K111 HydrophobicContact CG-CG 4.47Å; F74-K111 HydrophobicContact CZ-CB 4.38Å; R75-K111 PolarHBondContact NH2-O 3.07Å; K111-Q113 PolarHBondContact O-N 3.1Å |
| 112 | E | 91.6 | Very high | 96.4 | Very high | 118 Ų | 118 | 31 Ų | 31 | 55% | 0.551 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.4 | 179.1 | -53.6 | 69 | -145 | 0 | 0 | 112.8 | T110 L114 | T110-E112 PolarHBondContact O-N 3.43Å; T110-E112 PolarHBondContact OG1-OE2 3.25Å; E112-L114 HydrophobicContact CB-CG 4.48Å; E112-L114 PolarHBondContact O-N 3.3Å |
| 113 | Q | 90.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 31 Ų | 31 | 22% | 0.224 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 64.9 | 13.9 | 178.6 | -55.9 | -75.3 | -59.5 | 0 | 0 | 114.9 | T110 K111 R201 | T110-Q113 WeakPolarHBondContact O-CA 3.23Å; T110-Q113 PolarHBondContact O-N 3.31Å; T110-Q113 PolarHBondContact O-NE2 2.96Å; T110-Q113 VanDerWaalsContact O-NE2 3.16Å; K111-Q113 PolarHBondContact O-N 3.1Å; Q113-R201 PolarHBondContact O-NH1 3.31Å |
| 114 | L | 91.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -93.7 | -47.5 | 177.2 | -59.1 | 179.6 | 0 | 0 | 0 | 111.7 | E112 R201 Y596 F597 A600 T601 | E112-L114 HydrophobicContact CB-CG 4.48Å; E112-L114 PolarHBondContact O-N 3.3Å; L114-R201 VanDerWaalsContact O-CD 3.22Å; L114-R201 WeakPolarHBondContact O-CD 3.49Å; L114-Y596 HydrophobicContact CD1-CD1 4.25Å; L114-Y596 HydrophobicContact CD1-CE1 3.49Å; L114-Y596 VanDerWaalsContact CD1-CE1 3.49Å; L114-F597 HydrophobicContact CD2-CD2 4Å; L114-F597 HydrophobicContact CD2-CE2 4.3Å; L114-A600 HydrophobicContact CB-CB 3.87Å; L114-A600 HydrophobicContact CD1-CB 3.72Å; L114-A600 HydrophobicContact CG-CB 4.46Å; L114-T601 PolarHBondContact O-OG1 3.44Å |
| 115 | G | 93.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -90.3 | 177.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T110 | T110-G115 PolarHBondContact N-O 3.48Å; T110-G115 PolarHBondContact OG1-N 3.32Å |
| 116 | S | 96.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -146 | 138.6 | 177 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | A108 F151 K200 R201 | A108-S116 CarbonylContact O-C 3.6Å; A108-S116 WeakPolarHBondContact O-CA 3.21Å; A108-S116 WeakPolarHBondContact O-CB 3.34Å; S116-F151 VanDerWaalsContact CB-CG 3.49Å; S116-F151 WeakPolarHBondContact OG-CD1 3.24Å; S116-K200 WeakPolarHBondContact OG-CA 3.49Å; S116-R201 PolarHBondContact OG-N 3.32Å |
| 117 | R | 95.6 | Very high | 96.4 | Very high | 118 Ų | 118 | 38.9 Ų | 38.9 | 45% | 0.445 | 19% | 0.186 | S | C | . | . | trans | -160.2 | 155.8 | 170.5 | 66.8 | -179.2 | -171.9 | -166.1 | -4.7 | 109.9 | A108 H119 N152 | A108-R117 CarbonylContact C-O 3.59Å; A108-R117 VanDerWaalsContact CA-O 3.3Å; A108-R117 WeakPolarHBondContact CA-O 3.5Å; A108-R117 WeakPolarHBondContact CB-O 3.43Å; A108-R117 PolarHBondContact O-N 3.16Å; R117-H119 PolarHBondContact NE-CE1 2.84Å; R117-H119 PolarHBondContact NE-ND1 2.68Å; R117-H119 PolarHBondContact O-CD2 3.13Å; R117-H119 PolarHBondContact O-N 2.73Å; R117-H119 PolarHBondContact O-NE2 3.47Å; R117-N152 HydrophobicContact CB-CB 4.48Å | ||
| 118 | Q | 97.3 | Very high | 96.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | trans | -65 | 131.4 | 170.8 | -63.2 | -51.6 | -52.7 | 0 | 0 | 111.4 | H148 F151 I153 Y162 | Q118-H148 PolarHBondContact NE2-O 3.28Å; Q118-F151 WeakPolarHBondContact CG-O 3.48Å; Q118-F151 PolarHBondContact NE2-O 3.05Å; Q118-I153 HydrophobicContact CG-CD1 3.92Å; Q118-I153 HydrophobicContact CG-CG1 3.86Å; Q118-Y162 HydrophobicContact CB-CD2 3.83Å; Q118-Y162 HydrophobicContact CB-CE2 3.87Å | ||
| 119 | H | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | trans | -114.4 | 114.2 | 170.6 | -53.2 | -79.1 | 0 | 0 | 0 | 109.2 | F74 K109 R117 V121 E122 | F74-H119 AromaticContact CE2-CE1 3.56Å; F74-H119 AromaticContact CE2-NE2 3.57Å; K109-H119 PolarHBondContact O-NE2 3.38Å; R117-H119 PolarHBondContact NE-CE1 2.84Å; R117-H119 PolarHBondContact NE-ND1 2.68Å; R117-H119 PolarHBondContact O-CD2 3.13Å; R117-H119 PolarHBondContact O-N 2.73Å; R117-H119 PolarHBondContact O-NE2 3.47Å; H119-V121 HydrophobicContact CB-CG1 4.4Å; H119-V121 PolarHBondContact O-N 2.91Å; H119-V121 VanDerWaalsContact O-N 3.15Å; H119-E122 HydrophobicContact CB-CG 4.16Å; H119-E122 IonicContact CD2-OE1 3.6Å; H119-E122 PolarHBondContact CD2-OE1 3.03Å; H119-E122 IonicContact CD2-OE2 3.83Å; H119-E122 WeakPolarHBondContact O-CB 3.27Å; H119-E122 PolarHBondContact O-N 3.47Å; H119-E122 VanDerWaalsContact O-N 3.07Å | ||
| 120 | E | 98.2 | Very high | 96.6 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.5 | -32 | -174.4 | -164.9 | 172.6 | -163.1 | 0 | 0 | 113 | E122 W123 Q124 Y162 K165 Y166 | E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 PolarHBondContact O-N 3.16Å; E120-W123 WeakPolarHBondContact O-CB 3.43Å; E120-W123 PolarHBondContact O-N 3.36Å; E120-W123 VanDerWaalsContact O-N 3.16Å; E120-Q124 HydrophobicContact CG-CG 4.29Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 2.91Å; E120-Y162 HydrophobicContact CB-CD2 4.2Å; E120-Y162 HydrophobicContact CB-CE1 4.31Å; E120-Y162 HydrophobicContact CB-CE2 3.61Å; E120-Y162 HydrophobicContact CG-CD1 4.3Å; E120-Y162 HydrophobicContact CG-CD2 4.42Å; E120-Y162 HydrophobicContact CG-CE1 3.97Å; E120-Y162 HydrophobicContact CG-CE2 4.1Å; E120-K165 IonicContact OE1-NZ 2.92Å; E120-K165 PolarHBondContact OE1-NZ 3.49Å; E120-Y166 HydrophobicContact CG-CE2 3.72Å; E120-Y166 PolarHBondContact OE1-OH 2.85Å |
| 121 | V | 98.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -30.8 | 178 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | R73 H119 T125 | R73-V121 HydrophobicContact CB-CG1 3.91Å; R73-V121 HydrophobicContact CG-CG1 3.8Å; H119-V121 HydrophobicContact CB-CG1 4.4Å; H119-V121 PolarHBondContact O-N 2.91Å; H119-V121 VanDerWaalsContact O-N 3.15Å; V121-T125 WeakPolarHBondContact O-CB 3.35Å; V121-T125 PolarHBondContact O-N 3.06Å; V121-T125 PolarHBondContact O-OG1 3.26Å |
| 122 | E | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 176.3 | -66.1 | 175 | 176.5 | 0 | 0 | 109.8 | L71 S72 R73 T106 D107 A108 H119 E120 T125 Y126 | L71-E122 WeakPolarHBondContact O-CG 3.24Å; S72-E122 WeakPolarHBondContact CA-OE1 3.43Å; R73-E122 HydrophobicContact CB-CG 4.07Å; R73-E122 PolarHBondContact N-OE1 2.9Å; T106-E122 HydrophobicContact CG2-CB 3.81Å; D107-E122 PolarHBondContact N-OE2 2.73Å; A108-E122 PolarHBondContact N-OE2 3.36Å; H119-E122 HydrophobicContact CB-CG 4.16Å; H119-E122 IonicContact CD2-OE1 3.6Å; H119-E122 PolarHBondContact CD2-OE1 3.03Å; H119-E122 IonicContact CD2-OE2 3.83Å; H119-E122 WeakPolarHBondContact O-CB 3.27Å; H119-E122 PolarHBondContact O-N 3.47Å; H119-E122 VanDerWaalsContact O-N 3.07Å; E120-E122 VanDerWaalsContact C-N 3.27Å; E120-E122 PolarHBondContact O-N 3.16Å; E122-T125 WeakPolarHBondContact O-CB 3.47Å; E122-T125 PolarHBondContact O-N 3.45Å; E122-Y126 PolarHBondContact O-N 3.5Å |
| 123 | W | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 174.9 | -70.2 | 97.4 | 0 | 0 | 0 | 113.4 | L105 T106 E120 T125 Y126 Q127 D149 Y162 Y163 Y166 | L105-W123 HydrophobicContact CB-CZ3 4.5Å; L105-W123 HydrophobicContact CD1-CH2 4.38Å; L105-W123 HydrophobicContact CD1-CZ3 4.06Å; T106-W123 HydrophobicContact CG2-CD2 3.59Å; T106-W123 HydrophobicContact CG2-CE3 4.1Å; T106-W123 HydrophobicContact CG2-CG 3.82Å; T106-W123 HydrophobicContact CG2-CH2 4.47Å; T106-W123 HydrophobicContact CG2-CZ2 4.03Å; E120-W123 WeakPolarHBondContact O-CB 3.43Å; E120-W123 PolarHBondContact O-N 3.36Å; E120-W123 VanDerWaalsContact O-N 3.16Å; W123-T125 VanDerWaalsContact C-N 3.31Å; W123-Y126 PolarHBondContact O-N 2.8Å; W123-Q127 PolarHBondContact O-N 2.76Å; W123-D149 HydrophobicContact CH2-CB 3.73Å; W123-D149 HydrophobicContact CZ2-CB 3.67Å; W123-Y162 VanDerWaalsContact CD1-CB 3.46Å; W123-Y162 AromaticContact CD1-CD2 3.53Å; W123-Y162 AromaticContact CD1-CG 3.94Å; W123-Y162 VanDerWaalsContact CG-CB 3.48Å; W123-Y162 HydrophobicContact CG-CD2 4.25Å; W123-Y162 HydrophobicContact CG-CG 4.25Å; W123-Y162 AromaticContact NE1-CD2 3.93Å; W123-Y163 AromaticContact CH2-CD2 3.92Å; W123-Y163 HydrophobicContact CH2-CD2 3.92Å; W123-Y163 HydrophobicContact CH2-CG 4.3Å; W123-Y163 AromaticContact CZ3-CD2 3.97Å; W123-Y163 HydrophobicContact CZ3-CD2 3.97Å; W123-Y166 HydrophobicContact CB-CD2 3.62Å; W123-Y166 HydrophobicContact CB-CE2 4.32Å; W123-Y166 HydrophobicContact CB-CG 3.77Å; W123-Y166 HydrophobicContact CG-CD2 4.39Å |
| 124 | Q | 98.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 173.4 | -71.7 | 172.7 | -8 | 0 | 0 | 111.1 | E120 G128 Y166 | E120-Q124 HydrophobicContact CG-CG 4.29Å; E120-Q124 WeakPolarHBondContact O-CG 3.22Å; E120-Q124 PolarHBondContact O-N 2.91Å; Q124-G128 WeakPolarHBondContact O-CA 3.27Å; Q124-G128 PolarHBondContact O-N 3.43Å; Q124-Y166 HydrophobicContact CG-CD1 4.48Å; Q124-Y166 HydrophobicContact CG-CE1 3.72Å |
| 125 | T | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 33% | 0.331 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 173.6 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | L71 A80 V121 E122 W123 Q127 G128 I129 | L71-T125 HydrophobicContact CD1-CG2 4.12Å; A80-T125 HydrophobicContact CB-CG2 3.88Å; V121-T125 WeakPolarHBondContact O-CB 3.35Å; V121-T125 PolarHBondContact O-N 3.06Å; V121-T125 PolarHBondContact O-OG1 3.26Å; E122-T125 WeakPolarHBondContact O-CB 3.47Å; E122-T125 PolarHBondContact O-N 3.45Å; W123-T125 VanDerWaalsContact C-N 3.31Å; T125-Q127 PolarHBondContact O-N 3.35Å; T125-G128 PolarHBondContact O-N 2.75Å; T125-I129 HydrophobicContact CG2-CD1 4.05Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 2.85Å |
| 126 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.4 | -56.2 | 177.3 | -174.8 | -108.7 | 0 | 0 | 0 | 111.8 | I69 L71 L83 L105 E122 W123 G128 I129 L130 W141 D143 | I69-Y126 HydrophobicContact CD1-CE2 3.88Å; L71-Y126 HydrophobicContact CD1-CD2 4Å; L71-Y126 HydrophobicContact CD1-CG 4.4Å; L83-Y126 HydrophobicContact CD2-CD2 4.19Å; L83-Y126 HydrophobicContact CD2-CE2 4.34Å; L105-Y126 HydrophobicContact CB-CE2 4.42Å; L105-Y126 HydrophobicContact CD1-CE1 3.95Å; L105-Y126 HydrophobicContact CD2-CE2 4.16Å; E122-Y126 PolarHBondContact O-N 3.5Å; W123-Y126 PolarHBondContact O-N 2.8Å; Y126-G128 VanDerWaalsContact C-N 3.3Å; Y126-G128 PolarHBondContact O-N 3.05Å; Y126-I129 PolarHBondContact O-N 2.74Å; Y126-L130 HydrophobicContact CD1-CD1 4.12Å; Y126-L130 HydrophobicContact CE1-CD1 3.57Å; Y126-L130 HydrophobicContact CE1-CG 4.35Å; Y126-L130 WeakPolarHBondContact O-CG 3.42Å; Y126-L130 PolarHBondContact O-N 2.89Å; Y126-W141 PolarHBondContact OH-NE1 2.93Å; Y126-D143 WeakPolarHBondContact CE1-OD2 3.24Å; Y126-D143 PolarHBondContact OH-OD2 3.46Å |
| 127 | Q | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 179.3 | -176.1 | 178 | 89.4 | 0 | 0 | 112.2 | W123 T125 I129 L130 K131 K165 Y166 | W123-Q127 PolarHBondContact O-N 2.76Å; T125-Q127 PolarHBondContact O-N 3.35Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.83Å; Q127-L130 PolarHBondContact O-N 3.36Å; Q127-K131 HydrophobicContact CG-CD 3.99Å; Q127-K131 HydrophobicContact CG-CG 4.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.46Å; Q127-K131 WeakPolarHBondContact O-CG 3.26Å; Q127-K131 PolarHBondContact O-N 3.16Å; Q127-K165 PolarHBondContact NE2-O 2.96Å; Q127-Y166 HydrophobicContact CB-CD1 3.96Å; Q127-Y166 WeakPolarHBondContact CB-O 3.2Å; Q127-Y166 HydrophobicContact CG-CD1 4.44Å; Q127-Y166 PolarHBondContact NE2-O 3.17Å |
| 128 | G | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q124 T125 Y126 K131 K132 | Q124-G128 WeakPolarHBondContact O-CA 3.27Å; Q124-G128 PolarHBondContact O-N 3.43Å; T125-G128 PolarHBondContact O-N 2.75Å; Y126-G128 VanDerWaalsContact C-N 3.3Å; Y126-G128 PolarHBondContact O-N 3.05Å; G128-K131 PolarHBondContact O-N 2.85Å; G128-K132 WeakPolarHBondContact O-CB 3.13Å; G128-K132 PolarHBondContact O-N 2.57Å |
| 129 | I | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -50.6 | 175.2 | -69.4 | 165.1 | 0 | 0 | 0 | 110.9 | L71 A80 L83 E84 T125 Y126 Q127 K131 K132 T133 | L71-I129 HydrophobicContact CD1-CD1 4.31Å; A80-I129 HydrophobicContact CB-CD1 4.05Å; A80-I129 WeakPolarHBondContact O-CD1 3.32Å; L83-I129 HydrophobicContact CB-CD1 4.39Å; L83-I129 HydrophobicContact CD2-CD1 4.09Å; L83-I129 HydrophobicContact CG-CD1 4.47Å; L83-I129 HydrophobicContact CG-CG2 4.28Å; E84-I129 HydrophobicContact CB-CG1 4.25Å; E84-I129 HydrophobicContact CB-CG2 4.08Å; E84-I129 HydrophobicContact CG-CG2 4.36Å; T125-I129 HydrophobicContact CG2-CD1 4.05Å; T125-I129 WeakPolarHBondContact O-CG1 3.46Å; T125-I129 PolarHBondContact O-N 2.85Å; Y126-I129 PolarHBondContact O-N 2.74Å; Q127-I129 VanDerWaalsContact C-N 3.32Å; Q127-I129 PolarHBondContact O-N 2.83Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.91Å; I129-K132 PolarHBondContact O-N 3Å; I129-T133 HydrophobicContact CG2-CG2 4.42Å; I129-T133 WeakPolarHBondContact O-CB 3.47Å; I129-T133 WeakPolarHBondContact O-CG2 3.41Å; I129-T133 PolarHBondContact O-N 2.97Å; I129-T133 PolarHBondContact O-OG1 2.85Å |
| 130 | L | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | -179.3 | -61.2 | -175.1 | 0 | 0 | 0 | 112.2 | Y126 Q127 R134 V135 M136 W141 A168 | Y126-L130 HydrophobicContact CD1-CD1 4.12Å; Y126-L130 HydrophobicContact CE1-CD1 3.57Å; Y126-L130 HydrophobicContact CE1-CG 4.35Å; Y126-L130 WeakPolarHBondContact O-CG 3.42Å; Y126-L130 PolarHBondContact O-N 2.89Å; Q127-L130 PolarHBondContact O-N 3.36Å; L130-R134 PolarHBondContact O-N 2.86Å; L130-V135 HydrophobicContact CB-CG1 4.16Å; L130-V135 HydrophobicContact CD2-CG1 3.51Å; L130-V135 HydrophobicContact CG-CG1 4.41Å; L130-V135 PolarHBondContact O-N 2.84Å; L130-M136 HydrophobicContact CB-CE 4.38Å; L130-M136 HydrophobicContact CD1-SD 4.38Å; L130-W141 HydrophobicContact CD2-CD2 4.15Å; L130-W141 HydrophobicContact CD2-CH2 4.4Å; L130-W141 HydrophobicContact CD2-CZ2 4Å; L130-A168 HydrophobicContact CD1-CB 4.11Å |
| 131 | K | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 52.9 Ų | 52.9 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.1 | -49.8 | 177.3 | -75.7 | 177.4 | 172.9 | 171.9 | 0 | 112.3 | Q127 G128 I129 T133 R134 | Q127-K131 HydrophobicContact CG-CD 3.99Å; Q127-K131 HydrophobicContact CG-CG 4.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.46Å; Q127-K131 WeakPolarHBondContact O-CG 3.26Å; Q127-K131 PolarHBondContact O-N 3.16Å; G128-K131 PolarHBondContact O-N 2.85Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.91Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 2.95Å; K131-R134 PolarHBondContact O-N 3.37Å; K131-R134 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 50.4 Ų | 50.4 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.7 | -40.8 | -176.7 | -178.1 | -177.5 | 177.4 | -167.6 | 0 | 111.7 | E84 G128 I129 R134 | E84-K132 WeakPolarHBondContact OE1-CE 3.44Å; E84-K132 IonicContact OE1-NZ 3.9Å; E84-K132 PolarHBondContact OE1-NZ 3.5Å; E84-K132 IonicContact OE2-NZ 3.1Å; E84-K132 PolarHBondContact OE2-NZ 2.84Å; G128-K132 WeakPolarHBondContact O-CB 3.13Å; G128-K132 PolarHBondContact O-N 2.57Å; I129-K132 PolarHBondContact O-N 3Å; K132-R134 VanDerWaalsContact C-N 3.33Å |
| 133 | T | 98.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.7 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | E84 C87 I129 K131 V135 K138 | E84-T133 HydrophobicContact CG-CG2 3.69Å; C87-T133 HydrophobicContact CB-CG2 3.82Å; C87-T133 WeakPolarHBondContact CB-OG1 3.49Å; I129-T133 HydrophobicContact CG2-CG2 4.42Å; I129-T133 WeakPolarHBondContact O-CB 3.47Å; I129-T133 WeakPolarHBondContact O-CG2 3.41Å; I129-T133 PolarHBondContact O-N 2.97Å; I129-T133 PolarHBondContact O-OG1 2.85Å; K131-T133 VanDerWaalsContact C-N 3.29Å; K131-T133 PolarHBondContact O-N 2.95Å; T133-V135 PolarHBondContact O-N 2.89Å; T133-V135 VanDerWaalsContact O-N 3.16Å; T133-K138 VanDerWaalsContact O-CE 3.31Å; T133-K138 WeakPolarHBondContact O-CE 3.29Å; T133-K138 PolarHBondContact O-NZ 3.46Å; T133-K138 VanDerWaalsContact O-NZ 3.13Å |
| 134 | R | 98.6 | Very high | 98.6 | Very high | 147 Ų | 147 | 50.3 Ų | 50.3 | 56% | 0.555 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.9 | -173.8 | -61.8 | 172.6 | 64.8 | -167.6 | -0.7 | 112.8 | L130 K131 K132 M136 E137 K138 | L130-R134 PolarHBondContact O-N 2.86Å; K131-R134 PolarHBondContact O-N 3.37Å; K131-R134 VanDerWaalsContact O-N 3.12Å; K132-R134 VanDerWaalsContact C-N 3.33Å; R134-M136 PolarHBondContact O-N 3.02Å; R134-M136 VanDerWaalsContact O-N 3.16Å; R134-E137 HydrophobicContact CB-CG 4.48Å; R134-E137 IonicContact CZ-OE2 3.82Å; R134-E137 IonicContact NE-OE1 3.25Å; R134-E137 PolarHBondContact NE-OE1 2.81Å; R134-E137 VanDerWaalsContact NE-OE1 3.17Å; R134-E137 IonicContact NE-OE2 2.9Å; R134-E137 PolarHBondContact NE-OE2 2.83Å; R134-E137 IonicContact NH2-OE2 3.83Å; R134-E137 PolarHBondContact NH2-OE2 2.8Å; R134-E137 WeakPolarHBondContact O-CB 3.44Å; R134-E137 PolarHBondContact O-N 2.8Å; R134-K138 PolarHBondContact O-N 3.36Å |
| 135 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -32.7 | -171.6 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | C87 I91 L130 T133 E137 K138 T139 W141 | C87-V135 HydrophobicContact CB-CB 4.06Å; C87-V135 HydrophobicContact CB-CG2 4.04Å; I91-V135 HydrophobicContact CB-CG2 4.3Å; I91-V135 HydrophobicContact CG1-CG2 3.93Å; I91-V135 HydrophobicContact CG2-CG2 4Å; L130-V135 HydrophobicContact CB-CG1 4.16Å; L130-V135 HydrophobicContact CD2-CG1 3.51Å; L130-V135 HydrophobicContact CG-CG1 4.41Å; L130-V135 PolarHBondContact O-N 2.84Å; T133-V135 PolarHBondContact O-N 2.89Å; T133-V135 VanDerWaalsContact O-N 3.16Å; V135-E137 PolarHBondContact O-N 2.72Å; V135-K138 PolarHBondContact O-N 2.91Å; V135-T139 HydrophobicContact CG2-CG2 4.08Å; V135-T139 PolarHBondContact O-N 2.92Å; V135-W141 HydrophobicContact CG1-CE3 4.05Å; V135-W141 HydrophobicContact CG1-CZ3 4.42Å; V135-W141 HydrophobicContact CG2-CE3 3.87Å; V135-W141 HydrophobicContact CG2-CZ3 3.95Å |
| 136 | M | 98 | Very high | 98.5 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.8 | -16.1 | 178 | -61.1 | -175.6 | -65.6 | 0 | 0 | 113.7 | L130 R134 W141 A168 | L130-M136 HydrophobicContact CB-CE 4.38Å; L130-M136 HydrophobicContact CD1-SD 4.38Å; R134-M136 PolarHBondContact O-N 3.02Å; R134-M136 VanDerWaalsContact O-N 3.16Å; M136-W141 HydrophobicContact CG-CB 4.14Å; M136-A168 HydrophobicContact SD-CB 3.79Å |
| 137 | E | 97.8 | Very high | 98.4 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -88.1 | -20.9 | 172.4 | -58.3 | 172.5 | -141.9 | 0 | 0 | 111.5 | R134 V135 | R134-E137 HydrophobicContact CB-CG 4.48Å; R134-E137 IonicContact CZ-OE2 3.82Å; R134-E137 IonicContact NE-OE1 3.25Å; R134-E137 PolarHBondContact NE-OE1 2.81Å; R134-E137 VanDerWaalsContact NE-OE1 3.17Å; R134-E137 IonicContact NE-OE2 2.9Å; R134-E137 PolarHBondContact NE-OE2 2.83Å; R134-E137 IonicContact NH2-OE2 3.83Å; R134-E137 PolarHBondContact NH2-OE2 2.8Å; R134-E137 WeakPolarHBondContact O-CB 3.44Å; R134-E137 PolarHBondContact O-N 2.8Å; V135-E137 PolarHBondContact O-N 2.72Å |
| 138 | K | 98.2 | Very high | 98.4 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -91.3 | -31.5 | -177.4 | -59.8 | 174.3 | 174.6 | 179.9 | 0 | 112.7 | I91 D92 T133 R134 V135 | I91-K138 HydrophobicContact CG2-CB 4.31Å; D92-K138 WeakPolarHBondContact OD1-CD 3.45Å; D92-K138 VanDerWaalsContact OD1-CE 3.29Å; D92-K138 WeakPolarHBondContact OD1-CE 3.31Å; D92-K138 IonicContact OD1-NZ 3.17Å; D92-K138 PolarHBondContact OD1-NZ 2.88Å; D92-K138 IonicContact OD2-NZ 3.73Å; D92-K138 PolarHBondContact OD2-NZ 2.97Å; T133-K138 VanDerWaalsContact O-CE 3.31Å; T133-K138 WeakPolarHBondContact O-CE 3.29Å; T133-K138 PolarHBondContact O-NZ 3.46Å; T133-K138 VanDerWaalsContact O-NZ 3.13Å; R134-K138 PolarHBondContact O-N 3.36Å; V135-K138 PolarHBondContact O-N 2.91Å |
| 139 | T | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -152.3 | 157 | -177.7 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | I91 P96 L98 V99 V135 W141 | I91-T139 HydrophobicContact CG2-CG2 3.94Å; P96-T139 VanDerWaalsContact O-CB 3.3Å; P96-T139 WeakPolarHBondContact O-CB 3.14Å; P96-T139 PolarHBondContact O-OG1 3.21Å; L98-T139 WeakPolarHBondContact CA-OG1 3.48Å; L98-T139 PolarHBondContact N-OG1 3.19Å; V99-T139 HydrophobicContact CG2-CG2 3.66Å; V135-T139 HydrophobicContact CG2-CG2 4.08Å; V135-T139 PolarHBondContact O-N 2.92Å; T139-W141 PolarHBondContact O-N 3.49Å; T139-W141 VanDerWaalsContact O-N 3.08Å |
| 140 | K | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 101.2 | 173.7 | -174 | 67.4 | 176.7 | 179.2 | 0 | 110.1 | A97 L98 V99 L142 Y177 | A97-K140 PolarHBondContact O-N 3Å; L98-K140 CarbonylContact C-O 3.51Å; L98-K140 VanDerWaalsContact CA-O 3.24Å; L98-K140 WeakPolarHBondContact CA-O 3.11Å; L98-K140 HydrophobicContact CB-CB 3.97Å; L98-K140 WeakPolarHBondContact CB-O 3.19Å; V99-K140 PolarHBondContact N-O 2.85Å; K140-L142 HydrophobicContact CD-CD2 4.38Å; K140-L142 HydrophobicContact CG-CD2 4.05Å; K140-L142 HydrophobicContact CG-CG 4.09Å; K140-Y177 HydrophobicContact CD-CE2 4.27Å; K140-Y177 HydrophobicContact CG-CE1 4.18Å; K140-Y177 HydrophobicContact CG-CE2 4.09Å |
| 141 | W | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.038 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116.6 | 175.8 | -164.5 | -80.4 | 0 | 0 | 0 | 111.3 | I66 F86 V99 A101 Y126 L130 V135 M136 T139 A168 | I66-W141 HydrophobicContact CG2-CH2 4.39Å; I66-W141 HydrophobicContact CG2-CZ2 4.41Å; F86-W141 HydrophobicContact CE1-CH2 4.33Å; F86-W141 HydrophobicContact CE1-CZ3 4.38Å; V99-W141 HydrophobicContact CB-CD2 4.26Å; V99-W141 HydrophobicContact CB-CE3 3.71Å; V99-W141 HydrophobicContact CB-CZ3 4.01Å; V99-W141 HydrophobicContact CG1-CD2 4.3Å; V99-W141 HydrophobicContact CG1-CE3 3.8Å; V99-W141 HydrophobicContact CG1-CH2 3.99Å; V99-W141 HydrophobicContact CG1-CZ2 4.46Å; V99-W141 HydrophobicContact CG1-CZ3 3.64Å; V99-W141 HydrophobicContact CG2-CE3 4.06Å; V99-W141 HydrophobicContact CG2-CZ3 4.18Å; A101-W141 HydrophobicContact CB-CZ2 4.1Å; Y126-W141 PolarHBondContact OH-NE1 2.93Å; L130-W141 HydrophobicContact CD2-CD2 4.15Å; L130-W141 HydrophobicContact CD2-CH2 4.4Å; L130-W141 HydrophobicContact CD2-CZ2 4Å; V135-W141 HydrophobicContact CG1-CE3 4.05Å; V135-W141 HydrophobicContact CG1-CZ3 4.42Å; V135-W141 HydrophobicContact CG2-CE3 3.87Å; V135-W141 HydrophobicContact CG2-CZ3 3.95Å; M136-W141 HydrophobicContact CG-CB 4.14Å; T139-W141 PolarHBondContact O-N 3.49Å; T139-W141 VanDerWaalsContact O-N 3.08Å; W141-A168 HydrophobicContact CB-CB 4.44Å; W141-A168 HydrophobicContact CG-CB 4.29Å |
| 142 | L | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105.5 | 179.1 | -60.6 | 176 | 0 | 0 | 0 | 109.2 | L98 V99 L100 A101 K140 V169 F175 Y177 F233 | L98-L142 HydrophobicContact CD1-CD1 4.48Å; V99-L142 PolarHBondContact O-N 2.83Å; L100-L142 WeakPolarHBondContact CA-O 3.47Å; L100-L142 HydrophobicContact CD2-CB 4.07Å; L100-L142 HydrophobicContact CD2-CD1 3.95Å; A101-L142 PolarHBondContact N-O 3.07Å; K140-L142 HydrophobicContact CD-CD2 4.38Å; K140-L142 HydrophobicContact CG-CD2 4.05Å; K140-L142 HydrophobicContact CG-CG 4.09Å; L142-V169 HydrophobicContact CD2-CG2 4.38Å; L142-F175 HydrophobicContact CD2-CE2 4.21Å; L142-Y177 HydrophobicContact CD1-CD1 3.62Å; L142-Y177 HydrophobicContact CD1-CE1 4.27Å; L142-Y177 HydrophobicContact CD1-CG 3.88Å; L142-F233 HydrophobicContact CB-CZ 4.19Å |
| 143 | D | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 153 | 177.3 | 61.1 | 18 | 0 | 0 | 0 | 112.5 | A101 L105 Y126 Y163 S167 A168 V169 | A101-D143 HydrophobicContact CB-CB 3.83Å; A101-D143 WeakPolarHBondContact O-CA 3.26Å; L105-D143 HydrophobicContact CD1-CB 4.09Å; L105-D143 HydrophobicContact CD2-CB 4.46Å; Y126-D143 WeakPolarHBondContact CE1-OD2 3.24Å; Y126-D143 PolarHBondContact OH-OD2 3.46Å; D143-Y163 PolarHBondContact O-OH 3.01Å; D143-Y163 PolarHBondContact OD1-OH 2.64Å; D143-S167 VanDerWaalsContact OD2-CB 3.29Å; D143-S167 WeakPolarHBondContact OD2-CB 3.5Å; D143-A168 WeakPolarHBondContact OD2-CB 3.29Å; D143-A168 PolarHBondContact OD2-N 2.96Å; D143-V169 WeakPolarHBondContact O-CG2 3.34Å; D143-V169 WeakPolarHBondContact OD1-CB 3.45Å; D143-V169 WeakPolarHBondContact OD1-CG2 2.96Å; D143-V169 PolarHBondContact OD1-N 3.14Å |
| 144 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -133 | 161.7 | 170.5 | -169.1 | 55 | 0 | 0 | 0 | 109.5 | A101 G103 C190 D192 | A101-I144 PolarHBondContact O-N 3.14Å; G103-I144 WeakPolarHBondContact CA-O 3.48Å; G103-I144 PolarHBondContact N-O 3.36Å; I144-C190 VanDerWaalsContact CB-SG 3.54Å; I144-C190 VanDerWaalsContact CD1-SG 3.54Å; I144-C190 WeakPolarHBondContact CG1-SG 3.32Å; I144-D192 HydrophobicContact CD1-CB 4.02Å | ||
| 145 | K | 97.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | trans | -74.1 | 144.4 | 173.4 | -64.4 | 169.4 | -68.9 | 177.6 | 0 | 110.9 | D149 Y163 D172 D192 T194 | K145-D149 HydrophobicContact CB-CB 3.94Å; K145-D149 HydrophobicContact CG-CB 4.13Å; K145-Y163 HydrophobicContact CD-CD1 3.66Å; K145-Y163 HydrophobicContact CD-CD2 4.4Å; K145-Y163 HydrophobicContact CD-CE1 4.26Å; K145-Y163 HydrophobicContact CD-CG 3.74Å; K145-Y163 HydrophobicContact CG-CD1 3.58Å; K145-Y163 HydrophobicContact CG-CD2 3.47Å; K145-Y163 VanDerWaalsContact CG-CD2 3.47Å; K145-Y163 HydrophobicContact CG-CE1 3.97Å; K145-Y163 HydrophobicContact CG-CE2 3.91Å; K145-Y163 HydrophobicContact CG-CG 3.32Å; K145-D172 WeakPolarHBondContact CE-OD1 3.35Å; K145-D172 IonicContact NZ-OD1 3.71Å; K145-D172 PolarHBondContact NZ-OD1 3.36Å; K145-D192 WeakPolarHBondContact CE-OD2 3.46Å; K145-D192 IonicContact NZ-OD1 3.79Å; K145-D192 IonicContact NZ-OD2 3.77Å; K145-D192 PolarHBondContact NZ-OD2 3.12Å; K145-T194 HydrophobicContact CB-CG2 3.76Å; K145-T194 PolarHBondContact NZ-OG1 3.1Å | ||
| 146 | G | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -99.9 | -172.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D104 H148 D149 T194 H235 | D104-G146 WeakPolarHBondContact OD1-CA 3.36Å; G146-H148 VanDerWaalsContact C-N 3.26Å; G146-H148 PolarHBondContact O-N 2.89Å; G146-D149 PolarHBondContact N-OD2 3.07Å; G146-D149 PolarHBondContact O-N 2.66Å; G146-T194 WeakPolarHBondContact O-CG2 3.15Å; G146-H235 WeakPolarHBondContact CA-CD2 3.43Å | ||
| 147 | N | 97.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -66.1 | -31.4 | 179.1 | 57.5 | -70 | 0 | 0 | 0 | 112.1 | D104 D149 A150 F151 N204 H235 F236 H262 | D104-N147 PolarHBondContact OD1-N 3.43Å; D104-N147 PolarHBondContact OD2-OD1 3.04Å; N147-D149 VanDerWaalsContact C-N 3.33Å; N147-A150 PolarHBondContact O-N 2.89Å; N147-F151 PolarHBondContact O-N 3.45Å; N147-N204 VanDerWaalsContact CB-O 3.23Å; N147-N204 WeakPolarHBondContact CB-O 3.42Å; N147-N204 PolarHBondContact O-ND2 2.88Å; N147-H235 PolarHBondContact N-CD2 2.68Å; N147-H235 PolarHBondContact OD1-NE2 3.43Å; N147-F236 HydrophobicContact CB-CE1 3.91Å; N147-F236 HydrophobicContact CB-CZ 3.74Å; N147-H262 PolarHBondContact OD1-CE1 3.29Å; N147-H262 VanDerWaalsContact OD1-CE1 3.29Å; N147-H262 PolarHBondContact OD1-ND1 2.96Å |
| 148 | H | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 7% | 0.069 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -65.9 | -38.6 | 177.5 | -76.7 | -126.8 | 0 | 0 | 0 | 112.7 | H70 D104 T106 D107 A108 K109 Q118 G146 A150 F151 | H70-H148 AromaticContact CE1-CD2 3.62Å; H70-H148 AromaticContact CE1-CE1 3.28Å; H70-H148 PolarHBondContact CE1-CE1 2.75Å; H70-H148 AromaticContact CE1-CG 3.54Å; H70-H148 AromaticContact CE1-ND1 3.35Å; H70-H148 PolarHBondContact CE1-ND1 2.69Å; H70-H148 VanDerWaalsContact CE1-ND1 3.35Å; H70-H148 AromaticContact CE1-NE2 3.53Å; H70-H148 AromaticContact ND1-CE1 3.51Å; H70-H148 AromaticContact ND1-CG 3.84Å; H70-H148 AromaticContact ND1-ND1 3.31Å; H70-H148 PolarHBondContact ND1-ND1 3.18Å; D104-H148 HydrophobicContact CB-CB 4.36Å; D104-H148 VanDerWaalsContact OD1-CB 3.28Å; D104-H148 WeakPolarHBondContact OD1-CB 3.31Å; D104-H148 IonicContact OD1-CD2 3.04Å; D104-H148 IonicContact OD1-CG 2.74Å; D104-H148 PolarHBondContact OD1-N 3.09Å; D104-H148 IonicContact OD2-CD2 3.05Å; D104-H148 PolarHBondContact OD2-CD2 3.35Å; D104-H148 IonicContact OD2-CG 3.05Å; D104-H148 IonicContact OD2-NE2 3.84Å; T106-H148 VanDerWaalsContact O-CB 3.24Å; T106-H148 WeakPolarHBondContact O-CB 3.34Å; D107-H148 PolarHBondContact O-ND1 2.82Å; D107-H148 IonicContact OD1-ND1 3.89Å; A108-H148 VanDerWaalsContact CB-O 3.27Å; A108-H148 WeakPolarHBondContact CB-O 3.41Å; K109-H148 VanDerWaalsContact CE-CE1 3.4Å; K109-H148 WeakPolarHBondContact CE-CE1 3.1Å; Q118-H148 PolarHBondContact NE2-O 3.28Å; G146-H148 VanDerWaalsContact C-N 3.26Å; G146-H148 PolarHBondContact O-N 2.89Å; H148-A150 PolarHBondContact O-N 2.91Å; H148-A150 VanDerWaalsContact O-N 3.15Å; H148-F151 VanDerWaalsContact CA-CD2 3.45Å; H148-F151 HydrophobicContact CB-CD2 4.09Å; H148-F151 HydrophobicContact CB-CE2 3.89Å; H148-F151 AromaticContact CD2-CE2 3.65Å; H148-F151 AromaticContact CD2-CZ 3.95Å; H148-F151 AromaticContact CE1-CE2 3.87Å; H148-F151 AromaticContact CG-CE2 3.42Å; H148-F151 VanDerWaalsContact CG-CE2 3.42Å; H148-F151 AromaticContact ND1-CE2 3.56Å; H148-F151 AromaticContact NE2-CE2 3.88Å; H148-F151 WeakPolarHBondContact O-CD2 3.44Å; H148-F151 PolarHBondContact O-N 2.97Å |
| 149 | D | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -68.5 | -12.2 | 177.4 | -57.5 | -41.9 | 0 | 0 | 0 | 112.7 | D104 L105 T106 W123 K145 G146 N147 I153 | D104-D149 WeakPolarHBondContact CA-OD2 3.39Å; D104-D149 PolarHBondContact N-OD2 2.8Å; D104-D149 VanDerWaalsContact N-OD2 3.09Å; L105-D149 PolarHBondContact N-OD1 2.74Å; L105-D149 PolarHBondContact N-OD2 3.38Å; T106-D149 PolarHBondContact N-OD1 3.34Å; T106-D149 PolarHBondContact OG1-OD1 3.2Å; W123-D149 HydrophobicContact CH2-CB 3.73Å; W123-D149 HydrophobicContact CZ2-CB 3.67Å; K145-D149 HydrophobicContact CB-CB 3.94Å; K145-D149 HydrophobicContact CG-CB 4.13Å; G146-D149 PolarHBondContact N-OD2 3.07Å; G146-D149 PolarHBondContact O-N 2.66Å; N147-D149 VanDerWaalsContact C-N 3.33Å; D149-I153 WeakPolarHBondContact O-CD1 3.41Å |
| 150 | A | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -109.1 | 3.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N147 H148 N152 T194 G198 | N147-A150 PolarHBondContact O-N 2.89Å; H148-A150 PolarHBondContact O-N 2.91Å; H148-A150 VanDerWaalsContact O-N 3.15Å; A150-N152 PolarHBondContact O-N 3.24Å; A150-T194 HydrophobicContact CB-CG2 4.3Å; A150-G198 WeakPolarHBondContact O-CA 3.21Å |
| 151 | F | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 130.7 | 179.8 | -79.7 | -48.8 | 0 | 0 | 0 | 112.5 | A108 S116 Q118 N147 H148 I153 R201 N204 | A108-F151 HydrophobicContact CB-CB 4.41Å; A108-F151 HydrophobicContact CB-CD2 3.82Å; S116-F151 VanDerWaalsContact CB-CG 3.49Å; S116-F151 WeakPolarHBondContact OG-CD1 3.24Å; Q118-F151 WeakPolarHBondContact CG-O 3.48Å; Q118-F151 PolarHBondContact NE2-O 3.05Å; N147-F151 PolarHBondContact O-N 3.45Å; H148-F151 VanDerWaalsContact CA-CD2 3.45Å; H148-F151 HydrophobicContact CB-CD2 4.09Å; H148-F151 HydrophobicContact CB-CE2 3.89Å; H148-F151 AromaticContact CD2-CE2 3.65Å; H148-F151 AromaticContact CD2-CZ 3.95Å; H148-F151 AromaticContact CE1-CE2 3.87Å; H148-F151 AromaticContact CG-CE2 3.42Å; H148-F151 VanDerWaalsContact CG-CE2 3.42Å; H148-F151 AromaticContact ND1-CE2 3.56Å; H148-F151 AromaticContact NE2-CE2 3.88Å; H148-F151 WeakPolarHBondContact O-CD2 3.44Å; H148-F151 PolarHBondContact O-N 2.97Å; F151-I153 PolarHBondContact O-N 3.38Å; F151-R201 HydrophobicContact CD1-CB 4.13Å; F151-R201 HydrophobicContact CE1-CB 3.34Å; F151-R201 HydrophobicContact CZ-CB 3.74Å; F151-N204 WeakPolarHBondContact CD1-ND2 3.31Å; F151-N204 WeakPolarHBondContact CE1-ND2 3.34Å; F151-N204 WeakPolarHBondContact CE1-OD1 3.34Å |
| 152 | N | 96.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 42.6 | 168.6 | -165.3 | 28.9 | 0 | 0 | 0 | 113.4 | R117 A150 G198 P199 K200 I509 D510 | R117-N152 HydrophobicContact CB-CB 4.48Å; A150-N152 PolarHBondContact O-N 3.24Å; N152-G198 CarbonylContact C-O 3.53Å; N152-G198 VanDerWaalsContact CA-O 3.27Å; N152-G198 WeakPolarHBondContact CA-O 3.37Å; N152-G198 PolarHBondContact N-O 3.31Å; N152-P199 PolarHBondContact N-O 3.48Å; N152-K200 HydrophobicContact CB-CG 3.99Å; N152-K200 WeakPolarHBondContact OD1-CE 3.34Å; N152-I509 WeakPolarHBondContact OD1-CA 3.29Å; N152-D510 PolarHBondContact ND2-OD1 3.45Å; N152-D510 PolarHBondContact ND2-OD2 2.96Å; N152-D510 PolarHBondContact OD1-N 3.45Å |
| 153 | I | 96 | Very high | 96.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.046 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 116.5 | 179.6 | -57.1 | -173.7 | 0 | 0 | 0 | 109.3 | Q118 D149 F151 S155 N161 G198 | Q118-I153 HydrophobicContact CG-CD1 3.92Å; Q118-I153 HydrophobicContact CG-CG1 3.86Å; D149-I153 WeakPolarHBondContact O-CD1 3.41Å; F151-I153 PolarHBondContact O-N 3.38Å; I153-S155 WeakPolarHBondContact CG2-O 3.21Å; I153-S155 PolarHBondContact O-N 3.3Å; I153-N161 HydrophobicContact CG2-CB 4.39Å; I153-G198 PolarHBondContact N-O 2.99Å; I153-G198 PolarHBondContact O-N 3.02Å |
| 154 | P | 94.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -75.4 | -22.3 | -173.8 | 28.8 | -35.6 | 0 | 0 | 0 | 114.7 | P197 I509 K512 | P154-P197 VanDerWaalsContact O-CB 3.31Å; P154-P197 WeakPolarHBondContact O-CB 3.3Å; P154-I509 HydrophobicContact CB-CG2 4.01Å; P154-K512 HydrophobicContact CB-CG 4.48Å |
| 155 | S | 94.5 | Very high | 96.3 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | trans | -166.7 | 165.3 | 174 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | I153 D157 S158 N196 | I153-S155 WeakPolarHBondContact CG2-O 3.21Å; I153-S155 PolarHBondContact O-N 3.3Å; S155-D157 PolarHBondContact O-N 3.1Å; S155-S158 WeakPolarHBondContact O-CB 3.2Å; S155-S158 PolarHBondContact O-N 3.11Å; S155-S158 VanDerWaalsContact O-N 3.16Å; S155-S158 PolarHBondContact OG-N 3.28Å; S155-N196 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 156 | L | 94 | Very high | 96.3 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.5 | 173.8 | -59.9 | 178.8 | 0 | 0 | 0 | 113.3 | S158 N161 D172 N196 | L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.21Å; L156-N161 PolarHBondContact O-ND2 3.03Å; L156-D172 HydrophobicContact CD1-CB 4.22Å; L156-D172 HydrophobicContact CD2-CB 4.42Å; L156-N196 HydrophobicContact CD2-CB 4.38Å; L156-N196 HydrophobicContact CG-CB 4.43Å |
| 157 | D | 94.1 | Very high | 96.3 | Very high | 134 Ų | 134 | 40 Ų | 40 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.9 | 176.8 | -56.8 | -52.5 | 0 | 0 | 0 | 113.4 | S155 R164 | S155-D157 PolarHBondContact O-N 3.1Å; D157-R164 IonicContact OD1-NH1 2.79Å |
| 158 | S | 94.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -62.4 | 139.9 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | S155 L156 K160 N161 | S155-S158 WeakPolarHBondContact O-CB 3.2Å; S155-S158 PolarHBondContact O-N 3.11Å; S155-S158 VanDerWaalsContact O-N 3.16Å; S155-S158 PolarHBondContact OG-N 3.28Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.21Å; S158-K160 PolarHBondContact O-N 3.25Å; S158-K160 VanDerWaalsContact O-N 3.09Å; S158-K160 PolarHBondContact OG-N 2.81Å; S158-K160 VanDerWaalsContact OG-N 3.13Å; S158-N161 VanDerWaalsContact O-CB 3.26Å; S158-N161 WeakPolarHBondContact O-CB 3.44Å; S158-N161 PolarHBondContact O-N 3.36Å |
| 159 | V | 94.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 41.8 Ų | 41.8 | 80% | 0.8 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.1 | 169.2 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | N161 Y162 | V159-N161 VanDerWaalsContact C-N 3.31Å; V159-Y162 WeakPolarHBondContact O-CE1 3.32Å |
| 160 | K | 94.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.2 | 173.9 | -61 | -175.7 | 177.3 | 178.6 | 0 | 113.2 | S158 Y162 D510 | S158-K160 PolarHBondContact O-N 3.25Å; S158-K160 VanDerWaalsContact O-N 3.09Å; S158-K160 PolarHBondContact OG-N 2.81Å; S158-K160 VanDerWaalsContact OG-N 3.13Å; K160-Y162 PolarHBondContact O-N 3.43Å; K160-D510 IonicContact NZ-OD2 2.69Å; K160-D510 PolarHBondContact NZ-OD2 2.92Å |
| 161 | N | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | trans | -74.8 | 77.3 | 170.9 | -177 | 7 | 0 | 0 | 0 | 109.9 | I153 L156 S158 V159 Y163 R164 D172 | I153-N161 HydrophobicContact CG2-CB 4.39Å; L156-N161 PolarHBondContact O-ND2 3.03Å; S158-N161 VanDerWaalsContact O-CB 3.26Å; S158-N161 WeakPolarHBondContact O-CB 3.44Å; S158-N161 PolarHBondContact O-N 3.36Å; V159-N161 VanDerWaalsContact C-N 3.31Å; N161-Y163 VanDerWaalsContact C-N 3.28Å; N161-Y163 PolarHBondContact O-N 3.31Å; N161-R164 PolarHBondContact O-N 2.81Å; N161-D172 PolarHBondContact ND2-OD1 2.83Å; N161-D172 PolarHBondContact ND2-OD2 3.45Å | ||
| 162 | Y | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 14% | 0.137 | 27% | 0.27 | C | S | . | . | trans | -72.1 | -20.2 | -176.3 | -67.4 | -32.5 | 0 | 0 | 0 | 113.6 | Q118 E120 W123 V159 K160 R164 K165 Y166 | Q118-Y162 HydrophobicContact CB-CD2 3.83Å; Q118-Y162 HydrophobicContact CB-CE2 3.87Å; E120-Y162 HydrophobicContact CB-CD2 4.2Å; E120-Y162 HydrophobicContact CB-CE1 4.31Å; E120-Y162 HydrophobicContact CB-CE2 3.61Å; E120-Y162 HydrophobicContact CG-CD1 4.3Å; E120-Y162 HydrophobicContact CG-CD2 4.42Å; E120-Y162 HydrophobicContact CG-CE1 3.97Å; E120-Y162 HydrophobicContact CG-CE2 4.1Å; W123-Y162 VanDerWaalsContact CD1-CB 3.46Å; W123-Y162 AromaticContact CD1-CD2 3.53Å; W123-Y162 AromaticContact CD1-CG 3.94Å; W123-Y162 VanDerWaalsContact CG-CB 3.48Å; W123-Y162 HydrophobicContact CG-CD2 4.25Å; W123-Y162 HydrophobicContact CG-CG 4.25Å; W123-Y162 AromaticContact NE1-CD2 3.93Å; V159-Y162 WeakPolarHBondContact O-CE1 3.32Å; K160-Y162 PolarHBondContact O-N 3.43Å; Y162-R164 VanDerWaalsContact C-N 3.35Å; Y162-R164 PolarHBondContact O-N 3.36Å; Y162-K165 PolarHBondContact O-N 3.13Å; Y162-K165 VanDerWaalsContact O-N 3.07Å; Y162-Y166 HydrophobicContact CD1-CD2 4.35Å; Y162-Y166 HydrophobicContact CD1-CE2 4.06Å; Y162-Y166 HydrophobicContact CG-CD2 4.31Å; Y162-Y166 HydrophobicContact CG-CE2 4.35Å; Y162-Y166 WeakPolarHBondContact O-CB 3.49Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.23Å; Y162-Y166 PolarHBondContact O-N 3.34Å | ||
| 163 | Y | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 172.8 | 178.7 | -104.2 | 0 | 0 | 0 | 111.1 | L105 W123 D143 K145 N161 K165 Y166 S167 R171 | L105-Y163 HydrophobicContact CD1-CD2 4.26Å; L105-Y163 HydrophobicContact CD1-CE2 4.22Å; W123-Y163 AromaticContact CH2-CD2 3.92Å; W123-Y163 HydrophobicContact CH2-CD2 3.92Å; W123-Y163 HydrophobicContact CH2-CG 4.3Å; W123-Y163 AromaticContact CZ3-CD2 3.97Å; W123-Y163 HydrophobicContact CZ3-CD2 3.97Å; D143-Y163 PolarHBondContact O-OH 3.01Å; D143-Y163 PolarHBondContact OD1-OH 2.64Å; K145-Y163 HydrophobicContact CD-CD1 3.66Å; K145-Y163 HydrophobicContact CD-CD2 4.4Å; K145-Y163 HydrophobicContact CD-CE1 4.26Å; K145-Y163 HydrophobicContact CD-CG 3.74Å; K145-Y163 HydrophobicContact CG-CD1 3.58Å; K145-Y163 HydrophobicContact CG-CD2 3.47Å; K145-Y163 VanDerWaalsContact CG-CD2 3.47Å; K145-Y163 HydrophobicContact CG-CE1 3.97Å; K145-Y163 HydrophobicContact CG-CE2 3.91Å; K145-Y163 HydrophobicContact CG-CG 3.32Å; N161-Y163 VanDerWaalsContact C-N 3.28Å; N161-Y163 PolarHBondContact O-N 3.31Å; Y163-K165 PolarHBondContact O-N 2.91Å; Y163-K165 VanDerWaalsContact O-N 3.1Å; Y163-Y166 PolarHBondContact O-N 2.96Å; Y163-S167 WeakPolarHBondContact CD2-OG 3.27Å; Y163-S167 VanDerWaalsContact CE2-OG 3.26Å; Y163-S167 WeakPolarHBondContact CE2-OG 3.29Å; Y163-S167 VanDerWaalsContact O-CB 3.24Å; Y163-S167 WeakPolarHBondContact O-CB 3.38Å; Y163-S167 PolarHBondContact O-N 3.23Å; Y163-S167 PolarHBondContact O-OG 3.28Å; Y163-R171 WeakPolarHBondContact CE1-O 3.21Å |
| 164 | R | 96.1 | Very high | 96 | Very high | 135 Ų | 135 | 56.8 Ų | 56.8 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -23.9 | 177.5 | -168.5 | 170.7 | 179 | 174.5 | -1.3 | 114 | D157 N161 Y162 R170 | D157-R164 IonicContact OD1-NH1 2.79Å; N161-R164 PolarHBondContact O-N 2.81Å; Y162-R164 VanDerWaalsContact C-N 3.35Å; Y162-R164 PolarHBondContact O-N 3.36Å; R164-R170 WeakPolarHBondContact O-CB 3.41Å |
| 165 | K | 96.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 45% | 0.452 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -93.7 | -39.2 | -178.3 | -175.5 | 174.2 | 174.2 | -164.2 | 0 | 112.9 | E120 Q127 Y162 Y163 | E120-K165 IonicContact OE1-NZ 2.92Å; E120-K165 PolarHBondContact OE1-NZ 3.49Å; Q127-K165 PolarHBondContact NE2-O 2.96Å; Y162-K165 PolarHBondContact O-N 3.13Å; Y162-K165 VanDerWaalsContact O-N 3.07Å; Y163-K165 PolarHBondContact O-N 2.91Å; Y163-K165 VanDerWaalsContact O-N 3.1Å |
| 166 | Y | 98.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -113.1 | -27 | -164.3 | -70 | -72.6 | 0 | 0 | 0 | 115.2 | E120 W123 Q124 Q127 Y162 Y163 | E120-Y166 HydrophobicContact CG-CE2 3.72Å; E120-Y166 PolarHBondContact OE1-OH 2.85Å; W123-Y166 HydrophobicContact CB-CD2 3.62Å; W123-Y166 HydrophobicContact CB-CE2 4.32Å; W123-Y166 HydrophobicContact CB-CG 3.77Å; W123-Y166 HydrophobicContact CG-CD2 4.39Å; Q124-Y166 HydrophobicContact CG-CD1 4.48Å; Q124-Y166 HydrophobicContact CG-CE1 3.72Å; Q127-Y166 HydrophobicContact CB-CD1 3.96Å; Q127-Y166 WeakPolarHBondContact CB-O 3.2Å; Q127-Y166 HydrophobicContact CG-CD1 4.44Å; Q127-Y166 PolarHBondContact NE2-O 3.17Å; Y162-Y166 HydrophobicContact CD1-CD2 4.35Å; Y162-Y166 HydrophobicContact CD1-CE2 4.06Å; Y162-Y166 HydrophobicContact CG-CD2 4.31Å; Y162-Y166 HydrophobicContact CG-CE2 4.35Å; Y162-Y166 WeakPolarHBondContact O-CB 3.49Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.23Å; Y162-Y166 PolarHBondContact O-N 3.34Å; Y163-Y166 PolarHBondContact O-N 2.96Å |
| 167 | S | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -66.6 | 170.2 | -178.1 | 81.7 | 0 | 0 | 0 | 0 | 112.4 | D143 Y163 R170 | D143-S167 VanDerWaalsContact OD2-CB 3.29Å; D143-S167 WeakPolarHBondContact OD2-CB 3.5Å; Y163-S167 WeakPolarHBondContact CD2-OG 3.27Å; Y163-S167 VanDerWaalsContact CE2-OG 3.26Å; Y163-S167 WeakPolarHBondContact CE2-OG 3.29Å; Y163-S167 VanDerWaalsContact O-CB 3.24Å; Y163-S167 WeakPolarHBondContact O-CB 3.38Å; Y163-S167 PolarHBondContact O-N 3.23Å; Y163-S167 PolarHBondContact O-OG 3.28Å; S167-R170 WeakPolarHBondContact O-CG 3.29Å; S167-R170 PolarHBondContact O-NE 2.87Å; S167-R170 WeakPolarHBondContact OG-CA 3.29Å; S167-R170 PolarHBondContact OG-N 3.49Å |
| 168 | A | 97.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -71.8 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | L130 M136 W141 D143 | L130-A168 HydrophobicContact CD1-CB 4.11Å; M136-A168 HydrophobicContact SD-CB 3.79Å; W141-A168 HydrophobicContact CB-CB 4.44Å; W141-A168 HydrophobicContact CG-CB 4.29Å; D143-A168 WeakPolarHBondContact OD2-CB 3.29Å; D143-A168 PolarHBondContact OD2-N 2.96Å |
| 169 | V | 96.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 22% | 0.218 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -79.5 | -31.9 | -175.7 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | L142 D143 R171 F175 | L142-V169 HydrophobicContact CD2-CG2 4.38Å; D143-V169 WeakPolarHBondContact O-CG2 3.34Å; D143-V169 WeakPolarHBondContact OD1-CB 3.45Å; D143-V169 WeakPolarHBondContact OD1-CG2 2.96Å; D143-V169 PolarHBondContact OD1-N 3.14Å; V169-R171 HydrophobicContact CG1-CB 3.98Å; V169-R171 PolarHBondContact O-N 3.48Å; V169-F175 HydrophobicContact CG1-CD1 4.28Å; V169-F175 HydrophobicContact CG1-CE1 3.86Å; V169-F175 HydrophobicContact CG1-CZ 4.18Å; V169-F175 HydrophobicContact CG2-CE1 4.42Å; V169-F175 HydrophobicContact CG2-CZ 4.07Å |
| 170 | R | 95.3 | Very high | 97 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | trans | 52.2 | 25.9 | 177.2 | -56.8 | -169.8 | -178 | -176.1 | 4 | 115.3 | R164 S167 | R164-R170 WeakPolarHBondContact O-CB 3.41Å; S167-R170 WeakPolarHBondContact O-CG 3.29Å; S167-R170 PolarHBondContact O-NE 2.87Å; S167-R170 WeakPolarHBondContact OG-CA 3.29Å; S167-R170 PolarHBondContact OG-N 3.49Å | ||
| 171 | R | 94.2 | Very high | 97.1 | Very high | 150 Ų | 150 | 48.2 Ų | 48.2 | 57% | 0.566 | 23% | 0.232 | S | C | * | . | trans | -135.2 | 121.7 | -177 | 173.6 | -176 | 172.2 | 178.2 | -0.9 | 110 | Y163 V169 | Y163-R171 WeakPolarHBondContact CE1-O 3.21Å; V169-R171 HydrophobicContact CG1-CB 3.98Å; V169-R171 PolarHBondContact O-N 3.48Å | ||
| 172 | D | 95 | Very high | 97.1 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | -70.4 | 154.5 | 171.6 | -69.1 | -71.3 | 0 | 0 | 0 | 112.3 | K145 L156 N161 | K145-D172 WeakPolarHBondContact CE-OD1 3.35Å; K145-D172 IonicContact NZ-OD1 3.71Å; K145-D172 PolarHBondContact NZ-OD1 3.36Å; L156-D172 HydrophobicContact CD1-CB 4.22Å; L156-D172 HydrophobicContact CD2-CB 4.42Å; N161-D172 PolarHBondContact ND2-OD1 2.83Å; N161-D172 PolarHBondContact ND2-OD2 3.45Å | ||
| 173 | G | 96.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 88 | 169.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D192 | G173-D192 WeakPolarHBondContact CA-OD2 3.36Å; G173-D192 PolarHBondContact N-OD2 3.14Å |
| 174 | S | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | trans | -64.8 | 147 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | C190 D192 L217 | S174-C190 VanDerWaalsContact CA-O 3.27Å; S174-C190 WeakPolarHBondContact CA-O 3.33Å; S174-C190 WeakPolarHBondContact CB-O 3.4Å; S174-C190 PolarHBondContact OG-O 3.09Å; S174-D192 PolarHBondContact OG-N 2.93Å; S174-D192 VanDerWaalsContact OG-N 3.11Å; S174-L217 WeakPolarHBondContact OG-CD2 3.36Å | ||
| 175 | F | 97.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 166.3 | 179.1 | 66.5 | -95.3 | 0 | 0 | 0 | 111.4 | L142 V169 C190 F233 | L142-F175 HydrophobicContact CD2-CE2 4.21Å; V169-F175 HydrophobicContact CG1-CD1 4.28Å; V169-F175 HydrophobicContact CG1-CE1 3.86Å; V169-F175 HydrophobicContact CG1-CZ 4.18Å; V169-F175 HydrophobicContact CG2-CE1 4.42Å; V169-F175 HydrophobicContact CG2-CZ 4.07Å; F175-C190 HydrophobicContact CD1-CB 3.55Å; F175-C190 HydrophobicContact CD2-CB 4.04Å; F175-C190 HydrophobicContact CE1-CB 3.4Å; F175-C190 VanDerWaalsContact CE1-CB 3.4Å; F175-C190 WeakPolarHBondContact CE1-SG 3.32Å; F175-C190 HydrophobicContact CE2-CB 3.9Å; F175-C190 HydrophobicContact CG-CB 3.87Å; F175-C190 HydrophobicContact CZ-CB 3.6Å; F175-C190 PolarHBondContact N-O 3.48Å; F175-C190 PolarHBondContact O-N 2.97Å; F175-F233 AromaticContact CE2-CZ 3.98Å; F175-F233 HydrophobicContact CE2-CZ 3.98Å; F175-F233 HydrophobicContact CZ-CE2 4.36Å; F175-F233 AromaticContact CZ-CZ 3.71Å; F175-F233 HydrophobicContact CZ-CZ 3.71Å |
| 176 | H | 97.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.9 | 179.5 | 174.9 | -146.1 | 0 | 0 | 0 | 109.8 | V178 S187 L220 E223 | H176-V178 VanDerWaalsContact CE1-CG2 3.45Å; H176-V178 WeakPolarHBondContact CE1-CG2 3.32Å; H176-V178 WeakPolarHBondContact NE2-CG2 3.33Å; H176-S187 VanDerWaalsContact NE2-CB 3.34Å; H176-S187 WeakPolarHBondContact NE2-CB 3.25Å; H176-S187 PolarHBondContact NE2-OG 3.19Å; H176-L220 HydrophobicContact CB-CD2 3.94Å; H176-E223 IonicContact ND1-OE2 3.73Å |
| 177 | Y | 98.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.5 | 172.8 | 171.1 | -104.8 | 0 | 0 | 0 | 109.2 | K140 L142 H179 F188 | K140-Y177 HydrophobicContact CD-CE2 4.27Å; K140-Y177 HydrophobicContact CG-CE1 4.18Å; K140-Y177 HydrophobicContact CG-CE2 4.09Å; L142-Y177 HydrophobicContact CD1-CD1 3.62Å; L142-Y177 HydrophobicContact CD1-CE1 4.27Å; L142-Y177 HydrophobicContact CD1-CG 3.88Å; Y177-H179 HydrophobicContact CE1-CB 3.93Å; Y177-F188 HydrophobicContact CD1-CB 4.33Å; Y177-F188 AromaticContact CD1-CD2 3.91Å; Y177-F188 HydrophobicContact CD1-CD2 3.91Å; Y177-F188 HydrophobicContact CD1-CG 4.41Å; Y177-F188 HydrophobicContact CE1-CD2 4.39Å; Y177-F188 PolarHBondContact N-O 3.38Å; Y177-F188 PolarHBondContact O-N 2.97Å |
| 178 | V | 98.5 | Very high | 97 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.9 | 175.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | H176 N185 | H176-V178 VanDerWaalsContact CE1-CG2 3.45Å; H176-V178 WeakPolarHBondContact CE1-CG2 3.32Å; H176-V178 WeakPolarHBondContact NE2-CG2 3.33Å; V178-N185 HydrophobicContact CG1-CB 3.95Å |
| 179 | H | 98.4 | Very high | 97 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 108.1 | 167.4 | -175.7 | 56.9 | 0 | 0 | 0 | 108.7 | F61 Y177 Y186 F188 | F61-H179 AromaticContact CD2-CD2 3.83Å; F61-H179 AromaticContact CD2-NE2 3.98Å; F61-H179 AromaticContact CE2-CD2 3.83Å; Y177-H179 HydrophobicContact CE1-CB 3.93Å; H179-Y186 PolarHBondContact N-O 3.36Å; H179-Y186 PolarHBondContact O-N 3.14Å; H179-F188 HydrophobicContact CB-CD2 4.45Å; H179-F188 HydrophobicContact CB-CE2 3.91Å |
| 180 | S | 97.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 44 Ų | 44 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.8 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | N185 | S180-N185 VanDerWaalsContact CA-OD1 3.31Å; S180-N185 WeakPolarHBondContact CA-OD1 3Å; S180-N185 WeakPolarHBondContact CB-OD1 3.43Å; S180-N185 PolarHBondContact OG-OD1 3.15Å |
| 181 | T | 96.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 166.4 | 174.9 | 79.6 | 0 | 0 | 0 | 0 | 109.5 | F61 F183 G184 Y186 | F61-T181 HydrophobicContact CD1-CG2 4.3Å; T181-F183 HydrophobicContact CG2-CE1 4.29Å; T181-F183 HydrophobicContact CG2-CE2 4.06Å; T181-F183 HydrophobicContact CG2-CZ 3.82Å; T181-F183 PolarHBondContact O-N 3.49Å; T181-F183 VanDerWaalsContact O-N 3.07Å; T181-F183 WeakPolarHBondContact OG1-CD1 3.4Å; T181-F183 WeakPolarHBondContact OG1-CD2 3.42Å; T181-F183 WeakPolarHBondContact OG1-CE1 3.34Å; T181-F183 WeakPolarHBondContact OG1-CE2 3.15Å; T181-F183 WeakPolarHBondContact OG1-CG 3.43Å; T181-F183 WeakPolarHBondContact OG1-CZ 3.09Å; T181-F183 PolarHBondContact OG1-N 3.15Å; T181-G184 PolarHBondContact N-O 2.81Å; T181-G184 PolarHBondContact O-N 2.96Å; T181-G184 PolarHBondContact OG1-N 3.48Å; T181-G184 VanDerWaalsContact OG1-N 3.14Å; T181-G184 PolarHBondContact OG1-O 3.33Å; T181-G184 VanDerWaalsContact OG1-O 3.12Å; T181-Y186 HydrophobicContact CG2-CD2 4.19Å; T181-Y186 HydrophobicContact CG2-CE2 4.14Å |
| 182 | P | 95.6 | Very high | 97.4 | Very high | 138 Ų | 138 | 31.5 Ų | 31.5 | 90% | 0.896 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.2 | 173.5 | -25.3 | 35.8 | 0 | 0 | 0 | 114.7 | ||
| 183 | F | 93.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -0.3 | -173.8 | 50.8 | -95.3 | 0 | 0 | 0 | 113.9 | N59 F61 T181 Y186 | N59-F183 HydrophobicContact CB-CD2 4.38Å; N59-F183 HydrophobicContact CB-CG 4.23Å; N59-F183 WeakPolarHBondContact OD1-CB 3.36Å; F61-F183 HydrophobicContact CD1-CE2 4.22Å; F61-F183 HydrophobicContact CD1-CZ 4.22Å; T181-F183 HydrophobicContact CG2-CE1 4.29Å; T181-F183 HydrophobicContact CG2-CE2 4.06Å; T181-F183 HydrophobicContact CG2-CZ 3.82Å; T181-F183 PolarHBondContact O-N 3.49Å; T181-F183 VanDerWaalsContact O-N 3.07Å; T181-F183 WeakPolarHBondContact OG1-CD1 3.4Å; T181-F183 WeakPolarHBondContact OG1-CD2 3.42Å; T181-F183 WeakPolarHBondContact OG1-CE1 3.34Å; T181-F183 WeakPolarHBondContact OG1-CE2 3.15Å; T181-F183 WeakPolarHBondContact OG1-CG 3.43Å; T181-F183 WeakPolarHBondContact OG1-CZ 3.09Å; T181-F183 PolarHBondContact OG1-N 3.15Å; F183-Y186 HydrophobicContact CD2-CE2 4.12Å; F183-Y186 WeakPolarHBondContact CD2-OH 3.26Å; F183-Y186 AromaticContact CE2-CE2 3.79Å; F183-Y186 HydrophobicContact CE2-CE2 3.79Å; F183-Y186 AromaticContact CE2-CZ 3.99Å; F183-Y186 WeakPolarHBondContact CE2-OH 3.4Å |
| 184 | G | 95 | Very high | 97.6 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 175 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T181 N228 | T181-G184 PolarHBondContact N-O 2.81Å; T181-G184 PolarHBondContact O-N 2.96Å; T181-G184 PolarHBondContact OG1-N 3.48Å; T181-G184 VanDerWaalsContact OG1-N 3.14Å; T181-G184 PolarHBondContact OG1-O 3.33Å; T181-G184 VanDerWaalsContact OG1-O 3.12Å; G184-N228 WeakPolarHBondContact CA-OD1 3.38Å |
| 185 | N | 97.5 | Very high | 97.4 | Very high | 65 Ų | 65 | 29.2 Ų | 29.2 | 35% | 0.348 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | 173 | -73.5 | -45.3 | 0 | 0 | 0 | 109.6 | V178 S180 S227 N228 | V178-N185 HydrophobicContact CG1-CB 3.95Å; S180-N185 VanDerWaalsContact CA-OD1 3.31Å; S180-N185 WeakPolarHBondContact CA-OD1 3Å; S180-N185 WeakPolarHBondContact CB-OD1 3.43Å; S180-N185 PolarHBondContact OG-OD1 3.15Å; N185-S227 CarbonylContact O-C 3.54Å; N185-S227 WeakPolarHBondContact O-CA 3.38Å; N185-S227 VanDerWaalsContact O-CB 3.31Å; N185-S227 WeakPolarHBondContact O-CB 3.34Å; N185-N228 PolarHBondContact N-OD1 3.2Å; N185-N228 PolarHBondContact O-N 2.68Å; N185-N228 PolarHBondContact O-OD1 3.4Å |
| 186 | Y | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.3 | -179.6 | -59.7 | -98.6 | 0 | 0 | 0 | 109.1 | F61 H179 T181 F183 F188 N228 H229 F300 D303 | F61-Y186 HydrophobicContact CD1-CD2 4.28Å; F61-Y186 HydrophobicContact CD1-CE2 4.16Å; F61-Y186 AromaticContact CE1-CD1 3.57Å; F61-Y186 HydrophobicContact CE1-CD1 3.57Å; F61-Y186 AromaticContact CE1-CD2 3.39Å; F61-Y186 HydrophobicContact CE1-CD2 3.39Å; F61-Y186 AromaticContact CE1-CE1 3.7Å; F61-Y186 HydrophobicContact CE1-CE1 3.7Å; F61-Y186 AromaticContact CE1-CE2 3.52Å; F61-Y186 HydrophobicContact CE1-CE2 3.52Å; F61-Y186 AromaticContact CE1-CG 3.44Å; F61-Y186 HydrophobicContact CE1-CG 3.44Å; F61-Y186 VanDerWaalsContact CE1-CG 3.44Å; F61-Y186 AromaticContact CE1-CZ 3.69Å; F61-Y186 AromaticContact CZ-CD1 3.78Å; F61-Y186 HydrophobicContact CZ-CD1 3.78Å; F61-Y186 AromaticContact CZ-CD2 3.9Å; F61-Y186 HydrophobicContact CZ-CD2 3.9Å; F61-Y186 HydrophobicContact CZ-CE1 4.34Å; F61-Y186 HydrophobicContact CZ-CE2 4.45Å; F61-Y186 AromaticContact CZ-CG 3.55Å; F61-Y186 HydrophobicContact CZ-CG 3.55Å; H179-Y186 PolarHBondContact N-O 3.36Å; H179-Y186 PolarHBondContact O-N 3.14Å; T181-Y186 HydrophobicContact CG2-CD2 4.19Å; T181-Y186 HydrophobicContact CG2-CE2 4.14Å; F183-Y186 HydrophobicContact CD2-CE2 4.12Å; F183-Y186 WeakPolarHBondContact CD2-OH 3.26Å; F183-Y186 AromaticContact CE2-CE2 3.79Å; F183-Y186 HydrophobicContact CE2-CE2 3.79Å; F183-Y186 AromaticContact CE2-CZ 3.99Å; F183-Y186 WeakPolarHBondContact CE2-OH 3.4Å; Y186-F188 WeakPolarHBondContact O-CD2 3.33Å; Y186-N228 HydrophobicContact CE1-CB 4.16Å; Y186-H229 HydrophobicContact CD1-CB 4.09Å; Y186-H229 AromaticContact CE1-CD2 3.71Å; Y186-F300 HydrophobicContact CD1-CB 4.4Å; Y186-F300 HydrophobicContact CD1-CD1 4.09Å; Y186-F300 AromaticContact CD1-CD2 3.89Å; Y186-F300 HydrophobicContact CD1-CD2 3.89Å; Y186-F300 HydrophobicContact CD1-CE1 4.3Å; Y186-F300 HydrophobicContact CD1-CE2 4.08Å; Y186-F300 AromaticContact CD1-CG 3.86Å; Y186-F300 HydrophobicContact CD1-CG 3.86Å; Y186-F300 HydrophobicContact CD1-CZ 4.27Å; Y186-F300 HydrophobicContact CE1-CB 3.8Å; Y186-F300 AromaticContact CE1-CD1 3.8Å; Y186-F300 HydrophobicContact CE1-CD1 3.8Å; Y186-F300 HydrophobicContact CE1-CD2 4.14Å; Y186-F300 HydrophobicContact CE1-CE1 4.39Å; Y186-F300 AromaticContact CE1-CG 3.64Å; Y186-F300 HydrophobicContact CE1-CG 3.64Å; Y186-D303 PolarHBondContact OH-OD1 2.89Å |
| 187 | S | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.9 | -177.2 | -80.9 | 0 | 0 | 0 | 0 | 111.9 | H176 S224 S227 H229 T230 I231 | H176-S187 VanDerWaalsContact NE2-CB 3.34Å; H176-S187 WeakPolarHBondContact NE2-CB 3.25Å; H176-S187 PolarHBondContact NE2-OG 3.19Å; S187-S224 WeakPolarHBondContact OG-CB 3.28Å; S187-S227 WeakPolarHBondContact OG-CB 3.43Å; S187-S227 PolarHBondContact OG-OG 2.9Å; S187-H229 PolarHBondContact N-O 2.89Å; S187-T230 CarbonylContact O-C 3.54Å; S187-T230 WeakPolarHBondContact O-CA 3.23Å; S187-I231 PolarHBondContact O-N 2.83Å |
| 188 | F | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 108.1 | 174.1 | -63.5 | -92.4 | 0 | 0 | 0 | 108.5 | F61 L98 L100 Y177 H179 Y186 I231 F233 F298 | F61-F188 HydrophobicContact CE2-CZ 4.25Å; F61-F188 HydrophobicContact CZ-CZ 4.41Å; L98-F188 HydrophobicContact CD1-CD1 3.91Å; L98-F188 HydrophobicContact CD1-CD2 4.47Å; L98-F188 HydrophobicContact CD1-CE1 3.65Å; L98-F188 HydrophobicContact CD1-CE2 4.26Å; L98-F188 HydrophobicContact CD1-CG 4.31Å; L98-F188 HydrophobicContact CD1-CZ 3.85Å; L98-F188 HydrophobicContact CD2-CE1 4.3Å; L98-F188 HydrophobicContact CD2-CE2 3.8Å; L98-F188 HydrophobicContact CD2-CZ 3.63Å; L98-F188 HydrophobicContact CG-CZ 4.36Å; L100-F188 HydrophobicContact CD1-CD1 4.15Å; L100-F188 HydrophobicContact CD1-CE1 4.41Å; L100-F188 HydrophobicContact CD2-CD1 4.26Å; Y177-F188 HydrophobicContact CD1-CB 4.33Å; Y177-F188 AromaticContact CD1-CD2 3.91Å; Y177-F188 HydrophobicContact CD1-CD2 3.91Å; Y177-F188 HydrophobicContact CD1-CG 4.41Å; Y177-F188 HydrophobicContact CE1-CD2 4.39Å; Y177-F188 PolarHBondContact N-O 3.38Å; Y177-F188 PolarHBondContact O-N 2.97Å; H179-F188 HydrophobicContact CB-CD2 4.45Å; H179-F188 HydrophobicContact CB-CE2 3.91Å; Y186-F188 WeakPolarHBondContact O-CD2 3.33Å; F188-I231 CarbonylContact C-O 3.48Å; F188-I231 VanDerWaalsContact CA-O 3.28Å; F188-I231 WeakPolarHBondContact CA-O 3.24Å; F188-I231 HydrophobicContact CD1-CB 3.9Å; F188-I231 HydrophobicContact CD1-CG2 4.03Å; F188-I231 HydrophobicContact CE1-CB 4.04Å; F188-I231 HydrophobicContact CE1-CD1 3.84Å; F188-I231 HydrophobicContact CE1-CG1 4.42Å; F188-I231 HydrophobicContact CE1-CG2 4.31Å; F188-F233 HydrophobicContact CB-CD1 4.39Å; F188-F233 HydrophobicContact CB-CE1 4.04Å; F188-F298 HydrophobicContact CE1-CE2 4.09Å; F188-F298 HydrophobicContact CE1-CZ 4.02Å; F188-F298 HydrophobicContact CZ-CE2 4.29Å |
| 189 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.9 | 180 | -63.1 | 177.1 | 0 | 0 | 0 | 109 | L217 L220 T230 I231 W232 F233 | I189-L217 HydrophobicContact CG2-CD2 4.35Å; I189-L220 HydrophobicContact CD1-CB 4.12Å; I189-L220 WeakPolarHBondContact CD1-O 3.33Å; I189-L220 HydrophobicContact CG1-CB 4.48Å; I189-L220 HydrophobicContact CG2-CB 4.17Å; I189-L220 HydrophobicContact CG2-CD1 4.12Å; I189-T230 HydrophobicContact CD1-CG2 3.82Å; I189-T230 HydrophobicContact CG1-CG2 4.11Å; I189-I231 PolarHBondContact N-O 3.46Å; I189-W232 HydrophobicContact CB-CD2 4.07Å; I189-W232 HydrophobicContact CB-CG 4.26Å; I189-W232 HydrophobicContact CB-CZ2 4.46Å; I189-W232 HydrophobicContact CD1-CZ2 3.7Å; I189-W232 HydrophobicContact CG2-CD2 4.02Å; I189-W232 HydrophobicContact CG2-CE3 4.02Å; I189-W232 HydrophobicContact CG2-CH2 4.04Å; I189-W232 HydrophobicContact CG2-CZ2 4.09Å; I189-W232 HydrophobicContact CG2-CZ3 4.04Å; I189-W232 CarbonylContact O-C 3.57Å; I189-W232 VanDerWaalsContact O-CA 3.29Å; I189-W232 WeakPolarHBondContact O-CA 3.48Å; I189-F233 WeakPolarHBondContact O-CD1 3.45Å; I189-F233 PolarHBondContact O-N 2.87Å |
| 190 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | I144 S174 F175 F233 | I144-C190 VanDerWaalsContact CB-SG 3.54Å; I144-C190 VanDerWaalsContact CD1-SG 3.54Å; I144-C190 WeakPolarHBondContact CG1-SG 3.32Å; S174-C190 VanDerWaalsContact CA-O 3.27Å; S174-C190 WeakPolarHBondContact CA-O 3.33Å; S174-C190 WeakPolarHBondContact CB-O 3.4Å; S174-C190 PolarHBondContact OG-O 3.09Å; F175-C190 HydrophobicContact CD1-CB 3.55Å; F175-C190 HydrophobicContact CD2-CB 4.04Å; F175-C190 HydrophobicContact CE1-CB 3.4Å; F175-C190 VanDerWaalsContact CE1-CB 3.4Å; F175-C190 WeakPolarHBondContact CE1-SG 3.32Å; F175-C190 HydrophobicContact CE2-CB 3.9Å; F175-C190 HydrophobicContact CG-CB 3.87Å; F175-C190 HydrophobicContact CZ-CB 3.6Å; F175-C190 PolarHBondContact N-O 3.48Å; F175-C190 PolarHBondContact O-N 2.97Å; C190-F233 CarbonylContact C-O 3.54Å; C190-F233 VanDerWaalsContact CA-O 3.31Å; C190-F233 WeakPolarHBondContact CA-O 3.47Å; C190-F233 HydrophobicContact CB-CD1 4.4Å; C190-F233 HydrophobicContact CB-CE1 3.7Å; C190-F233 HydrophobicContact CB-CE2 3.88Å; C190-F233 HydrophobicContact CB-CZ 3.42Å; C190-F233 VanDerWaalsContact CB-CZ 3.42Å; C190-F233 VanDerWaalsContact SG-CE2 3.54Å |
| 191 | V | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 107.9 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | A193 L209 L217 W232 F233 Y258 | V191-A193 PolarHBondContact O-N 3.03Å; V191-L209 HydrophobicContact CG1-CD1 4.05Å; V191-L209 HydrophobicContact CG1-CD2 4.22Å; V191-L217 HydrophobicContact CG1-CD1 4.1Å; V191-L217 HydrophobicContact CG2-CD2 4.26Å; V191-W232 HydrophobicContact CG2-CE3 3.43Å; V191-W232 VanDerWaalsContact CG2-CE3 3.43Å; V191-W232 HydrophobicContact CG2-CZ3 3.86Å; V191-F233 PolarHBondContact N-O 3.4Å; V191-Y258 HydrophobicContact CG2-CE2 4.29Å |
| 192 | D | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | trans | -91.7 | 86 | 172.8 | -168.9 | -5.2 | 0 | 0 | 0 | 111.8 | I144 K145 G173 S174 T194 K213 | I144-D192 HydrophobicContact CD1-CB 4.02Å; K145-D192 WeakPolarHBondContact CE-OD2 3.46Å; K145-D192 IonicContact NZ-OD1 3.79Å; K145-D192 IonicContact NZ-OD2 3.77Å; K145-D192 PolarHBondContact NZ-OD2 3.12Å; G173-D192 WeakPolarHBondContact CA-OD2 3.36Å; G173-D192 PolarHBondContact N-OD2 3.14Å; S174-D192 PolarHBondContact OG-N 2.93Å; S174-D192 VanDerWaalsContact OG-N 3.11Å; D192-T194 VanDerWaalsContact C-N 3.28Å; D192-T194 PolarHBondContact O-N 3.36Å; D192-T194 VanDerWaalsContact OD1-CB 3.3Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.19Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.44Å; D192-K213 PolarHBondContact O-NZ 2.85Å; D192-K213 VanDerWaalsContact O-NZ 3.16Å | ||
| 193 | A | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | trans | -85.6 | 8.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V191 G207 I208 L209 F236 I241 | V191-A193 PolarHBondContact O-N 3.03Å; A193-G207 CarbonylContact O-C 3.59Å; A193-G207 WeakPolarHBondContact O-CA 3.33Å; A193-I208 PolarHBondContact O-N 2.88Å; A193-L209 HydrophobicContact CB-CD2 3.93Å; A193-L209 HydrophobicContact CB-CG 4.05Å; A193-F236 HydrophobicContact CB-CD2 3.77Å; A193-F236 HydrophobicContact CB-CE2 4.15Å; A193-I241 HydrophobicContact CB-CD1 4.15Å; A193-I241 HydrophobicContact CB-CG1 4.06Å; A193-I241 HydrophobicContact CB-CG2 4.32Å | ||
| 194 | T | 96.9 | Very high | 96 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | trans | -63.7 | 144 | 178.9 | 64 | 0 | 0 | 0 | 0 | 111.7 | K145 G146 A150 D192 K213 F236 | K145-T194 HydrophobicContact CB-CG2 3.76Å; K145-T194 PolarHBondContact NZ-OG1 3.1Å; G146-T194 WeakPolarHBondContact O-CG2 3.15Å; A150-T194 HydrophobicContact CB-CG2 4.3Å; D192-T194 VanDerWaalsContact C-N 3.28Å; D192-T194 PolarHBondContact O-N 3.36Å; D192-T194 VanDerWaalsContact OD1-CB 3.3Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.19Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.44Å; T194-K213 PolarHBondContact O-NZ 3.38Å; T194-F236 HydrophobicContact CG2-CE2 4.14Å | ||
| 195 | I | 94.3 | Very high | 96 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 7% | 0.067 | 9% | 0.085 | C | C | . | . | trans | -78.4 | 135.4 | -179.1 | -50.4 | -177.3 | 0 | 0 | 0 | 109.6 | P197 G198 N204 F206 I208 L528 | I195-P197 WeakPolarHBondContact CG2-O 3.17Å; I195-P197 CarbonylContact O-C 3.36Å; I195-G198 WeakPolarHBondContact O-CA 3.38Å; I195-G198 PolarHBondContact O-N 3.32Å; I195-N204 HydrophobicContact CD1-CB 4.24Å; I195-F206 WeakPolarHBondContact CD1-O 3.43Å; I195-I208 HydrophobicContact CD1-CD1 3.91Å; I195-I208 HydrophobicContact CD1-CG1 4.17Å; I195-I208 HydrophobicContact CG1-CB 4.47Å; I195-I208 HydrophobicContact CG1-CD1 4.13Å; I195-I208 HydrophobicContact CG1-CG1 4.07Å; I195-I208 HydrophobicContact CG2-CD1 4.46Å; I195-L528 HydrophobicContact CG2-CD1 4.14Å; I195-L528 HydrophobicContact CG2-CD2 3.51Å; I195-L528 HydrophobicContact CG2-CG 4.34Å | ||
| 196 | N | 92.8 | Very high | 96 | Very high | 66 Ų | 66 | 14.3 Ų | 14.3 | 35% | 0.353 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -128.8 | 121.5 | 171 | 177 | 40.6 | 0 | 0 | 0 | 109.6 | S155 L156 | S155-N196 WeakPolarHBondContact CA-OD1 3.41Å; L156-N196 HydrophobicContact CD2-CB 4.38Å; L156-N196 HydrophobicContact CG-CB 4.43Å |
| 197 | P | 95.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | S | Bend | cis | -69.2 | 150.3 | -2.1 | 34.2 | -39.8 | 0 | 0 | 0 | 112.4 | P154 I195 P199 I509 V523 H526 | P154-P197 VanDerWaalsContact O-CB 3.31Å; P154-P197 WeakPolarHBondContact O-CB 3.3Å; I195-P197 WeakPolarHBondContact CG2-O 3.17Å; I195-P197 CarbonylContact O-C 3.36Å; P197-P199 WeakPolarHBondContact O-CD 3.12Å; P197-I509 HydrophobicContact CB-CD1 3.61Å; P197-I509 HydrophobicContact CG-CD1 4.03Å; P197-V523 HydrophobicContact CG-CG1 4.17Å; P197-H526 HydrophobicContact CG-CB 4.23Å |
| 198 | G | 95.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -89.4 | 107.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A150 N152 I153 I195 | A150-G198 WeakPolarHBondContact O-CA 3.21Å; N152-G198 CarbonylContact C-O 3.53Å; N152-G198 VanDerWaalsContact CA-O 3.27Å; N152-G198 WeakPolarHBondContact CA-O 3.37Å; N152-G198 PolarHBondContact N-O 3.31Å; I153-G198 PolarHBondContact N-O 2.99Å; I153-G198 PolarHBondContact O-N 3.02Å; I195-G198 WeakPolarHBondContact O-CA 3.38Å; I195-G198 PolarHBondContact O-N 3.32Å |
| 199 | P | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 167.9 | -176.9 | 31.9 | -36.2 | 0 | 0 | 0 | 111.8 | N152 P197 N204 I508 L528 | N152-P199 PolarHBondContact N-O 3.48Å; P197-P199 WeakPolarHBondContact O-CD 3.12Å; P199-N204 HydrophobicContact CG-CB 3.97Å; P199-I508 HydrophobicContact CB-CG2 3.68Å; P199-L528 HydrophobicContact CB-CD1 4.21Å; P199-L528 HydrophobicContact CG-CD1 3.82Å |
| 200 | K | 95.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.057 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -62.9 | 157.5 | 163.4 | -64.9 | 171.2 | -171.3 | 169.8 | 0 | 110 | S116 N152 E507 I508 D510 T601 Y602 | S116-K200 WeakPolarHBondContact OG-CA 3.49Å; N152-K200 HydrophobicContact CB-CG 3.99Å; N152-K200 WeakPolarHBondContact OD1-CE 3.34Å; K200-E507 PolarHBondContact NZ-O 3.43Å; K200-E507 VanDerWaalsContact NZ-O 3.09Å; K200-E507 IonicContact NZ-OE2 3.97Å; K200-I508 WeakPolarHBondContact CG-O 3.37Å; K200-I508 PolarHBondContact N-O 3.35Å; K200-D510 WeakPolarHBondContact CE-OD1 3.29Å; K200-D510 IonicContact NZ-OD1 2.76Å; K200-D510 PolarHBondContact NZ-OD1 3.19Å; K200-T601 HydrophobicContact CB-CG2 4.34Å; K200-T601 VanDerWaalsContact CD-O 3.22Å; K200-T601 WeakPolarHBondContact CD-O 3.49Å; K200-Y602 HydrophobicContact CB-CE1 3.97Å; K200-Y602 HydrophobicContact CD-CD1 4.5Å; K200-Y602 PolarHBondContact O-OH 3.39Å |
| 201 | R | 93.5 | Very high | 95.2 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 20% | 0.2 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 157 | 174.7 | 70.8 | 179.3 | -70.9 | -164.4 | -6 | 111.9 | Q113 L114 S116 F151 T601 Y602 | Q113-R201 PolarHBondContact O-NH1 3.31Å; L114-R201 VanDerWaalsContact O-CD 3.22Å; L114-R201 WeakPolarHBondContact O-CD 3.49Å; S116-R201 PolarHBondContact OG-N 3.32Å; F151-R201 HydrophobicContact CD1-CB 4.13Å; F151-R201 HydrophobicContact CE1-CB 3.34Å; F151-R201 HydrophobicContact CZ-CB 3.74Å; R201-T601 HydrophobicContact CG-CG2 4.15Å; R201-T601 WeakPolarHBondContact O-CG2 3.39Å; R201-Y602 PolarHBondContact O-OH 2.88Å |
| 202 | P | 92.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 20% | 0.195 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 5.5 | -1.8 | 37.1 | -35.6 | 0 | 0 | 0 | 113.7 | N204 F205 I536 | P202-N204 PolarHBondContact O-N 2.88Å; P202-N204 VanDerWaalsContact O-N 3.16Å; P202-F205 WeakPolarHBondContact O-CB 3.41Å; P202-F205 PolarHBondContact O-N 2.88Å; P202-F205 VanDerWaalsContact O-N 3.16Å; P202-I536 HydrophobicContact CG-CD1 4Å |
| 203 | Y | 92.6 | Very high | 95 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 9% | 0.09 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3.3 | -164.3 | -59.3 | -67.3 | 0 | 0 | 0 | 115.9 | F504 I521 I532 T533 I536 Y602 | Y203-F504 AromaticContact CE2-CE1 3.96Å; Y203-F504 HydrophobicContact CE2-CE1 3.96Å; Y203-F504 AromaticContact CE2-CZ 3.84Å; Y203-F504 HydrophobicContact CE2-CZ 3.84Å; Y203-F504 WeakPolarHBondContact OH-CE1 3.41Å; Y203-I521 HydrophobicContact CD1-CD1 3.91Å; Y203-I521 HydrophobicContact CD2-CD1 3.47Å; Y203-I521 VanDerWaalsContact CD2-CD1 3.47Å; Y203-I521 HydrophobicContact CE2-CD1 4.26Å; Y203-I521 HydrophobicContact CG-CD1 3.31Å; Y203-I532 HydrophobicContact CD1-CG2 3.83Å; Y203-T533 HydrophobicContact CD1-CG2 3.68Å; Y203-T533 HydrophobicContact CE1-CG2 3.81Å; Y203-I536 HydrophobicContact CD1-CD1 4.17Å; Y203-I536 HydrophobicContact CE1-CD1 3.48Å; Y203-I536 VanDerWaalsContact CE1-CD1 3.48Å; Y203-Y602 HydrophobicContact CD2-CE2 4.44Å; Y203-Y602 AromaticContact CD2-CZ 3.79Å; Y203-Y602 WeakPolarHBondContact CD2-OH 3.24Å; Y203-Y602 AromaticContact CE2-CE2 3.93Å; Y203-Y602 HydrophobicContact CE2-CE2 3.93Å; Y203-Y602 AromaticContact CE2-CZ 3.7Å; Y203-Y602 VanDerWaalsContact CE2-OH 3.31Å; Y203-Y602 WeakPolarHBondContact CE2-OH 3.29Å |
| 204 | N | 92.2 | Very high | 95 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 12.2 | 171.3 | 69.8 | -25.4 | 0 | 0 | 0 | 113.5 | N147 F151 I195 P199 P202 F206 | N147-N204 VanDerWaalsContact CB-O 3.23Å; N147-N204 WeakPolarHBondContact CB-O 3.42Å; N147-N204 PolarHBondContact O-ND2 2.88Å; F151-N204 WeakPolarHBondContact CD1-ND2 3.31Å; F151-N204 WeakPolarHBondContact CE1-ND2 3.34Å; F151-N204 WeakPolarHBondContact CE1-OD1 3.34Å; I195-N204 HydrophobicContact CD1-CB 4.24Å; P199-N204 HydrophobicContact CG-CB 3.97Å; P202-N204 PolarHBondContact O-N 2.88Å; P202-N204 VanDerWaalsContact O-N 3.16Å; N204-F206 PolarHBondContact O-N 3.24Å |
| 205 | F | 95.4 | Very high | 95 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -61.1 | -31 | 178.6 | -175.3 | -96.2 | 0 | 0 | 0 | 112.5 | P202 F236 T240 H262 L263 I532 | P202-F205 WeakPolarHBondContact O-CB 3.41Å; P202-F205 PolarHBondContact O-N 2.88Å; P202-F205 VanDerWaalsContact O-N 3.16Å; F205-F236 WeakPolarHBondContact O-CE1 3.5Å; F205-T240 HydrophobicContact CE1-CG2 4.22Å; F205-H262 AromaticContact CD1-NE2 4Å; F205-H262 AromaticContact CD2-CE1 3.83Å; F205-H262 AromaticContact CD2-NE2 3.94Å; F205-H262 AromaticContact CE1-NE2 3.67Å; F205-H262 AromaticContact CE2-CE1 3.75Å; F205-H262 AromaticContact CE2-NE2 3.61Å; F205-H262 AromaticContact CZ-NE2 3.46Å; F205-H262 WeakPolarHBondContact CZ-NE2 3.49Å; F205-H262 PolarHBondContact O-CE1 2.81Å; F205-H262 PolarHBondContact O-NE2 2.84Å; F205-L263 HydrophobicContact CZ-CD2 4.16Å; F205-I532 HydrophobicContact CD1-CD1 4.24Å |
| 206 | F | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -97.8 | 139.6 | 173.5 | -74.1 | -106 | 0 | 0 | 0 | 110.7 | I195 N204 T240 L242 S531 I532 | I195-F206 WeakPolarHBondContact CD1-O 3.43Å; N204-F206 PolarHBondContact O-N 3.24Å; F206-T240 CarbonylContact C-O 3.5Å; F206-T240 VanDerWaalsContact CA-O 3.28Å; F206-T240 WeakPolarHBondContact CA-O 3.44Å; F206-T240 WeakPolarHBondContact CB-O 3.43Å; F206-T240 WeakPolarHBondContact CD1-O 3.23Å; F206-T240 HydrophobicContact CE1-CG2 4.24Å; F206-L242 HydrophobicContact CB-CD1 3.75Å; F206-L242 HydrophobicContact CD1-CD1 3.73Å; F206-L242 HydrophobicContact CG-CD1 4.04Å; F206-S531 WeakPolarHBondContact CB-OG 3.47Å; F206-I532 HydrophobicContact CD2-CB 3.96Å; F206-I532 HydrophobicContact CE2-CB 4.01Å; F206-I532 HydrophobicContact CE2-CD1 3.96Å |
| 207 | G | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 155.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A193 F236 T240 L242 | A193-G207 CarbonylContact O-C 3.59Å; A193-G207 WeakPolarHBondContact O-CA 3.33Å; G207-F236 VanDerWaalsContact N-CE1 3.31Å; G207-T240 PolarHBondContact N-O 2.81Å; G207-L242 PolarHBondContact O-N 2.81Å |
| 208 | I | 95.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.4 | 176.2 | -56.8 | 178.8 | 0 | 0 | 0 | 109.8 | A193 I195 K213 L242 | A193-I208 PolarHBondContact O-N 2.88Å; I195-I208 HydrophobicContact CD1-CD1 3.91Å; I195-I208 HydrophobicContact CD1-CG1 4.17Å; I195-I208 HydrophobicContact CG1-CB 4.47Å; I195-I208 HydrophobicContact CG1-CD1 4.13Å; I195-I208 HydrophobicContact CG1-CG1 4.07Å; I195-I208 HydrophobicContact CG2-CD1 4.46Å; I208-K213 PolarHBondContact O-NZ 3.27Å; I208-L242 HydrophobicContact CG1-CB 4.35Å |
| 209 | L | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -105.8 | 104.2 | 166.9 | -63.2 | 176 | 0 | 0 | 0 | 108 | V191 A193 K213 M214 L217 I241 L242 P244 I248 | V191-L209 HydrophobicContact CG1-CD1 4.05Å; V191-L209 HydrophobicContact CG1-CD2 4.22Å; A193-L209 HydrophobicContact CB-CD2 3.93Å; A193-L209 HydrophobicContact CB-CG 4.05Å; L209-K213 HydrophobicContact CD2-CB 4.14Å; L209-K213 HydrophobicContact CD2-CD 4.01Å; L209-M214 HydrophobicContact CB-CG 4Å; L209-M214 HydrophobicContact CB-SD 3.87Å; L209-M214 HydrophobicContact CD1-SD 3.85Å; L209-L217 HydrophobicContact CD1-CD1 3.85Å; L209-L217 HydrophobicContact CD2-CD1 4.02Å; L209-I241 HydrophobicContact CB-CG2 4.44Å; L209-I241 HydrophobicContact CD1-CG2 3.7Å; L209-I241 HydrophobicContact CG-CG2 3.81Å; L209-L242 PolarHBondContact N-O 3.28Å; L209-P244 WeakPolarHBondContact O-CD 3.46Å; L209-I248 HydrophobicContact CD1-CB 4.05Å; L209-I248 HydrophobicContact CD1-CD1 3.74Å; L209-I248 HydrophobicContact CD1-CG1 3.73Å | ||
| 210 | D | 93.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | trans | -73.2 | 177.1 | 173 | 65.8 | 31.8 | 0 | 0 | 0 | 111.4 | K212 K213 M214 | D210-K212 VanDerWaalsContact C-N 3.26Å; D210-K212 PolarHBondContact O-N 2.61Å; D210-K212 WeakPolarHBondContact OD1-CB 3.31Å; D210-K212 PolarHBondContact OD1-N 2.83Å; D210-K213 PolarHBondContact O-N 3.1Å; D210-K213 PolarHBondContact OD1-N 2.66Å; D210-M214 WeakPolarHBondContact O-CB 3.48Å; D210-M214 VanDerWaalsContact O-CG 3.29Å; D210-M214 WeakPolarHBondContact O-CG 3.5Å; D210-M214 PolarHBondContact O-N 3.27Å | ||
| 211 | K | 94.8 | Very high | 95.8 | Very high | 157 Ų | 157 | 50 Ų | 50 | 68% | 0.683 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -56.5 | -41.3 | -179.5 | -67.8 | -175 | 178.9 | -176.8 | 0 | 112.4 | M214 E215 P244 | K211-M214 PolarHBondContact O-N 2.88Å; K211-E215 WeakPolarHBondContact O-CG 3.34Å; K211-E215 PolarHBondContact O-N 2.82Å; K211-P244 HydrophobicContact CG-CG 4.16Å |
| 212 | K | 95.3 | Very high | 95.9 | Very high | 140 Ų | 140 | 54.3 Ų | 54.3 | 61% | 0.609 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.8 | -47.2 | -178.6 | -175.8 | -174.6 | 174.9 | -170.9 | 0 | 110.8 | D210 M214 E215 E216 | D210-K212 VanDerWaalsContact C-N 3.26Å; D210-K212 PolarHBondContact O-N 2.61Å; D210-K212 WeakPolarHBondContact OD1-CB 3.31Å; D210-K212 PolarHBondContact OD1-N 2.83Å; K212-M214 VanDerWaalsContact C-N 3.29Å; K212-M214 PolarHBondContact O-N 3.12Å; K212-E215 WeakPolarHBondContact O-CB 3.49Å; K212-E215 PolarHBondContact O-N 3.14Å; K212-E216 VanDerWaalsContact CE-OE1 3.26Å; K212-E216 WeakPolarHBondContact CE-OE1 3.28Å; K212-E216 WeakPolarHBondContact O-CG 3.16Å; K212-E216 PolarHBondContact O-N 2.89Å |
| 213 | K | 96.7 | Very high | 96 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 175.4 | -69.7 | -174.8 | 177 | -169.5 | 0 | 112 | D192 T194 I208 L209 D210 E216 L217 | D192-K213 PolarHBondContact O-NZ 2.85Å; D192-K213 VanDerWaalsContact O-NZ 3.16Å; T194-K213 PolarHBondContact O-NZ 3.38Å; I208-K213 PolarHBondContact O-NZ 3.27Å; L209-K213 HydrophobicContact CD2-CB 4.14Å; L209-K213 HydrophobicContact CD2-CD 4.01Å; D210-K213 PolarHBondContact O-N 3.1Å; D210-K213 PolarHBondContact OD1-N 2.66Å; K213-E216 PolarHBondContact O-N 2.88Å; K213-L217 WeakPolarHBondContact O-CB 3.37Å; K213-L217 VanDerWaalsContact O-CG 3.27Å; K213-L217 WeakPolarHBondContact O-CG 3.31Å; K213-L217 PolarHBondContact O-N 2.95Å |
| 214 | M | 97.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 175.9 | -71.3 | -69 | -78.2 | 0 | 0 | 112.3 | L209 D210 K211 K212 L217 L218 P244 G247 I248 I251 | L209-M214 HydrophobicContact CB-CG 4Å; L209-M214 HydrophobicContact CB-SD 3.87Å; L209-M214 HydrophobicContact CD1-SD 3.85Å; D210-M214 WeakPolarHBondContact O-CB 3.48Å; D210-M214 VanDerWaalsContact O-CG 3.29Å; D210-M214 WeakPolarHBondContact O-CG 3.5Å; D210-M214 PolarHBondContact O-N 3.27Å; K211-M214 PolarHBondContact O-N 2.88Å; K212-M214 VanDerWaalsContact C-N 3.29Å; K212-M214 PolarHBondContact O-N 3.12Å; M214-L217 PolarHBondContact O-N 2.96Å; M214-L218 WeakPolarHBondContact O-CG 3.32Å; M214-L218 PolarHBondContact O-N 2.78Å; M214-P244 HydrophobicContact CG-CG 3.88Å; M214-G247 VanDerWaalsContact CE-C 3.49Å; M214-I248 HydrophobicContact SD-CB 4.43Å; M214-I248 HydrophobicContact SD-CD1 4.2Å; M214-I251 HydrophobicContact CB-CD1 4.34Å; M214-I251 HydrophobicContact CE-CD1 3.22Å; M214-I251 HydrophobicContact CE-CG1 4.13Å; M214-I251 HydrophobicContact SD-CD1 3.76Å |
| 215 | E | 97.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 61.7 Ų | 61.7 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 173.3 | -73.8 | 166.5 | -168.5 | 0 | 0 | 111.9 | K211 K212 L218 L219 | K211-E215 WeakPolarHBondContact O-CG 3.34Å; K211-E215 PolarHBondContact O-N 2.82Å; K212-E215 WeakPolarHBondContact O-CB 3.49Å; K212-E215 PolarHBondContact O-N 3.14Å; E215-L218 WeakPolarHBondContact O-CB 3.41Å; E215-L218 PolarHBondContact O-N 2.81Å; E215-L219 WeakPolarHBondContact O-CG 3.4Å; E215-L219 PolarHBondContact O-N 3.15Å; E215-L219 VanDerWaalsContact O-N 3.12Å |
| 216 | E | 97.3 | Very high | 96 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 173.7 | -71.6 | 170.4 | -172.7 | 0 | 0 | 111.3 | K212 K213 L218 L219 L220 | K212-E216 VanDerWaalsContact CE-OE1 3.26Å; K212-E216 WeakPolarHBondContact CE-OE1 3.28Å; K212-E216 WeakPolarHBondContact O-CG 3.16Å; K212-E216 PolarHBondContact O-N 2.89Å; K213-E216 PolarHBondContact O-N 2.88Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.49Å; E216-L219 WeakPolarHBondContact O-CB 3.46Å; E216-L219 PolarHBondContact O-N 3.36Å; E216-L219 VanDerWaalsContact O-N 3.1Å; E216-L220 PolarHBondContact O-N 2.92Å; E216-L220 VanDerWaalsContact O-N 3.1Å |
| 217 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 177.5 | -72.1 | 169.7 | 0 | 0 | 0 | 112.8 | S174 I189 V191 L209 K213 M214 L219 L220 A221 W232 I248 | S174-L217 WeakPolarHBondContact OG-CD2 3.36Å; I189-L217 HydrophobicContact CG2-CD2 4.35Å; V191-L217 HydrophobicContact CG1-CD1 4.1Å; V191-L217 HydrophobicContact CG2-CD2 4.26Å; L209-L217 HydrophobicContact CD1-CD1 3.85Å; L209-L217 HydrophobicContact CD2-CD1 4.02Å; K213-L217 WeakPolarHBondContact O-CB 3.37Å; K213-L217 VanDerWaalsContact O-CG 3.27Å; K213-L217 WeakPolarHBondContact O-CG 3.31Å; K213-L217 PolarHBondContact O-N 2.95Å; M214-L217 PolarHBondContact O-N 2.96Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.61Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å; L217-L220 PolarHBondContact O-N 2.7Å; L217-A221 WeakPolarHBondContact O-CB 3.17Å; L217-A221 PolarHBondContact O-N 2.9Å; L217-W232 HydrophobicContact CB-CH2 4.16Å; L217-W232 HydrophobicContact CB-CZ3 4.26Å; L217-W232 HydrophobicContact CD2-CH2 4.3Å; L217-W232 HydrophobicContact CD2-CZ3 3.87Å; L217-W232 HydrophobicContact CG-CZ3 4.46Å; L217-I248 HydrophobicContact CD1-CD1 3.75Å |
| 218 | L | 97.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 73.4 Ų | 73.4 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 172.4 | -81.8 | 165.8 | 0 | 0 | 0 | 112.2 | M214 E215 E216 K222 I251 | M214-L218 WeakPolarHBondContact O-CG 3.32Å; M214-L218 PolarHBondContact O-N 2.78Å; E215-L218 WeakPolarHBondContact O-CB 3.41Å; E215-L218 PolarHBondContact O-N 2.81Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.49Å; L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 2.85Å; L218-I251 HydrophobicContact CD1-CD1 4.36Å; L218-I251 HydrophobicContact CD2-CB 4.41Å; L218-I251 HydrophobicContact CD2-CD1 4.09Å; L218-I251 HydrophobicContact CD2-CG1 3.76Å; L218-I251 HydrophobicContact CD2-CG2 4.05Å; L218-I251 HydrophobicContact CG-CD1 3.74Å; L218-I251 HydrophobicContact CG-CG1 4.01Å; L218-I251 HydrophobicContact CG-CG2 4.31Å |
| 219 | L | 97.4 | Very high | 96 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -47.4 | 175.2 | -66.5 | 170.9 | 0 | 0 | 0 | 110.7 | E215 E216 L217 A221 K222 E223 | E215-L219 WeakPolarHBondContact O-CG 3.4Å; E215-L219 PolarHBondContact O-N 3.15Å; E215-L219 VanDerWaalsContact O-N 3.12Å; E216-L219 WeakPolarHBondContact O-CB 3.46Å; E216-L219 PolarHBondContact O-N 3.36Å; E216-L219 VanDerWaalsContact O-N 3.1Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.61Å; L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 3.46Å; L219-K222 WeakPolarHBondContact O-CB 3.3Å; L219-K222 PolarHBondContact O-N 3.28Å; L219-E223 WeakPolarHBondContact O-CG 3.45Å; L219-E223 PolarHBondContact O-N 3.44Å |
| 220 | L | 97.6 | Very high | 96 | Very high | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 176.3 | -59 | -176 | 0 | 0 | 0 | 111.9 | H176 I189 E216 L217 K222 E223 S224 | H176-L220 HydrophobicContact CB-CD2 3.94Å; I189-L220 HydrophobicContact CD1-CB 4.12Å; I189-L220 WeakPolarHBondContact CD1-O 3.33Å; I189-L220 HydrophobicContact CG1-CB 4.48Å; I189-L220 HydrophobicContact CG2-CB 4.17Å; I189-L220 HydrophobicContact CG2-CD1 4.12Å; E216-L220 PolarHBondContact O-N 2.92Å; E216-L220 VanDerWaalsContact O-N 3.1Å; L217-L220 HydrophobicContact CD2-CD1 4.4Å; L217-L220 PolarHBondContact O-N 2.7Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 PolarHBondContact O-N 3.19Å; L220-E223 PolarHBondContact O-N 3.36Å; L220-S224 PolarHBondContact O-N 2.84Å; L220-S224 VanDerWaalsContact O-N 3.08Å |
| 221 | A | 97.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 69.1 Ų | 69.1 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L217 L219 S224 W232 I251 | L217-A221 WeakPolarHBondContact O-CB 3.17Å; L217-A221 PolarHBondContact O-N 2.9Å; L219-A221 VanDerWaalsContact C-N 3.27Å; L219-A221 PolarHBondContact O-N 3.46Å; A221-S224 PolarHBondContact O-OG 3.48Å; A221-W232 HydrophobicContact CB-CH2 4.27Å; A221-W232 HydrophobicContact CB-CZ2 3.77Å; A221-I251 HydrophobicContact CB-CG2 4.07Å |
| 222 | K | 96.3 | Very high | 96.5 | Very high | 143 Ų | 143 | 61.6 Ų | 61.6 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -70.8 | -38.8 | 176.1 | -71.4 | 170.1 | -177.4 | 178.1 | 0 | 111.5 | L218 L219 L220 S224 S225 | L218-K222 WeakPolarHBondContact O-CG 3.37Å; L218-K222 PolarHBondContact O-N 2.85Å; L219-K222 WeakPolarHBondContact O-CB 3.3Å; L219-K222 PolarHBondContact O-N 3.28Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 PolarHBondContact O-N 3.19Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 3.4Å; K222-S225 VanDerWaalsContact O-CB 3.24Å; K222-S225 WeakPolarHBondContact O-CB 3.06Å; K222-S225 PolarHBondContact O-N 2.75Å; K222-S225 PolarHBondContact O-OG 3.1Å |
| 223 | E | 95.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 176.9 | -71.5 | 171 | -170.6 | 0 | 0 | 112 | H176 L219 L220 S225 | H176-E223 IonicContact ND1-OE2 3.73Å; L219-E223 WeakPolarHBondContact O-CG 3.45Å; L219-E223 PolarHBondContact O-N 3.44Å; L220-E223 PolarHBondContact O-N 3.36Å; E223-S225 VanDerWaalsContact C-N 3.29Å; E223-S225 PolarHBondContact O-N 3.16Å |
| 224 | S | 95.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -79.4 | -5.3 | 178.9 | 79.3 | 0 | 0 | 0 | 0 | 114.9 | S187 L220 A221 K222 R226 S227 T230 | S187-S224 WeakPolarHBondContact OG-CB 3.28Å; L220-S224 PolarHBondContact O-N 2.84Å; L220-S224 VanDerWaalsContact O-N 3.08Å; A221-S224 PolarHBondContact O-OG 3.48Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 3.4Å; S224-R226 PolarHBondContact O-N 3.4Å; S224-S227 VanDerWaalsContact O-CB 3.31Å; S224-S227 WeakPolarHBondContact O-CB 3.28Å; S224-S227 PolarHBondContact O-N 2.81Å; S224-S227 PolarHBondContact O-OG 3.35Å; S224-T230 WeakPolarHBondContact CB-OG1 3.42Å; S224-T230 PolarHBondContact OG-OG1 2.97Å |
| 225 | S | 92.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -57.9 | -21.7 | -174.1 | 60.5 | 0 | 0 | 0 | 0 | 115.4 | K222 E223 | K222-S225 VanDerWaalsContact O-CB 3.24Å; K222-S225 WeakPolarHBondContact O-CB 3.06Å; K222-S225 PolarHBondContact O-N 2.75Å; K222-S225 PolarHBondContact O-OG 3.1Å; E223-S225 VanDerWaalsContact C-N 3.29Å; E223-S225 PolarHBondContact O-N 3.16Å |
| 226 | R | 90.7 | Very high | 96.9 | Very high | 232 Ų | 232 | 47 Ų | 47 | 88% | 0.875 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -95.1 | 0 | 177.8 | -63.5 | -172.4 | 177.9 | -178.1 | 0.1 | 114.3 | S224 | S224-R226 PolarHBondContact O-N 3.4Š|
| 227 | S | 95.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.4 | 149.7 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | N185 S187 S224 H229 | N185-S227 CarbonylContact O-C 3.54Å; N185-S227 WeakPolarHBondContact O-CA 3.38Å; N185-S227 VanDerWaalsContact O-CB 3.31Å; N185-S227 WeakPolarHBondContact O-CB 3.34Å; S187-S227 WeakPolarHBondContact OG-CB 3.43Å; S187-S227 PolarHBondContact OG-OG 2.9Å; S224-S227 VanDerWaalsContact O-CB 3.31Å; S224-S227 WeakPolarHBondContact O-CB 3.28Å; S224-S227 PolarHBondContact O-N 2.81Å; S224-S227 PolarHBondContact O-OG 3.35Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 WeakPolarHBondContact CB-O 3.06Å; S227-H229 PolarHBondContact O-N 3.28Å |
| 228 | N | 95.6 | Very high | 96.9 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -56.2 | -46.8 | 172.4 | -66.5 | 64.7 | 0 | 0 | 0 | 110.3 | G184 N185 Y186 D303 | G184-N228 WeakPolarHBondContact CA-OD1 3.38Å; N185-N228 PolarHBondContact N-OD1 3.2Å; N185-N228 PolarHBondContact O-N 2.68Å; N185-N228 PolarHBondContact O-OD1 3.4Å; Y186-N228 HydrophobicContact CE1-CB 4.16Å; N228-D303 PolarHBondContact ND2-OD1 3.32Å |
| 229 | H | 97.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 157.1 | 173.3 | -64.7 | -83.9 | 0 | 0 | 0 | 111.8 | Y186 S187 S227 I256 F300 D303 H333 | Y186-H229 HydrophobicContact CD1-CB 4.09Å; Y186-H229 AromaticContact CE1-CD2 3.71Å; S187-H229 PolarHBondContact N-O 2.89Å; S227-H229 VanDerWaalsContact C-N 3.28Å; S227-H229 WeakPolarHBondContact CB-O 3.06Å; S227-H229 PolarHBondContact O-N 3.28Å; H229-I256 HydrophobicContact CB-CG2 4.49Å; H229-F300 HydrophobicContact CB-CD1 4.41Å; H229-F300 HydrophobicContact CB-CE1 3.55Å; H229-F300 HydrophobicContact CB-CZ 3.8Å; H229-F300 AromaticContact CD2-CD1 3.68Å; H229-F300 AromaticContact CD2-CE1 3.58Å; H229-F300 AromaticContact CG-CD1 3.99Å; H229-F300 AromaticContact CG-CE1 3.39Å; H229-F300 AromaticContact ND1-CE1 3.96Å; H229-D303 IonicContact CD2-OD1 3.77Å; H229-D303 PolarHBondContact CE1-O 3.38Å; H229-D303 VanDerWaalsContact NE2-CB 3.32Å; H229-D303 WeakPolarHBondContact NE2-CB 3.12Å; H229-D303 PolarHBondContact NE2-O 3.15Å; H229-D303 IonicContact NE2-OD1 3.42Å; H229-H333 PolarHBondContact CE1-O 2.78Å; H229-H333 VanDerWaalsContact CE1-O 3.31Å; H229-H333 PolarHBondContact ND1-O 3.17Å |
| 230 | T | 98.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125 | 169.4 | -55 | 0 | 0 | 0 | 0 | 109.4 | S187 I189 S224 A255 I256 | S187-T230 CarbonylContact O-C 3.54Å; S187-T230 WeakPolarHBondContact O-CA 3.23Å; I189-T230 HydrophobicContact CD1-CG2 3.82Å; I189-T230 HydrophobicContact CG1-CG2 4.11Å; S224-T230 WeakPolarHBondContact CB-OG1 3.42Å; S224-T230 PolarHBondContact OG-OG1 2.97Å; T230-A255 VanDerWaalsContact O-CA 3.3Å; T230-A255 WeakPolarHBondContact O-CA 3.31Å; T230-A255 WeakPolarHBondContact O-CB 3.49Å; T230-I256 PolarHBondContact O-N 3.3Å |
| 231 | I | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.9 | 164.3 | -74.4 | 177.4 | 0 | 0 | 0 | 108 | L100 S187 F188 I189 I256 L259 F298 F300 F305 | L100-I231 HydrophobicContact CD1-CG2 4.46Å; S187-I231 PolarHBondContact O-N 2.83Å; F188-I231 CarbonylContact C-O 3.48Å; F188-I231 VanDerWaalsContact CA-O 3.28Å; F188-I231 WeakPolarHBondContact CA-O 3.24Å; F188-I231 HydrophobicContact CD1-CB 3.9Å; F188-I231 HydrophobicContact CD1-CG2 4.03Å; F188-I231 HydrophobicContact CE1-CB 4.04Å; F188-I231 HydrophobicContact CE1-CD1 3.84Å; F188-I231 HydrophobicContact CE1-CG1 4.42Å; F188-I231 HydrophobicContact CE1-CG2 4.31Å; I189-I231 PolarHBondContact N-O 3.46Å; I231-I256 HydrophobicContact CD1-CG2 4.45Å; I231-I256 HydrophobicContact CG1-CG2 3.62Å; I231-L259 HydrophobicContact CD1-CD1 4.42Å; I231-L259 HydrophobicContact CG2-CD1 3.74Å; I231-L259 HydrophobicContact CG2-CG 3.85Å; I231-F298 HydrophobicContact CD1-CD2 4.3Å; I231-F298 HydrophobicContact CD1-CE2 4.2Å; I231-F300 HydrophobicContact CD1-CE2 3.6Å; I231-F300 HydrophobicContact CD1-CZ 3.72Å; I231-F300 HydrophobicContact CG1-CE2 4.35Å; I231-F300 HydrophobicContact CG1-CZ 4.04Å; I231-F305 HydrophobicContact CD1-CD2 4.39Å; I231-F305 HydrophobicContact CD1-CE2 3.77Å; I231-F305 HydrophobicContact CD1-CZ 4.41Å |
| 232 | W | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.6 | 166.4 | -71.8 | 54 | 0 | 0 | 0 | 108.3 | I189 V191 L217 A221 I248 I251 M252 A255 A257 Y258 L259 | I189-W232 HydrophobicContact CB-CD2 4.07Å; I189-W232 HydrophobicContact CB-CG 4.26Å; I189-W232 HydrophobicContact CB-CZ2 4.46Å; I189-W232 HydrophobicContact CD1-CZ2 3.7Å; I189-W232 HydrophobicContact CG2-CD2 4.02Å; I189-W232 HydrophobicContact CG2-CE3 4.02Å; I189-W232 HydrophobicContact CG2-CH2 4.04Å; I189-W232 HydrophobicContact CG2-CZ2 4.09Å; I189-W232 HydrophobicContact CG2-CZ3 4.04Å; I189-W232 CarbonylContact O-C 3.57Å; I189-W232 VanDerWaalsContact O-CA 3.29Å; I189-W232 WeakPolarHBondContact O-CA 3.48Å; V191-W232 HydrophobicContact CG2-CE3 3.43Å; V191-W232 VanDerWaalsContact CG2-CE3 3.43Å; V191-W232 HydrophobicContact CG2-CZ3 3.86Å; L217-W232 HydrophobicContact CB-CH2 4.16Å; L217-W232 HydrophobicContact CB-CZ3 4.26Å; L217-W232 HydrophobicContact CD2-CH2 4.3Å; L217-W232 HydrophobicContact CD2-CZ3 3.87Å; L217-W232 HydrophobicContact CG-CZ3 4.46Å; A221-W232 HydrophobicContact CB-CH2 4.27Å; A221-W232 HydrophobicContact CB-CZ2 3.77Å; W232-I248 HydrophobicContact CZ3-CD1 3.99Å; W232-I251 HydrophobicContact CH2-CG2 3.5Å; W232-I251 HydrophobicContact CZ2-CG2 4.08Å; W232-I251 HydrophobicContact CZ3-CG2 4.29Å; W232-M252 HydrophobicContact CD2-CB 3.68Å; W232-M252 HydrophobicContact CE3-CB 3.99Å; W232-M252 HydrophobicContact CG-CB 3.95Å; W232-M252 HydrophobicContact CZ2-CB 4.41Å; W232-A255 HydrophobicContact CG-CB 4.25Å; W232-A257 PolarHBondContact N-O 3.42Å; W232-Y258 HydrophobicContact CB-CD2 3.66Å; W232-Y258 HydrophobicContact CB-CE2 4.48Å; W232-Y258 CarbonylContact O-C 3.54Å; W232-Y258 VanDerWaalsContact O-CA 3.27Å; W232-Y258 WeakPolarHBondContact O-CA 3.46Å; W232-L259 PolarHBondContact O-N 3.16Å |
| 233 | F | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.6 | 174 | 71.9 | -79.6 | 0 | 0 | 0 | 111.5 | L100 T102 L142 F175 F188 I189 C190 V191 L259 | L100-F233 HydrophobicContact CD1-CB 4.19Å; L100-F233 HydrophobicContact CD1-CD1 4.43Å; L100-F233 HydrophobicContact CD1-CG 4.24Å; L100-F233 HydrophobicContact CD2-CD1 4.17Å; L100-F233 HydrophobicContact CD2-CD2 4.34Å; L100-F233 HydrophobicContact CD2-CE1 4.09Å; L100-F233 HydrophobicContact CD2-CE2 4.25Å; L100-F233 HydrophobicContact CD2-CG 4.29Å; L100-F233 HydrophobicContact CD2-CZ 4.11Å; T102-F233 HydrophobicContact CG2-CB 4.1Å; T102-F233 HydrophobicContact CG2-CD2 4.08Å; L142-F233 HydrophobicContact CB-CZ 4.19Å; F175-F233 AromaticContact CE2-CZ 3.98Å; F175-F233 HydrophobicContact CE2-CZ 3.98Å; F175-F233 HydrophobicContact CZ-CE2 4.36Å; F175-F233 AromaticContact CZ-CZ 3.71Å; F175-F233 HydrophobicContact CZ-CZ 3.71Å; F188-F233 HydrophobicContact CB-CD1 4.39Å; F188-F233 HydrophobicContact CB-CE1 4.04Å; I189-F233 WeakPolarHBondContact O-CD1 3.45Å; I189-F233 PolarHBondContact O-N 2.87Å; C190-F233 CarbonylContact C-O 3.54Å; C190-F233 VanDerWaalsContact CA-O 3.31Å; C190-F233 WeakPolarHBondContact CA-O 3.47Å; C190-F233 HydrophobicContact CB-CD1 4.4Å; C190-F233 HydrophobicContact CB-CE1 3.7Å; C190-F233 HydrophobicContact CB-CE2 3.88Å; C190-F233 HydrophobicContact CB-CZ 3.42Å; C190-F233 VanDerWaalsContact CB-CZ 3.42Å; C190-F233 VanDerWaalsContact SG-CE2 3.54Å; V191-F233 PolarHBondContact N-O 3.4Å; F233-L259 WeakPolarHBondContact CA-O 3.24Å; F233-L259 HydrophobicContact CB-CB 4.19Å; F233-L259 WeakPolarHBondContact CB-O 3.13Å |
| 234 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T102 L259 C260 | T102-G234 WeakPolarHBondContact CB-O 3.27Å; G234-L259 PolarHBondContact N-O 2.71Å; G234-L259 VanDerWaalsContact N-O 3.12Å; G234-C260 VanDerWaalsContact O-CA 3.24Å; G234-C260 WeakPolarHBondContact O-CA 3.43Å; G234-C260 WeakPolarHBondContact O-CB 3.41Å |
| 235 | H | 98.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -80.9 | -57.1 | -178.7 | 179 | 65.3 | 0 | 0 | 0 | 112.8 | D68 T102 D104 G146 N147 G261 H262 | D68-H235 IonicContact OD1-CE1 2.7Å; D68-H235 PolarHBondContact OD1-CE1 3.24Å; D68-H235 VanDerWaalsContact OD1-CE1 3.26Å; T102-H235 WeakPolarHBondContact O-CA 3.36Å; T102-H235 WeakPolarHBondContact O-CB 3.42Å; T102-H235 PolarHBondContact O-ND1 3.17Å; D104-H235 IonicContact OD1-CE1 2.74Å; D104-H235 IonicContact OD1-NE2 3.98Å; D104-H235 PolarHBondContact OD1-NE2 3.3Å; D104-H235 IonicContact OD2-CE1 3.34Å; D104-H235 PolarHBondContact OD2-CE1 2.84Å; D104-H235 IonicContact OD2-NE2 3.25Å; D104-H235 PolarHBondContact OD2-NE2 3.12Å; G146-H235 WeakPolarHBondContact CA-CD2 3.43Å; N147-H235 PolarHBondContact N-CD2 2.68Å; N147-H235 PolarHBondContact OD1-NE2 3.43Å; H235-G261 CarbonylContact O-C 3.36Å; H235-G261 PolarHBondContact O-N 3.42Å; H235-H262 AromaticContact CD2-ND1 3.61Å; H235-H262 AromaticContact NE2-CG 3.67Å; H235-H262 AromaticContact NE2-ND1 3.09Å; H235-H262 PolarHBondContact NE2-ND1 3.49Å; H235-H262 VanDerWaalsContact O-CB 3.3Å; H235-H262 WeakPolarHBondContact O-CB 3.38Å |
| 236 | F | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -71 | 142.4 | -174.1 | -58.1 | -90.8 | 0 | 0 | 0 | 112 | N147 A193 T194 F205 G207 I241 Y258 H262 | N147-F236 HydrophobicContact CB-CE1 3.91Å; N147-F236 HydrophobicContact CB-CZ 3.74Å; A193-F236 HydrophobicContact CB-CD2 3.77Å; A193-F236 HydrophobicContact CB-CE2 4.15Å; T194-F236 HydrophobicContact CG2-CE2 4.14Å; F205-F236 WeakPolarHBondContact O-CE1 3.5Å; G207-F236 VanDerWaalsContact N-CE1 3.31Å; F236-I241 HydrophobicContact CB-CD1 3.95Å; F236-I241 HydrophobicContact CB-CG1 3.54Å; F236-I241 HydrophobicContact CG-CG1 4.33Å; F236-Y258 VanDerWaalsContact O-CE1 3.31Å; F236-Y258 WeakPolarHBondContact O-CE1 3.47Å; F236-Y258 PolarHBondContact O-OH 3.46Å; F236-H262 AromaticContact CD1-CE1 3.78Å; F236-H262 AromaticContact CD1-ND1 3.88Å; F236-H262 AromaticContact CD1-NE2 3.89Å; F236-H262 AromaticContact CE1-CE1 3.85Å |
| 237 | T | 98 | Very high | 96 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -63.2 | 153.6 | 161.8 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | S239 T240 I241 L263 E283 E285 L430 | T237-S239 PolarHBondContact O-N 2.98Å; T237-S239 PolarHBondContact OG1-OG 3.3Å; T237-T240 PolarHBondContact N-OG1 2.98Å; T237-T240 PolarHBondContact O-N 3.45Å; T237-T240 PolarHBondContact O-OG1 3.45Å; T237-T240 PolarHBondContact OG1-OG1 3.31Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.36Å; T237-L263 HydrophobicContact CG2-CD1 3.71Å; T237-L263 HydrophobicContact CG2-CG 3.77Å; T237-E283 WeakPolarHBondContact CA-OE1 3.28Å; T237-E283 WeakPolarHBondContact CB-OE1 3.46Å; T237-E285 HydrophobicContact CG2-CB 4.49Å; T237-E285 HydrophobicContact CG2-CG 4.34Å; T237-L430 HydrophobicContact CG2-CD2 3.5Å; T237-L430 VanDerWaalsContact CG2-CD2 3.5Å | ||
| 238 | T | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -63.5 | -28.4 | -179.4 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | T240 I241 I248 R249 M252 Y258 E283 L430 | T238-T240 PolarHBondContact O-N 2.84Å; T238-I241 PolarHBondContact O-N 3.01Å; T238-I248 HydrophobicContact CG2-CG2 4.27Å; T238-R249 HydrophobicContact CG2-CG 4.13Å; T238-R249 PolarHBondContact OG1-NE 3.28Å; T238-R249 PolarHBondContact OG1-NH2 3.32Å; T238-R249 VanDerWaalsContact OG1-NH2 3.15Å; T238-M252 HydrophobicContact CG2-CE 3.76Å; T238-M252 HydrophobicContact CG2-SD 4.28Å; T238-Y258 HydrophobicContact CG2-CD1 3.73Å; T238-Y258 HydrophobicContact CG2-CE1 3.8Å; T238-E283 PolarHBondContact N-OE1 3.07Å; T238-E283 PolarHBondContact OG1-OE1 3.11Å; T238-E283 PolarHBondContact OG1-OE2 2.92Å; T238-L430 PolarHBondContact OG1-O 3.46Å |
| 239 | S | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -66.5 | -17.8 | 172.2 | 54 | 0 | 0 | 0 | 0 | 114.6 | T237 I429 L430 T432 | T237-S239 PolarHBondContact O-N 2.98Å; T237-S239 PolarHBondContact OG1-OG 3.3Å; S239-I429 WeakPolarHBondContact CB-O 3.43Å; S239-I429 PolarHBondContact OG-O 3.3Å; S239-L430 VanDerWaalsContact CB-O 3.26Å; S239-L430 WeakPolarHBondContact CB-O 3.49Å; S239-L430 PolarHBondContact N-O 3.3Å; S239-T432 WeakPolarHBondContact CB-O 3.47Å |
| 240 | T | 96.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 19 Ų | 19 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -107.1 | 14.5 | 178.1 | 57 | 0 | 0 | 0 | 0 | 112.9 | F205 F206 G207 T237 T238 H262 L263 | F205-T240 HydrophobicContact CE1-CG2 4.22Å; F206-T240 CarbonylContact C-O 3.5Å; F206-T240 VanDerWaalsContact CA-O 3.28Å; F206-T240 WeakPolarHBondContact CA-O 3.44Å; F206-T240 WeakPolarHBondContact CB-O 3.43Å; F206-T240 WeakPolarHBondContact CD1-O 3.23Å; F206-T240 HydrophobicContact CE1-CG2 4.24Å; G207-T240 PolarHBondContact N-O 2.81Å; T237-T240 PolarHBondContact N-OG1 2.98Å; T237-T240 PolarHBondContact O-N 3.45Å; T237-T240 PolarHBondContact O-OG1 3.45Å; T237-T240 PolarHBondContact OG1-OG1 3.31Å; T238-T240 PolarHBondContact O-N 2.84Å; T240-H262 PolarHBondContact OG1-CD2 3.03Å; T240-L263 HydrophobicContact CG2-CD2 4.2Å |
| 241 | I | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.2 | 174.8 | -63.2 | 171.3 | 0 | 0 | 0 | 110.5 | A193 L209 F236 T237 T238 S243 I248 | A193-I241 HydrophobicContact CB-CD1 4.15Å; A193-I241 HydrophobicContact CB-CG1 4.06Å; A193-I241 HydrophobicContact CB-CG2 4.32Å; L209-I241 HydrophobicContact CB-CG2 4.44Å; L209-I241 HydrophobicContact CD1-CG2 3.7Å; L209-I241 HydrophobicContact CG-CG2 3.81Å; F236-I241 HydrophobicContact CB-CD1 3.95Å; F236-I241 HydrophobicContact CB-CG1 3.54Å; F236-I241 HydrophobicContact CG-CG1 4.33Å; T237-I241 WeakPolarHBondContact O-CG1 3.45Å; T237-I241 PolarHBondContact O-N 3.36Å; T238-I241 PolarHBondContact O-N 3.01Å; I241-S243 PolarHBondContact O-N 2.9Å; I241-I248 HydrophobicContact CG2-CG2 4.43Å |
| 242 | L | 95 | Very high | 95.6 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 117.2 | 165.7 | -79.6 | 68.2 | 0 | 0 | 0 | 108 | F206 G207 I208 L209 Y435 Q529 | F206-L242 HydrophobicContact CB-CD1 3.75Å; F206-L242 HydrophobicContact CD1-CD1 3.73Å; F206-L242 HydrophobicContact CG-CD1 4.04Å; G207-L242 PolarHBondContact O-N 2.81Å; I208-L242 HydrophobicContact CG1-CB 4.35Å; L209-L242 PolarHBondContact N-O 3.28Å; L242-Y435 HydrophobicContact CD1-CD1 3.94Å; L242-Y435 HydrophobicContact CD1-CD2 4.24Å; L242-Y435 HydrophobicContact CD1-CE1 4.28Å; L242-Y435 HydrophobicContact CD1-CG 3.91Å; L242-Y435 HydrophobicContact CD2-CD2 4.32Å; L242-Y435 HydrophobicContact CD2-CE2 4.37Å; L242-Y435 HydrophobicContact CG-CD1 4.21Å; L242-Y435 HydrophobicContact CG-CD2 3.99Å; L242-Y435 HydrophobicContact CG-CE1 4.12Å; L242-Y435 HydrophobicContact CG-CE2 3.91Å; L242-Y435 HydrophobicContact CG-CG 4.14Å; L242-Q529 HydrophobicContact CD2-CB 4.13Å; L242-Q529 HydrophobicContact CD2-CG 3.94Å |
| 243 | S | 94.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 20.8 Ų | 20.8 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | trans | -135.8 | 135.9 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | I241 I248 | I241-S243 PolarHBondContact O-N 2.9Å; S243-I248 PolarHBondContact OG-N 3.18Å; S243-I248 VanDerWaalsContact OG-N 3.07Å | ||
| 244 | P | 91.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 28% | 0.279 | 16% | 0.159 | S | C | . | . | trans | -66.4 | 158 | 174.5 | 28.8 | -35.5 | 0 | 0 | 0 | 110.8 | L209 K211 M214 G247 | L209-P244 WeakPolarHBondContact O-CD 3.46Å; K211-P244 HydrophobicContact CG-CG 4.16Å; M214-P244 HydrophobicContact CG-CG 3.88Å; P244-G247 WeakPolarHBondContact O-CA 3.38Å; P244-G247 PolarHBondContact O-N 2.79Å | ||
| 245 | S | 87.1 | Confident | 95.1 | Very high | 120 Ų | 120 | 24.1 Ų | 24.1 | 84% | 0.839 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135.9 | 172.6 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | G247 | S245-G247 VanDerWaalsContact C-N 3.35Š|
| 246 | P | 90.9 | Very high | 95 | Very high | 81 Ų | 81 | 24.3 Ų | 24.3 | 53% | 0.526 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.2 | -0.2 | 12.3 | 34.3 | -37.8 | 0 | 0 | 0 | 115.5 | S250 | P246-S250 WeakPolarHBondContact O-CB 3.31Š|
| 247 | G | 93.3 | Very high | 95 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | trans | 87.2 | 153.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M214 P244 S245 R249 S250 I251 | M214-G247 VanDerWaalsContact CE-C 3.49Å; P244-G247 WeakPolarHBondContact O-CA 3.38Å; P244-G247 PolarHBondContact O-N 2.79Å; S245-G247 VanDerWaalsContact C-N 3.35Å; G247-R249 VanDerWaalsContact C-N 3.33Å; G247-R249 PolarHBondContact O-N 3.18Å; G247-S250 WeakPolarHBondContact O-CB 3.47Å; G247-S250 PolarHBondContact O-N 2.91Å; G247-S250 VanDerWaalsContact O-N 3.14Å; G247-I251 PolarHBondContact O-N 3.44Å | ||
| 248 | I | 96.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -172.1 | -168.9 | 49.9 | 0 | 0 | 0 | 113.2 | L209 M214 L217 W232 T238 I241 S243 S250 I251 M252 | L209-I248 HydrophobicContact CD1-CB 4.05Å; L209-I248 HydrophobicContact CD1-CD1 3.74Å; L209-I248 HydrophobicContact CD1-CG1 3.73Å; M214-I248 HydrophobicContact SD-CB 4.43Å; M214-I248 HydrophobicContact SD-CD1 4.2Å; L217-I248 HydrophobicContact CD1-CD1 3.75Å; W232-I248 HydrophobicContact CZ3-CD1 3.99Å; T238-I248 HydrophobicContact CG2-CG2 4.27Å; I241-I248 HydrophobicContact CG2-CG2 4.43Å; S243-I248 PolarHBondContact OG-N 3.18Å; S243-I248 VanDerWaalsContact OG-N 3.07Å; I248-S250 PolarHBondContact O-N 2.88Å; I248-I251 PolarHBondContact O-N 3.19Å; I248-I251 VanDerWaalsContact O-N 3.1Å; I248-M252 HydrophobicContact CB-CE 4.42Å; I248-M252 HydrophobicContact CD1-CE 4.35Å; I248-M252 HydrophobicContact CG1-CE 3.63Å; I248-M252 HydrophobicContact CG2-CE 4.34Å; I248-M252 PolarHBondContact O-N 2.85Å; I248-M252 VanDerWaalsContact O-N 3.12Å |
| 249 | R | 96.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 24.2 Ų | 24.2 | 15% | 0.151 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 176.1 | -59 | -173.1 | -171.7 | 101.7 | 4.9 | 112.2 | T238 G247 M252 S253 L430 R431 D433 | T238-R249 HydrophobicContact CG2-CG 4.13Å; T238-R249 PolarHBondContact OG1-NE 3.28Å; T238-R249 PolarHBondContact OG1-NH2 3.32Å; T238-R249 VanDerWaalsContact OG1-NH2 3.15Å; G247-R249 VanDerWaalsContact C-N 3.33Å; G247-R249 PolarHBondContact O-N 3.18Å; R249-M252 WeakPolarHBondContact O-CG 3.48Å; R249-S253 PolarHBondContact O-N 3.33Å; R249-L430 PolarHBondContact NH2-O 3.1Å; R249-L430 VanDerWaalsContact NH2-O 3.15Å; R249-R431 VanDerWaalsContact CZ-O 3.24Å; R249-R431 PolarHBondContact NH1-O 3.2Å; R249-R431 PolarHBondContact NH2-O 2.77Å; R249-R431 VanDerWaalsContact NH2-O 3.16Å; R249-D433 IonicContact CZ-OD1 3.75Å; R249-D433 IonicContact NH1-OD1 2.83Å; R249-D433 PolarHBondContact NH1-OD1 2.67Å; R249-D433 IonicContact NH1-OD2 3.52Å; R249-D433 IonicContact NH2-OD1 3.39Å; R249-D433 PolarHBondContact NH2-OD1 2.72Å |
| 250 | S | 95.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 24.2 Ų | 24.2 | 33% | 0.329 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.1 | -36 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | P246 G247 I248 S253 | P246-S250 WeakPolarHBondContact O-CB 3.31Å; G247-S250 WeakPolarHBondContact O-CB 3.47Å; G247-S250 PolarHBondContact O-N 2.91Å; G247-S250 VanDerWaalsContact O-N 3.14Å; I248-S250 PolarHBondContact O-N 2.88Å; S250-S253 WeakPolarHBondContact O-CB 3.42Å; S250-S253 PolarHBondContact O-N 3.15Å; S250-S253 PolarHBondContact O-OG 2.83Å |
| 251 | I | 95.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.8 | -42 | 179.7 | -62.3 | 178.7 | 0 | 0 | 0 | 110.5 | M214 L218 A221 W232 G247 I248 S253 | M214-I251 HydrophobicContact CB-CD1 4.34Å; M214-I251 HydrophobicContact CE-CD1 3.22Å; M214-I251 HydrophobicContact CE-CG1 4.13Å; M214-I251 HydrophobicContact SD-CD1 3.76Å; L218-I251 HydrophobicContact CD1-CD1 4.36Å; L218-I251 HydrophobicContact CD2-CB 4.41Å; L218-I251 HydrophobicContact CD2-CD1 4.09Å; L218-I251 HydrophobicContact CD2-CG1 3.76Å; L218-I251 HydrophobicContact CD2-CG2 4.05Å; L218-I251 HydrophobicContact CG-CD1 3.74Å; L218-I251 HydrophobicContact CG-CG1 4.01Å; L218-I251 HydrophobicContact CG-CG2 4.31Å; A221-I251 HydrophobicContact CB-CG2 4.07Å; W232-I251 HydrophobicContact CH2-CG2 3.5Å; W232-I251 HydrophobicContact CZ2-CG2 4.08Å; W232-I251 HydrophobicContact CZ3-CG2 4.29Å; G247-I251 PolarHBondContact O-N 3.44Å; I248-I251 PolarHBondContact O-N 3.19Å; I248-I251 VanDerWaalsContact O-N 3.1Å; I251-S253 PolarHBondContact O-N 3.32Å |
| 252 | M | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 9.4 | 178.7 | 70.7 | 178.9 | 72.4 | 0 | 0 | 114 | W232 T238 I248 R249 S254 A255 Y258 T281 | W232-M252 HydrophobicContact CD2-CB 3.68Å; W232-M252 HydrophobicContact CE3-CB 3.99Å; W232-M252 HydrophobicContact CG-CB 3.95Å; W232-M252 HydrophobicContact CZ2-CB 4.41Å; T238-M252 HydrophobicContact CG2-CE 3.76Å; T238-M252 HydrophobicContact CG2-SD 4.28Å; I248-M252 HydrophobicContact CB-CE 4.42Å; I248-M252 HydrophobicContact CD1-CE 4.35Å; I248-M252 HydrophobicContact CG1-CE 3.63Å; I248-M252 HydrophobicContact CG2-CE 4.34Å; I248-M252 PolarHBondContact O-N 2.85Å; I248-M252 VanDerWaalsContact O-N 3.12Å; R249-M252 WeakPolarHBondContact O-CG 3.48Å; M252-S254 PolarHBondContact O-N 3.42Å; M252-A255 HydrophobicContact CB-CB 4.48Å; M252-A255 WeakPolarHBondContact O-CB 3.47Å; M252-A255 PolarHBondContact O-N 2.78Å; M252-Y258 HydrophobicContact CE-CD1 4.49Å; M252-Y258 HydrophobicContact CE-CD2 4.33Å; M252-Y258 HydrophobicContact CE-CG 4.2Å; M252-Y258 HydrophobicContact SD-CG 4.04Å; M252-T281 HydrophobicContact CG-CG2 4.36Å; M252-T281 PolarHBondContact O-OG1 3.2Å; M252-T281 VanDerWaalsContact O-OG1 3.09Å; M252-T281 HydrophobicContact SD-CG2 4.34Å |
| 253 | S | 94.6 | Very high | 95.5 | Very high | 37 Ų | 37 | 25 Ų | 25 | 26% | 0.259 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.3 | -167.8 | 57.2 | 0 | 0 | 0 | 0 | 115.8 | R249 S250 I251 H333 | R249-S253 PolarHBondContact O-N 3.33Å; S250-S253 WeakPolarHBondContact O-CB 3.42Å; S250-S253 PolarHBondContact O-N 3.15Å; S250-S253 PolarHBondContact O-OG 2.83Å; I251-S253 PolarHBondContact O-N 3.32Å; S253-H333 PolarHBondContact O-CE1 3.18Å; S253-H333 PolarHBondContact O-NE2 3.38Å |
| 254 | S | 93.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 25.2 Ų | 25.2 | 49% | 0.49 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1 | 173.7 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | M252 | M252-S254 PolarHBondContact O-N 3.42Š|
| 255 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -79.7 | 146.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T230 W232 M252 T281 | T230-A255 VanDerWaalsContact O-CA 3.3Å; T230-A255 WeakPolarHBondContact O-CA 3.31Å; T230-A255 WeakPolarHBondContact O-CB 3.49Å; W232-A255 HydrophobicContact CG-CB 4.25Å; M252-A255 HydrophobicContact CB-CB 4.48Å; M252-A255 WeakPolarHBondContact O-CB 3.47Å; M252-A255 PolarHBondContact O-N 2.78Å; A255-T281 HydrophobicContact CB-CG2 3.98Å; A255-T281 WeakPolarHBondContact O-CB 3.44Å; A255-T281 WeakPolarHBondContact O-CG2 2.94Å; A255-T281 PolarHBondContact O-OG1 2.97Å | ||
| 256 | I | 97.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -67.5 | -40.3 | 172.1 | -169.2 | 79.4 | 0 | 0 | 0 | 110.4 | H229 T230 I231 L282 F300 F305 H333 E334 | H229-I256 HydrophobicContact CB-CG2 4.49Å; T230-I256 PolarHBondContact O-N 3.3Å; I231-I256 HydrophobicContact CD1-CG2 4.45Å; I231-I256 HydrophobicContact CG1-CG2 3.62Å; I256-L282 PolarHBondContact O-N 2.91Å; I256-F300 HydrophobicContact CG2-CE1 4.23Å; I256-F300 HydrophobicContact CG2-CZ 3.95Å; I256-F305 HydrophobicContact CD1-CB 4.26Å; I256-F305 HydrophobicContact CG1-CB 3.79Å; I256-F305 HydrophobicContact CG1-CD1 3.97Å; I256-F305 HydrophobicContact CG1-CG 3.97Å; I256-H333 HydrophobicContact CD1-CB 3.88Å; I256-H333 WeakPolarHBondContact CD1-O 3.5Å; I256-E334 HydrophobicContact CD1-CB 3.85Å; I256-E334 HydrophobicContact CD1-CG 4.11Å |
| 257 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W232 L259 L282 L284 F305 | W232-A257 PolarHBondContact N-O 3.42Å; A257-L259 HydrophobicContact CB-CD2 4.08Å; A257-L282 CarbonylContact C-O 3.52Å; A257-L282 VanDerWaalsContact CA-O 3.29Å; A257-L282 WeakPolarHBondContact CA-O 3.35Å; A257-L282 HydrophobicContact CB-CB 4.06Å; A257-L284 HydrophobicContact CB-CD1 4.2Å; A257-F305 HydrophobicContact CB-CE1 4.02Å; A257-F305 HydrophobicContact CB-CZ 4.23Å |
| 258 | Y | 98.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.5 | 161.3 | 178.5 | -122.5 | 0 | 0 | 0 | 109.3 | V191 W232 F236 T238 M252 C260 L282 E283 L284 | V191-Y258 HydrophobicContact CG2-CE2 4.29Å; W232-Y258 HydrophobicContact CB-CD2 3.66Å; W232-Y258 HydrophobicContact CB-CE2 4.48Å; W232-Y258 CarbonylContact O-C 3.54Å; W232-Y258 VanDerWaalsContact O-CA 3.27Å; W232-Y258 WeakPolarHBondContact O-CA 3.46Å; F236-Y258 VanDerWaalsContact O-CE1 3.31Å; F236-Y258 WeakPolarHBondContact O-CE1 3.47Å; F236-Y258 PolarHBondContact O-OH 3.46Å; T238-Y258 HydrophobicContact CG2-CD1 3.73Å; T238-Y258 HydrophobicContact CG2-CE1 3.8Å; M252-Y258 HydrophobicContact CE-CD1 4.49Å; M252-Y258 HydrophobicContact CE-CD2 4.33Å; M252-Y258 HydrophobicContact CE-CG 4.2Å; M252-Y258 HydrophobicContact SD-CG 4.04Å; Y258-C260 HydrophobicContact CD1-CB 4.16Å; Y258-C260 HydrophobicContact CE1-CB 3.56Å; Y258-L282 PolarHBondContact N-O 3.45Å; Y258-E283 HydrophobicContact CD1-CG 4.07Å; Y258-L284 PolarHBondContact O-N 2.76Å |
| 259 | L | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.7 | -178 | -57.9 | -172.9 | 0 | 0 | 0 | 109.8 | L100 I231 W232 F233 G234 A257 L284 F298 | L100-L259 HydrophobicContact CD1-CD1 3.76Å; I231-L259 HydrophobicContact CD1-CD1 4.42Å; I231-L259 HydrophobicContact CG2-CD1 3.74Å; I231-L259 HydrophobicContact CG2-CG 3.85Å; W232-L259 PolarHBondContact O-N 3.16Å; F233-L259 WeakPolarHBondContact CA-O 3.24Å; F233-L259 HydrophobicContact CB-CB 4.19Å; F233-L259 WeakPolarHBondContact CB-O 3.13Å; G234-L259 PolarHBondContact N-O 2.71Å; G234-L259 VanDerWaalsContact N-O 3.12Å; A257-L259 HydrophobicContact CB-CD2 4.08Å; L259-L284 HydrophobicContact CD2-CB 4.02Å; L259-L284 HydrophobicContact CD2-CD1 3.81Å; L259-L284 HydrophobicContact CD2-CG 4.38Å; L259-F298 HydrophobicContact CD1-CD1 4.38Å; L259-F298 HydrophobicContact CD1-CE1 4.4Å |
| 260 | C | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | -179.1 | -174.1 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | Q65 G234 Y258 L284 E285 V286 | Q65-C260 PolarHBondContact NE2-O 3.25Å; Q65-C260 VanDerWaalsContact NE2-O 3.1Å; G234-C260 VanDerWaalsContact O-CA 3.24Å; G234-C260 WeakPolarHBondContact O-CA 3.43Å; G234-C260 WeakPolarHBondContact O-CB 3.41Å; Y258-C260 HydrophobicContact CD1-CB 4.16Å; Y258-C260 HydrophobicContact CE1-CB 3.56Å; C260-L284 PolarHBondContact N-O 3Å; C260-L284 VanDerWaalsContact N-O 3.14Å; C260-E285 WeakPolarHBondContact O-CA 3.11Å; C260-V286 PolarHBondContact O-N 2.88Å |
| 261 | G | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -138.5 | -125.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S67 D68 H235 L263 E285 | S67-G261 WeakPolarHBondContact OG-CA 3.45Å; D68-G261 VanDerWaalsContact OD2-CA 3.31Å; D68-G261 WeakPolarHBondContact OD2-CA 3.32Å; H235-G261 CarbonylContact O-C 3.36Å; H235-G261 PolarHBondContact O-N 3.42Å; G261-L263 PolarHBondContact O-N 3.14Å; G261-E285 VanDerWaalsContact O-CG 3.27Å; G261-E285 WeakPolarHBondContact O-CG 3.5Å | ||
| 262 | H | 98.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 74 | -37.5 | 168.2 | -179.2 | 71.6 | 0 | 0 | 0 | 116.6 | D68 N147 F205 H235 F236 T240 H264 | D68-H262 WeakPolarHBondContact OD1-CA 3.41Å; D68-H262 PolarHBondContact OD1-N 3.43Å; D68-H262 VanDerWaalsContact OD1-N 3.14Å; D68-H262 PolarHBondContact OD2-N 3.42Å; N147-H262 PolarHBondContact OD1-CE1 3.29Å; N147-H262 VanDerWaalsContact OD1-CE1 3.29Å; N147-H262 PolarHBondContact OD1-ND1 2.96Å; F205-H262 AromaticContact CD1-NE2 4Å; F205-H262 AromaticContact CD2-CE1 3.83Å; F205-H262 AromaticContact CD2-NE2 3.94Å; F205-H262 AromaticContact CE1-NE2 3.67Å; F205-H262 AromaticContact CE2-CE1 3.75Å; F205-H262 AromaticContact CE2-NE2 3.61Å; F205-H262 AromaticContact CZ-NE2 3.46Å; F205-H262 WeakPolarHBondContact CZ-NE2 3.49Å; F205-H262 PolarHBondContact O-CE1 2.81Å; F205-H262 PolarHBondContact O-NE2 2.84Å; H235-H262 AromaticContact CD2-ND1 3.61Å; H235-H262 AromaticContact NE2-CG 3.67Å; H235-H262 AromaticContact NE2-ND1 3.09Å; H235-H262 PolarHBondContact NE2-ND1 3.49Å; H235-H262 VanDerWaalsContact O-CB 3.3Å; H235-H262 WeakPolarHBondContact O-CB 3.38Å; F236-H262 AromaticContact CD1-CE1 3.78Å; F236-H262 AromaticContact CD1-ND1 3.88Å; F236-H262 AromaticContact CD1-NE2 3.89Å; F236-H262 AromaticContact CE1-CE1 3.85Å; T240-H262 PolarHBondContact OG1-CD2 3.03Å; H262-H264 PolarHBondContact O-CD2 3.35Å; H262-H264 VanDerWaalsContact O-CD2 3.32Å |
| 263 | L | 96.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -89.9 | -11.4 | -179.5 | -65.4 | -173.6 | 0 | 0 | 0 | 113.7 | F205 T237 T240 G261 T265 L266 L273 I429 L430 | F205-L263 HydrophobicContact CZ-CD2 4.16Å; T237-L263 HydrophobicContact CG2-CD1 3.71Å; T237-L263 HydrophobicContact CG2-CG 3.77Å; T240-L263 HydrophobicContact CG2-CD2 4.2Å; G261-L263 PolarHBondContact O-N 3.14Å; L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 PolarHBondContact O-N 2.84Å; L263-L266 HydrophobicContact CB-CD2 4.47Å; L263-L266 WeakPolarHBondContact O-CA 3.49Å; L263-L266 PolarHBondContact O-N 2.94Å; L263-L273 HydrophobicContact CB-CD1 4.02Å; L263-L273 HydrophobicContact CD1-CD1 4.3Å; L263-I429 HydrophobicContact CD1-CG2 3.56Å; L263-L430 HydrophobicContact CD1-CD2 4.26Å |
| 264 | H | 95.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 13% | 0.13 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | 54 | 37.6 | 179.9 | -60.1 | -112 | 0 | 0 | 0 | 112.9 | D68 H70 H262 L266 G267 G268 E285 D288 | D68-H264 IonicContact OD1-CD2 3.77Å; D68-H264 IonicContact OD1-CE1 3.9Å; D68-H264 IonicContact OD1-NE2 2.78Å; D68-H264 PolarHBondContact OD1-NE2 3.38Å; H70-H264 AromaticContact CD2-CE1 3.54Å; H70-H264 AromaticContact NE2-CE1 3.11Å; H70-H264 PolarHBondContact NE2-CE1 3.46Å; H70-H264 AromaticContact NE2-NE2 3.33Å; H70-H264 PolarHBondContact NE2-NE2 3.05Å; H262-H264 PolarHBondContact O-CD2 3.35Å; H262-H264 VanDerWaalsContact O-CD2 3.32Å; H264-L266 PolarHBondContact O-N 2.58Å; H264-L266 VanDerWaalsContact O-N 3.1Å; H264-G267 WeakPolarHBondContact O-CA 3.27Å; H264-G267 PolarHBondContact O-N 2.71Å; H264-G268 PolarHBondContact O-N 2.99Å; H264-G268 VanDerWaalsContact O-N 3.16Å; H264-E285 WeakPolarHBondContact CA-OE1 2.88Å; H264-E285 PolarHBondContact N-OE1 3Å; H264-D288 HydrophobicContact CB-CB 3.94Å; H264-D288 WeakPolarHBondContact ND1-CB 3.16Å; H264-D288 VanDerWaalsContact ND1-CG 3.3Å; H264-D288 IonicContact ND1-OD1 3.42Å; H264-D288 IonicContact ND1-OD2 3.44Å |
| 265 | T | 92.9 | Very high | 94 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | 52.1 | 33.3 | -171.2 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | L263 G267 G268 L269 M270 E285 | L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 PolarHBondContact O-N 2.84Å; T265-G267 VanDerWaalsContact C-N 3.34Å; T265-G267 PolarHBondContact O-N 2.94Å; T265-G268 CarbonylContact O-C 3.53Å; T265-G268 PolarHBondContact O-N 3.33Å; T265-G268 VanDerWaalsContact O-N 3.11Å; T265-G268 WeakPolarHBondContact OG1-CA 3.44Å; T265-G268 PolarHBondContact OG1-N 3.1Å; T265-L269 PolarHBondContact O-N 2.99Å; T265-M270 WeakPolarHBondContact CB-O 3.45Å; T265-M270 WeakPolarHBondContact CG2-O 3.07Å; T265-M270 PolarHBondContact O-N 3.24Å; T265-E285 VanDerWaalsContact CG2-OE2 3.3Å; T265-E285 WeakPolarHBondContact CG2-OE2 3.37Å; T265-E285 PolarHBondContact N-OE1 2.92Å; T265-E285 PolarHBondContact N-OE2 3.47Å |
| 266 | L | 89.9 | Confident | 93.9 | Very high | 72 Ų | 72 | 28.9 Ų | 28.9 | 38% | 0.377 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | 53.3 | 45.4 | -169.1 | -60.2 | -175.4 | 0 | 0 | 0 | 113.6 | L263 H264 G268 L269 M270 L273 I429 | L263-L266 HydrophobicContact CB-CD2 4.47Å; L263-L266 WeakPolarHBondContact O-CA 3.49Å; L263-L266 PolarHBondContact O-N 2.94Å; H264-L266 PolarHBondContact O-N 2.58Å; H264-L266 VanDerWaalsContact O-N 3.1Å; L266-G268 VanDerWaalsContact C-N 3.31Å; L266-L269 HydrophobicContact CB-CB 4.38Å; L266-L269 WeakPolarHBondContact O-CB 3.41Å; L266-L269 WeakPolarHBondContact O-CG 3.33Å; L266-L269 PolarHBondContact O-N 2.73Å; L266-M270 HydrophobicContact CB-CB 4.43Å; L266-M270 HydrophobicContact CD1-CB 4.42Å; L266-M270 HydrophobicContact CG-CB 4.49Å; L266-L273 HydrophobicContact CG-CD1 4.41Å; L266-I429 HydrophobicContact CD1-CD1 3.58Å; L266-I429 HydrophobicContact CD1-CG1 4.5Å |
| 267 | G | 83.2 | Confident | 93.8 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 59% | 0.588 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | 68 | 31.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | H264 T265 L269 | H264-G267 WeakPolarHBondContact O-CA 3.27Å; H264-G267 PolarHBondContact O-N 2.71Å; T265-G267 VanDerWaalsContact C-N 3.34Å; T265-G267 PolarHBondContact O-N 2.94Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 3.17Å |
| 268 | G | 81.5 | Confident | 93.3 | Very high | 28 Ų | 28 | 34 Ų | 34 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H264 T265 L266 M270 | H264-G268 PolarHBondContact O-N 2.99Å; H264-G268 VanDerWaalsContact O-N 3.16Å; T265-G268 CarbonylContact O-C 3.53Å; T265-G268 PolarHBondContact O-N 3.33Å; T265-G268 VanDerWaalsContact O-N 3.11Å; T265-G268 WeakPolarHBondContact OG1-CA 3.44Å; T265-G268 PolarHBondContact OG1-N 3.1Å; L266-G268 VanDerWaalsContact C-N 3.31Å; G268-M270 PolarHBondContact O-N 2.99Å |
| 269 | L | 85.9 | Confident | 92.8 | Very high | 156 Ų | 156 | 37.2 Ų | 37.2 | 82% | 0.817 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -22.4 | 177.2 | -67.8 | 176.4 | 0 | 0 | 0 | 112.8 | T265 L266 G267 | T265-L269 PolarHBondContact O-N 2.99Å; L266-L269 HydrophobicContact CB-CB 4.38Å; L266-L269 WeakPolarHBondContact O-CB 3.41Å; L266-L269 WeakPolarHBondContact O-CG 3.33Å; L266-L269 PolarHBondContact O-N 2.73Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 3.17Å |
| 270 | M | 89.4 | Confident | 92.5 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -129 | 79.9 | -179.4 | -169.2 | 143.1 | -171.3 | 0 | 0 | 110.6 | T265 L266 G268 V272 L273 L425 A426 I429 | T265-M270 WeakPolarHBondContact CB-O 3.45Å; T265-M270 WeakPolarHBondContact CG2-O 3.07Å; T265-M270 PolarHBondContact O-N 3.24Å; L266-M270 HydrophobicContact CB-CB 4.43Å; L266-M270 HydrophobicContact CD1-CB 4.42Å; L266-M270 HydrophobicContact CG-CB 4.49Å; G268-M270 PolarHBondContact O-N 2.99Å; M270-V272 PolarHBondContact O-N 3.04Å; M270-L273 HydrophobicContact CB-CD2 4.19Å; M270-L273 HydrophobicContact CB-CG 4.29Å; M270-L273 HydrophobicContact CE-CD2 4.06Å; M270-L273 HydrophobicContact CG-CD2 3.58Å; M270-L273 HydrophobicContact CG-CG 3.98Å; M270-L273 HydrophobicContact SD-CD2 3.62Å; M270-L425 HydrophobicContact CE-CB 4.16Å; M270-L425 HydrophobicContact CE-CD2 4.49Å; M270-L425 HydrophobicContact CE-CG 4.26Å; M270-L425 HydrophobicContact SD-CD2 4.02Å; M270-L425 HydrophobicContact SD-CG 4.02Å; M270-A426 HydrophobicContact CE-CB 3.4Å; M270-A426 VanDerWaalsContact CE-CB 3.4Å; M270-I429 HydrophobicContact SD-CD1 3.51Å; M270-I429 VanDerWaalsContact SD-CD1 3.51Å |
| 271 | P | 87.7 | Confident | 92.4 | Very high | 81 Ų | 81 | 37.5 Ų | 37.5 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -58.1 | -16.1 | -167.9 | -26.4 | 34.5 | 0 | 0 | 0 | 116 | ||
| 272 | V | 94.6 | Very high | 92.4 | Very high | 76 Ų | 76 | 37.7 Ų | 37.7 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | trans | -132.2 | 111.3 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | M270 H274 | M270-V272 PolarHBondContact O-N 3.04Å; V272-H274 HydrophobicContact CG1-CB 4.25Å; V272-H274 WeakPolarHBondContact CG1-ND1 3.46Å | ||
| 273 | L | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -113.5 | 76.4 | 172.8 | -80.6 | -178.4 | 0 | 0 | 0 | 109.6 | L263 L266 M270 E285 A426 I429 L430 | L263-L273 HydrophobicContact CB-CD1 4.02Å; L263-L273 HydrophobicContact CD1-CD1 4.3Å; L266-L273 HydrophobicContact CG-CD1 4.41Å; M270-L273 HydrophobicContact CB-CD2 4.19Å; M270-L273 HydrophobicContact CB-CG 4.29Å; M270-L273 HydrophobicContact CE-CD2 4.06Å; M270-L273 HydrophobicContact CG-CD2 3.58Å; M270-L273 HydrophobicContact CG-CG 3.98Å; M270-L273 HydrophobicContact SD-CD2 3.62Å; L273-E285 HydrophobicContact CB-CB 3.87Å; L273-E285 HydrophobicContact CB-CG 4.48Å; L273-E285 WeakPolarHBondContact CB-OE2 3.42Å; L273-E285 WeakPolarHBondContact O-CB 3.32Å; L273-E285 PolarHBondContact O-N 2.89Å; L273-E285 VanDerWaalsContact O-N 3.1Å; L273-A426 HydrophobicContact CD2-CB 4.32Å; L273-I429 HydrophobicContact CD2-CB 4.38Å; L273-I429 HydrophobicContact CD2-CD1 3.95Å; L273-I429 HydrophobicContact CD2-CG2 4.2Å; L273-L430 HydrophobicContact CB-CD1 4.29Å; L273-L430 VanDerWaalsContact O-CD1 3.27Å; L273-L430 WeakPolarHBondContact O-CD1 3.19Å | ||
| 274 | H | 97.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.3 | 176.8 | -56.2 | 156.9 | 0 | 0 | 0 | 110.7 | V272 E283 L284 E285 R296 F307 D309 Y328 F422 A426 | V272-H274 HydrophobicContact CG1-CB 4.25Å; V272-H274 WeakPolarHBondContact CG1-ND1 3.46Å; H274-E283 WeakPolarHBondContact CA-O 3.4Å; H274-L284 HydrophobicContact CB-CD2 3.75Å; H274-E285 PolarHBondContact NE2-O 3.45Å; H274-R296 PolarHBondContact NE2-NH2 3.46Å; H274-F307 AromaticContact CE1-CE2 3.66Å; H274-D309 IonicContact CE1-OD2 3.99Å; H274-D309 PolarHBondContact CE1-OD2 3.15Å; H274-D309 VanDerWaalsContact CE1-OD2 3.25Å; H274-D309 IonicContact NE2-OD2 3.88Å; H274-D309 PolarHBondContact NE2-OD2 3.26Å; H274-Y328 HydrophobicContact CB-CE1 4.09Å; H274-Y328 AromaticContact ND1-CE1 3.73Å; H274-Y328 AromaticContact ND1-CZ 3.66Å; H274-Y328 PolarHBondContact ND1-OH 3.02Å; H274-F422 HydrophobicContact CB-CD1 4.15Å; H274-F422 HydrophobicContact CB-CE1 4.06Å; H274-F422 WeakPolarHBondContact O-CD1 3.24Å; H274-A426 WeakPolarHBondContact O-CB 3.25Å |
| 275 | T | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 179.7 | 171.1 | -163.7 | 0 | 0 | 0 | 0 | 111 | E283 S427 L430 R431 | T275-E283 HydrophobicContact CG2-CB 4Å; T275-E283 PolarHBondContact N-O 3.44Å; T275-E283 PolarHBondContact O-N 3.26Å; T275-S427 WeakPolarHBondContact OG1-CB 3.4Å; T275-S427 PolarHBondContact OG1-OG 2.8Å; T275-L430 HydrophobicContact CG2-CB 3.59Å; T275-L430 HydrophobicContact CG2-CD1 3.83Å; T275-L430 HydrophobicContact CG2-CG 4.38Å; T275-R431 HydrophobicContact CG2-CG 3.74Å |
| 276 | R | 95.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.1 | 172.4 | -178.7 | -179.7 | -68.1 | 144.4 | 7.8 | 109.8 | G280 T281 L282 L327 S329 F422 R431 | R276-G280 WeakPolarHBondContact CG-O 3.43Å; R276-T281 WeakPolarHBondContact CA-O 3.33Å; R276-L282 HydrophobicContact CB-CD2 4.31Å; R276-L327 PolarHBondContact NH2-O 2.87Å; R276-S329 PolarHBondContact NH2-O 3.37Å; R276-F422 HydrophobicContact CB-CD2 3.99Å; R276-F422 HydrophobicContact CB-CE2 3.49Å; R276-F422 VanDerWaalsContact CB-CE2 3.49Å; R276-F422 HydrophobicContact CB-CZ 4.17Å; R276-R431 WeakPolarHBondContact O-CD 3.38Å |
| 277 | H | 94 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | trans | -69.4 | 158.9 | 172.5 | -61.9 | 172 | 0 | 0 | 0 | 110.9 | Q279 G280 T281 E283 | H277-Q279 PolarHBondContact O-N 3.09Å; H277-Q279 VanDerWaalsContact O-N 3.07Å; H277-G280 PolarHBondContact O-N 2.95Å; H277-T281 PolarHBondContact N-O 3.29Å; H277-E283 IonicContact CD2-OE2 2.76Å; H277-E283 IonicContact CE1-OE2 2.84Å; H277-E283 WeakPolarHBondContact NE2-CB 2.93Å; H277-E283 IonicContact NE2-OE2 2.68Å; H277-E283 PolarHBondContact NE2-OE2 3.32Å | ||
| 278 | F | 88.6 | Confident | 93.9 | Very high | 111 Ų | 111 | 28.9 Ų | 28.9 | 49% | 0.487 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.4 | 179.3 | -69 | -70.6 | 0 | 0 | 0 | 113.4 | H30 G280 | H30-F278 HydrophobicContact CB-CZ 4.37Å; H30-F278 AromaticContact CE1-CE2 3.31Å; H30-F278 WeakPolarHBondContact CE1-CE2 3.42Å; H30-F278 AromaticContact CE1-CZ 3.44Å; H30-F278 VanDerWaalsContact CE1-CZ 3.44Å; H30-F278 WeakPolarHBondContact CE1-CZ 3.31Å; H30-F278 AromaticContact CG-CZ 3.66Å; H30-F278 AromaticContact ND1-CE2 3.63Å; H30-F278 AromaticContact ND1-CZ 3.26Å; H30-F278 VanDerWaalsContact ND1-CZ 3.26Å; H30-F278 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F278 AromaticContact NE2-CE2 3.85Å; H30-F278 AromaticContact NE2-CZ 3.91Å; H30-F278 WeakPolarHBondContact O-CZ 3.48Å; F278-G280 VanDerWaalsContact C-N 3.29Å; F278-G280 PolarHBondContact O-N 3.48Å |
| 279 | Q | 89.6 | Confident | 94.7 | Very high | 67 Ų | 67 | 27.6 Ų | 27.6 | 31% | 0.313 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.5 | 179.9 | -62.8 | 79.2 | 7.8 | 0 | 0 | 114 | H277 K332 H333 | H277-Q279 PolarHBondContact O-N 3.09Å; H277-Q279 VanDerWaalsContact O-N 3.07Å; Q279-K332 WeakPolarHBondContact O-CD 3.43Å; Q279-K332 PolarHBondContact O-NZ 3.02Å; Q279-H333 PolarHBondContact O-NE2 3.28Å |
| 280 | G | 91.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 22 Ų | 22 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 106.4 | -16.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R276 H277 F278 L282 | R276-G280 WeakPolarHBondContact CG-O 3.43Å; H277-G280 PolarHBondContact O-N 2.95Å; F278-G280 VanDerWaalsContact C-N 3.29Å; F278-G280 PolarHBondContact O-N 3.48Å; G280-L282 PolarHBondContact O-N 3.14Å |
| 281 | T | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -63.2 | 130.6 | 179.6 | -56 | 0 | 0 | 0 | 0 | 110.9 | M252 A255 R276 H277 | M252-T281 HydrophobicContact CG-CG2 4.36Å; M252-T281 PolarHBondContact O-OG1 3.2Å; M252-T281 VanDerWaalsContact O-OG1 3.09Å; M252-T281 HydrophobicContact SD-CG2 4.34Å; A255-T281 HydrophobicContact CB-CG2 3.98Å; A255-T281 WeakPolarHBondContact O-CB 3.44Å; A255-T281 WeakPolarHBondContact O-CG2 2.94Å; A255-T281 PolarHBondContact O-OG1 2.97Å; R276-T281 WeakPolarHBondContact CA-O 3.33Å; H277-T281 PolarHBondContact N-O 3.29Å | ||
| 282 | L | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139 | 173.2 | -63.2 | 172.7 | 0 | 0 | 0 | 109.8 | I256 A257 Y258 R276 G280 L284 F305 Y328 F422 | I256-L282 PolarHBondContact O-N 2.91Å; A257-L282 CarbonylContact C-O 3.52Å; A257-L282 VanDerWaalsContact CA-O 3.29Å; A257-L282 WeakPolarHBondContact CA-O 3.35Å; A257-L282 HydrophobicContact CB-CB 4.06Å; Y258-L282 PolarHBondContact N-O 3.45Å; R276-L282 HydrophobicContact CB-CD2 4.31Å; G280-L282 PolarHBondContact O-N 3.14Å; L282-L284 HydrophobicContact CB-CD1 4.25Å; L282-L284 HydrophobicContact CB-CD2 4.07Å; L282-L284 HydrophobicContact CB-CG 3.97Å; L282-L284 HydrophobicContact CD1-CD1 4.42Å; L282-F305 HydrophobicContact CD1-CD1 4.41Å; L282-F305 HydrophobicContact CD1-CE1 4.37Å; L282-Y328 HydrophobicContact CD1-CD1 4.3Å; L282-Y328 HydrophobicContact CD2-CD1 4.17Å; L282-F422 HydrophobicContact CD2-CE2 4.45Å; L282-F422 HydrophobicContact CD2-CZ 3.73Å |
| 283 | E | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.9 | 164.7 | 172 | 168.3 | -171.4 | 0 | 0 | 108.2 | T237 T238 Y258 H274 T275 H277 L430 | T237-E283 WeakPolarHBondContact CA-OE1 3.28Å; T237-E283 WeakPolarHBondContact CB-OE1 3.46Å; T238-E283 PolarHBondContact N-OE1 3.07Å; T238-E283 PolarHBondContact OG1-OE1 3.11Å; T238-E283 PolarHBondContact OG1-OE2 2.92Å; Y258-E283 HydrophobicContact CD1-CG 4.07Å; H274-E283 WeakPolarHBondContact CA-O 3.4Å; T275-E283 HydrophobicContact CG2-CB 4Å; T275-E283 PolarHBondContact N-O 3.44Å; T275-E283 PolarHBondContact O-N 3.26Å; H277-E283 IonicContact CD2-OE2 2.76Å; H277-E283 IonicContact CE1-OE2 2.84Å; H277-E283 WeakPolarHBondContact NE2-CB 2.93Å; H277-E283 IonicContact NE2-OE2 2.68Å; H277-E283 PolarHBondContact NE2-OE2 3.32Å; E283-L430 HydrophobicContact CG-CD1 4.44Å |
| 284 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 93.9 | -168.3 | -53.1 | 176.1 | 0 | 0 | 0 | 108.8 | A257 Y258 L259 C260 H274 L282 R296 F305 F307 Y328 | A257-L284 HydrophobicContact CB-CD1 4.2Å; Y258-L284 PolarHBondContact O-N 2.76Å; L259-L284 HydrophobicContact CD2-CB 4.02Å; L259-L284 HydrophobicContact CD2-CD1 3.81Å; L259-L284 HydrophobicContact CD2-CG 4.38Å; C260-L284 PolarHBondContact N-O 3Å; C260-L284 VanDerWaalsContact N-O 3.14Å; H274-L284 HydrophobicContact CB-CD2 3.75Å; L282-L284 HydrophobicContact CB-CD1 4.25Å; L282-L284 HydrophobicContact CB-CD2 4.07Å; L282-L284 HydrophobicContact CB-CG 3.97Å; L282-L284 HydrophobicContact CD1-CD1 4.42Å; L284-R296 PolarHBondContact O-NH1 2.97Å; L284-F305 HydrophobicContact CD1-CE1 4.16Å; L284-F307 HydrophobicContact CD1-CD1 3.88Å; L284-F307 HydrophobicContact CD1-CD2 4.38Å; L284-F307 HydrophobicContact CD1-CE1 3.46Å; L284-F307 VanDerWaalsContact CD1-CE1 3.46Å; L284-F307 HydrophobicContact CD1-CE2 4Å; L284-F307 HydrophobicContact CD1-CG 4.32Å; L284-F307 HydrophobicContact CD1-CZ 3.52Å; L284-F307 HydrophobicContact CD2-CE1 4.09Å; L284-F307 HydrophobicContact CD2-CE2 4.31Å; L284-F307 HydrophobicContact CD2-CZ 3.57Å; L284-F307 HydrophobicContact CG-CE1 4.44Å; L284-F307 HydrophobicContact CG-CZ 4.14Å; L284-Y328 HydrophobicContact CD2-CD1 4.3Å; L284-Y328 HydrophobicContact CD2-CE1 4.09Å |
| 285 | E | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.2 | 167.3 | -169.9 | -95.3 | -178 | 0 | 0 | 108.2 | T237 C260 G261 H264 T265 L273 H274 R296 | T237-E285 HydrophobicContact CG2-CB 4.49Å; T237-E285 HydrophobicContact CG2-CG 4.34Å; C260-E285 WeakPolarHBondContact O-CA 3.11Å; G261-E285 VanDerWaalsContact O-CG 3.27Å; G261-E285 WeakPolarHBondContact O-CG 3.5Å; H264-E285 WeakPolarHBondContact CA-OE1 2.88Å; H264-E285 PolarHBondContact N-OE1 3Å; T265-E285 VanDerWaalsContact CG2-OE2 3.3Å; T265-E285 WeakPolarHBondContact CG2-OE2 3.37Å; T265-E285 PolarHBondContact N-OE1 2.92Å; T265-E285 PolarHBondContact N-OE2 3.47Å; L273-E285 HydrophobicContact CB-CB 3.87Å; L273-E285 HydrophobicContact CB-CG 4.48Å; L273-E285 WeakPolarHBondContact CB-OE2 3.42Å; L273-E285 WeakPolarHBondContact O-CB 3.32Å; L273-E285 PolarHBondContact O-N 2.89Å; L273-E285 VanDerWaalsContact O-N 3.1Å; H274-E285 PolarHBondContact NE2-O 3.45Å; E285-R296 PolarHBondContact O-NH2 3.08Å |
| 286 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 138 | 169.7 | 70.2 | 0 | 0 | 0 | 0 | 107.8 | Q65 C260 R296 | Q65-V286 HydrophobicContact CG-CG1 4.17Å; C260-V286 PolarHBondContact O-N 2.88Å; V286-R296 HydrophobicContact CG2-CB 3.91Å |
| 287 | G | 96.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 162 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R294 | G287-R294 VanDerWaalsContact O-CB 3.28Å; G287-R294 WeakPolarHBondContact O-CB 3.23Å |
| 288 | D | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -79 | 149.4 | -169.5 | 65.2 | 110.4 | 0 | 0 | 0 | 113.9 | D68 H264 K290 D291 N292 R293 R294 | D68-D288 HydrophobicContact CB-CB 3.64Å; H264-D288 HydrophobicContact CB-CB 3.94Å; H264-D288 WeakPolarHBondContact ND1-CB 3.16Å; H264-D288 VanDerWaalsContact ND1-CG 3.3Å; H264-D288 IonicContact ND1-OD1 3.42Å; H264-D288 IonicContact ND1-OD2 3.44Å; D288-K290 HydrophobicContact CB-CB 4.4Å; D288-K290 WeakPolarHBondContact OD1-CB 3.31Å; D288-K290 PolarHBondContact OD1-N 2.94Å; D288-D291 PolarHBondContact OD1-N 3.02Å; D288-N292 CarbonylContact O-C 3.5Å; D288-N292 PolarHBondContact OD1-N 2.93Å; D288-N292 PolarHBondContact OD2-ND2 2.85Å; D288-R293 PolarHBondContact O-N 3.35Å; D288-R294 PolarHBondContact O-N 2.87Å; D288-R294 VanDerWaalsContact O-N 3.07Å |
| 289 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71 | -40.3 | 166.4 | -177.8 | -95 | 0 | 0 | 0 | 111.5 | I66 S67 D68 I69 R79 D82 L83 F86 D291 R293 F312 | I66-W289 HydrophobicContact CD1-CB 4.26Å; I66-W289 HydrophobicContact CD1-CD2 3.56Å; I66-W289 HydrophobicContact CD1-CE3 3.33Å; I66-W289 HydrophobicContact CD1-CG 3.99Å; I66-W289 HydrophobicContact CD1-CZ3 3.87Å; I66-W289 HydrophobicContact CG1-CB 4.15Å; I66-W289 HydrophobicContact CG1-CD2 4.28Å; I66-W289 HydrophobicContact CG1-CE3 3.93Å; I66-W289 HydrophobicContact CG1-CG 4.41Å; S67-W289 VanDerWaalsContact O-CB 3.32Å; S67-W289 WeakPolarHBondContact O-CB 3.25Å; S67-W289 PolarHBondContact O-N 2.86Å; D68-W289 PolarHBondContact O-N 3.23Å; I69-W289 HydrophobicContact CG1-CB 4.49Å; R79-W289 PolarHBondContact O-NE1 2.9Å; D82-W289 VanDerWaalsContact C-CZ2 3.45Å; D82-W289 HydrophobicContact CB-CH2 4.36Å; D82-W289 HydrophobicContact CB-CZ2 3.6Å; L83-W289 HydrophobicContact CB-CZ2 4.21Å; F86-W289 HydrophobicContact CB-CH2 3.75Å; F86-W289 HydrophobicContact CB-CZ2 4.38Å; F86-W289 HydrophobicContact CB-CZ3 4.46Å; F86-W289 HydrophobicContact CD2-CH2 4.18Å; F86-W289 HydrophobicContact CD2-CZ3 4.11Å; F86-W289 HydrophobicContact CG-CH2 4.11Å; F86-W289 HydrophobicContact CG-CZ3 4.34Å; W289-D291 PolarHBondContact O-N 3.45Å; W289-R293 VanDerWaalsContact CE2-CD 3.49Å; W289-R293 WeakPolarHBondContact O-CA 3.28Å; W289-R293 WeakPolarHBondContact O-CD 3.38Å; W289-R293 PolarHBondContact O-N 3.04Å; W289-R293 PolarHBondContact O-NH1 3.05Å; W289-F312 HydrophobicContact CH2-CB 3.86Å; W289-F312 AromaticContact CH2-CD1 3.86Å; W289-F312 HydrophobicContact CH2-CD1 3.86Å; W289-F312 AromaticContact CH2-CD2 3.79Å; W289-F312 HydrophobicContact CH2-CD2 3.79Å; W289-F312 HydrophobicContact CH2-CE1 4.36Å; W289-F312 HydrophobicContact CH2-CE2 4.31Å; W289-F312 AromaticContact CH2-CG 3.54Å; W289-F312 HydrophobicContact CH2-CG 3.54Å; W289-F312 HydrophobicContact CZ2-CD1 4.46Å; W289-F312 HydrophobicContact CZ3-CB 3.81Å; W289-F312 HydrophobicContact CZ3-CD2 4.24Å; W289-F312 AromaticContact CZ3-CG 3.98Å; W289-F312 HydrophobicContact CZ3-CG 3.98Å |
| 290 | K | 97.4 | Very high | 97.5 | Very high | 38 Ų | 38 | 14.2 Ų | 14.2 | 17% | 0.165 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -45.2 | -49.3 | -171.3 | 174.9 | -171 | 163.9 | -116.1 | 0 | 116.2 | D68 H70 R79 D288 R293 | D68-K290 VanDerWaalsContact O-CB 3.29Å; D68-K290 WeakPolarHBondContact O-CB 3.34Å; D68-K290 PolarHBondContact O-N 2.91Å; H70-K290 HydrophobicContact CB-CB 3.99Å; H70-K290 HydrophobicContact CB-CD 3.88Å; H70-K290 HydrophobicContact CB-CG 3.8Å; R79-K290 VanDerWaalsContact CZ-CG 3.41Å; R79-K290 PolarHBondContact NE-O 3.39Å; D288-K290 HydrophobicContact CB-CB 4.4Å; D288-K290 WeakPolarHBondContact OD1-CB 3.31Å; D288-K290 PolarHBondContact OD1-N 2.94Å; K290-R293 PolarHBondContact O-NH1 3.25Å |
| 291 | D | 95.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 14 Ų | 14 | 49% | 0.487 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -120.6 | -32.1 | -176.3 | -60.1 | -39.4 | 0 | 0 | 0 | 111.1 | R79 D288 W289 | R79-D291 IonicContact NH2-OD1 3.14Å; R79-D291 PolarHBondContact NH2-OD1 3.11Å; D288-D291 PolarHBondContact OD1-N 3.02Å; W289-D291 PolarHBondContact O-N 3.45Å |
| 292 | N | 95.7 | Very high | 97.8 | Very high | 56 Ų | 56 | 14.5 Ų | 14.5 | 30% | 0.299 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -104.9 | -5.4 | -173.1 | -64.7 | -69.2 | 0 | 0 | 0 | 114.8 | D288 R294 | D288-N292 CarbonylContact O-C 3.5Å; D288-N292 PolarHBondContact OD1-N 2.93Å; D288-N292 PolarHBondContact OD2-ND2 2.85Å; N292-R294 HydrophobicContact CB-CG 3.7Å; N292-R294 PolarHBondContact O-N 2.81Å; N292-R294 VanDerWaalsContact O-N 3.13Å |
| 293 | R | 97.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 14.8 Ų | 14.8 | 11% | 0.113 | 7% | 0.071 | C | C | . | . | trans | 46 | 42 | -177.5 | -59.4 | -69.7 | -175.5 | -78.5 | -11.3 | 112.8 | D76 R79 D82 D288 W289 K290 F312 | D76-R293 IonicContact OD1-NH2 3.65Å; D76-R293 IonicContact OD2-CZ 3.62Å; D76-R293 IonicContact OD2-NH1 3.84Å; D76-R293 IonicContact OD2-NH2 3.43Å; D76-R293 PolarHBondContact OD2-NH2 2.98Å; R79-R293 VanDerWaalsContact N-NH2 3.13Å; D82-R293 IonicContact OD2-CZ 3.73Å; D82-R293 IonicContact OD2-NE 3.72Å; D82-R293 PolarHBondContact OD2-NE 3.05Å; D82-R293 IonicContact OD2-NH2 3.76Å; D82-R293 PolarHBondContact OD2-NH2 2.92Å; D288-R293 PolarHBondContact O-N 3.35Å; W289-R293 VanDerWaalsContact CE2-CD 3.49Å; W289-R293 WeakPolarHBondContact O-CA 3.28Å; W289-R293 WeakPolarHBondContact O-CD 3.38Å; W289-R293 PolarHBondContact O-N 3.04Å; W289-R293 PolarHBondContact O-NH1 3.05Å; K290-R293 PolarHBondContact O-NH1 3.25Å; R293-F312 HydrophobicContact CB-CB 3.83Å; R293-F312 VanDerWaalsContact O-CB 3.28Å; R293-F312 WeakPolarHBondContact O-CB 3.41Å; R293-F312 PolarHBondContact O-N 3.28Å | ||
| 294 | R | 97.7 | Very high | 97.6 | Very high | 65 Ų | 65 | 14.8 Ų | 14.8 | 25% | 0.245 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 149.5 | 179.8 | -65 | -72.3 | -169.3 | 167.5 | 4.8 | 110.6 | G287 D288 N292 L310 | G287-R294 VanDerWaalsContact O-CB 3.28Å; G287-R294 WeakPolarHBondContact O-CB 3.23Å; D288-R294 PolarHBondContact O-N 2.87Å; D288-R294 VanDerWaalsContact O-N 3.07Å; N292-R294 HydrophobicContact CB-CG 3.7Å; N292-R294 PolarHBondContact O-N 2.81Å; N292-R294 VanDerWaalsContact O-N 3.13Å; R294-L310 VanDerWaalsContact CA-O 3.3Å; R294-L310 WeakPolarHBondContact CA-O 3.3Å; R294-L310 WeakPolarHBondContact CD-O 3.27Å |
| 295 | Y | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 166.9 | 169.1 | 73.2 | -76.4 | 0 | 0 | 0 | 108.6 | L64 Q65 F86 T90 I94 L310 V317 | L64-Y295 HydrophobicContact CD2-CD2 4.18Å; L64-Y295 HydrophobicContact CD2-CE2 4.07Å; Q65-Y295 CarbonylContact O-C 3.55Å; Q65-Y295 WeakPolarHBondContact O-CA 3.35Å; Q65-Y295 WeakPolarHBondContact O-CB 3.39Å; F86-Y295 HydrophobicContact CE2-CD1 4.27Å; F86-Y295 AromaticContact CE2-CD2 3.76Å; F86-Y295 HydrophobicContact CE2-CD2 3.76Å; F86-Y295 HydrophobicContact CE2-CE2 4.07Å; F86-Y295 AromaticContact CE2-CG 3.85Å; F86-Y295 HydrophobicContact CE2-CG 3.85Å; F86-Y295 HydrophobicContact CZ-CD2 4.25Å; F86-Y295 HydrophobicContact CZ-CG 4.49Å; T90-Y295 HydrophobicContact CG2-CE2 4.45Å; I94-Y295 HydrophobicContact CD1-CE2 4.25Å; Y295-L310 HydrophobicContact CD1-CB 3.96Å; Y295-L310 HydrophobicContact CD2-CD1 4.35Å; Y295-L310 HydrophobicContact CE1-CB 3.51Å; Y295-L310 HydrophobicContact CE1-CD1 4.3Å; Y295-L310 HydrophobicContact CE2-CB 4.15Å; Y295-L310 HydrophobicContact CE2-CD1 3.55Å; Y295-L310 HydrophobicContact CE2-CG 4.46Å; Y295-L310 HydrophobicContact CG-CB 4.43Å; Y295-L310 PolarHBondContact N-O 2.78Å; Y295-L310 VanDerWaalsContact N-O 3.11Å; Y295-L310 PolarHBondContact O-N 2.83Å; Y295-L310 WeakPolarHBondContact OH-CD1 3.44Å; Y295-V317 WeakPolarHBondContact OH-CG2 3.26Å |
| 296 | R | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140 | 179.4 | 168 | 179.4 | -63.8 | 147.3 | 1.4 | 110.3 | L64 Q65 H274 L284 E285 V286 F307 A308 D309 | L64-R296 CarbonylContact C-O 3.59Å; L64-R296 WeakPolarHBondContact CA-O 3.47Å; Q65-R296 HydrophobicContact CB-CB 4.18Å; Q65-R296 PolarHBondContact N-O 3.01Å; Q65-R296 PolarHBondContact O-N 3.05Å; H274-R296 PolarHBondContact NE2-NH2 3.46Å; L284-R296 PolarHBondContact O-NH1 2.97Å; E285-R296 PolarHBondContact O-NH2 3.08Å; V286-R296 HydrophobicContact CG2-CB 3.91Å; R296-F307 HydrophobicContact CG-CB 4.25Å; R296-F307 HydrophobicContact CG-CD2 4.21Å; R296-A308 WeakPolarHBondContact CA-O 3.45Å; R296-D309 WeakPolarHBondContact CB-OD1 3.39Å; R296-D309 IonicContact CZ-OD1 2.8Å; R296-D309 VanDerWaalsContact CZ-OD1 3.22Å; R296-D309 IonicContact NE-OD1 2.72Å; R296-D309 PolarHBondContact NE-OD1 3.29Å; R296-D309 IonicContact NH2-OD1 3.58Å; R296-D309 PolarHBondContact NH2-OD1 3.16Å; R296-D309 IonicContact NH2-OD2 3.48Å; R296-D309 PolarHBondContact NH2-OD2 2.92Å |
| 297 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.3 | 160.5 | -173.6 | 168.2 | 0 | 0 | 0 | 108.9 | L64 I94 F307 A308 L310 V317 L319 F350 | L64-I297 HydrophobicContact CD2-CB 3.74Å; L64-I297 HydrophobicContact CD2-CD1 4.44Å; L64-I297 HydrophobicContact CD2-CG1 3.88Å; I94-I297 HydrophobicContact CG2-CD1 4.38Å; I297-F307 CarbonylContact O-C 3.53Å; I297-F307 WeakPolarHBondContact O-CA 3.3Å; I297-F307 VanDerWaalsContact O-CB 3.24Å; I297-F307 WeakPolarHBondContact O-CB 3.4Å; I297-A308 HydrophobicContact CG2-CB 4Å; I297-A308 PolarHBondContact N-O 3.31Å; I297-A308 PolarHBondContact O-N 2.74Å; I297-L310 HydrophobicContact CB-CD1 4Å; I297-L310 HydrophobicContact CG2-CD1 3.61Å; I297-L310 HydrophobicContact CG2-CG 4.3Å; I297-V317 HydrophobicContact CD1-CG1 4.42Å; I297-L319 HydrophobicContact CG1-CD2 4.32Å; I297-L319 HydrophobicContact CG2-CB 4.37Å; I297-L319 HydrophobicContact CG2-CD2 4.3Å; I297-F350 HydrophobicContact CD1-CD2 4.26Å; I297-F350 HydrophobicContact CD1-CE2 3.49Å; I297-F350 VanDerWaalsContact CD1-CE2 3.49Å; I297-F350 HydrophobicContact CD1-CZ 4.02Å |
| 298 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.5 | 170.8 | 66.7 | -93.4 | 0 | 0 | 0 | 110.7 | W62 G63 L98 L100 F188 I231 L259 F305 S306 F307 | W62-F298 CarbonylContact C-O 3.39Å; W62-F298 WeakPolarHBondContact CA-O 3.46Å; W62-F298 VanDerWaalsContact CB-O 3.23Å; W62-F298 WeakPolarHBondContact CB-O 3.39Å; G63-F298 VanDerWaalsContact C-CE1 3.45Å; G63-F298 PolarHBondContact N-O 3.01Å; G63-F298 WeakPolarHBondContact O-CD1 3.01Å; G63-F298 PolarHBondContact O-N 3.08Å; L98-F298 HydrophobicContact CD1-CZ 4.12Å; L98-F298 HydrophobicContact CG-CZ 4.36Å; L100-F298 HydrophobicContact CD1-CE1 4.22Å; L100-F298 HydrophobicContact CD1-CZ 4.32Å; F188-F298 HydrophobicContact CE1-CE2 4.09Å; F188-F298 HydrophobicContact CE1-CZ 4.02Å; F188-F298 HydrophobicContact CZ-CE2 4.29Å; I231-F298 HydrophobicContact CD1-CD2 4.3Å; I231-F298 HydrophobicContact CD1-CE2 4.2Å; L259-F298 HydrophobicContact CD1-CD1 4.38Å; L259-F298 HydrophobicContact CD1-CE1 4.4Å; F298-F305 HydrophobicContact CB-CE2 3.74Å; F298-F305 HydrophobicContact CB-CZ 4.13Å; F298-F305 HydrophobicContact CD2-CE2 4.03Å; F298-F305 HydrophobicContact CG-CE2 4.15Å; F298-S306 CarbonylContact C-O 3.56Å; F298-S306 VanDerWaalsContact CA-O 3.29Å; F298-S306 WeakPolarHBondContact CA-O 3.24Å; F298-F307 HydrophobicContact CB-CB 3.79Å |
| 299 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | F61 W62 F305 S306 L319 T321 L348 | F61-A299 VanDerWaalsContact O-CA 3.3Å; F61-A299 WeakPolarHBondContact O-CA 3.37Å; W62-A299 HydrophobicContact CB-CB 3.93Å; A299-F305 WeakPolarHBondContact O-CA 3.28Å; A299-S306 PolarHBondContact N-O 2.93Å; A299-S306 PolarHBondContact O-N 2.87Å; A299-L319 HydrophobicContact CB-CD2 3.79Å; A299-T321 HydrophobicContact CB-CG2 4.04Å; A299-L348 HydrophobicContact CB-CD1 3.89Å |
| 300 | F | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.8 | 159.5 | -70.4 | -88.3 | 0 | 0 | 0 | 107.4 | I60 F61 Y186 H229 I231 I256 L304 F305 | I60-F300 VanDerWaalsContact CA-O 3.27Å; I60-F300 WeakPolarHBondContact CA-O 3.4Å; F61-F300 HydrophobicContact CD1-CB 4.17Å; F61-F300 HydrophobicContact CE1-CB 3.69Å; F61-F300 AromaticContact CE1-CD2 3.66Å; F61-F300 HydrophobicContact CE1-CD2 3.66Å; F61-F300 AromaticContact CE1-CG 4Å; F61-F300 HydrophobicContact CE1-CG 4Å; F61-F300 HydrophobicContact CE2-CD2 4.08Å; F61-F300 HydrophobicContact CZ-CB 4.25Å; F61-F300 AromaticContact CZ-CD2 3.31Å; F61-F300 HydrophobicContact CZ-CD2 3.31Å; F61-F300 AromaticContact CZ-CE2 3.98Å; F61-F300 HydrophobicContact CZ-CE2 3.98Å; F61-F300 HydrophobicContact CZ-CG 4.13Å; F61-F300 PolarHBondContact N-O 3.04Å; F61-F300 VanDerWaalsContact N-O 3.12Å; F61-F300 PolarHBondContact O-N 2.93Å; Y186-F300 HydrophobicContact CD1-CB 4.4Å; Y186-F300 HydrophobicContact CD1-CD1 4.09Å; Y186-F300 AromaticContact CD1-CD2 3.89Å; Y186-F300 HydrophobicContact CD1-CD2 3.89Å; Y186-F300 HydrophobicContact CD1-CE1 4.3Å; Y186-F300 HydrophobicContact CD1-CE2 4.08Å; Y186-F300 AromaticContact CD1-CG 3.86Å; Y186-F300 HydrophobicContact CD1-CG 3.86Å; Y186-F300 HydrophobicContact CD1-CZ 4.27Å; Y186-F300 HydrophobicContact CE1-CB 3.8Å; Y186-F300 AromaticContact CE1-CD1 3.8Å; Y186-F300 HydrophobicContact CE1-CD1 3.8Å; Y186-F300 HydrophobicContact CE1-CD2 4.14Å; Y186-F300 HydrophobicContact CE1-CE1 4.39Å; Y186-F300 AromaticContact CE1-CG 3.64Å; Y186-F300 HydrophobicContact CE1-CG 3.64Å; H229-F300 HydrophobicContact CB-CD1 4.41Å; H229-F300 HydrophobicContact CB-CE1 3.55Å; H229-F300 HydrophobicContact CB-CZ 3.8Å; H229-F300 AromaticContact CD2-CD1 3.68Å; H229-F300 AromaticContact CD2-CE1 3.58Å; H229-F300 AromaticContact CG-CD1 3.99Å; H229-F300 AromaticContact CG-CE1 3.39Å; H229-F300 AromaticContact ND1-CE1 3.96Å; I231-F300 HydrophobicContact CD1-CE2 3.6Å; I231-F300 HydrophobicContact CD1-CZ 3.72Å; I231-F300 HydrophobicContact CG1-CE2 4.35Å; I231-F300 HydrophobicContact CG1-CZ 4.04Å; I256-F300 HydrophobicContact CG2-CE1 4.23Å; I256-F300 HydrophobicContact CG2-CZ 3.95Å; F300-L304 WeakPolarHBondContact CA-O 3.46Å; F300-F305 HydrophobicContact CD1-CB 4.1Å; F300-F305 HydrophobicContact CD1-CD2 4.32Å; F300-F305 HydrophobicContact CD2-CD2 4.37Å; F300-F305 HydrophobicContact CE1-CB 3.82Å; F300-F305 AromaticContact CE1-CD2 3.85Å; F300-F305 HydrophobicContact CE1-CD2 3.85Å; F300-F305 HydrophobicContact CE1-CG 4.21Å; F300-F305 AromaticContact CE2-CD2 3.92Å; F300-F305 HydrophobicContact CE2-CD2 3.92Å; F300-F305 HydrophobicContact CE2-CE2 4.37Å; F300-F305 HydrophobicContact CZ-CB 4.46Å; F300-F305 AromaticContact CZ-CD2 3.64Å; F300-F305 HydrophobicContact CZ-CD2 3.64Å; F300-F305 HydrophobicContact CZ-CE2 4.3Å; F300-F305 HydrophobicContact CZ-CG 4.37Å |
| 301 | D | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 104.5 | 177.7 | -172.3 | 0.4 | 0 | 0 | 0 | 108.4 | I60 D303 L304 T321 R346 | I60-D301 HydrophobicContact CB-CB 4.5Å; I60-D301 HydrophobicContact CD1-CB 3.86Å; I60-D301 HydrophobicContact CG1-CB 3.98Å; D301-D303 VanDerWaalsContact C-N 3.32Å; D301-D303 PolarHBondContact O-N 2.93Å; D301-L304 PolarHBondContact N-O 2.9Å; D301-L304 VanDerWaalsContact O-CB 3.3Å; D301-L304 WeakPolarHBondContact O-CB 3.37Å; D301-L304 PolarHBondContact O-N 2.99Å; D301-L304 VanDerWaalsContact O-N 3.07Å; D301-T321 HydrophobicContact CB-CG2 4.22Å; D301-T321 VanDerWaalsContact OD2-CB 3.27Å; D301-T321 WeakPolarHBondContact OD2-CB 3.45Å; D301-T321 PolarHBondContact OD2-OG1 3.2Å; D301-R346 IonicContact OD1-CZ 2.73Å; D301-R346 IonicContact OD1-NE 2.71Å; D301-R346 PolarHBondContact OD1-NE 2.76Å; D301-R346 VanDerWaalsContact OD1-NE 3.1Å; D301-R346 IonicContact OD1-NH2 3.93Å; D301-R346 WeakPolarHBondContact OD2-CD 3.41Å; D301-R346 IonicContact OD2-CZ 3.16Å; D301-R346 IonicContact OD2-NE 2.64Å; D301-R346 PolarHBondContact OD2-NE 2.76Å |
| 302 | H | 96.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 48.2 | -171.5 | -60.2 | 65.7 | 0 | 0 | 0 | 111.7 | A52 P53 S58 N59 L304 R338 | A52-H302 PolarHBondContact O-CD2 2.73Å; A52-H302 VanDerWaalsContact O-CD2 3.31Å; A52-H302 PolarHBondContact O-NE2 3.1Å; P53-H302 HydrophobicContact CG-CB 4.16Å; S58-H302 PolarHBondContact O-CE1 3.31Å; S58-H302 VanDerWaalsContact O-CE1 3.24Å; N59-H302 PolarHBondContact O-N 3.16Å; H302-L304 PolarHBondContact O-N 3.42Å; H302-R338 WeakPolarHBondContact O-CD 3.36Å; H302-R338 PolarHBondContact O-NH1 3.4Å |
| 303 | D | 95.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 13.4 | -176.5 | -62.4 | -40.1 | 0 | 0 | 0 | 114.7 | Y186 N228 H229 D301 E334 P335 R338 | Y186-D303 PolarHBondContact OH-OD1 2.89Å; N228-D303 PolarHBondContact ND2-OD1 3.32Å; H229-D303 IonicContact CD2-OD1 3.77Å; H229-D303 PolarHBondContact CE1-O 3.38Å; H229-D303 VanDerWaalsContact NE2-CB 3.32Å; H229-D303 WeakPolarHBondContact NE2-CB 3.12Å; H229-D303 PolarHBondContact NE2-O 3.15Å; H229-D303 IonicContact NE2-OD1 3.42Å; D301-D303 VanDerWaalsContact C-N 3.32Å; D301-D303 PolarHBondContact O-N 2.93Å; D303-E334 WeakPolarHBondContact O-CG 3.44Å; D303-P335 HydrophobicContact CB-CG 3.79Å; D303-R338 IonicContact OD2-CZ 3.56Å; D303-R338 VanDerWaalsContact OD2-CZ 3.25Å; D303-R338 IonicContact OD2-NH1 3.14Å; D303-R338 PolarHBondContact OD2-NH1 2.82Å; D303-R338 IonicContact OD2-NH2 3.89Å; D303-R338 PolarHBondContact OD2-NH2 3.1Å |
| 304 | L | 96 | Very high | 97.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.5 | 169.2 | -57.4 | 171 | 0 | 0 | 0 | 109.4 | P53 F300 D301 H302 K324 E334 L336 L339 | P53-L304 HydrophobicContact CG-CD1 3.85Å; F300-L304 WeakPolarHBondContact CA-O 3.46Å; D301-L304 PolarHBondContact N-O 2.9Å; D301-L304 VanDerWaalsContact O-CB 3.3Å; D301-L304 WeakPolarHBondContact O-CB 3.37Å; D301-L304 PolarHBondContact O-N 2.99Å; D301-L304 VanDerWaalsContact O-N 3.07Å; H302-L304 PolarHBondContact O-N 3.42Å; L304-K324 HydrophobicContact CB-CD 4.48Å; L304-E334 HydrophobicContact CD2-CG 4.08Å; L304-L336 HydrophobicContact CD2-CD2 4.49Å; L304-L339 HydrophobicContact CD1-CD2 3.6Å; L304-L339 HydrophobicContact CD1-CG 4.1Å |
| 305 | F | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.3 | 177.2 | -178.7 | -110.7 | 0 | 0 | 0 | 111.2 | I231 I256 A257 L282 L284 F298 A299 F300 F307 K324 E334 | I231-F305 HydrophobicContact CD1-CD2 4.39Å; I231-F305 HydrophobicContact CD1-CE2 3.77Å; I231-F305 HydrophobicContact CD1-CZ 4.41Å; I256-F305 HydrophobicContact CD1-CB 4.26Å; I256-F305 HydrophobicContact CG1-CB 3.79Å; I256-F305 HydrophobicContact CG1-CD1 3.97Å; I256-F305 HydrophobicContact CG1-CG 3.97Å; A257-F305 HydrophobicContact CB-CE1 4.02Å; A257-F305 HydrophobicContact CB-CZ 4.23Å; L282-F305 HydrophobicContact CD1-CD1 4.41Å; L282-F305 HydrophobicContact CD1-CE1 4.37Å; L284-F305 HydrophobicContact CD1-CE1 4.16Å; F298-F305 HydrophobicContact CB-CE2 3.74Å; F298-F305 HydrophobicContact CB-CZ 4.13Å; F298-F305 HydrophobicContact CD2-CE2 4.03Å; F298-F305 HydrophobicContact CG-CE2 4.15Å; A299-F305 WeakPolarHBondContact O-CA 3.28Å; F300-F305 HydrophobicContact CD1-CB 4.1Å; F300-F305 HydrophobicContact CD1-CD2 4.32Å; F300-F305 HydrophobicContact CD2-CD2 4.37Å; F300-F305 HydrophobicContact CE1-CB 3.82Å; F300-F305 AromaticContact CE1-CD2 3.85Å; F300-F305 HydrophobicContact CE1-CD2 3.85Å; F300-F305 HydrophobicContact CE1-CG 4.21Å; F300-F305 AromaticContact CE2-CD2 3.92Å; F300-F305 HydrophobicContact CE2-CD2 3.92Å; F300-F305 HydrophobicContact CE2-CE2 4.37Å; F300-F305 HydrophobicContact CZ-CB 4.46Å; F300-F305 AromaticContact CZ-CD2 3.64Å; F300-F305 HydrophobicContact CZ-CD2 3.64Å; F300-F305 HydrophobicContact CZ-CE2 4.3Å; F300-F305 HydrophobicContact CZ-CG 4.37Å; F305-F307 HydrophobicContact CD1-CD1 4.4Å; F305-F307 AromaticContact CE1-CD1 3.7Å; F305-F307 HydrophobicContact CE1-CD1 3.7Å; F305-F307 HydrophobicContact CE1-CE1 4.34Å; F305-F307 HydrophobicContact CE1-CG 4.48Å; F305-F307 HydrophobicContact CZ-CB 4.35Å; F305-F307 HydrophobicContact CZ-CD1 4.19Å; F305-K324 WeakPolarHBondContact O-CE 3.05Å; F305-K324 PolarHBondContact O-NZ 2.97Å; F305-E334 WeakPolarHBondContact CA-OE1 3.39Å; F305-E334 WeakPolarHBondContact CB-OE1 3.47Å; F305-E334 PolarHBondContact N-OE1 3.5Å |
| 306 | S | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.6 | 171.5 | -75.8 | 0 | 0 | 0 | 0 | 109.8 | F298 A299 I320 T321 K324 | F298-S306 CarbonylContact C-O 3.56Å; F298-S306 VanDerWaalsContact CA-O 3.29Å; F298-S306 WeakPolarHBondContact CA-O 3.24Å; A299-S306 PolarHBondContact N-O 2.93Å; A299-S306 PolarHBondContact O-N 2.87Å; S306-I320 PolarHBondContact OG-O 2.83Å; S306-T321 PolarHBondContact OG-O 3.04Å; S306-K324 WeakPolarHBondContact OG-CB 3.33Å |
| 307 | F | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 18.2 Ų | 18.2 | 11% | 0.114 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 164 | 177 | 72.9 | -84.8 | 0 | 0 | 0 | 111.6 | H274 L284 R296 I297 F298 F305 L319 Y328 | H274-F307 AromaticContact CE1-CE2 3.66Å; L284-F307 HydrophobicContact CD1-CD1 3.88Å; L284-F307 HydrophobicContact CD1-CD2 4.38Å; L284-F307 HydrophobicContact CD1-CE1 3.46Å; L284-F307 VanDerWaalsContact CD1-CE1 3.46Å; L284-F307 HydrophobicContact CD1-CE2 4Å; L284-F307 HydrophobicContact CD1-CG 4.32Å; L284-F307 HydrophobicContact CD1-CZ 3.52Å; L284-F307 HydrophobicContact CD2-CE1 4.09Å; L284-F307 HydrophobicContact CD2-CE2 4.31Å; L284-F307 HydrophobicContact CD2-CZ 3.57Å; L284-F307 HydrophobicContact CG-CE1 4.44Å; L284-F307 HydrophobicContact CG-CZ 4.14Å; R296-F307 HydrophobicContact CG-CB 4.25Å; R296-F307 HydrophobicContact CG-CD2 4.21Å; I297-F307 CarbonylContact O-C 3.53Å; I297-F307 WeakPolarHBondContact O-CA 3.3Å; I297-F307 VanDerWaalsContact O-CB 3.24Å; I297-F307 WeakPolarHBondContact O-CB 3.4Å; F298-F307 HydrophobicContact CB-CB 3.79Å; F305-F307 HydrophobicContact CD1-CD1 4.4Å; F305-F307 AromaticContact CE1-CD1 3.7Å; F305-F307 HydrophobicContact CE1-CD1 3.7Å; F305-F307 HydrophobicContact CE1-CE1 4.34Å; F305-F307 HydrophobicContact CE1-CG 4.48Å; F305-F307 HydrophobicContact CZ-CB 4.35Å; F305-F307 HydrophobicContact CZ-CD1 4.19Å; F307-L319 VanDerWaalsContact C-CD1 3.46Å; F307-Y328 AromaticContact CE1-CD1 3.61Å; F307-Y328 HydrophobicContact CE1-CD1 3.61Å; F307-Y328 HydrophobicContact CE1-CD2 4.07Å; F307-Y328 AromaticContact CE1-CE1 3.92Å; F307-Y328 HydrophobicContact CE1-CE1 3.92Å; F307-Y328 HydrophobicContact CE1-CE2 4.36Å; F307-Y328 AromaticContact CE1-CG 3.69Å; F307-Y328 HydrophobicContact CE1-CG 3.69Å; F307-Y328 AromaticContact CZ-CD1 3.65Å; F307-Y328 HydrophobicContact CZ-CD1 3.65Å; F307-Y328 HydrophobicContact CZ-CD2 4.23Å; F307-Y328 AromaticContact CZ-CE1 3.43Å; F307-Y328 HydrophobicContact CZ-CE1 3.43Å; F307-Y328 VanDerWaalsContact CZ-CE1 3.43Å; F307-Y328 HydrophobicContact CZ-CE2 4.06Å; F307-Y328 HydrophobicContact CZ-CG 4.05Å; F307-Y328 AromaticContact CZ-CZ 3.66Å |
| 308 | A | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 20% | 0.198 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 140.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | R296 I297 L310 L319 | R296-A308 WeakPolarHBondContact CA-O 3.45Å; I297-A308 HydrophobicContact CG2-CB 4Å; I297-A308 PolarHBondContact N-O 3.31Å; I297-A308 PolarHBondContact O-N 2.74Å; A308-L310 HydrophobicContact CB-CD2 4.35Å; A308-L319 HydrophobicContact CB-CD1 4.03Å |
| 309 | D | 98.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 18.7 Ų | 18.7 | 25% | 0.246 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131 | 172.4 | -65.6 | -10 | 0 | 0 | 0 | 109.8 | H274 R296 | H274-D309 IonicContact CE1-OD2 3.99Å; H274-D309 PolarHBondContact CE1-OD2 3.15Å; H274-D309 VanDerWaalsContact CE1-OD2 3.25Å; H274-D309 IonicContact NE2-OD2 3.88Å; H274-D309 PolarHBondContact NE2-OD2 3.26Å; R296-D309 WeakPolarHBondContact CB-OD1 3.39Å; R296-D309 IonicContact CZ-OD1 2.8Å; R296-D309 VanDerWaalsContact CZ-OD1 3.22Å; R296-D309 IonicContact NE-OD1 2.72Å; R296-D309 PolarHBondContact NE-OD1 3.29Å; R296-D309 IonicContact NH2-OD1 3.58Å; R296-D309 PolarHBondContact NH2-OD1 3.16Å; R296-D309 IonicContact NH2-OD2 3.48Å; R296-D309 PolarHBondContact NH2-OD2 2.92Å |
| 310 | L | 97.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 19 Ų | 19 | 11% | 0.11 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.7 | -166.2 | -58.3 | 173.1 | 0 | 0 | 0 | 110.2 | R294 Y295 I297 A308 V317 | R294-L310 VanDerWaalsContact CA-O 3.3Å; R294-L310 WeakPolarHBondContact CA-O 3.3Å; R294-L310 WeakPolarHBondContact CD-O 3.27Å; Y295-L310 HydrophobicContact CD1-CB 3.96Å; Y295-L310 HydrophobicContact CD2-CD1 4.35Å; Y295-L310 HydrophobicContact CE1-CB 3.51Å; Y295-L310 HydrophobicContact CE1-CD1 4.3Å; Y295-L310 HydrophobicContact CE2-CB 4.15Å; Y295-L310 HydrophobicContact CE2-CD1 3.55Å; Y295-L310 HydrophobicContact CE2-CG 4.46Å; Y295-L310 HydrophobicContact CG-CB 4.43Å; Y295-L310 PolarHBondContact N-O 2.78Å; Y295-L310 VanDerWaalsContact N-O 3.11Å; Y295-L310 PolarHBondContact O-N 2.83Å; Y295-L310 WeakPolarHBondContact OH-CD1 3.44Å; I297-L310 HydrophobicContact CB-CD1 4Å; I297-L310 HydrophobicContact CG2-CD1 3.61Å; I297-L310 HydrophobicContact CG2-CG 4.3Å; A308-L310 HydrophobicContact CB-CD2 4.35Å; L310-V317 HydrophobicContact CD1-CB 4.42Å; L310-V317 HydrophobicContact CD1-CG1 3.46Å; L310-V317 VanDerWaalsContact CD1-CG1 3.46Å; L310-V317 HydrophobicContact CD1-CG2 4.09Å; L310-V317 HydrophobicContact CD2-CG1 4.3Å |
| 311 | I | 97.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 19 Ų | 19 | 38% | 0.379 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.6 | 170.7 | -55.5 | 174.7 | 0 | 0 | 0 | 106.8 | T314 | I311-T314 WeakPolarHBondContact O-CB 3.38Å; I311-T314 PolarHBondContact O-N 2.9Å; I311-T314 PolarHBondContact O-OG1 3.01Å |
| 312 | F | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 19 Ų | 19 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 145 | 175.7 | 179.1 | -114.5 | 0 | 0 | 0 | 111.8 | D82 K85 F86 T90 W289 R293 T314 | D82-F312 HydrophobicContact CB-CD1 4.04Å; D82-F312 HydrophobicContact CB-CE1 3.7Å; D82-F312 WeakPolarHBondContact O-CZ 3.16Å; K85-F312 HydrophobicContact CB-CZ 3.86Å; K85-F312 HydrophobicContact CD-CE1 4.41Å; K85-F312 HydrophobicContact CD-CZ 3.94Å; K85-F312 HydrophobicContact CG-CZ 3.84Å; F86-F312 HydrophobicContact CB-CD2 4.19Å; F86-F312 HydrophobicContact CB-CE2 3.76Å; F86-F312 HydrophobicContact CB-CZ 4.34Å; F86-F312 AromaticContact CD2-CD2 3.92Å; F86-F312 HydrophobicContact CD2-CD2 3.92Å; F86-F312 HydrophobicContact CD2-CE2 4.17Å; F86-F312 HydrophobicContact CG-CE2 4.49Å; T90-F312 WeakPolarHBondContact OG1-CE2 3.06Å; W289-F312 HydrophobicContact CH2-CB 3.86Å; W289-F312 AromaticContact CH2-CD1 3.86Å; W289-F312 HydrophobicContact CH2-CD1 3.86Å; W289-F312 AromaticContact CH2-CD2 3.79Å; W289-F312 HydrophobicContact CH2-CD2 3.79Å; W289-F312 HydrophobicContact CH2-CE1 4.36Å; W289-F312 HydrophobicContact CH2-CE2 4.31Å; W289-F312 AromaticContact CH2-CG 3.54Å; W289-F312 HydrophobicContact CH2-CG 3.54Å; W289-F312 HydrophobicContact CZ2-CD1 4.46Å; W289-F312 HydrophobicContact CZ3-CB 3.81Å; W289-F312 HydrophobicContact CZ3-CD2 4.24Å; W289-F312 AromaticContact CZ3-CG 3.98Å; W289-F312 HydrophobicContact CZ3-CG 3.98Å; R293-F312 HydrophobicContact CB-CB 3.83Å; R293-F312 VanDerWaalsContact O-CB 3.28Å; R293-F312 WeakPolarHBondContact O-CB 3.41Å; R293-F312 PolarHBondContact O-N 3.28Å; F312-T314 PolarHBondContact O-N 3.11Å |
| 313 | G | 96.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 18.6 Ų | 18.6 | 50% | 0.495 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -5.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 314 | T | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 18.2 Ų | 18.2 | 36% | 0.356 | 11% | 0.11 | S | C | . | . | trans | -90.6 | 120.8 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | I311 F312 | I311-T314 WeakPolarHBondContact O-CB 3.38Å; I311-T314 PolarHBondContact O-N 2.9Å; I311-T314 PolarHBondContact O-OG1 3.01Å; F312-T314 PolarHBondContact O-N 3.11Å | ||
| 315 | W | 97.9 | Very high | 97.7 | Very high | 25 Ų | 25 | 19 Ų | 19 | 10% | 0.095 | 12% | 0.116 | C | C | . | . | trans | -132.8 | 151.1 | 179.2 | -63.1 | 100.9 | 0 | 0 | 0 | 110.9 | T90 I93 I94 V317 F350 L352 | T90-W315 HydrophobicContact CG2-CH2 4.21Å; T90-W315 HydrophobicContact CG2-CZ2 4.31Å; I93-W315 HydrophobicContact CB-CH2 4.11Å; I93-W315 HydrophobicContact CD1-CH2 4.31Å; I93-W315 HydrophobicContact CD1-CZ2 4.26Å; I93-W315 HydrophobicContact CG2-CH2 3.79Å; I93-W315 HydrophobicContact CG2-CZ3 3.91Å; I94-W315 HydrophobicContact CD1-CH2 4.4Å; I94-W315 HydrophobicContact CG1-CH2 4.19Å; I94-W315 HydrophobicContact CG1-CZ3 4.43Å; W315-V317 HydrophobicContact CD2-CG2 4.48Å; W315-V317 HydrophobicContact CE3-CB 4.26Å; W315-V317 HydrophobicContact CE3-CG2 3.71Å; W315-V317 HydrophobicContact CZ3-CB 4.21Å; W315-V317 HydrophobicContact CZ3-CG2 3.75Å; W315-F350 HydrophobicContact CZ3-CB 3.92Å; W315-L352 HydrophobicContact CD2-CD2 4.09Å; W315-L352 HydrophobicContact CD2-CG 4.13Å; W315-L352 VanDerWaalsContact CE2-CD2 3.43Å; W315-L352 HydrophobicContact CG-CD2 4.35Å; W315-L352 HydrophobicContact CG-CG 3.93Å; W315-L352 HydrophobicContact CZ2-CD2 3.68Å | ||
| 316 | P | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | S | Bend | cis | -65.8 | 155.5 | -5.6 | -23 | 35.2 | 0 | 0 | 0 | 114.3 | V318 F350 I355 V398 D400 K406 | P316-V318 HydrophobicContact CB-CG2 4.39Å; P316-F350 CarbonylContact C-O 3.49Å; P316-F350 VanDerWaalsContact CA-O 3.28Å; P316-F350 WeakPolarHBondContact CA-O 3.22Å; P316-F350 WeakPolarHBondContact CB-O 3.37Å; P316-I355 HydrophobicContact CB-CD1 4.26Å; P316-I355 HydrophobicContact CG-CD1 4.34Å; P316-V398 HydrophobicContact CB-CB 4.41Å; P316-V398 HydrophobicContact CB-CG1 3.9Å; P316-V398 HydrophobicContact CG-CG1 4.05Å; P316-D400 HydrophobicContact CG-CB 4.42Å; P316-K406 HydrophobicContact CB-CB 4.45Å |
| 317 | V | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.2 | 167.2 | 169.8 | 0 | 0 | 0 | 0 | 108.1 | Y295 I297 L310 W315 A349 F350 | Y295-V317 WeakPolarHBondContact OH-CG2 3.26Å; I297-V317 HydrophobicContact CD1-CG1 4.42Å; L310-V317 HydrophobicContact CD1-CB 4.42Å; L310-V317 HydrophobicContact CD1-CG1 3.46Å; L310-V317 VanDerWaalsContact CD1-CG1 3.46Å; L310-V317 HydrophobicContact CD1-CG2 4.09Å; L310-V317 HydrophobicContact CD2-CG1 4.3Å; W315-V317 HydrophobicContact CD2-CG2 4.48Å; W315-V317 HydrophobicContact CE3-CB 4.26Å; W315-V317 HydrophobicContact CE3-CG2 3.71Å; W315-V317 HydrophobicContact CZ3-CB 4.21Å; W315-V317 HydrophobicContact CZ3-CG2 3.75Å; V317-A349 WeakPolarHBondContact O-CA 3.39Å; V317-F350 HydrophobicContact CB-CB 4.26Å; V317-F350 HydrophobicContact CB-CD2 4.29Å; V317-F350 HydrophobicContact CG1-CD2 4.03Å; V317-F350 PolarHBondContact N-O 2.6Å; V317-F350 PolarHBondContact O-N 3.03Å |
| 318 | V | 98.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.3 | -174.6 | -168 | 0 | 0 | 0 | 0 | 109.7 | P316 V347 L348 V396 V398 K406 V408 | P316-V318 HydrophobicContact CB-CG2 4.39Å; V318-V347 HydrophobicContact CG1-CG1 3.6Å; V318-L348 CarbonylContact C-O 3.49Å; V318-L348 WeakPolarHBondContact CA-O 3.34Å; V318-V396 HydrophobicContact CG1-CG1 4.16Å; V318-V398 HydrophobicContact CB-CG2 4.23Å; V318-V398 HydrophobicContact CG1-CG2 3.69Å; V318-V398 HydrophobicContact CG2-CB 3.69Å; V318-V398 HydrophobicContact CG2-CG1 4.37Å; V318-V398 HydrophobicContact CG2-CG2 3.43Å; V318-V398 VanDerWaalsContact CG2-CG2 3.43Å; V318-K406 HydrophobicContact CG2-CB 4.12Å; V318-K406 HydrophobicContact CG2-CG 4.1Å; V318-V408 HydrophobicContact CB-CG1 4.03Å; V318-V408 HydrophobicContact CB-CG2 3.82Å; V318-V408 HydrophobicContact CG1-CG2 3.51Å |
| 319 | L | 98.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 116.3 | 172.6 | 177.4 | 62.9 | 0 | 0 | 0 | 109.8 | I297 A299 F307 A308 T321 V347 L348 | I297-L319 HydrophobicContact CG1-CD2 4.32Å; I297-L319 HydrophobicContact CG2-CB 4.37Å; I297-L319 HydrophobicContact CG2-CD2 4.3Å; A299-L319 HydrophobicContact CB-CD2 3.79Å; F307-L319 VanDerWaalsContact C-CD1 3.46Å; A308-L319 HydrophobicContact CB-CD1 4.03Å; L319-T321 HydrophobicContact CD2-CG2 4.23Å; L319-T321 HydrophobicContact CG-CG2 4.15Å; L319-T321 PolarHBondContact O-N 2.87Å; L319-V347 WeakPolarHBondContact O-CA 3.36Å; L319-L348 HydrophobicContact CB-CB 4.32Å; L319-L348 HydrophobicContact CD2-CD1 4.39Å; L319-L348 PolarHBondContact N-O 2.99Å; L319-L348 PolarHBondContact O-N 3.02Å |
| 320 | I | 98.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.1 | 172.1 | -54.6 | 173.3 | 0 | 0 | 0 | 107.7 | S306 P323 I394 V396 V408 | S306-I320 PolarHBondContact OG-O 2.83Å; I320-P323 WeakPolarHBondContact CG2-O 3.41Å; I320-I394 HydrophobicContact CD1-CG1 4.29Å; I320-I394 HydrophobicContact CD1-CG2 3.99Å; I320-I394 HydrophobicContact CG2-CD1 4.11Å; I320-V396 HydrophobicContact CD1-CB 4.01Å; I320-V396 HydrophobicContact CD1-CG2 3.56Å; I320-V396 HydrophobicContact CG1-CB 4.14Å; I320-V396 HydrophobicContact CG1-CG2 3.74Å; I320-V408 HydrophobicContact CD1-CG2 4.01Å; I320-V408 HydrophobicContact CG1-CG2 4.01Å |
| 321 | T | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -33.8 | -179.8 | 56.1 | 0 | 0 | 0 | 0 | 112 | A299 D301 S306 L319 R346 L348 | A299-T321 HydrophobicContact CB-CG2 4.04Å; D301-T321 HydrophobicContact CB-CG2 4.22Å; D301-T321 VanDerWaalsContact OD2-CB 3.27Å; D301-T321 WeakPolarHBondContact OD2-CB 3.45Å; D301-T321 PolarHBondContact OD2-OG1 3.2Å; S306-T321 PolarHBondContact OG-O 3.04Å; L319-T321 HydrophobicContact CD2-CG2 4.23Å; L319-T321 HydrophobicContact CG-CG2 4.15Å; L319-T321 PolarHBondContact O-N 2.87Å; T321-R346 PolarHBondContact N-O 2.83Å; T321-R346 VanDerWaalsContact OG1-CB 3.32Å; T321-R346 WeakPolarHBondContact OG1-CB 3.33Å; T321-R346 PolarHBondContact OG1-O 2.74Å; T321-L348 HydrophobicContact CG2-CD1 4.1Å; T321-L348 HydrophobicContact CG2-CG 4.03Å |
| 322 | N | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.1 | 174.1 | -175.2 | 60.9 | 0 | 0 | 0 | 111.4 | P53 L339 S342 H344 I345 R346 | P53-N322 HydrophobicContact CB-CB 3.92Å; P53-N322 HydrophobicContact CG-CB 4.12Å; N322-L339 WeakPolarHBondContact OD1-CD2 3.42Å; N322-S342 VanDerWaalsContact ND2-CB 3.33Å; N322-S342 WeakPolarHBondContact ND2-CB 3.27Å; N322-S342 PolarHBondContact ND2-OG 2.97Å; N322-H344 PolarHBondContact ND2-O 2.89Å; N322-I345 CarbonylContact O-C 3.53Å; N322-I345 VanDerWaalsContact O-CA 3.23Å; N322-I345 WeakPolarHBondContact O-CA 3.39Å; N322-I345 VanDerWaalsContact O-CG2 3.26Å; N322-I345 WeakPolarHBondContact O-CG2 3.36Å; N322-R346 HydrophobicContact CB-CB 4.11Å; N322-R346 HydrophobicContact CB-CG 4.38Å; N322-R346 PolarHBondContact N-O 2.73Å; N322-R346 PolarHBondContact O-N 3.39Å |
| 323 | P | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | S | Bend | cis | -69.7 | 138.7 | -9.2 | 29.7 | -35.7 | 0 | 0 | 0 | 112.1 | I320 W382 I394 H410 F412 | I320-P323 WeakPolarHBondContact CG2-O 3.41Å; P323-W382 HydrophobicContact CB-CH2 3.72Å; P323-W382 HydrophobicContact CB-CZ2 4.26Å; P323-W382 HydrophobicContact CG-CH2 3.62Å; P323-W382 HydrophobicContact CG-CZ2 4.35Å; P323-W382 HydrophobicContact CG-CZ3 3.98Å; P323-I394 HydrophobicContact CG-CD1 4.03Å; P323-H410 PolarHBondContact O-CE1 3.13Å; P323-H410 PolarHBondContact O-NE2 2.83Å; P323-F412 HydrophobicContact CB-CB 3.93Å; P323-F412 HydrophobicContact CB-CD1 4.33Å; P323-F412 HydrophobicContact CB-CD2 3.5Å; P323-F412 HydrophobicContact CB-CE2 4.07Å; P323-F412 HydrophobicContact CB-CG 3.66Å; P323-F412 HydrophobicContact CG-CB 4.18Å; P323-F412 HydrophobicContact CG-CD1 3.7Å; P323-F412 HydrophobicContact CG-CD2 3.61Å; P323-F412 HydrophobicContact CG-CE1 3.91Å; P323-F412 HydrophobicContact CG-CE2 3.84Å; P323-F412 HydrophobicContact CG-CG 3.54Å; P323-F412 HydrophobicContact CG-CZ 3.99Å |
| 324 | K | 94.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -73 | 163.3 | 177.7 | 69.7 | 169 | -74.8 | 168.2 | 0 | 112.6 | L304 F305 S306 L326 Y328 S329 E334 L336 L339 F412 | L304-K324 HydrophobicContact CB-CD 4.48Å; F305-K324 WeakPolarHBondContact O-CE 3.05Å; F305-K324 PolarHBondContact O-NZ 2.97Å; S306-K324 WeakPolarHBondContact OG-CB 3.33Å; K324-L326 PolarHBondContact O-N 3.35Å; K324-Y328 PolarHBondContact NZ-O 3.29Å; K324-S329 WeakPolarHBondContact CE-OG 3.42Å; K324-E334 WeakPolarHBondContact CD-OE2 3.4Å; K324-E334 WeakPolarHBondContact CE-OE2 3.15Å; K324-E334 IonicContact NZ-OE1 3.44Å; K324-E334 PolarHBondContact NZ-OE1 2.85Å; K324-E334 IonicContact NZ-OE2 3.26Å; K324-E334 PolarHBondContact NZ-OE2 3.24Å; K324-L336 HydrophobicContact CD-CD2 4.09Å; K324-L339 HydrophobicContact CG-CD1 4.22Å; K324-L339 HydrophobicContact CG-CD2 4.35Å; K324-F412 VanDerWaalsContact O-CB 3.23Å; K324-F412 WeakPolarHBondContact O-CB 3.36Å |
| 325 | S | 95.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 20 Ų | 20 | 13% | 0.126 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 129.8 | 178 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | L327 Y328 S329 H410 I411 | S325-L327 VanDerWaalsContact C-N 3.31Å; S325-L327 PolarHBondContact O-N 3.03Å; S325-Y328 PolarHBondContact O-N 2.9Å; S325-S329 PolarHBondContact O-N 2.94Å; S325-S329 PolarHBondContact O-OG 2.83Å; S325-S329 VanDerWaalsContact O-OG 3.1Å; S325-H410 PolarHBondContact N-NE2 3.19Å; S325-I411 CarbonylContact C-O 3.59Å; S325-I411 WeakPolarHBondContact CA-O 3.33Å |
| 326 | L | 94.9 | Very high | 94 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -61.3 | -36.8 | 178.7 | -176.7 | 60.4 | 0 | 0 | 0 | 112.8 | K324 Y328 S329 T391 I411 N418 L420 | K324-L326 PolarHBondContact O-N 3.35Å; L326-Y328 PolarHBondContact O-N 3.25Å; L326-S329 PolarHBondContact O-N 3.2Å; L326-S329 VanDerWaalsContact O-N 3.16Å; L326-T391 HydrophobicContact CD2-CG2 3.55Å; L326-I411 HydrophobicContact CB-CG2 4.49Å; L326-I411 WeakPolarHBondContact CB-O 3.46Å; L326-I411 HydrophobicContact CD2-CG2 4.27Å; L326-I411 PolarHBondContact N-O 2.82Å; L326-N418 WeakPolarHBondContact CD1-O 3.31Å; L326-N418 HydrophobicContact CD2-CB 4.04Å; L326-L420 HydrophobicContact CB-CD1 4.21Å; L326-L420 HydrophobicContact CD2-CD1 4.21Å; L326-L420 HydrophobicContact CD2-CG 4.01Å; L326-L420 HydrophobicContact CG-CD1 4.35Å; L326-L420 HydrophobicContact CG-CG 4.26Å |
| 327 | L | 94.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 19% | 0.194 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -57.9 | -34.4 | -179 | 179.6 | 62.4 | 0 | 0 | 0 | 111.4 | R276 S325 L420 S421 F422 | R276-L327 PolarHBondContact NH2-O 2.87Å; S325-L327 VanDerWaalsContact C-N 3.31Å; S325-L327 PolarHBondContact O-N 3.03Å; L327-L420 HydrophobicContact CB-CB 4.34Å; L327-L420 HydrophobicContact CB-CD1 4.2Å; L327-L420 HydrophobicContact CD1-CB 3.72Å; L327-S421 WeakPolarHBondContact CD1-O 3.39Å; L327-F422 HydrophobicContact CD1-CD1 4.27Å; L327-F422 HydrophobicContact CD1-CD2 4.25Å; L327-F422 HydrophobicContact CD1-CE1 4.27Å; L327-F422 HydrophobicContact CD1-CE2 4.23Å; L327-F422 HydrophobicContact CD1-CG 4.26Å; L327-F422 HydrophobicContact CD1-CZ 4.24Å; L327-F422 HydrophobicContact CD2-CE1 4.42Å; L327-F422 HydrophobicContact CG-CD1 4.41Å; L327-F422 HydrophobicContact CG-CE1 4.06Å; L327-F422 HydrophobicContact CG-CZ 4.16Å; L327-F422 WeakPolarHBondContact O-CZ 2.98Å |
| 328 | Y | 95.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 24.7 Ų | 24.7 | 15% | 0.153 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -102.8 | 10.4 | -176.7 | -54.5 | -75.3 | 0 | 0 | 0 | 113.6 | H274 L282 L284 F307 K324 S325 L326 F422 | H274-Y328 HydrophobicContact CB-CE1 4.09Å; H274-Y328 AromaticContact ND1-CE1 3.73Å; H274-Y328 AromaticContact ND1-CZ 3.66Å; H274-Y328 PolarHBondContact ND1-OH 3.02Å; L282-Y328 HydrophobicContact CD1-CD1 4.3Å; L282-Y328 HydrophobicContact CD2-CD1 4.17Å; L284-Y328 HydrophobicContact CD2-CD1 4.3Å; L284-Y328 HydrophobicContact CD2-CE1 4.09Å; F307-Y328 AromaticContact CE1-CD1 3.61Å; F307-Y328 HydrophobicContact CE1-CD1 3.61Å; F307-Y328 HydrophobicContact CE1-CD2 4.07Å; F307-Y328 AromaticContact CE1-CE1 3.92Å; F307-Y328 HydrophobicContact CE1-CE1 3.92Å; F307-Y328 HydrophobicContact CE1-CE2 4.36Å; F307-Y328 AromaticContact CE1-CG 3.69Å; F307-Y328 HydrophobicContact CE1-CG 3.69Å; F307-Y328 AromaticContact CZ-CD1 3.65Å; F307-Y328 HydrophobicContact CZ-CD1 3.65Å; F307-Y328 HydrophobicContact CZ-CD2 4.23Å; F307-Y328 AromaticContact CZ-CE1 3.43Å; F307-Y328 HydrophobicContact CZ-CE1 3.43Å; F307-Y328 VanDerWaalsContact CZ-CE1 3.43Å; F307-Y328 HydrophobicContact CZ-CE2 4.06Å; F307-Y328 HydrophobicContact CZ-CG 4.05Å; F307-Y328 AromaticContact CZ-CZ 3.66Å; K324-Y328 PolarHBondContact NZ-O 3.29Å; S325-Y328 PolarHBondContact O-N 2.9Å; L326-Y328 PolarHBondContact O-N 3.25Å; Y328-F422 AromaticContact CD1-CE1 3.85Å; Y328-F422 HydrophobicContact CD1-CE1 3.85Å; Y328-F422 AromaticContact CD1-CZ 3.94Å; Y328-F422 HydrophobicContact CD1-CZ 3.94Å; Y328-F422 AromaticContact CE1-CE1 3.58Å; Y328-F422 HydrophobicContact CE1-CE1 3.58Å; Y328-F422 HydrophobicContact CE1-CZ 4.16Å |
| 329 | S | 91.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | trans | -83 | 136.9 | 177.3 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | R276 K324 S325 L326 | R276-S329 PolarHBondContact NH2-O 3.37Å; K324-S329 WeakPolarHBondContact CE-OG 3.42Å; S325-S329 PolarHBondContact O-N 2.94Å; S325-S329 PolarHBondContact O-OG 2.83Å; S325-S329 VanDerWaalsContact O-OG 3.1Å; L326-S329 PolarHBondContact O-N 3.2Å; L326-S329 VanDerWaalsContact O-N 3.16Å | ||
| 330 | C | 88.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 27.6 Ų | 27.6 | 14% | 0.142 | 15% | 0.146 | C | C | . | . | trans | -147.3 | 104.6 | 173.7 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | K332 H333 E334 | C330-K332 PolarHBondContact O-N 3.15Å; C330-H333 PolarHBondContact O-N 2.74Å; C330-E334 WeakPolarHBondContact O-CB 3.42Å; C330-E334 PolarHBondContact O-N 2.77Å; C330-E334 VanDerWaalsContact O-N 3.14Å | ||
| 331 | G | 85.2 | Confident | 91.8 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 41% | 0.412 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | E334 | G331-E334 WeakPolarHBondContact CA-O 3.5Š|
| 332 | K | 87.3 | Confident | 91.6 | Very high | 141 Ų | 141 | 31.8 Ų | 31.8 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.9 | 173.5 | -173.5 | 179.7 | 171.7 | -165.2 | 0 | 113 | Q279 C330 | Q279-K332 WeakPolarHBondContact O-CD 3.43Å; Q279-K332 PolarHBondContact O-NZ 3.02Å; C330-K332 PolarHBondContact O-N 3.15Å |
| 333 | H | 89.7 | Confident | 91.5 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.106 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -1.6 | -172.2 | -63.6 | -47.4 | 0 | 0 | 0 | 113.1 | H229 S253 I256 Q279 C330 | H229-H333 PolarHBondContact CE1-O 2.78Å; H229-H333 VanDerWaalsContact CE1-O 3.31Å; H229-H333 PolarHBondContact ND1-O 3.17Å; S253-H333 PolarHBondContact O-CE1 3.18Å; S253-H333 PolarHBondContact O-NE2 3.38Å; I256-H333 HydrophobicContact CD1-CB 3.88Å; I256-H333 WeakPolarHBondContact CD1-O 3.5Å; Q279-H333 PolarHBondContact O-NE2 3.28Å; C330-H333 PolarHBondContact O-N 2.74Å |
| 334 | E | 89.4 | Confident | 91.6 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -153.2 | 138.4 | -169.7 | -156.3 | -178.4 | -116 | 0 | 0 | 111.8 | I256 D303 L304 F305 K324 C330 G331 L336 | I256-E334 HydrophobicContact CD1-CB 3.85Å; I256-E334 HydrophobicContact CD1-CG 4.11Å; D303-E334 WeakPolarHBondContact O-CG 3.44Å; L304-E334 HydrophobicContact CD2-CG 4.08Å; F305-E334 WeakPolarHBondContact CA-OE1 3.39Å; F305-E334 WeakPolarHBondContact CB-OE1 3.47Å; F305-E334 PolarHBondContact N-OE1 3.5Å; K324-E334 WeakPolarHBondContact CD-OE2 3.4Å; K324-E334 WeakPolarHBondContact CE-OE2 3.15Å; K324-E334 IonicContact NZ-OE1 3.44Å; K324-E334 PolarHBondContact NZ-OE1 2.85Å; K324-E334 IonicContact NZ-OE2 3.26Å; K324-E334 PolarHBondContact NZ-OE2 3.24Å; C330-E334 WeakPolarHBondContact O-CB 3.42Å; C330-E334 PolarHBondContact O-N 2.77Å; C330-E334 VanDerWaalsContact O-N 3.14Å; G331-E334 WeakPolarHBondContact CA-O 3.5Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.38Å; E334-L336 WeakPolarHBondContact OE2-CD2 3.49Å |
| 335 | P | 91.6 | Very high | 91.8 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | trans | -78.8 | 70.7 | -178.6 | 33.3 | -37.6 | 0 | 0 | 0 | 112.1 | D303 E337 R338 | D303-P335 HydrophobicContact CB-CG 3.79Å; P335-E337 VanDerWaalsContact CA-OE2 3.24Å; P335-E337 WeakPolarHBondContact CA-OE2 3.41Å; P335-E337 WeakPolarHBondContact CB-OE1 3.3Å; P335-E337 PolarHBondContact O-N 3.49Å; P335-E337 VanDerWaalsContact O-N 3.16Å; P335-R338 HydrophobicContact CB-CG 4.15Å; P335-R338 HydrophobicContact CG-CG 4.36Å; P335-R338 WeakPolarHBondContact O-CB 3.14Å; P335-R338 WeakPolarHBondContact O-CG 3.41Å; P335-R338 PolarHBondContact O-N 2.85Å | ||
| 336 | L | 89.4 | Confident | 91.9 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.6 | -175.7 | -66.6 | -179.3 | 0 | 0 | 0 | 113.4 | L304 K324 E334 R338 L339 E416 | L304-L336 HydrophobicContact CD2-CD2 4.49Å; K324-L336 HydrophobicContact CD-CD2 4.09Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.38Å; E334-L336 WeakPolarHBondContact OE2-CD2 3.49Å; L336-R338 PolarHBondContact O-N 3.48Å; L336-R338 VanDerWaalsContact O-N 3.11Å; L336-L339 HydrophobicContact CD2-CD1 4.21Å; L336-L339 VanDerWaalsContact O-CB 3.27Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 WeakPolarHBondContact O-CG 3.41Å; L336-L339 PolarHBondContact O-N 3.17Å; L336-E416 HydrophobicContact CB-CG 4.42Å; L336-E416 HydrophobicContact CD1-CG 4.34Å |
| 337 | E | 87.9 | Confident | 92.1 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 38% | 0.379 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.5 | -24.2 | 174.7 | 70.6 | -78.6 | -178.9 | 0 | 0 | 112.7 | P49 P335 L339 L340 H341 | P49-E337 HydrophobicContact CB-CG 4.3Å; P49-E337 HydrophobicContact CG-CG 3.45Å; P49-E337 VanDerWaalsContact CG-CG 3.45Å; P335-E337 VanDerWaalsContact CA-OE2 3.24Å; P335-E337 WeakPolarHBondContact CA-OE2 3.41Å; P335-E337 WeakPolarHBondContact CB-OE1 3.3Å; P335-E337 PolarHBondContact O-N 3.49Å; P335-E337 VanDerWaalsContact O-N 3.16Å; E337-L339 PolarHBondContact O-N 3.28Å; E337-L340 PolarHBondContact O-N 3.22Å; E337-H341 PolarHBondContact O-CD2 3.29Å; E337-H341 PolarHBondContact O-N 3.42Å |
| 338 | R | 90.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -26.3 | 174.7 | -66.2 | -178.9 | -176.1 | -167.3 | 8.4 | 112.7 | P49 P51 A52 H302 D303 P335 L336 H341 S342 | P49-R338 HydrophobicContact CB-CG 4.35Å; P49-R338 HydrophobicContact CG-CG 4.49Å; P51-R338 VanDerWaalsContact O-CD 3.22Å; P51-R338 WeakPolarHBondContact O-CD 3.39Å; P51-R338 PolarHBondContact O-NE 2.8Å; P51-R338 PolarHBondContact O-NH1 3.41Å; A52-R338 HydrophobicContact CB-CB 4.4Å; H302-R338 WeakPolarHBondContact O-CD 3.36Å; H302-R338 PolarHBondContact O-NH1 3.4Å; D303-R338 IonicContact OD2-CZ 3.56Å; D303-R338 VanDerWaalsContact OD2-CZ 3.25Å; D303-R338 IonicContact OD2-NH1 3.14Å; D303-R338 PolarHBondContact OD2-NH1 2.82Å; D303-R338 IonicContact OD2-NH2 3.89Å; D303-R338 PolarHBondContact OD2-NH2 3.1Å; P335-R338 HydrophobicContact CB-CG 4.15Å; P335-R338 HydrophobicContact CG-CG 4.36Å; P335-R338 WeakPolarHBondContact O-CB 3.14Å; P335-R338 WeakPolarHBondContact O-CG 3.41Å; P335-R338 PolarHBondContact O-N 2.85Å; L336-R338 PolarHBondContact O-N 3.48Å; L336-R338 VanDerWaalsContact O-N 3.11Å; R338-H341 CarbonylContact O-C 3.51Å; R338-H341 PolarHBondContact O-N 2.84Å; R338-S342 PolarHBondContact O-N 3.09Å |
| 339 | L | 89.9 | Confident | 92.4 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 174.8 | -67 | 172.3 | 0 | 0 | 0 | 111.4 | L304 N322 K324 L336 E337 H341 S342 | L304-L339 HydrophobicContact CD1-CD2 3.6Å; L304-L339 HydrophobicContact CD1-CG 4.1Å; N322-L339 WeakPolarHBondContact OD1-CD2 3.42Å; K324-L339 HydrophobicContact CG-CD1 4.22Å; K324-L339 HydrophobicContact CG-CD2 4.35Å; L336-L339 HydrophobicContact CD2-CD1 4.21Å; L336-L339 VanDerWaalsContact O-CB 3.27Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 WeakPolarHBondContact O-CG 3.41Å; L336-L339 PolarHBondContact O-N 3.17Å; E337-L339 PolarHBondContact O-N 3.28Å; L339-H341 PolarHBondContact O-N 3.23Å; L339-S342 WeakPolarHBondContact O-CB 3.42Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 VanDerWaalsContact O-N 3.17Å; L339-S342 PolarHBondContact O-OG 2.89Å |
| 340 | L | 88.6 | Confident | 92.8 | Very high | 64 Ų | 64 | 31.3 Ų | 31.3 | 34% | 0.335 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.2 | -24.6 | 179.2 | -73.5 | 169.3 | 0 | 0 | 0 | 113.2 | E337 P384 A414 | E337-L340 PolarHBondContact O-N 3.22Å; L340-P384 VanDerWaalsContact O-CG 3.27Å; L340-P384 WeakPolarHBondContact O-CG 3.42Å; L340-A414 WeakPolarHBondContact CD1-O 3.31Å; L340-A414 HydrophobicContact CD2-CB 3.75Å; L340-A414 WeakPolarHBondContact CD2-O 3.26Å; L340-A414 WeakPolarHBondContact CG-O 3.44Å |
| 341 | H | 90.6 | Very high | 93.2 | Very high | 92 Ų | 92 | 31 Ų | 31 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.4 | 177.9 | -65.8 | -62.8 | 0 | 0 | 0 | 113.3 | P49 A52 E337 R338 L339 | P49-H341 WeakPolarHBondContact CD-CD2 3.18Å; A52-H341 HydrophobicContact CB-CB 3.94Å; E337-H341 PolarHBondContact O-CD2 3.29Å; E337-H341 PolarHBondContact O-N 3.42Å; R338-H341 CarbonylContact O-C 3.51Å; R338-H341 PolarHBondContact O-N 2.84Å; L339-H341 PolarHBondContact O-N 3.23Å |
| 342 | S | 94.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | trans | -67.1 | 148.7 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 112 | P53 N322 R338 L339 W382 P384 | P53-S342 CarbonylContact O-C 3.49Å; P53-S342 VanDerWaalsContact O-CA 3.27Å; P53-S342 WeakPolarHBondContact O-CA 3.22Å; P53-S342 WeakPolarHBondContact O-CB 3.47Å; N322-S342 VanDerWaalsContact ND2-CB 3.33Å; N322-S342 WeakPolarHBondContact ND2-CB 3.27Å; N322-S342 PolarHBondContact ND2-OG 2.97Å; R338-S342 PolarHBondContact O-N 3.09Å; L339-S342 WeakPolarHBondContact O-CB 3.42Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 VanDerWaalsContact O-N 3.17Å; L339-S342 PolarHBondContact O-OG 2.89Å; S342-W382 WeakPolarHBondContact OG-CZ2 3.25Å; S342-W382 PolarHBondContact OG-NE1 2.82Å; S342-P384 VanDerWaalsContact O-CD 3.24Å; S342-P384 WeakPolarHBondContact O-CD 3.42Å; S342-P384 WeakPolarHBondContact O-CG 3.46Å | ||
| 343 | T | 95.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 27.9 Ų | 27.9 | 42% | 0.417 | 15% | 0.147 | S | C | . | . | trans | -111.9 | -13.3 | 176 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | P53 G54 W382 | P53-T343 PolarHBondContact O-N 3.17Å; G54-T343 WeakPolarHBondContact CA-OG1 2.93Å; T343-W382 VanDerWaalsContact C-CD1 3.49Å; T343-W382 PolarHBondContact O-N 2.7Å; T343-W382 VanDerWaalsContact O-N 3.08Å; T343-W382 VanDerWaalsContact O-O 3.13Å | ||
| 344 | H | 97.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 13% | 0.125 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.6 | -176.6 | -66.8 | 71.4 | 0 | 0 | 0 | 111.5 | N322 V379 L380 W382 | N322-H344 PolarHBondContact ND2-O 2.89Å; H344-V379 HydrophobicContact CB-CB 4.19Å; H344-L380 CarbonylContact C-O 3.56Å; H344-L380 VanDerWaalsContact CA-O 3.23Å; H344-L380 WeakPolarHBondContact CA-O 3.4Å; H344-W382 VanDerWaalsContact C-CD1 3.47Å |
| 345 | I | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 137.2 | 156.7 | -63 | 174.4 | 0 | 0 | 0 | 107 | N322 V347 V360 I362 L367 V379 L380 W382 I394 | N322-I345 CarbonylContact O-C 3.53Å; N322-I345 VanDerWaalsContact O-CA 3.23Å; N322-I345 WeakPolarHBondContact O-CA 3.39Å; N322-I345 VanDerWaalsContact O-CG2 3.26Å; N322-I345 WeakPolarHBondContact O-CG2 3.36Å; I345-V347 HydrophobicContact CG2-CG2 4.36Å; I345-V360 HydrophobicContact CD1-CG1 3.79Å; I345-V360 HydrophobicContact CG2-CG1 4.35Å; I345-I362 HydrophobicContact CD1-CD1 3.93Å; I345-L367 HydrophobicContact CD1-CD1 4.18Å; I345-V379 CarbonylContact O-C 3.59Å; I345-V379 VanDerWaalsContact O-CA 3.25Å; I345-V379 WeakPolarHBondContact O-CA 3.28Å; I345-L380 HydrophobicContact CB-CB 4.32Å; I345-L380 PolarHBondContact N-O 2.98Å; I345-L380 PolarHBondContact O-N 2.91Å; I345-W382 HydrophobicContact CD1-CB 4.11Å; I345-W382 HydrophobicContact CD1-CD2 4.03Å; I345-W382 HydrophobicContact CD1-CE3 3.81Å; I345-W382 HydrophobicContact CD1-CG 4.19Å; I345-W382 HydrophobicContact CG1-CB 3.97Å; I345-W382 HydrophobicContact CG1-CD2 3.48Å; I345-W382 VanDerWaalsContact CG1-CD2 3.48Å; I345-W382 HydrophobicContact CG1-CE3 3.7Å; I345-W382 HydrophobicContact CG1-CG 3.61Å; I345-W382 HydrophobicContact CG1-CZ3 4.41Å; I345-I394 HydrophobicContact CD1-CD1 4.22Å; I345-I394 HydrophobicContact CG2-CD1 3.89Å |
| 346 | R | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.8 | -178.1 | -62.4 | 176.2 | 66.1 | 84.4 | -5.7 | 110.3 | P53 G54 G56 D301 T321 N322 V379 | P53-R346 HydrophobicContact CB-CG 4.49Å; G54-R346 PolarHBondContact O-NH1 2.96Å; G56-R346 PolarHBondContact O-NH1 2.94Å; G56-R346 PolarHBondContact O-NH2 3.27Å; G56-R346 VanDerWaalsContact O-NH2 3.14Å; D301-R346 IonicContact OD1-CZ 2.73Å; D301-R346 IonicContact OD1-NE 2.71Å; D301-R346 PolarHBondContact OD1-NE 2.76Å; D301-R346 VanDerWaalsContact OD1-NE 3.1Å; D301-R346 IonicContact OD1-NH2 3.93Å; D301-R346 WeakPolarHBondContact OD2-CD 3.41Å; D301-R346 IonicContact OD2-CZ 3.16Å; D301-R346 IonicContact OD2-NE 2.64Å; D301-R346 PolarHBondContact OD2-NE 2.76Å; T321-R346 PolarHBondContact N-O 2.83Å; T321-R346 VanDerWaalsContact OG1-CB 3.32Å; T321-R346 WeakPolarHBondContact OG1-CB 3.33Å; T321-R346 PolarHBondContact OG1-O 2.74Å; N322-R346 HydrophobicContact CB-CB 4.11Å; N322-R346 HydrophobicContact CB-CG 4.38Å; N322-R346 PolarHBondContact N-O 2.73Å; N322-R346 PolarHBondContact O-N 3.39Å; R346-V379 HydrophobicContact CG-CG1 4.08Å |
| 347 | V | 98.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.5 | -177.1 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | V318 L319 I345 V358 F378 V396 | V318-V347 HydrophobicContact CG1-CG1 3.6Å; L319-V347 WeakPolarHBondContact O-CA 3.36Å; I345-V347 HydrophobicContact CG2-CG2 4.36Å; V347-V358 HydrophobicContact CG1-CG1 4.48Å; V347-F378 PolarHBondContact N-O 3.04Å; V347-F378 PolarHBondContact O-N 2.87Å; V347-V396 HydrophobicContact CG1-CG1 4.09Å; V347-V396 HydrophobicContact CG2-CG1 4.13Å; V347-V396 HydrophobicContact CG2-CG2 4.03Å |
| 348 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.8 | 163.3 | -60.4 | -179.5 | 0 | 0 | 0 | 108.9 | I60 W62 A299 V318 L319 T321 F350 P376 I377 | I60-L348 HydrophobicContact CD1-CD1 4.23Å; I60-L348 HydrophobicContact CD1-CD2 3.78Å; I60-L348 HydrophobicContact CD1-CG 4.24Å; W62-L348 HydrophobicContact CB-CD1 4.1Å; W62-L348 HydrophobicContact CD2-CD1 4.19Å; W62-L348 HydrophobicContact CE3-CD1 3.98Å; W62-L348 HydrophobicContact CE3-CD2 4.28Å; W62-L348 HydrophobicContact CG-CD1 4.26Å; W62-L348 HydrophobicContact CZ3-CD2 4.37Å; A299-L348 HydrophobicContact CB-CD1 3.89Å; V318-L348 CarbonylContact C-O 3.49Å; V318-L348 WeakPolarHBondContact CA-O 3.34Å; L319-L348 HydrophobicContact CB-CB 4.32Å; L319-L348 HydrophobicContact CD2-CD1 4.39Å; L319-L348 PolarHBondContact N-O 2.99Å; L319-L348 PolarHBondContact O-N 3.02Å; T321-L348 HydrophobicContact CG2-CD1 4.1Å; T321-L348 HydrophobicContact CG2-CG 4.03Å; L348-F350 HydrophobicContact CB-CE2 3.7Å; L348-F350 HydrophobicContact CB-CZ 4.12Å; L348-F350 HydrophobicContact CD1-CZ 4.48Å; L348-P376 CarbonylContact C-O 3.55Å; L348-P376 VanDerWaalsContact CA-O 3.32Å; L348-P376 WeakPolarHBondContact CA-O 3.29Å; L348-P376 HydrophobicContact CD2-CG 4.1Å; L348-I377 HydrophobicContact CD2-CG1 3.73Å |
| 349 | A | 98.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | V317 I355 P376 F378 V398 | V317-A349 WeakPolarHBondContact O-CA 3.39Å; A349-I355 HydrophobicContact CB-CG1 4.42Å; A349-P376 PolarHBondContact N-O 2.7Å; A349-P376 WeakPolarHBondContact O-CA 2.94Å; A349-P376 WeakPolarHBondContact O-CB 3.4Å; A349-F378 HydrophobicContact CB-CD2 3.82Å; A349-F378 HydrophobicContact CB-CE2 3.83Å; A349-V398 HydrophobicContact CB-CG1 4.08Å; A349-V398 HydrophobicContact CB-CG2 4.19Å |
| 350 | F | 98.5 | Very high | 97 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.2 | -178 | -48.3 | -98.6 | 0 | 0 | 0 | 109.8 | W62 I93 I94 I297 W315 P316 V317 L348 P376 | W62-F350 HydrophobicContact CD2-CZ 4.35Å; W62-F350 AromaticContact CE2-CZ 4Å; W62-F350 HydrophobicContact CG-CZ 4.43Å; W62-F350 HydrophobicContact CZ2-CE1 4.29Å; W62-F350 HydrophobicContact CZ2-CZ 4.5Å; W62-F350 AromaticContact NE1-CE1 3.88Å; W62-F350 AromaticContact NE1-CZ 3.8Å; I93-F350 HydrophobicContact CG2-CB 4.29Å; I94-F350 HydrophobicContact CB-CD1 4.25Å; I94-F350 HydrophobicContact CB-CE1 4.3Å; I94-F350 HydrophobicContact CG1-CB 4.35Å; I94-F350 HydrophobicContact CG1-CD1 4.11Å; I94-F350 HydrophobicContact CG1-CG 4.15Å; I94-F350 HydrophobicContact CG2-CD1 4.36Å; I94-F350 HydrophobicContact CG2-CE1 3.96Å; I94-F350 HydrophobicContact CG2-CZ 4.13Å; I94-F350 WeakPolarHBondContact O-CE1 3.38Å; I297-F350 HydrophobicContact CD1-CD2 4.26Å; I297-F350 HydrophobicContact CD1-CE2 3.49Å; I297-F350 VanDerWaalsContact CD1-CE2 3.49Å; I297-F350 HydrophobicContact CD1-CZ 4.02Å; W315-F350 HydrophobicContact CZ3-CB 3.92Å; P316-F350 CarbonylContact C-O 3.49Å; P316-F350 VanDerWaalsContact CA-O 3.28Å; P316-F350 WeakPolarHBondContact CA-O 3.22Å; P316-F350 WeakPolarHBondContact CB-O 3.37Å; V317-F350 HydrophobicContact CB-CB 4.26Å; V317-F350 HydrophobicContact CB-CD2 4.29Å; V317-F350 HydrophobicContact CG1-CD2 4.03Å; V317-F350 PolarHBondContact N-O 2.6Å; V317-F350 PolarHBondContact O-N 3.03Å; L348-F350 HydrophobicContact CB-CE2 3.7Å; L348-F350 HydrophobicContact CB-CZ 4.12Å; L348-F350 HydrophobicContact CD1-CZ 4.48Å; F350-P376 HydrophobicContact CD1-CB 3.53Å; F350-P376 HydrophobicContact CD1-CG 4.2Å; F350-P376 HydrophobicContact CD2-CB 4.42Å; F350-P376 HydrophobicContact CE1-CB 3.23Å; F350-P376 HydrophobicContact CE1-CG 3.42Å; F350-P376 VanDerWaalsContact CE1-CG 3.42Å; F350-P376 HydrophobicContact CE2-CB 4.16Å; F350-P376 HydrophobicContact CG-CB 4.14Å; F350-P376 HydrophobicContact CZ-CB 3.57Å; F350-P376 HydrophobicContact CZ-CG 3.68Å |
| 351 | S | 98 | Very high | 97.5 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | trans | -155.4 | 164.1 | 171.6 | -167.7 | 0 | 0 | 0 | 0 | 111.8 | S353 D400 R404 | S351-S353 WeakPolarHBondContact CB-O 3.46Å; S351-S353 PolarHBondContact O-N 3.31Å; S351-D400 PolarHBondContact OG-OD2 3.28Å; S351-R404 PolarHBondContact OG-NH2 3.35Å | ||
| 352 | L | 96.3 | Very high | 97.9 | Very high | 75 Ų | 75 | 26.2 Ų | 26.2 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -66.6 | -19.1 | 172.5 | -50.2 | -176.5 | 0 | 0 | 0 | 112.4 | I93 W315 | I93-L352 HydrophobicContact CD1-CB 4.5Å; I93-L352 HydrophobicContact CD1-CD2 3.17Å; I93-L352 HydrophobicContact CD1-CG 4.38Å; W315-L352 HydrophobicContact CD2-CD2 4.09Å; W315-L352 HydrophobicContact CD2-CG 4.13Å; W315-L352 VanDerWaalsContact CE2-CD2 3.43Å; W315-L352 HydrophobicContact CG-CD2 4.35Å; W315-L352 HydrophobicContact CG-CG 3.93Å; W315-L352 HydrophobicContact CZ2-CD2 3.68Å |
| 353 | S | 97.1 | Very high | 98 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -127 | 159.4 | 179.9 | -52 | 0 | 0 | 0 | 0 | 109.3 | S351 I355 S401 R404 | S351-S353 WeakPolarHBondContact CB-O 3.46Å; S351-S353 PolarHBondContact O-N 3.31Å; S353-I355 PolarHBondContact O-N 2.89Å; S353-S401 WeakPolarHBondContact CB-OG 3.3Å; S353-R404 VanDerWaalsContact CB-NH2 3.3Å; S353-R404 VanDerWaalsContact N-NH2 3.19Å; S353-R404 PolarHBondContact OG-NH2 3.33Å |
| 354 | S | 97.1 | Very high | 98 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 57% | 0.566 | 19% | 0.185 | S | C | * | . | trans | -56.6 | 133.4 | -178.8 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | T356 D400 S401 | S354-T356 PolarHBondContact O-N 3.11Å; S354-D400 CarbonylContact O-C 3.59Å; S354-D400 VanDerWaalsContact O-CA 3.3Å; S354-D400 WeakPolarHBondContact O-CA 3.49Å; S354-D400 WeakPolarHBondContact O-CB 3.41Å; S354-S401 PolarHBondContact N-OG 3.35Å; S354-S401 PolarHBondContact O-N 3.4Å; S354-S401 PolarHBondContact O-OG 2.96Å; S354-S401 WeakPolarHBondContact OG-CB 3.45Å; S354-S401 PolarHBondContact OG-OG 3.28Å | ||
| 355 | I | 98.5 | Very high | 98 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128 | 173.3 | -58.2 | -54.1 | 0 | 0 | 0 | 108.6 | P316 A349 S353 V358 F378 V398 D400 | P316-I355 HydrophobicContact CB-CD1 4.26Å; P316-I355 HydrophobicContact CG-CD1 4.34Å; A349-I355 HydrophobicContact CB-CG1 4.42Å; S353-I355 PolarHBondContact O-N 2.89Å; I355-V358 HydrophobicContact CG2-CG2 3.66Å; I355-F378 HydrophobicContact CB-CE1 4.45Å; I355-F378 HydrophobicContact CB-CE2 4.44Å; I355-F378 HydrophobicContact CB-CZ 3.77Å; I355-F378 HydrophobicContact CG1-CE2 4.4Å; I355-F378 HydrophobicContact CG1-CZ 4.2Å; I355-F378 HydrophobicContact CG2-CE1 4.04Å; I355-F378 HydrophobicContact CG2-CE2 4.39Å; I355-F378 HydrophobicContact CG2-CZ 3.74Å; I355-V398 HydrophobicContact CD1-CG1 3.71Å; I355-V398 HydrophobicContact CG1-CG1 4.39Å; I355-V398 HydrophobicContact CG2-CG1 3.82Å; I355-D400 HydrophobicContact CD1-CB 4.13Å |
| 356 | T | 97.9 | Very high | 97.9 | Very high | 83 Ų | 83 | 37.5 Ų | 37.5 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -32 | -178.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | S354 Q399 | S354-T356 PolarHBondContact O-N 3.11Å; T356-Q399 PolarHBondContact N-O 3.39Å; T356-Q399 PolarHBondContact OG1-O 3.36Å; T356-Q399 VanDerWaalsContact OG1-O 3.08Å |
| 357 | S | 98.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 149.2 | 176.8 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | V398 Q399 | S357-V398 WeakPolarHBondContact O-CA 3.18Å; S357-Q399 PolarHBondContact N-O 3.38Å; S357-Q399 PolarHBondContact O-N 3.43Å |
| 358 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 91.8 | 173.8 | 179 | 0 | 0 | 0 | 0 | 107.2 | V347 I355 Q369 A370 F378 V396 V398 | V347-V358 HydrophobicContact CG1-CG1 4.48Å; I355-V358 HydrophobicContact CG2-CG2 3.66Å; V358-Q369 VanDerWaalsContact C-OE1 3.24Å; V358-Q369 CarbonylContact O-C 3.51Å; V358-Q369 WeakPolarHBondContact O-CA 3.27Å; V358-Q369 PolarHBondContact O-OE1 3.16Å; V358-A370 HydrophobicContact CB-CB 4.01Å; V358-A370 HydrophobicContact CG1-CB 3.8Å; V358-A370 PolarHBondContact O-N 3.06Å; V358-F378 HydrophobicContact CB-CB 4.43Å; V358-F378 HydrophobicContact CB-CD1 4.12Å; V358-F378 HydrophobicContact CB-CG 4.33Å; V358-F378 HydrophobicContact CG1-CB 4.27Å; V358-F378 HydrophobicContact CG2-CB 4.24Å; V358-F378 HydrophobicContact CG2-CD1 3.48Å; V358-F378 VanDerWaalsContact CG2-CD1 3.48Å; V358-F378 HydrophobicContact CG2-CD2 4.12Å; V358-F378 HydrophobicContact CG2-CE1 3.78Å; V358-F378 HydrophobicContact CG2-CE2 4.41Å; V358-F378 HydrophobicContact CG2-CG 3.68Å; V358-F378 HydrophobicContact CG2-CZ 4.25Å; V358-V396 HydrophobicContact CG1-CG1 3.82Å; V358-V398 HydrophobicContact CG1-CG2 4.15Å; V358-V398 HydrophobicContact CG2-CG1 4.3Å; V358-V398 HydrophobicContact CG2-CG2 4.1Å |
| 359 | T | 98.7 | Very high | 97.8 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.2 | -177.2 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | H366 Q369 V396 I397 | T359-H366 VanDerWaalsContact CG2-CE1 3.46Å; T359-H366 WeakPolarHBondContact CG2-CE1 3.37Å; T359-H366 WeakPolarHBondContact CG2-ND1 3.2Å; T359-Q369 PolarHBondContact OG1-NE2 3.18Å; T359-Q369 PolarHBondContact OG1-OE1 3.32Å; T359-V396 CarbonylContact O-C 3.47Å; T359-V396 WeakPolarHBondContact O-CA 3.48Å; T359-I397 PolarHBondContact N-O 3.17Å; T359-I397 PolarHBondContact O-N 2.99Å |
| 360 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.2 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | I345 L367 G368 A370 L380 I394 V396 | I345-V360 HydrophobicContact CD1-CG1 3.79Å; I345-V360 HydrophobicContact CG2-CG1 4.35Å; V360-L367 PolarHBondContact O-N 3.24Å; V360-G368 PolarHBondContact N-O 3.16Å; V360-A370 HydrophobicContact CG2-CB 4.39Å; V360-L380 HydrophobicContact CB-CD2 3.58Å; V360-L380 HydrophobicContact CG1-CD2 4.18Å; V360-L380 HydrophobicContact CG2-CB 4.37Å; V360-L380 HydrophobicContact CG2-CD2 3.75Å; V360-I394 HydrophobicContact CG1-CD1 4.12Å; V360-I394 HydrophobicContact CG1-CG1 4.23Å; V360-V396 HydrophobicContact CG1-CG2 4.32Å; V360-V396 HydrophobicContact CG2-CG2 4.22Å |
| 361 | K | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 50 Ų | 50 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146.6 | 169.7 | -50.7 | -176.1 | -171.1 | 160.5 | 0 | 110.3 | V365 I394 E395 | K361-V365 CarbonylContact C-O 3.57Å; K361-V365 WeakPolarHBondContact CA-O 3.26Å; K361-V365 WeakPolarHBondContact CB-O 3.43Å; K361-I394 WeakPolarHBondContact O-CA 3.46Å; K361-E395 HydrophobicContact CB-CB 4.36Å; K361-E395 PolarHBondContact N-O 2.88Å; K361-E395 IonicContact NZ-OE2 3.42Å; K361-E395 PolarHBondContact O-N 2.81Å |
| 362 | I | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.9 | 168.5 | -62.9 | -175.5 | 0 | 0 | 0 | 108.1 | I345 G364 V365 L367 W382 Y387 H392 N393 I394 F412 | I345-I362 HydrophobicContact CD1-CD1 3.93Å; I362-G364 PolarHBondContact O-N 3.24Å; I362-V365 PolarHBondContact N-O 3.22Å; I362-V365 WeakPolarHBondContact O-CB 3.34Å; I362-V365 PolarHBondContact O-N 2.85Å; I362-L367 HydrophobicContact CB-CD1 4.01Å; I362-L367 HydrophobicContact CD1-CD1 3.52Å; I362-L367 HydrophobicContact CG1-CD1 3.56Å; I362-L367 HydrophobicContact CG1-CG 4.47Å; I362-W382 HydrophobicContact CD1-CE3 3.96Å; I362-W382 HydrophobicContact CD1-CZ3 3.98Å; I362-Y387 HydrophobicContact CB-CE1 4.08Å; I362-Y387 HydrophobicContact CD1-CD2 4.39Å; I362-Y387 HydrophobicContact CD1-CE1 4.29Å; I362-Y387 HydrophobicContact CD1-CE2 3.92Å; I362-Y387 HydrophobicContact CG2-CD1 3.84Å; I362-Y387 HydrophobicContact CG2-CE1 3.42Å; I362-Y387 VanDerWaalsContact CG2-CE1 3.42Å; I362-H392 HydrophobicContact CG2-CB 4.13Å; I362-N393 WeakPolarHBondContact CA-O 3.2Å; I362-I394 HydrophobicContact CG1-CB 4.35Å; I362-I394 HydrophobicContact CG1-CG1 4.21Å; I362-F412 HydrophobicContact CD1-CE1 4.12Å; I362-F412 HydrophobicContact CD1-CZ 3.92Å; I362-F412 HydrophobicContact CG1-CE1 4.45Å; I362-F412 HydrophobicContact CG2-CE1 4.12Å; I362-F412 HydrophobicContact CG2-CZ 4.18Å |
| 363 | D | 96.8 | Very high | 97.8 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 37.9 | -177.7 | -55.5 | -34.6 | 0 | 0 | 0 | 112.8 | V365 H392 N393 | D363-V365 PolarHBondContact O-N 3.42Å; D363-H392 WeakPolarHBondContact OD1-CA 3.49Å; D363-H392 IonicContact OD1-ND1 3.79Å; D363-H392 IonicContact OD2-CE1 3.92Å; D363-H392 IonicContact OD2-CG 2.83Å; D363-H392 IonicContact OD2-ND1 3.58Å; D363-H392 PolarHBondContact OD2-ND1 2.9Å; D363-N393 PolarHBondContact N-O 3.13Å; D363-N393 PolarHBondContact OD1-N 3.19Å |
| 364 | G | 96.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 64% | 0.639 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -11 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I362 | I362-G364 PolarHBondContact O-N 3.24Š|
| 365 | V | 97.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 52 Ų | 52 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125 | 179 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | K361 I362 D363 L367 | K361-V365 CarbonylContact C-O 3.57Å; K361-V365 WeakPolarHBondContact CA-O 3.26Å; K361-V365 WeakPolarHBondContact CB-O 3.43Å; I362-V365 PolarHBondContact N-O 3.22Å; I362-V365 WeakPolarHBondContact O-CB 3.34Å; I362-V365 PolarHBondContact O-N 2.85Å; D363-V365 PolarHBondContact O-N 3.42Å; V365-L367 PolarHBondContact O-N 3.04Å |
| 366 | H | 97.7 | Very high | 97.6 | Very high | 105 Ų | 105 | 50.9 Ų | 50.9 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 119 | 175.2 | 179.8 | 73 | 0 | 0 | 0 | 111.1 | T359 | T359-H366 VanDerWaalsContact CG2-CE1 3.46Å; T359-H366 WeakPolarHBondContact CG2-CE1 3.37Å; T359-H366 WeakPolarHBondContact CG2-ND1 3.2Å |
| 367 | L | 97.1 | Very high | 97.6 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -32.3 | 179.1 | -67.9 | -174.9 | 0 | 0 | 0 | 113.2 | I345 V360 I362 V365 L380 Y387 | I345-L367 HydrophobicContact CD1-CD1 4.18Å; V360-L367 PolarHBondContact O-N 3.24Å; I362-L367 HydrophobicContact CB-CD1 4.01Å; I362-L367 HydrophobicContact CD1-CD1 3.52Å; I362-L367 HydrophobicContact CG1-CD1 3.56Å; I362-L367 HydrophobicContact CG1-CG 4.47Å; V365-L367 PolarHBondContact O-N 3.04Å; L367-L380 HydrophobicContact CB-CD2 3.93Å; L367-Y387 WeakPolarHBondContact CD2-OH 3.43Å |
| 368 | G | 97.4 | Very high | 97.6 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.9 | -168.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | V360 | V360-G368 PolarHBondContact N-O 3.16Å |
| 369 | Q | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.3 | 173.8 | -63.6 | -61.1 | -33.1 | 0 | 0 | 109.9 | V358 T359 | V358-Q369 VanDerWaalsContact C-OE1 3.24Å; V358-Q369 CarbonylContact O-C 3.51Å; V358-Q369 WeakPolarHBondContact O-CA 3.27Å; V358-Q369 PolarHBondContact O-OE1 3.16Å; T359-Q369 PolarHBondContact OG1-NE2 3.18Å; T359-Q369 PolarHBondContact OG1-OE1 3.32Å |
| 370 | A | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -70 | 138 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V358 V360 F378 V379 L380 | V358-A370 HydrophobicContact CB-CB 4.01Å; V358-A370 HydrophobicContact CG1-CB 3.8Å; V358-A370 PolarHBondContact O-N 3.06Å; V360-A370 HydrophobicContact CG2-CB 4.39Å; A370-F378 HydrophobicContact CB-CB 3.92Å; A370-V379 CarbonylContact C-O 3.54Å; A370-V379 VanDerWaalsContact CA-O 3.32Å; A370-V379 WeakPolarHBondContact CA-O 3.37Å; A370-L380 HydrophobicContact CB-CB 4.04Å |
| 371 | V | 98 | Very high | 97.6 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.7 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 109 | F378 V379 | V371-F378 WeakPolarHBondContact O-CA 3.37Å; V371-V379 PolarHBondContact N-O 2.75Å; V371-V379 PolarHBondContact O-N 3.06Å |
| 372 | H | 98.3 | Very high | 97.5 | Very high | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129.4 | 172.6 | -178.2 | -127.2 | 0 | 0 | 0 | 110.3 | G375 F378 | H372-G375 PolarHBondContact NE2-O 3.13Å; H372-F378 HydrophobicContact CB-CD1 3.99Å; H372-F378 HydrophobicContact CB-CE1 3.61Å; H372-F378 HydrophobicContact CB-CZ 4.18Å; H372-F378 AromaticContact CD2-CE1 3.92Å; H372-F378 AromaticContact CD2-CE2 3.9Å; H372-F378 AromaticContact CD2-CZ 3.6Å |
| 373 | V | 97.1 | Very high | 97.3 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -63.8 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 110 | D57 I377 V379 | D57-V373 HydrophobicContact CB-CG1 4.1Å; V373-I377 HydrophobicContact CB-CG2 4.37Å; V373-I377 PolarHBondContact N-O 3.34Å; V373-V379 HydrophobicContact CG2-CB 4.18Å; V373-V379 HydrophobicContact CG2-CG1 3.75Å; V373-V379 HydrophobicContact CG2-CG2 3.42Å; V373-V379 VanDerWaalsContact CG2-CG2 3.42Å |
| 374 | S | 95.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 153.4 | 177.8 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | D57 I377 | D57-S374 WeakPolarHBondContact CB-OG 2.99Å; D57-S374 WeakPolarHBondContact OD2-CB 2.97Å; D57-S374 PolarHBondContact OD2-OG 2.83Å; S374-I377 WeakPolarHBondContact O-CB 3.31Å; S374-I377 PolarHBondContact O-N 3.07Å |
| 375 | G | 94.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | -124.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H372 | H372-G375 PolarHBondContact NE2-O 3.13Š|
| 376 | P | 97.4 | Very high | 96.7 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.5 | 177.2 | 37.5 | -38.1 | 0 | 0 | 0 | 114.8 | W62 L348 A349 F350 F378 | W62-P376 HydrophobicContact CH2-CG 3.51Å; W62-P376 HydrophobicContact CZ2-CG 3.63Å; W62-P376 HydrophobicContact CZ3-CG 4.09Å; L348-P376 CarbonylContact C-O 3.55Å; L348-P376 VanDerWaalsContact CA-O 3.32Å; L348-P376 WeakPolarHBondContact CA-O 3.29Å; L348-P376 HydrophobicContact CD2-CG 4.1Å; A349-P376 PolarHBondContact N-O 2.7Å; A349-P376 WeakPolarHBondContact O-CA 2.94Å; A349-P376 WeakPolarHBondContact O-CB 3.4Å; F350-P376 HydrophobicContact CD1-CB 3.53Å; F350-P376 HydrophobicContact CD1-CG 4.2Å; F350-P376 HydrophobicContact CD2-CB 4.42Å; F350-P376 HydrophobicContact CE1-CB 3.23Å; F350-P376 HydrophobicContact CE1-CG 3.42Å; F350-P376 VanDerWaalsContact CE1-CG 3.42Å; F350-P376 HydrophobicContact CE2-CB 4.16Å; F350-P376 HydrophobicContact CG-CB 4.14Å; F350-P376 HydrophobicContact CZ-CB 3.57Å; F350-P376 HydrophobicContact CZ-CG 3.68Å; P376-F378 WeakPolarHBondContact O-CD2 3.4Å |
| 377 | I | 98.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.4 | -168.6 | -57.6 | 166.8 | 0 | 0 | 0 | 111 | D57 I60 L348 V373 S374 V379 | D57-I377 HydrophobicContact CB-CD1 3.75Å; I60-I377 HydrophobicContact CG2-CD1 3.86Å; L348-I377 HydrophobicContact CD2-CG1 3.73Å; V373-I377 HydrophobicContact CB-CG2 4.37Å; V373-I377 PolarHBondContact N-O 3.34Å; S374-I377 WeakPolarHBondContact O-CB 3.31Å; S374-I377 PolarHBondContact O-N 3.07Å; I377-V379 HydrophobicContact CG2-CG1 4.04Å |
| 378 | F | 98.7 | Very high | 95.8 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.8 | 173.1 | -66.3 | -100.5 | 0 | 0 | 0 | 110.1 | V347 A349 I355 V358 A370 V371 H372 P376 | V347-F378 PolarHBondContact N-O 3.04Å; V347-F378 PolarHBondContact O-N 2.87Å; A349-F378 HydrophobicContact CB-CD2 3.82Å; A349-F378 HydrophobicContact CB-CE2 3.83Å; I355-F378 HydrophobicContact CB-CE1 4.45Å; I355-F378 HydrophobicContact CB-CE2 4.44Å; I355-F378 HydrophobicContact CB-CZ 3.77Å; I355-F378 HydrophobicContact CG1-CE2 4.4Å; I355-F378 HydrophobicContact CG1-CZ 4.2Å; I355-F378 HydrophobicContact CG2-CE1 4.04Å; I355-F378 HydrophobicContact CG2-CE2 4.39Å; I355-F378 HydrophobicContact CG2-CZ 3.74Å; V358-F378 HydrophobicContact CB-CB 4.43Å; V358-F378 HydrophobicContact CB-CD1 4.12Å; V358-F378 HydrophobicContact CB-CG 4.33Å; V358-F378 HydrophobicContact CG1-CB 4.27Å; V358-F378 HydrophobicContact CG2-CB 4.24Å; V358-F378 HydrophobicContact CG2-CD1 3.48Å; V358-F378 VanDerWaalsContact CG2-CD1 3.48Å; V358-F378 HydrophobicContact CG2-CD2 4.12Å; V358-F378 HydrophobicContact CG2-CE1 3.78Å; V358-F378 HydrophobicContact CG2-CE2 4.41Å; V358-F378 HydrophobicContact CG2-CG 3.68Å; V358-F378 HydrophobicContact CG2-CZ 4.25Å; A370-F378 HydrophobicContact CB-CB 3.92Å; V371-F378 WeakPolarHBondContact O-CA 3.37Å; H372-F378 HydrophobicContact CB-CD1 3.99Å; H372-F378 HydrophobicContact CB-CE1 3.61Å; H372-F378 HydrophobicContact CB-CZ 4.18Å; H372-F378 AromaticContact CD2-CE1 3.92Å; H372-F378 AromaticContact CD2-CE2 3.9Å; H372-F378 AromaticContact CD2-CZ 3.6Å; P376-F378 WeakPolarHBondContact O-CD2 3.4Å |
| 379 | V | 98.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.7 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | H344 I345 R346 A370 V371 V373 I377 | H344-V379 HydrophobicContact CB-CB 4.19Å; I345-V379 CarbonylContact O-C 3.59Å; I345-V379 VanDerWaalsContact O-CA 3.25Å; I345-V379 WeakPolarHBondContact O-CA 3.28Å; R346-V379 HydrophobicContact CG-CG1 4.08Å; A370-V379 CarbonylContact C-O 3.54Å; A370-V379 VanDerWaalsContact CA-O 3.32Å; A370-V379 WeakPolarHBondContact CA-O 3.37Å; V371-V379 PolarHBondContact N-O 2.75Å; V371-V379 PolarHBondContact O-N 3.06Å; V373-V379 HydrophobicContact CG2-CB 4.18Å; V373-V379 HydrophobicContact CG2-CG1 3.75Å; V373-V379 HydrophobicContact CG2-CG2 3.42Å; V373-V379 VanDerWaalsContact CG2-CG2 3.42Å; I377-V379 HydrophobicContact CG2-CG1 4.04Å |
| 380 | L | 98.5 | Very high | 94.7 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.3 | 173.1 | 179.5 | 65.6 | 0 | 0 | 0 | 109.6 | H344 I345 V360 L367 A370 W382 | H344-L380 CarbonylContact C-O 3.56Å; H344-L380 VanDerWaalsContact CA-O 3.23Å; H344-L380 WeakPolarHBondContact CA-O 3.4Å; I345-L380 HydrophobicContact CB-CB 4.32Å; I345-L380 PolarHBondContact N-O 2.98Å; I345-L380 PolarHBondContact O-N 2.91Å; V360-L380 HydrophobicContact CB-CD2 3.58Å; V360-L380 HydrophobicContact CG1-CD2 4.18Å; V360-L380 HydrophobicContact CG2-CB 4.37Å; V360-L380 HydrophobicContact CG2-CD2 3.75Å; L367-L380 HydrophobicContact CB-CD2 3.93Å; A370-L380 HydrophobicContact CB-CB 4.04Å; L380-W382 PolarHBondContact O-N 2.87Å |
| 381 | K | 98 | Very high | 94.5 | Very high | 173 Ų | 173 | 60 Ų | 60 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.5 | 176.8 | -172.8 | 173.8 | -179 | 179.1 | 0 | 109.8 | ||
| 382 | W | 96.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | trans | -146.5 | 175.9 | 177.5 | 83.5 | -34.6 | 0 | 0 | 0 | 111 | P323 S342 T343 H344 I345 I362 L380 P384 Y387 F412 | P323-W382 HydrophobicContact CB-CH2 3.72Å; P323-W382 HydrophobicContact CB-CZ2 4.26Å; P323-W382 HydrophobicContact CG-CH2 3.62Å; P323-W382 HydrophobicContact CG-CZ2 4.35Å; P323-W382 HydrophobicContact CG-CZ3 3.98Å; S342-W382 WeakPolarHBondContact OG-CZ2 3.25Å; S342-W382 PolarHBondContact OG-NE1 2.82Å; T343-W382 VanDerWaalsContact C-CD1 3.49Å; T343-W382 PolarHBondContact O-N 2.7Å; T343-W382 VanDerWaalsContact O-N 3.08Å; T343-W382 VanDerWaalsContact O-O 3.13Å; H344-W382 VanDerWaalsContact C-CD1 3.47Å; I345-W382 HydrophobicContact CD1-CB 4.11Å; I345-W382 HydrophobicContact CD1-CD2 4.03Å; I345-W382 HydrophobicContact CD1-CE3 3.81Å; I345-W382 HydrophobicContact CD1-CG 4.19Å; I345-W382 HydrophobicContact CG1-CB 3.97Å; I345-W382 HydrophobicContact CG1-CD2 3.48Å; I345-W382 VanDerWaalsContact CG1-CD2 3.48Å; I345-W382 HydrophobicContact CG1-CE3 3.7Å; I345-W382 HydrophobicContact CG1-CG 3.61Å; I345-W382 HydrophobicContact CG1-CZ3 4.41Å; I362-W382 HydrophobicContact CD1-CE3 3.96Å; I362-W382 HydrophobicContact CD1-CZ3 3.98Å; L380-W382 PolarHBondContact O-N 2.87Å; W382-P384 HydrophobicContact CH2-CB 4.16Å; W382-P384 HydrophobicContact CZ2-CB 3.8Å; W382-Y387 AromaticContact CE3-CD2 3.8Å; W382-Y387 HydrophobicContact CE3-CD2 3.8Å; W382-Y387 AromaticContact CE3-CE2 3.89Å; W382-Y387 HydrophobicContact CE3-CE2 3.89Å; W382-Y387 AromaticContact CZ3-CD2 3.73Å; W382-Y387 HydrophobicContact CZ3-CD2 3.73Å; W382-Y387 HydrophobicContact CZ3-CE2 4.23Å; W382-Y387 HydrophobicContact CZ3-CG 4.47Å; W382-F412 AromaticContact CH2-CE2 3.88Å; W382-F412 HydrophobicContact CH2-CE2 3.88Å; W382-F412 HydrophobicContact CH2-CZ 4.36Å; W382-F412 AromaticContact CZ3-CE2 3.84Å; W382-F412 HydrophobicContact CZ3-CE2 3.84Å; W382-F412 AromaticContact CZ3-CZ 3.88Å; W382-F412 HydrophobicContact CZ3-CZ 3.88Å | ||
| 383 | N | 94.6 | Very high | 94.4 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | trans | -127.9 | 108.8 | 170.6 | -177.3 | 2 | 0 | 0 | 0 | 109.1 | R385 N386 | N383-R385 PolarHBondContact O-N 2.94Å; N383-R385 VanDerWaalsContact O-N 3.1Å; N383-R385 WeakPolarHBondContact OD1-CB 3.03Å; N383-R385 WeakPolarHBondContact OD1-CG 3.4Å; N383-R385 PolarHBondContact OD1-N 3.46Å; N383-R385 VanDerWaalsContact OD1-N 3.13Å; N383-N386 PolarHBondContact ND2-OD1 3.28Å; N383-N386 WeakPolarHBondContact O-CB 3.49Å; N383-N386 PolarHBondContact O-N 3.06Å | ||
| 384 | P | 92.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -61.8 | -21 | -178.9 | 24.9 | -34.2 | 0 | 0 | 0 | 112.7 | L340 S342 W382 N386 Y387 S388 | L340-P384 VanDerWaalsContact O-CG 3.27Å; L340-P384 WeakPolarHBondContact O-CG 3.42Å; S342-P384 VanDerWaalsContact O-CD 3.24Å; S342-P384 WeakPolarHBondContact O-CD 3.42Å; S342-P384 WeakPolarHBondContact O-CG 3.46Å; W382-P384 HydrophobicContact CH2-CB 4.16Å; W382-P384 HydrophobicContact CZ2-CB 3.8Å; P384-N386 PolarHBondContact O-N 3.24Å; P384-Y387 CarbonylContact O-C 3.48Å; P384-Y387 PolarHBondContact O-N 2.88Å; P384-S388 PolarHBondContact O-N 3.17Å |
| 385 | R | 91.3 | Very high | 94.6 | Very high | 188 Ų | 188 | 52.4 Ų | 52.4 | 71% | 0.709 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -65 | -22.9 | 175.5 | -60.2 | -174.9 | 179.6 | -147.5 | -1.1 | 113.4 | N383 Y387 S388 | N383-R385 PolarHBondContact O-N 2.94Å; N383-R385 VanDerWaalsContact O-N 3.1Å; N383-R385 WeakPolarHBondContact OD1-CB 3.03Å; N383-R385 WeakPolarHBondContact OD1-CG 3.4Å; N383-R385 PolarHBondContact OD1-N 3.46Å; N383-R385 VanDerWaalsContact OD1-N 3.13Å; R385-Y387 PolarHBondContact O-N 2.76Å; R385-S388 PolarHBondContact O-OG 3.46Å |
| 386 | N | 92.3 | Very high | 94.8 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -70.4 | -13.8 | 174 | -63.2 | 0.2 | 0 | 0 | 0 | 112 | N383 P384 | N383-N386 PolarHBondContact ND2-OD1 3.28Å; N383-N386 WeakPolarHBondContact O-CB 3.49Å; N383-N386 PolarHBondContact O-N 3.06Å; P384-N386 PolarHBondContact O-N 3.24Å |
| 387 | Y | 92.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -127.5 | 27.8 | -174.1 | -54.6 | -72.4 | 0 | 0 | 0 | 111.3 | I362 L367 W382 P384 R385 H392 F412 A414 | I362-Y387 HydrophobicContact CB-CE1 4.08Å; I362-Y387 HydrophobicContact CD1-CD2 4.39Å; I362-Y387 HydrophobicContact CD1-CE1 4.29Å; I362-Y387 HydrophobicContact CD1-CE2 3.92Å; I362-Y387 HydrophobicContact CG2-CD1 3.84Å; I362-Y387 HydrophobicContact CG2-CE1 3.42Å; I362-Y387 VanDerWaalsContact CG2-CE1 3.42Å; L367-Y387 WeakPolarHBondContact CD2-OH 3.43Å; W382-Y387 AromaticContact CE3-CD2 3.8Å; W382-Y387 HydrophobicContact CE3-CD2 3.8Å; W382-Y387 AromaticContact CE3-CE2 3.89Å; W382-Y387 HydrophobicContact CE3-CE2 3.89Å; W382-Y387 AromaticContact CZ3-CD2 3.73Å; W382-Y387 HydrophobicContact CZ3-CD2 3.73Å; W382-Y387 HydrophobicContact CZ3-CE2 4.23Å; W382-Y387 HydrophobicContact CZ3-CG 4.47Å; P384-Y387 CarbonylContact O-C 3.48Å; P384-Y387 PolarHBondContact O-N 2.88Å; R385-Y387 PolarHBondContact O-N 2.76Å; Y387-H392 WeakPolarHBondContact CA-NE2 3.23Å; Y387-H392 AromaticContact CD1-CE1 3.87Å; Y387-H392 AromaticContact CD1-CG 3.96Å; Y387-H392 AromaticContact CD1-ND1 3.76Å; Y387-H392 PolarHBondContact O-CD2 3.46Å; Y387-H392 PolarHBondContact O-NE2 2.99Å; Y387-F412 HydrophobicContact CG-CZ 4.26Å; Y387-A414 WeakPolarHBondContact O-CB 3.41Å |
| 388 | S | 84.4 | Confident | 94.9 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | trans | -74.5 | -25.1 | -173.4 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | P384 R385 Q415 | P384-S388 PolarHBondContact O-N 3.17Å; R385-S388 PolarHBondContact O-OG 3.46Å; S388-Q415 WeakPolarHBondContact O-CG 3.43Å; S388-Q415 PolarHBondContact O-NE2 2.76Å | ||
| 389 | S | 85.4 | Confident | 94.8 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -107.1 | 125.7 | -174.3 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | H392 | S389-H392 PolarHBondContact O-NE2 3.4Š|
| 390 | G | 88.4 | Confident | 94.8 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 81.1 | -155 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S413 N418 | G390-S413 WeakPolarHBondContact O-CB 3.49Å; G390-S413 PolarHBondContact O-OG 3.42Å; G390-N418 PolarHBondContact O-ND2 2.9Å |
| 391 | T | 94.1 | Very high | 94.8 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | trans | -119 | 141.5 | -178.9 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | L326 I411 F412 N418 | L326-T391 HydrophobicContact CD2-CG2 3.55Å; T391-I411 HydrophobicContact CG2-CG2 4.31Å; T391-F412 WeakPolarHBondContact CA-O 3.41Å; T391-N418 HydrophobicContact CG2-CB 4.09Å | ||
| 392 | H | 95.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.5 | -175.9 | -62.7 | -78.5 | 0 | 0 | 0 | 110.4 | I362 D363 Y387 S389 I411 F412 | I362-H392 HydrophobicContact CG2-CB 4.13Å; D363-H392 WeakPolarHBondContact OD1-CA 3.49Å; D363-H392 IonicContact OD1-ND1 3.79Å; D363-H392 IonicContact OD2-CE1 3.92Å; D363-H392 IonicContact OD2-CG 2.83Å; D363-H392 IonicContact OD2-ND1 3.58Å; D363-H392 PolarHBondContact OD2-ND1 2.9Å; Y387-H392 WeakPolarHBondContact CA-NE2 3.23Å; Y387-H392 AromaticContact CD1-CE1 3.87Å; Y387-H392 AromaticContact CD1-CG 3.96Å; Y387-H392 AromaticContact CD1-ND1 3.76Å; Y387-H392 PolarHBondContact O-CD2 3.46Å; Y387-H392 PolarHBondContact O-NE2 2.99Å; S389-H392 PolarHBondContact O-NE2 3.4Å; H392-I411 CarbonylContact O-C 3.52Å; H392-I411 VanDerWaalsContact O-CA 3.3Å; H392-I411 WeakPolarHBondContact O-CA 3.13Å; H392-F412 HydrophobicContact CB-CD1 4.06Å; H392-F412 HydrophobicContact CB-CE1 3.45Å; H392-F412 VanDerWaalsContact CB-CE1 3.45Å; H392-F412 HydrophobicContact CB-CE2 4.07Å; H392-F412 HydrophobicContact CB-CZ 3.45Å; H392-F412 VanDerWaalsContact CB-CZ 3.45Å; H392-F412 PolarHBondContact N-O 2.83Å; H392-F412 VanDerWaalsContact O-CD1 3.31Å; H392-F412 WeakPolarHBondContact O-CD1 3.2Å; H392-F412 PolarHBondContact O-N 3.5Å |
| 393 | N | 97.7 | Very high | 94.8 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 32% | 0.316 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.7 | 176.3 | -177.5 | 55.9 | 0 | 0 | 0 | 109.9 | I362 D363 H410 | I362-N393 WeakPolarHBondContact CA-O 3.2Å; D363-N393 PolarHBondContact N-O 3.13Å; D363-N393 PolarHBondContact OD1-N 3.19Å; N393-H410 PolarHBondContact OD1-O 3.17Å |
| 394 | I | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.8 | 171.3 | -175.8 | 166.9 | 0 | 0 | 0 | 109.4 | I320 P323 I345 V360 K361 I362 V396 H409 H410 F412 | I320-I394 HydrophobicContact CD1-CG1 4.29Å; I320-I394 HydrophobicContact CD1-CG2 3.99Å; I320-I394 HydrophobicContact CG2-CD1 4.11Å; P323-I394 HydrophobicContact CG-CD1 4.03Å; I345-I394 HydrophobicContact CD1-CD1 4.22Å; I345-I394 HydrophobicContact CG2-CD1 3.89Å; V360-I394 HydrophobicContact CG1-CD1 4.12Å; V360-I394 HydrophobicContact CG1-CG1 4.23Å; K361-I394 WeakPolarHBondContact O-CA 3.46Å; I362-I394 HydrophobicContact CG1-CB 4.35Å; I362-I394 HydrophobicContact CG1-CG1 4.21Å; I394-V396 HydrophobicContact CD1-CG2 4.37Å; I394-V396 HydrophobicContact CG1-CG2 4.26Å; I394-H409 CarbonylContact O-C 3.5Å; I394-H409 WeakPolarHBondContact O-CA 3.38Å; I394-H409 WeakPolarHBondContact O-CB 3.32Å; I394-H410 VanDerWaalsContact CG2-CD2 3.44Å; I394-H410 WeakPolarHBondContact CG2-CD2 3.4Å; I394-H410 WeakPolarHBondContact CG2-NE2 3.21Å; I394-H410 WeakPolarHBondContact CG2-O 3.3Å; I394-H410 PolarHBondContact N-O 2.76Å; I394-H410 PolarHBondContact O-N 2.82Å; I394-H410 VanDerWaalsContact O-N 3.11Å; I394-F412 HydrophobicContact CB-CD1 3.89Å; I394-F412 HydrophobicContact CB-CE1 3.84Å; I394-F412 HydrophobicContact CG2-CD1 3.8Å; I394-F412 HydrophobicContact CG2-CE1 4.29Å |
| 395 | E | 98.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.2 | 170.9 | -176.4 | -172.1 | -161.9 | 0 | 0 | 109.1 | K361 I397 S407 V408 H409 | K361-E395 HydrophobicContact CB-CB 4.36Å; K361-E395 PolarHBondContact N-O 2.88Å; K361-E395 IonicContact NZ-OE2 3.42Å; K361-E395 PolarHBondContact O-N 2.81Å; E395-I397 HydrophobicContact CG-CG1 4.2Å; E395-S407 WeakPolarHBondContact CG-OG 3.46Å; E395-S407 PolarHBondContact OE1-OG 3.47Å; E395-V408 CarbonylContact C-O 3.39Å; E395-V408 WeakPolarHBondContact CA-O 3.26Å; E395-H409 HydrophobicContact CB-CB 4.15Å; E395-H409 HydrophobicContact CG-CB 4.34Å |
| 396 | V | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.3 | 174.2 | 178 | 0 | 0 | 0 | 0 | 109.6 | V318 I320 V347 V358 T359 V360 I394 V398 S407 V408 | V318-V396 HydrophobicContact CG1-CG1 4.16Å; I320-V396 HydrophobicContact CD1-CB 4.01Å; I320-V396 HydrophobicContact CD1-CG2 3.56Å; I320-V396 HydrophobicContact CG1-CB 4.14Å; I320-V396 HydrophobicContact CG1-CG2 3.74Å; V347-V396 HydrophobicContact CG1-CG1 4.09Å; V347-V396 HydrophobicContact CG2-CG1 4.13Å; V347-V396 HydrophobicContact CG2-CG2 4.03Å; V358-V396 HydrophobicContact CG1-CG1 3.82Å; T359-V396 CarbonylContact O-C 3.47Å; T359-V396 WeakPolarHBondContact O-CA 3.48Å; V360-V396 HydrophobicContact CG1-CG2 4.32Å; V360-V396 HydrophobicContact CG2-CG2 4.22Å; I394-V396 HydrophobicContact CD1-CG2 4.37Å; I394-V396 HydrophobicContact CG1-CG2 4.26Å; V396-V398 HydrophobicContact CG1-CG2 4.04Å; V396-S407 WeakPolarHBondContact O-CA 3.39Å; V396-V408 HydrophobicContact CB-CG2 4.11Å; V396-V408 PolarHBondContact N-O 3.44Å; V396-V408 PolarHBondContact O-N 2.84Å |
| 397 | I | 98.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.9 | 180 | -52.2 | 166.8 | 0 | 0 | 0 | 107.9 | T359 E395 K406 | T359-I397 PolarHBondContact N-O 3.17Å; T359-I397 PolarHBondContact O-N 2.99Å; E395-I397 HydrophobicContact CG-CG1 4.2Å; I397-K406 WeakPolarHBondContact CA-O 3.25Å |
| 398 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.9 | -179.9 | 179 | 0 | 0 | 0 | 0 | 109.3 | P316 V318 A349 I355 S357 V358 V396 S405 K406 | P316-V398 HydrophobicContact CB-CB 4.41Å; P316-V398 HydrophobicContact CB-CG1 3.9Å; P316-V398 HydrophobicContact CG-CG1 4.05Å; V318-V398 HydrophobicContact CB-CG2 4.23Å; V318-V398 HydrophobicContact CG1-CG2 3.69Å; V318-V398 HydrophobicContact CG2-CB 3.69Å; V318-V398 HydrophobicContact CG2-CG1 4.37Å; V318-V398 HydrophobicContact CG2-CG2 3.43Å; V318-V398 VanDerWaalsContact CG2-CG2 3.43Å; A349-V398 HydrophobicContact CB-CG1 4.08Å; A349-V398 HydrophobicContact CB-CG2 4.19Å; I355-V398 HydrophobicContact CD1-CG1 3.71Å; I355-V398 HydrophobicContact CG1-CG1 4.39Å; I355-V398 HydrophobicContact CG2-CG1 3.82Å; S357-V398 WeakPolarHBondContact O-CA 3.18Å; V358-V398 HydrophobicContact CG1-CG2 4.15Å; V358-V398 HydrophobicContact CG2-CG1 4.3Å; V358-V398 HydrophobicContact CG2-CG2 4.1Å; V396-V398 HydrophobicContact CG1-CG2 4.04Å; V398-S405 CarbonylContact O-C 3.44Å; V398-S405 VanDerWaalsContact O-CA 3.24Å; V398-S405 WeakPolarHBondContact O-CA 3.39Å; V398-S405 PolarHBondContact O-OG 3.37Å; V398-K406 PolarHBondContact N-O 3.37Å; V398-K406 PolarHBondContact O-N 3.28Å |
| 399 | Q | 98.4 | Very high | 96.7 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.9 | 174.5 | -168.6 | 175.3 | 1.6 | 0 | 0 | 110.3 | T356 S357 R404 | T356-Q399 PolarHBondContact N-O 3.39Å; T356-Q399 PolarHBondContact OG1-O 3.36Å; T356-Q399 VanDerWaalsContact OG1-O 3.08Å; S357-Q399 PolarHBondContact N-O 3.38Å; S357-Q399 PolarHBondContact O-N 3.43Å; Q399-R404 WeakPolarHBondContact CA-O 3.12Å |
| 400 | D | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 173.4 | 173.2 | 71.5 | 25.1 | 0 | 0 | 0 | 113.4 | P316 S351 S354 I355 A402 G403 R404 | P316-D400 HydrophobicContact CG-CB 4.42Å; S351-D400 PolarHBondContact OG-OD2 3.28Å; S354-D400 CarbonylContact O-C 3.59Å; S354-D400 VanDerWaalsContact O-CA 3.3Å; S354-D400 WeakPolarHBondContact O-CA 3.49Å; S354-D400 WeakPolarHBondContact O-CB 3.41Å; I355-D400 HydrophobicContact CD1-CB 4.13Å; D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 WeakPolarHBondContact OD1-CA 3.38Å; D400-A402 WeakPolarHBondContact OD1-CB 3.36Å; D400-A402 PolarHBondContact OD1-N 2.91Å; D400-G403 PolarHBondContact O-N 3.21Å; D400-G403 VanDerWaalsContact O-N 3.1Å; D400-G403 PolarHBondContact OD1-N 2.64Å; D400-G403 VanDerWaalsContact OD1-N 3.17Å; D400-R404 PolarHBondContact N-O 2.96Å; D400-R404 PolarHBondContact OD1-N 2.97Å; D400-R404 IonicContact OD1-NE 2.66Å; D400-R404 IonicContact OD1-NH2 2.64Å; D400-R404 IonicContact OD2-CZ 2.75Å; D400-R404 IonicContact OD2-NE 3.22Å; D400-R404 PolarHBondContact OD2-NE 2.84Å; D400-R404 IonicContact OD2-NH2 3.01Å; D400-R404 PolarHBondContact OD2-NH2 2.89Å |
| 401 | S | 98.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.3 | -178.3 | 50 | 0 | 0 | 0 | 0 | 114.3 | S353 S354 G403 | S353-S401 WeakPolarHBondContact CB-OG 3.3Å; S354-S401 PolarHBondContact N-OG 3.35Å; S354-S401 PolarHBondContact O-N 3.4Å; S354-S401 PolarHBondContact O-OG 2.96Å; S354-S401 WeakPolarHBondContact OG-CB 3.45Å; S354-S401 PolarHBondContact OG-OG 3.28Å; S401-G403 VanDerWaalsContact C-N 3.27Å |
| 402 | A | 97.3 | Very high | 97.7 | Very high | 61 Ų | 61 | 46 Ų | 46 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 2.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D400 R404 | D400-A402 PolarHBondContact O-N 2.79Å; D400-A402 WeakPolarHBondContact OD1-CA 3.38Å; D400-A402 WeakPolarHBondContact OD1-CB 3.36Å; D400-A402 PolarHBondContact OD1-N 2.91Å; A402-R404 VanDerWaalsContact C-N 3.32Å |
| 403 | G | 96.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 81.4 | 6.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D400 S401 | D400-G403 PolarHBondContact O-N 3.21Å; D400-G403 VanDerWaalsContact O-N 3.1Å; D400-G403 PolarHBondContact OD1-N 2.64Å; D400-G403 VanDerWaalsContact OD1-N 3.17Å; S401-G403 VanDerWaalsContact C-N 3.27Å |
| 404 | R | 97.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | trans | -76.1 | 143.2 | 174.3 | -59.9 | 172.8 | -66.1 | -137.3 | -11.3 | 109.2 | S351 S353 Q399 D400 A402 | S351-R404 PolarHBondContact OG-NH2 3.35Å; S353-R404 VanDerWaalsContact CB-NH2 3.3Å; S353-R404 VanDerWaalsContact N-NH2 3.19Å; S353-R404 PolarHBondContact OG-NH2 3.33Å; Q399-R404 WeakPolarHBondContact CA-O 3.12Å; D400-R404 PolarHBondContact N-O 2.96Å; D400-R404 PolarHBondContact OD1-N 2.97Å; D400-R404 IonicContact OD1-NE 2.66Å; D400-R404 IonicContact OD1-NH2 2.64Å; D400-R404 IonicContact OD2-CZ 2.75Å; D400-R404 IonicContact OD2-NE 3.22Å; D400-R404 PolarHBondContact OD2-NE 2.84Å; D400-R404 IonicContact OD2-NH2 3.01Å; D400-R404 PolarHBondContact OD2-NH2 2.89Å; A402-R404 VanDerWaalsContact C-N 3.32Å | ||
| 405 | S | 97.5 | Very high | 95.6 | Very high | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.8 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | V398 | V398-S405 CarbonylContact O-C 3.44Å; V398-S405 VanDerWaalsContact O-CA 3.24Å; V398-S405 WeakPolarHBondContact O-CA 3.39Å; V398-S405 PolarHBondContact O-OG 3.37Å |
| 406 | K | 98.1 | Very high | 94 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.9 | 176.4 | -174.3 | 68.5 | 173.8 | -178.5 | 0 | 109.8 | P316 V318 I397 V398 V408 | P316-K406 HydrophobicContact CB-CB 4.45Å; V318-K406 HydrophobicContact CG2-CB 4.12Å; V318-K406 HydrophobicContact CG2-CG 4.1Å; I397-K406 WeakPolarHBondContact CA-O 3.25Å; V398-K406 PolarHBondContact N-O 3.37Å; V398-K406 PolarHBondContact O-N 3.28Å; K406-V408 HydrophobicContact CG-CG1 4.18Å |
| 407 | S | 98.1 | Very high | 92.3 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.9 | 166.7 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | E395 V396 | E395-S407 WeakPolarHBondContact CG-OG 3.46Å; E395-S407 PolarHBondContact OE1-OG 3.47Å; V396-S407 WeakPolarHBondContact O-CA 3.39Å |
| 408 | V | 98.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.2 | 171.7 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | V318 I320 E395 V396 K406 | V318-V408 HydrophobicContact CB-CG1 4.03Å; V318-V408 HydrophobicContact CB-CG2 3.82Å; V318-V408 HydrophobicContact CG1-CG2 3.51Å; I320-V408 HydrophobicContact CD1-CG2 4.01Å; I320-V408 HydrophobicContact CG1-CG2 4.01Å; E395-V408 CarbonylContact C-O 3.39Å; E395-V408 WeakPolarHBondContact CA-O 3.26Å; V396-V408 HydrophobicContact CB-CG2 4.11Å; V396-V408 PolarHBondContact N-O 3.44Å; V396-V408 PolarHBondContact O-N 2.84Å; K406-V408 HydrophobicContact CG-CG1 4.18Å |
| 409 | H | 98 | Very high | 89.6 | Confident | 126 Ų | 126 | 62 Ų | 62 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 153 | 179.3 | 58.8 | -86.1 | 0 | 0 | 0 | 111.6 | I394 E395 | I394-H409 CarbonylContact O-C 3.5Å; I394-H409 WeakPolarHBondContact O-CA 3.38Å; I394-H409 WeakPolarHBondContact O-CB 3.32Å; E395-H409 HydrophobicContact CB-CB 4.15Å; E395-H409 HydrophobicContact CG-CB 4.34Å |
| 410 | H | 97.6 | Very high | 89 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 164.7 | 168.8 | 61.3 | -130.3 | 0 | 0 | 0 | 111.3 | P323 S325 N393 I394 | P323-H410 PolarHBondContact O-CE1 3.13Å; P323-H410 PolarHBondContact O-NE2 2.83Å; S325-H410 PolarHBondContact N-NE2 3.19Å; N393-H410 PolarHBondContact OD1-O 3.17Å; I394-H410 VanDerWaalsContact CG2-CD2 3.44Å; I394-H410 WeakPolarHBondContact CG2-CD2 3.4Å; I394-H410 WeakPolarHBondContact CG2-NE2 3.21Å; I394-H410 WeakPolarHBondContact CG2-O 3.3Å; I394-H410 PolarHBondContact N-O 2.76Å; I394-H410 PolarHBondContact O-N 2.82Å; I394-H410 VanDerWaalsContact O-N 3.11Å |
| 411 | I | 97.1 | Very high | 88.6 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 34% | 0.344 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.9 | 170.7 | -59.1 | 172.8 | 0 | 0 | 0 | 109.3 | S325 L326 T391 H392 L420 | S325-I411 CarbonylContact C-O 3.59Å; S325-I411 WeakPolarHBondContact CA-O 3.33Å; L326-I411 HydrophobicContact CB-CG2 4.49Å; L326-I411 WeakPolarHBondContact CB-O 3.46Å; L326-I411 HydrophobicContact CD2-CG2 4.27Å; L326-I411 PolarHBondContact N-O 2.82Å; T391-I411 HydrophobicContact CG2-CG2 4.31Å; H392-I411 CarbonylContact O-C 3.52Å; H392-I411 VanDerWaalsContact O-CA 3.3Å; H392-I411 WeakPolarHBondContact O-CA 3.13Å; I411-L420 HydrophobicContact CB-CD1 4.14Å; I411-L420 HydrophobicContact CD1-CD1 4.26Å; I411-L420 HydrophobicContact CG2-CD1 4.17Å |
| 412 | F | 95.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.4 | 170.8 | 75.3 | -85.3 | 0 | 0 | 0 | 110.7 | P323 K324 I362 W382 Y387 T391 H392 I394 | P323-F412 HydrophobicContact CB-CB 3.93Å; P323-F412 HydrophobicContact CB-CD1 4.33Å; P323-F412 HydrophobicContact CB-CD2 3.5Å; P323-F412 HydrophobicContact CB-CE2 4.07Å; P323-F412 HydrophobicContact CB-CG 3.66Å; P323-F412 HydrophobicContact CG-CB 4.18Å; P323-F412 HydrophobicContact CG-CD1 3.7Å; P323-F412 HydrophobicContact CG-CD2 3.61Å; P323-F412 HydrophobicContact CG-CE1 3.91Å; P323-F412 HydrophobicContact CG-CE2 3.84Å; P323-F412 HydrophobicContact CG-CG 3.54Å; P323-F412 HydrophobicContact CG-CZ 3.99Å; K324-F412 VanDerWaalsContact O-CB 3.23Å; K324-F412 WeakPolarHBondContact O-CB 3.36Å; I362-F412 HydrophobicContact CD1-CE1 4.12Å; I362-F412 HydrophobicContact CD1-CZ 3.92Å; I362-F412 HydrophobicContact CG1-CE1 4.45Å; I362-F412 HydrophobicContact CG2-CE1 4.12Å; I362-F412 HydrophobicContact CG2-CZ 4.18Å; W382-F412 AromaticContact CH2-CE2 3.88Å; W382-F412 HydrophobicContact CH2-CE2 3.88Å; W382-F412 HydrophobicContact CH2-CZ 4.36Å; W382-F412 AromaticContact CZ3-CE2 3.84Å; W382-F412 HydrophobicContact CZ3-CE2 3.84Å; W382-F412 AromaticContact CZ3-CZ 3.88Å; W382-F412 HydrophobicContact CZ3-CZ 3.88Å; Y387-F412 HydrophobicContact CG-CZ 4.26Å; T391-F412 WeakPolarHBondContact CA-O 3.41Å; H392-F412 HydrophobicContact CB-CD1 4.06Å; H392-F412 HydrophobicContact CB-CE1 3.45Å; H392-F412 VanDerWaalsContact CB-CE1 3.45Å; H392-F412 HydrophobicContact CB-CE2 4.07Å; H392-F412 HydrophobicContact CB-CZ 3.45Å; H392-F412 VanDerWaalsContact CB-CZ 3.45Å; H392-F412 PolarHBondContact N-O 2.83Å; H392-F412 VanDerWaalsContact O-CD1 3.31Å; H392-F412 WeakPolarHBondContact O-CD1 3.2Å; H392-F412 PolarHBondContact O-N 3.5Å; I394-F412 HydrophobicContact CB-CD1 3.89Å; I394-F412 HydrophobicContact CB-CE1 3.84Å; I394-F412 HydrophobicContact CG2-CD1 3.8Å; I394-F412 HydrophobicContact CG2-CE1 4.29Å |
| 413 | S | 91.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | trans | -139.3 | 141.9 | 166.2 | -171 | 0 | 0 | 0 | 0 | 108.7 | G390 Q415 N418 | G390-S413 WeakPolarHBondContact O-CB 3.49Å; G390-S413 PolarHBondContact O-OG 3.42Å; S413-Q415 PolarHBondContact OG-N 3.36Å; S413-Q415 PolarHBondContact OG-O 2.91Å; S413-N418 PolarHBondContact OG-ND2 3.45Å | ||
| 414 | A | 80.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -83.8 | -15.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L340 Y387 | L340-A414 WeakPolarHBondContact CD1-O 3.31Å; L340-A414 HydrophobicContact CD2-CB 3.75Å; L340-A414 WeakPolarHBondContact CD2-O 3.26Å; L340-A414 WeakPolarHBondContact CG-O 3.44Å; Y387-A414 WeakPolarHBondContact O-CB 3.41Å |
| 415 | Q | 73.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -112.9 | 148.4 | 176.6 | -71.6 | -178.3 | 7.8 | 0 | 0 | 111.6 | S388 S413 N417 | S388-Q415 WeakPolarHBondContact O-CG 3.43Å; S388-Q415 PolarHBondContact O-NE2 2.76Å; S413-Q415 PolarHBondContact OG-N 3.36Å; S413-Q415 PolarHBondContact OG-O 2.91Å; Q415-N417 VanDerWaalsContact C-N 3.29Å; Q415-N417 PolarHBondContact O-N 3.3Å |
| 416 | E | 64.9 | Low | 87.4 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.6 | -172.8 | -64.4 | -170.9 | 157.9 | 0 | 0 | 115 | L336 N418 | L336-E416 HydrophobicContact CB-CG 4.42Å; L336-E416 HydrophobicContact CD1-CG 4.34Å; E416-N418 PolarHBondContact O-N 3.22Å; E416-N418 VanDerWaalsContact O-N 3.11Å |
| 417 | N | 62.5 | Low | 87.2 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.6 | -169.6 | -63.8 | -10.2 | 0 | 0 | 0 | 114.4 | Q415 | Q415-N417 VanDerWaalsContact C-N 3.29Å; Q415-N417 PolarHBondContact O-N 3.3Å |
| 418 | N | 67.8 | Low | 87 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | trans | -107.2 | 131.6 | -177.6 | -64.8 | -39.8 | 0 | 0 | 0 | 110.6 | L326 G390 T391 S413 E416 | L326-N418 WeakPolarHBondContact CD1-O 3.31Å; L326-N418 HydrophobicContact CD2-CB 4.04Å; G390-N418 PolarHBondContact O-ND2 2.9Å; T391-N418 HydrophobicContact CG2-CB 4.09Å; S413-N418 PolarHBondContact OG-ND2 3.45Å; E416-N418 PolarHBondContact O-N 3.22Å; E416-N418 VanDerWaalsContact O-N 3.11Å | ||
| 419 | H | 74.8 | Confident | 86.8 | Confident | 122 Ų | 122 | 59.1 Ų | 59.1 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | trans | -127.7 | 133.8 | 173.4 | -62.7 | -55.4 | 0 | 0 | 0 | 110.3 | ||||
| 420 | L | 85.9 | Confident | 86.7 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 144.2 | 167.6 | -61.8 | 176.3 | 0 | 0 | 0 | 108.9 | L326 L327 I411 | L326-L420 HydrophobicContact CB-CD1 4.21Å; L326-L420 HydrophobicContact CD2-CD1 4.21Å; L326-L420 HydrophobicContact CD2-CG 4.01Å; L326-L420 HydrophobicContact CG-CD1 4.35Å; L326-L420 HydrophobicContact CG-CG 4.26Å; L327-L420 HydrophobicContact CB-CB 4.34Å; L327-L420 HydrophobicContact CB-CD1 4.2Å; L327-L420 HydrophobicContact CD1-CB 3.72Å; I411-L420 HydrophobicContact CB-CD1 4.14Å; I411-L420 HydrophobicContact CD1-CD1 4.26Å; I411-L420 HydrophobicContact CG2-CD1 4.17Å |
| 421 | S | 88.3 | Confident | 86.4 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -87 | 147.4 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | L327 | L327-S421 WeakPolarHBondContact CD1-O 3.39Š|
| 422 | F | 93.5 | Very high | 86.1 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 160.8 | 169.2 | -72.1 | -92.5 | 0 | 0 | 0 | 110.3 | H274 R276 L282 L327 Y328 P424 S427 | H274-F422 HydrophobicContact CB-CD1 4.15Å; H274-F422 HydrophobicContact CB-CE1 4.06Å; H274-F422 WeakPolarHBondContact O-CD1 3.24Å; R276-F422 HydrophobicContact CB-CD2 3.99Å; R276-F422 HydrophobicContact CB-CE2 3.49Å; R276-F422 VanDerWaalsContact CB-CE2 3.49Å; R276-F422 HydrophobicContact CB-CZ 4.17Å; L282-F422 HydrophobicContact CD2-CE2 4.45Å; L282-F422 HydrophobicContact CD2-CZ 3.73Å; L327-F422 HydrophobicContact CD1-CD1 4.27Å; L327-F422 HydrophobicContact CD1-CD2 4.25Å; L327-F422 HydrophobicContact CD1-CE1 4.27Å; L327-F422 HydrophobicContact CD1-CE2 4.23Å; L327-F422 HydrophobicContact CD1-CG 4.26Å; L327-F422 HydrophobicContact CD1-CZ 4.24Å; L327-F422 HydrophobicContact CD2-CE1 4.42Å; L327-F422 HydrophobicContact CG-CD1 4.41Å; L327-F422 HydrophobicContact CG-CE1 4.06Å; L327-F422 HydrophobicContact CG-CZ 4.16Å; L327-F422 WeakPolarHBondContact O-CZ 2.98Å; Y328-F422 AromaticContact CD1-CE1 3.85Å; Y328-F422 HydrophobicContact CD1-CE1 3.85Å; Y328-F422 AromaticContact CD1-CZ 3.94Å; Y328-F422 HydrophobicContact CD1-CZ 3.94Å; Y328-F422 AromaticContact CE1-CE1 3.58Å; Y328-F422 HydrophobicContact CE1-CE1 3.58Å; Y328-F422 HydrophobicContact CE1-CZ 4.16Å; F422-P424 WeakPolarHBondContact O-CD 3.44Å; F422-S427 WeakPolarHBondContact CB-OG 3.35Å |
| 423 | D | 92 | Very high | 85.8 | Confident | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 124.9 | 171.2 | -177.8 | -67.7 | 0 | 0 | 0 | 109.7 | L425 A426 S427 | D423-L425 VanDerWaalsContact C-N 3.29Å; D423-L425 PolarHBondContact O-N 3.29Å; D423-L425 WeakPolarHBondContact OD1-CA 3.08Å; D423-L425 VanDerWaalsContact OD1-CB 3.26Å; D423-L425 WeakPolarHBondContact OD1-CB 3.42Å; D423-L425 PolarHBondContact OD1-N 2.98Å; D423-A426 HydrophobicContact CB-CB 3.88Å; D423-A426 WeakPolarHBondContact O-CB 3.28Å; D423-A426 PolarHBondContact O-N 3.11Å; D423-A426 PolarHBondContact OD1-N 2.96Å; D423-S427 VanDerWaalsContact O-CB 3.31Å; D423-S427 WeakPolarHBondContact O-CB 3.36Å; D423-S427 PolarHBondContact O-N 3.43Å; D423-S427 PolarHBondContact O-OG 3.41Å |
| 424 | P | 91.1 | Very high | 85.7 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | -176.3 | -23.2 | 32.6 | 0 | 0 | 0 | 113.1 | L33 F422 F428 | L33-P424 HydrophobicContact CD1-CB 4.09Å; L33-P424 HydrophobicContact CD1-CG 4.38Å; L33-P424 HydrophobicContact CD2-CB 4.16Å; L33-P424 HydrophobicContact CD2-CG 3.55Å; L33-P424 HydrophobicContact CG-CB 4.23Å; L33-P424 HydrophobicContact CG-CG 4.13Å; F422-P424 WeakPolarHBondContact O-CD 3.44Å; P424-F428 WeakPolarHBondContact O-CB 3.42Å; P424-F428 PolarHBondContact O-N 2.9Å |
| 425 | L | 91.8 | Very high | 86 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.8 | -41.5 | 177.5 | -178.7 | 62.8 | 0 | 0 | 0 | 110.5 | M270 D423 S427 F428 I429 | M270-L425 HydrophobicContact CE-CB 4.16Å; M270-L425 HydrophobicContact CE-CD2 4.49Å; M270-L425 HydrophobicContact CE-CG 4.26Å; M270-L425 HydrophobicContact SD-CD2 4.02Å; M270-L425 HydrophobicContact SD-CG 4.02Å; D423-L425 VanDerWaalsContact C-N 3.29Å; D423-L425 PolarHBondContact O-N 3.29Å; D423-L425 WeakPolarHBondContact OD1-CA 3.08Å; D423-L425 VanDerWaalsContact OD1-CB 3.26Å; D423-L425 WeakPolarHBondContact OD1-CB 3.42Å; D423-L425 PolarHBondContact OD1-N 2.98Å; L425-S427 PolarHBondContact O-N 3.38Å; L425-F428 HydrophobicContact CD1-CD1 4.46Å; L425-F428 WeakPolarHBondContact O-CB 3.41Å; L425-F428 PolarHBondContact O-N 3.22Å; L425-I429 HydrophobicContact CD1-CD1 4.27Å; L425-I429 HydrophobicContact CG-CD1 3.97Å; L425-I429 WeakPolarHBondContact O-CD1 3.47Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.48Å; L425-I429 PolarHBondContact O-N 3.06Å |
| 426 | A | 94.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | M270 L273 H274 D423 I429 L430 | M270-A426 HydrophobicContact CE-CB 3.4Å; M270-A426 VanDerWaalsContact CE-CB 3.4Å; L273-A426 HydrophobicContact CD2-CB 4.32Å; H274-A426 WeakPolarHBondContact O-CB 3.25Å; D423-A426 HydrophobicContact CB-CB 3.88Å; D423-A426 WeakPolarHBondContact O-CB 3.28Å; D423-A426 PolarHBondContact O-N 3.11Å; D423-A426 PolarHBondContact OD1-N 2.96Å; A426-I429 PolarHBondContact O-N 3.22Å; A426-L430 WeakPolarHBondContact O-CB 3.24Å; A426-L430 WeakPolarHBondContact O-CG 3.45Å; A426-L430 PolarHBondContact O-N 3.16Å |
| 427 | S | 94.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 179.9 | -64.5 | 0 | 0 | 0 | 0 | 113 | T275 F422 D423 L425 R431 | T275-S427 WeakPolarHBondContact OG1-CB 3.4Å; T275-S427 PolarHBondContact OG1-OG 2.8Å; F422-S427 WeakPolarHBondContact CB-OG 3.35Å; D423-S427 VanDerWaalsContact O-CB 3.31Å; D423-S427 WeakPolarHBondContact O-CB 3.36Å; D423-S427 PolarHBondContact O-N 3.43Å; D423-S427 PolarHBondContact O-OG 3.41Å; L425-S427 PolarHBondContact O-N 3.38Å; S427-R431 WeakPolarHBondContact O-CB 3.48Å; S427-R431 WeakPolarHBondContact O-CG 3.3Å; S427-R431 PolarHBondContact O-N 2.89Å |
| 428 | F | 92.5 | Very high | 89.2 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 37% | 0.373 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -42.8 | 171.5 | 174.2 | -99.9 | 0 | 0 | 0 | 111.2 | Y31 P424 L425 T432 H434 | Y31-F428 HydrophobicContact CD1-CB 4.32Å; Y31-F428 HydrophobicContact CE1-CB 4.06Å; Y31-F428 HydrophobicContact CE1-CD2 4.04Å; Y31-F428 AromaticContact CE2-CD2 3.92Å; Y31-F428 HydrophobicContact CE2-CD2 3.92Å; Y31-F428 AromaticContact CZ-CD2 3.54Å; Y31-F428 WeakPolarHBondContact OH-CD2 3.46Å; P424-F428 WeakPolarHBondContact O-CB 3.42Å; P424-F428 PolarHBondContact O-N 2.9Å; L425-F428 HydrophobicContact CD1-CD1 4.46Å; L425-F428 WeakPolarHBondContact O-CB 3.41Å; L425-F428 PolarHBondContact O-N 3.22Å; F428-T432 WeakPolarHBondContact CD2-OG1 3.38Å; F428-T432 HydrophobicContact CE2-CG2 4.3Å; F428-T432 WeakPolarHBondContact O-CB 3.14Å; F428-T432 PolarHBondContact O-N 2.78Å; F428-T432 PolarHBondContact O-OG1 2.84Å; F428-H434 AromaticContact CE1-CE1 3.62Å; F428-H434 AromaticContact CZ-CE1 3.82Å; F428-H434 PolarHBondContact O-CE1 2.81Å; F428-H434 PolarHBondContact O-NE2 3.38Å; F428-H434 VanDerWaalsContact O-NE2 3.17Å |
| 429 | I | 94.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 179.5 | -69.2 | 158.1 | 0 | 0 | 0 | 111.4 | S239 L263 L266 M270 L273 L425 A426 H434 | S239-I429 WeakPolarHBondContact CB-O 3.43Å; S239-I429 PolarHBondContact OG-O 3.3Å; L263-I429 HydrophobicContact CD1-CG2 3.56Å; L266-I429 HydrophobicContact CD1-CD1 3.58Å; L266-I429 HydrophobicContact CD1-CG1 4.5Å; M270-I429 HydrophobicContact SD-CD1 3.51Å; M270-I429 VanDerWaalsContact SD-CD1 3.51Å; L273-I429 HydrophobicContact CD2-CB 4.38Å; L273-I429 HydrophobicContact CD2-CD1 3.95Å; L273-I429 HydrophobicContact CD2-CG2 4.2Å; L425-I429 HydrophobicContact CD1-CD1 4.27Å; L425-I429 HydrophobicContact CG-CD1 3.97Å; L425-I429 WeakPolarHBondContact O-CD1 3.47Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.48Å; L425-I429 PolarHBondContact O-N 3.06Å; A426-I429 PolarHBondContact O-N 3.22Å; I429-H434 PolarHBondContact O-CD2 3.31Å; I429-H434 PolarHBondContact O-NE2 2.96Å |
| 430 | L | 96 | Very high | 91 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -90.4 | -32.7 | -171.6 | -65.2 | 174.5 | 0 | 0 | 0 | 114.6 | T237 T238 S239 R249 L263 L273 T275 E283 A426 | T237-L430 HydrophobicContact CG2-CD2 3.5Å; T237-L430 VanDerWaalsContact CG2-CD2 3.5Å; T238-L430 PolarHBondContact OG1-O 3.46Å; S239-L430 VanDerWaalsContact CB-O 3.26Å; S239-L430 WeakPolarHBondContact CB-O 3.49Å; S239-L430 PolarHBondContact N-O 3.3Å; R249-L430 PolarHBondContact NH2-O 3.1Å; R249-L430 VanDerWaalsContact NH2-O 3.15Å; L263-L430 HydrophobicContact CD1-CD2 4.26Å; L273-L430 HydrophobicContact CB-CD1 4.29Å; L273-L430 VanDerWaalsContact O-CD1 3.27Å; L273-L430 WeakPolarHBondContact O-CD1 3.19Å; T275-L430 HydrophobicContact CG2-CB 3.59Å; T275-L430 HydrophobicContact CG2-CD1 3.83Å; T275-L430 HydrophobicContact CG2-CG 4.38Å; E283-L430 HydrophobicContact CG-CD1 4.44Å; A426-L430 WeakPolarHBondContact O-CB 3.24Å; A426-L430 WeakPolarHBondContact O-CG 3.45Å; A426-L430 PolarHBondContact O-N 3.16Å |
| 431 | R | 92.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -92.8 | -24.5 | -176.4 | -59 | -171.7 | -71 | 179.5 | -15.7 | 114.1 | H30 Y31 R249 T275 R276 S427 | H30-R431 VanDerWaalsContact O-CZ 3.22Å; H30-R431 PolarHBondContact O-NH1 3.4Å; H30-R431 PolarHBondContact O-NH2 2.95Å; Y31-R431 PolarHBondContact O-NH2 2.93Å; R249-R431 VanDerWaalsContact CZ-O 3.24Å; R249-R431 PolarHBondContact NH1-O 3.2Å; R249-R431 PolarHBondContact NH2-O 2.77Å; R249-R431 VanDerWaalsContact NH2-O 3.16Å; T275-R431 HydrophobicContact CG2-CG 3.74Å; R276-R431 WeakPolarHBondContact O-CD 3.38Å; S427-R431 WeakPolarHBondContact O-CB 3.48Å; S427-R431 WeakPolarHBondContact O-CG 3.3Å; S427-R431 PolarHBondContact O-N 2.89Å |
| 432 | T | 90.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -78.6 | 129.8 | -178.5 | -46.4 | 0 | 0 | 0 | 0 | 110.2 | Y31 S239 F428 H434 M437 | Y31-T432 PolarHBondContact OH-OG1 3.3Å; S239-T432 WeakPolarHBondContact CB-O 3.47Å; F428-T432 WeakPolarHBondContact CD2-OG1 3.38Å; F428-T432 HydrophobicContact CE2-CG2 4.3Å; F428-T432 WeakPolarHBondContact O-CB 3.14Å; F428-T432 PolarHBondContact O-N 2.78Å; F428-T432 PolarHBondContact O-OG1 2.84Å; T432-H434 PolarHBondContact O-CD2 2.73Å; T432-H434 VanDerWaalsContact O-CD2 3.28Å; T432-H434 PolarHBondContact O-N 3.46Å; T432-M437 HydrophobicContact CG2-CG 3.71Å |
| 433 | D | 88.9 | Confident | 91.3 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | trans | -75.7 | 81.5 | 170 | -62.4 | -29.3 | 0 | 0 | 0 | 109.6 | R249 Y435 I436 M437 | R249-D433 IonicContact CZ-OD1 3.75Å; R249-D433 IonicContact NH1-OD1 2.83Å; R249-D433 PolarHBondContact NH1-OD1 2.67Å; R249-D433 IonicContact NH1-OD2 3.52Å; R249-D433 IonicContact NH2-OD1 3.39Å; R249-D433 PolarHBondContact NH2-OD1 2.72Å; D433-Y435 HydrophobicContact CB-CD1 4.25Å; D433-Y435 HydrophobicContact CB-CE1 3.94Å; D433-Y435 PolarHBondContact O-N 3.28Å; D433-Y435 VanDerWaalsContact O-N 3.13Å; D433-I436 HydrophobicContact CB-CB 4.24Å; D433-I436 HydrophobicContact CB-CD1 3.69Å; D433-I436 HydrophobicContact CB-CG1 3.86Å; D433-I436 WeakPolarHBondContact O-CB 3.48Å; D433-I436 PolarHBondContact O-N 3.11Å; D433-M437 PolarHBondContact O-N 3.46Å | ||
| 434 | H | 88 | Confident | 91.4 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 21% | 0.213 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -30.2 | -172.9 | -69.7 | -62.5 | 0 | 0 | 0 | 113.1 | F428 I429 T432 I436 M437 A438 | F428-H434 AromaticContact CE1-CE1 3.62Å; F428-H434 AromaticContact CZ-CE1 3.82Å; F428-H434 PolarHBondContact O-CE1 2.81Å; F428-H434 PolarHBondContact O-NE2 3.38Å; F428-H434 VanDerWaalsContact O-NE2 3.17Å; I429-H434 PolarHBondContact O-CD2 3.31Å; I429-H434 PolarHBondContact O-NE2 2.96Å; T432-H434 PolarHBondContact O-CD2 2.73Å; T432-H434 VanDerWaalsContact O-CD2 3.28Å; T432-H434 PolarHBondContact O-N 3.46Å; H434-I436 VanDerWaalsContact C-N 3.31Å; H434-I436 PolarHBondContact O-N 3.34Å; H434-M437 PolarHBondContact O-N 2.85Å; H434-A438 WeakPolarHBondContact O-CB 3.22Å; H434-A438 PolarHBondContact O-N 3.13Å |
| 435 | Y | 87.9 | Confident | 91.4 | Very high | 23 Ų | 23 | 46 Ų | 46 | 9% | 0.09 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | 175.4 | 80.3 | -88.5 | 0 | 0 | 0 | 112.5 | L242 D433 R439 | L242-Y435 HydrophobicContact CD1-CD1 3.94Å; L242-Y435 HydrophobicContact CD1-CD2 4.24Å; L242-Y435 HydrophobicContact CD1-CE1 4.28Å; L242-Y435 HydrophobicContact CD1-CG 3.91Å; L242-Y435 HydrophobicContact CD2-CD2 4.32Å; L242-Y435 HydrophobicContact CD2-CE2 4.37Å; L242-Y435 HydrophobicContact CG-CD1 4.21Å; L242-Y435 HydrophobicContact CG-CD2 3.99Å; L242-Y435 HydrophobicContact CG-CE1 4.12Å; L242-Y435 HydrophobicContact CG-CE2 3.91Å; L242-Y435 HydrophobicContact CG-CG 4.14Å; D433-Y435 HydrophobicContact CB-CD1 4.25Å; D433-Y435 HydrophobicContact CB-CE1 3.94Å; D433-Y435 PolarHBondContact O-N 3.28Å; D433-Y435 VanDerWaalsContact O-N 3.13Å; Y435-R439 VanDerWaalsContact O-CB 3.26Å; Y435-R439 WeakPolarHBondContact O-CB 3.36Å; Y435-R439 PolarHBondContact O-N 3.13Å |
| 436 | I | 89.8 | Confident | 91.4 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 28% | 0.282 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.1 | -47.2 | 175.2 | -58.7 | -178.3 | 0 | 0 | 0 | 109 | D433 H434 A438 R439 I440 | D433-I436 HydrophobicContact CB-CB 4.24Å; D433-I436 HydrophobicContact CB-CD1 3.69Å; D433-I436 HydrophobicContact CB-CG1 3.86Å; D433-I436 WeakPolarHBondContact O-CB 3.48Å; D433-I436 PolarHBondContact O-N 3.11Å; H434-I436 VanDerWaalsContact C-N 3.31Å; H434-I436 PolarHBondContact O-N 3.34Å; I436-A438 PolarHBondContact O-N 3.38Å; I436-R439 WeakPolarHBondContact O-CB 3.44Å; I436-R439 PolarHBondContact O-N 3.11Å; I436-I440 HydrophobicContact CG2-CD1 3.9Å; I436-I440 HydrophobicContact CG2-CG1 4.46Å; I436-I440 WeakPolarHBondContact O-CG1 3.3Å; I436-I440 PolarHBondContact O-N 3.16Å |
| 437 | M | 90.2 | Very high | 91.3 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 49% | 0.488 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 177.3 | -65 | -58.6 | 125.3 | 0 | 0 | 111.5 | T432 D433 H434 R439 I440 L441 | T432-M437 HydrophobicContact CG2-CG 3.71Å; D433-M437 PolarHBondContact O-N 3.46Å; H434-M437 PolarHBondContact O-N 2.85Å; M437-R439 VanDerWaalsContact C-N 3.34Å; M437-R439 PolarHBondContact O-N 3.2Å; M437-I440 PolarHBondContact O-N 3.44Å; M437-L441 VanDerWaalsContact O-CB 3.29Å; M437-L441 WeakPolarHBondContact O-CB 3.48Å; M437-L441 PolarHBondContact O-N 3.1Å |
| 438 | A | 88.2 | Confident | 91.1 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H434 I436 F442 F534 I535 I538 | H434-A438 WeakPolarHBondContact O-CB 3.22Å; H434-A438 PolarHBondContact O-N 3.13Å; I436-A438 PolarHBondContact O-N 3.38Å; A438-F442 WeakPolarHBondContact O-CB 3.32Å; A438-F442 PolarHBondContact O-N 3.29Å; A438-F534 HydrophobicContact CB-CB 4.13Å; A438-I535 HydrophobicContact CB-CG1 3.78Å; A438-I538 HydrophobicContact CB-CD1 4.11Å; A438-I538 WeakPolarHBondContact O-CD1 3.42Å |
| 439 | R | 90.3 | Very high | 91 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.8 | -177.8 | -178.1 | -58.3 | 171.6 | 3.1 | 111.8 | Y435 I436 M437 F442 V443 G530 F534 | Y435-R439 VanDerWaalsContact O-CB 3.26Å; Y435-R439 WeakPolarHBondContact O-CB 3.36Å; Y435-R439 PolarHBondContact O-N 3.13Å; I436-R439 WeakPolarHBondContact O-CB 3.44Å; I436-R439 PolarHBondContact O-N 3.11Å; M437-R439 VanDerWaalsContact C-N 3.34Å; M437-R439 PolarHBondContact O-N 3.2Å; R439-F442 PolarHBondContact O-N 2.9Å; R439-V443 WeakPolarHBondContact O-CG2 3.13Å; R439-V443 PolarHBondContact O-N 3.42Å; R439-G530 PolarHBondContact NH2-O 3.37Å; R439-F534 HydrophobicContact CB-CD1 4.23Å; R439-F534 HydrophobicContact CB-CD2 3.95Å; R439-F534 HydrophobicContact CB-CE1 4.34Å; R439-F534 HydrophobicContact CB-CE2 4.07Å; R439-F534 HydrophobicContact CB-CG 4.04Å; R439-F534 HydrophobicContact CB-CZ 4.26Å; R439-F534 HydrophobicContact CG-CD1 4.2Å; R439-F534 HydrophobicContact CG-CD2 4.3Å; R439-F534 HydrophobicContact CG-CE1 3.83Å; R439-F534 HydrophobicContact CG-CE2 3.94Å; R439-F534 HydrophobicContact CG-CG 4.42Å; R439-F534 HydrophobicContact CG-CZ 3.68Å |
| 440 | I | 91.3 | Very high | 90.9 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 43% | 0.431 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 178 | -67.5 | 169.1 | 0 | 0 | 0 | 109.8 | I436 M437 F442 V443 L444 | I436-I440 HydrophobicContact CG2-CD1 3.9Å; I436-I440 HydrophobicContact CG2-CG1 4.46Å; I436-I440 WeakPolarHBondContact O-CG1 3.3Å; I436-I440 PolarHBondContact O-N 3.16Å; M437-I440 PolarHBondContact O-N 3.44Å; I440-F442 VanDerWaalsContact C-N 3.35Å; I440-F442 PolarHBondContact O-N 2.85Å; I440-V443 PolarHBondContact O-N 2.88Å; I440-L444 HydrophobicContact CG2-CD1 3.84Å; I440-L444 HydrophobicContact CG2-CG 4.23Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.03Å |
| 441 | L | 90.9 | Very high | 90.6 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 45% | 0.45 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 179 | 178.8 | 59.9 | 0 | 0 | 0 | 111.8 | M437 V443 L444 I445 I538 | M437-L441 VanDerWaalsContact O-CB 3.29Å; M437-L441 WeakPolarHBondContact O-CB 3.48Å; M437-L441 PolarHBondContact O-N 3.1Å; L441-V443 PolarHBondContact O-N 3.24Å; L441-L444 PolarHBondContact O-N 3.46Å; L441-I445 HydrophobicContact CD1-CD1 3.96Å; L441-I445 HydrophobicContact CD1-CG1 4.11Å; L441-I445 HydrophobicContact CG-CD1 3.88Å; L441-I445 HydrophobicContact CG-CG1 4.46Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.43Å; L441-I538 HydrophobicContact CB-CD1 4.2Å; L441-I538 HydrophobicContact CD2-CD1 3.97Å; L441-I538 HydrophobicContact CG-CD1 4.1Å |
| 442 | F | 91.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 175.5 | 177.6 | -102.4 | 0 | 0 | 0 | 111.4 | A438 R439 I440 L444 I445 V446 T498 V499 F534 I538 L541 | A438-F442 WeakPolarHBondContact O-CB 3.32Å; A438-F442 PolarHBondContact O-N 3.29Å; R439-F442 PolarHBondContact O-N 2.9Å; I440-F442 VanDerWaalsContact C-N 3.35Å; I440-F442 PolarHBondContact O-N 2.85Å; F442-L444 PolarHBondContact O-N 2.92Å; F442-I445 PolarHBondContact O-N 2.72Å; F442-V446 HydrophobicContact CE1-CG2 4.28Å; F442-V446 HydrophobicContact CE2-CG2 4.33Å; F442-V446 HydrophobicContact CZ-CG2 4.15Å; F442-V446 VanDerWaalsContact O-CG2 3.25Å; F442-V446 WeakPolarHBondContact O-CG2 3.47Å; F442-V446 PolarHBondContact O-N 2.86Å; F442-V446 VanDerWaalsContact O-N 3.08Å; F442-T498 HydrophobicContact CE2-CG2 4.28Å; F442-T498 HydrophobicContact CZ-CG2 4.31Å; F442-V499 HydrophobicContact CE1-CG2 4.19Å; F442-V499 HydrophobicContact CZ-CG2 4.17Å; F442-F534 HydrophobicContact CB-CD1 4.16Å; F442-F534 AromaticContact CD1-CD1 3.75Å; F442-F534 HydrophobicContact CD1-CD1 3.75Å; F442-F534 HydrophobicContact CD1-CE1 4.11Å; F442-F534 HydrophobicContact CE1-CD1 4.4Å; F442-F534 HydrophobicContact CG-CD1 4.05Å; F442-I538 HydrophobicContact CB-CD1 4.27Å; F442-I538 HydrophobicContact CB-CG1 3.91Å; F442-I538 HydrophobicContact CD2-CG1 4.19Å; F442-L541 HydrophobicContact CD2-CD1 3.75Å; F442-L541 HydrophobicContact CE2-CD1 3.55Å; F442-L541 HydrophobicContact CE2-CG 4.45Å; F442-L541 HydrophobicContact CZ-CD1 4.49Å |
| 443 | V | 91.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | R439 I440 L441 V446 L447 | R439-V443 WeakPolarHBondContact O-CG2 3.13Å; R439-V443 PolarHBondContact O-N 3.42Å; I440-V443 PolarHBondContact O-N 2.88Å; L441-V443 PolarHBondContact O-N 3.24Å; V443-V446 PolarHBondContact O-N 2.85Å; V443-L447 HydrophobicContact CG1-CD1 3.73Å; V443-L447 HydrophobicContact CG1-CG 4.13Å; V443-L447 WeakPolarHBondContact O-CB 3.36Å; V443-L447 VanDerWaalsContact O-CG 3.29Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 2.86Å |
| 444 | L | 93.1 | Very high | 90.7 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.8 | -71.4 | 175.8 | 0 | 0 | 0 | 112.4 | I440 L441 F442 L447 S448 | I440-L444 HydrophobicContact CG2-CD1 3.84Å; I440-L444 HydrophobicContact CG2-CG 4.23Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.03Å; L441-L444 PolarHBondContact O-N 3.46Å; F442-L444 PolarHBondContact O-N 2.92Å; L444-L447 PolarHBondContact O-N 3.34Å; L444-S448 VanDerWaalsContact O-CB 3.25Å; L444-S448 WeakPolarHBondContact O-CB 3.49Å; L444-S448 PolarHBondContact O-N 3.28Å; L444-S448 PolarHBondContact O-OG 3.2Å |
| 445 | I | 91.4 | Very high | 90.9 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 176.8 | -68.9 | 166.8 | 0 | 0 | 0 | 110 | L441 F442 S448 Q449 I538 L541 I546 | L441-I445 HydrophobicContact CD1-CD1 3.96Å; L441-I445 HydrophobicContact CD1-CG1 4.11Å; L441-I445 HydrophobicContact CG-CD1 3.88Å; L441-I445 HydrophobicContact CG-CG1 4.46Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.43Å; F442-I445 PolarHBondContact O-N 2.72Å; I445-S448 PolarHBondContact O-N 3.49Å; I445-Q449 WeakPolarHBondContact O-CB 3.37Å; I445-Q449 PolarHBondContact O-N 2.81Å; I445-I538 HydrophobicContact CD1-CG1 4.34Å; I445-I538 HydrophobicContact CD1-CG2 4.18Å; I445-L541 HydrophobicContact CB-CD1 4.45Å; I445-L541 HydrophobicContact CG2-CB 4.2Å; I445-L541 HydrophobicContact CG2-CD1 3.88Å; I445-I546 HydrophobicContact CG2-CD1 3.82Å |
| 446 | V | 91.7 | Very high | 91 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 178.8 | 166.3 | 0 | 0 | 0 | 0 | 111 | F442 V443 S448 Q449 L450 T495 V499 L541 | F442-V446 HydrophobicContact CE1-CG2 4.28Å; F442-V446 HydrophobicContact CE2-CG2 4.33Å; F442-V446 HydrophobicContact CZ-CG2 4.15Å; F442-V446 VanDerWaalsContact O-CG2 3.25Å; F442-V446 WeakPolarHBondContact O-CG2 3.47Å; F442-V446 PolarHBondContact O-N 2.86Å; F442-V446 VanDerWaalsContact O-N 3.08Å; V443-V446 PolarHBondContact O-N 2.85Å; V446-S448 VanDerWaalsContact C-N 3.29Å; V446-S448 PolarHBondContact O-N 2.85Å; V446-Q449 PolarHBondContact O-N 3.42Å; V446-L450 HydrophobicContact CG1-CD1 3.94Å; V446-L450 HydrophobicContact CG1-CG 4.42Å; V446-L450 WeakPolarHBondContact O-CG 3.49Å; V446-L450 PolarHBondContact O-N 3.45Å; V446-T495 HydrophobicContact CG1-CG2 4.33Å; V446-V499 HydrophobicContact CB-CG2 4.17Å; V446-V499 HydrophobicContact CG1-CG2 3.48Å; V446-V499 VanDerWaalsContact CG1-CG2 3.48Å; V446-V499 HydrophobicContact CG2-CG2 3.62Å; V446-L541 HydrophobicContact CG2-CD1 3.75Å |
| 447 | L | 91.3 | Very high | 91.1 | Very high | 90 Ų | 90 | 54.5 Ų | 54.5 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -39 | -179.2 | -71.6 | 178.2 | 0 | 0 | 0 | 111.6 | V443 L444 L450 T451 | V443-L447 HydrophobicContact CG1-CD1 3.73Å; V443-L447 HydrophobicContact CG1-CG 4.13Å; V443-L447 WeakPolarHBondContact O-CB 3.36Å; V443-L447 VanDerWaalsContact O-CG 3.29Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 2.86Å; L444-L447 PolarHBondContact O-N 3.34Å; L447-L450 PolarHBondContact O-N 3.19Å; L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 2.78Å; L447-T451 PolarHBondContact O-OG1 2.87Å |
| 448 | S | 90.4 | Very high | 91.2 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 46% | 0.462 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | L444 I445 V446 T451 I452 | L444-S448 VanDerWaalsContact O-CB 3.25Å; L444-S448 WeakPolarHBondContact O-CB 3.49Å; L444-S448 PolarHBondContact O-N 3.28Å; L444-S448 PolarHBondContact O-OG 3.2Å; I445-S448 PolarHBondContact O-N 3.49Å; V446-S448 VanDerWaalsContact C-N 3.29Å; V446-S448 PolarHBondContact O-N 2.85Å; S448-T451 PolarHBondContact O-N 3.4Å; S448-I452 VanDerWaalsContact O-CG1 3.26Å; S448-I452 WeakPolarHBondContact O-CG1 3.19Å; S448-I452 PolarHBondContact O-N 2.8Å |
| 449 | Q | 91.6 | Very high | 91 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.8 | -174 | 171.5 | 18.5 | 0 | 0 | 111.9 | I445 V446 T451 I452 L453 T495 M549 | I445-Q449 WeakPolarHBondContact O-CB 3.37Å; I445-Q449 PolarHBondContact O-N 2.81Å; V446-Q449 PolarHBondContact O-N 3.42Å; Q449-T451 PolarHBondContact O-N 2.81Å; Q449-I452 PolarHBondContact O-N 3.4Å; Q449-L453 HydrophobicContact CG-CD1 4.17Å; Q449-L453 VanDerWaalsContact O-CG 3.3Å; Q449-L453 WeakPolarHBondContact O-CG 3.29Å; Q449-L453 PolarHBondContact O-N 3.38Å; Q449-T495 HydrophobicContact CB-CG2 4.34Å; Q449-T495 HydrophobicContact CG-CG2 4.23Å; Q449-M549 HydrophobicContact CG-SD 4.46Å |
| 450 | L | 92.1 | Very high | 90.2 | Very high | 26 Ų | 26 | 63 Ų | 63 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.3 | -69.1 | 176.2 | 0 | 0 | 0 | 111.4 | V446 L447 I452 L453 I454 L492 T495 L496 | V446-L450 HydrophobicContact CG1-CD1 3.94Å; V446-L450 HydrophobicContact CG1-CG 4.42Å; V446-L450 WeakPolarHBondContact O-CG 3.49Å; V446-L450 PolarHBondContact O-N 3.45Å; L447-L450 PolarHBondContact O-N 3.19Å; L450-I452 PolarHBondContact O-N 3.48Å; L450-L453 PolarHBondContact O-N 2.84Å; L450-I454 WeakPolarHBondContact O-CB 3.27Å; L450-I454 WeakPolarHBondContact O-CD1 3.45Å; L450-I454 VanDerWaalsContact O-CG1 3.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.33Å; L450-I454 PolarHBondContact O-N 3.39Å; L450-L492 HydrophobicContact CD2-CD1 3.66Å; L450-T495 HydrophobicContact CD2-CG2 3.7Å; L450-T495 HydrophobicContact CG-CG2 3.88Å; L450-L496 HydrophobicContact CD1-CD2 4.14Å; L450-L496 HydrophobicContact CD2-CD2 4.1Å; L450-L496 HydrophobicContact CD2-CG 4.29Å |
| 451 | T | 89.9 | Confident | 89.1 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | L447 S448 Q449 L453 I454 I455 | L447-T451 WeakPolarHBondContact O-CB 3.38Å; L447-T451 PolarHBondContact O-N 2.78Å; L447-T451 PolarHBondContact O-OG1 2.87Å; S448-T451 PolarHBondContact O-N 3.4Å; Q449-T451 PolarHBondContact O-N 2.81Å; T451-L453 PolarHBondContact O-N 3.36Å; T451-I454 PolarHBondContact O-N 3.47Å; T451-I455 HydrophobicContact CG2-CD1 3.55Å; T451-I455 HydrophobicContact CG2-CG1 4.2Å; T451-I455 WeakPolarHBondContact O-CB 3.26Å; T451-I455 WeakPolarHBondContact O-CG1 3.33Å; T451-I455 PolarHBondContact O-N 3.46Å |
| 452 | I | 90.3 | Very high | 88 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 175.8 | -70.3 | 165.6 | 0 | 0 | 0 | 110.3 | S448 Q449 L450 I454 I455 F456 L478 | S448-I452 VanDerWaalsContact O-CG1 3.26Å; S448-I452 WeakPolarHBondContact O-CG1 3.19Å; S448-I452 PolarHBondContact O-N 2.8Å; Q449-I452 PolarHBondContact O-N 3.4Å; L450-I452 PolarHBondContact O-N 3.48Å; I452-I454 PolarHBondContact O-N 3.29Å; I452-I455 PolarHBondContact O-N 3.25Å; I452-F456 HydrophobicContact CG2-CD2 3.97Å; I452-F456 HydrophobicContact CG2-CE2 4.21Å; I452-F456 VanDerWaalsContact O-CD2 3.31Å; I452-F456 WeakPolarHBondContact O-CD2 3.34Å; I452-F456 PolarHBondContact O-N 2.84Å; I452-L478 HydrophobicContact CG2-CD1 4.37Å; I452-L478 HydrophobicContact CG2-CD2 4.42Å |
| 453 | L | 92 | Very high | 86.6 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | -179 | -70.2 | 168.4 | 0 | 0 | 0 | 112.2 | Q449 L450 T451 R457 L481 Y488 V491 M549 | Q449-L453 HydrophobicContact CG-CD1 4.17Å; Q449-L453 VanDerWaalsContact O-CG 3.3Å; Q449-L453 WeakPolarHBondContact O-CG 3.29Å; Q449-L453 PolarHBondContact O-N 3.38Å; L450-L453 PolarHBondContact O-N 2.84Å; T451-L453 PolarHBondContact O-N 3.36Å; L453-R457 WeakPolarHBondContact O-CB 3.29Å; L453-R457 PolarHBondContact O-N 3.22Å; L453-L481 HydrophobicContact CD2-CD2 4.07Å; L453-Y488 HydrophobicContact CB-CE2 4.19Å; L453-V491 HydrophobicContact CD1-CB 4.37Å; L453-V491 HydrophobicContact CD1-CG1 3.69Å; L453-V491 HydrophobicContact CD2-CB 4.48Å; L453-V491 HydrophobicContact CD2-CG1 4.08Å; L453-M549 HydrophobicContact CD2-SD 4.06Å |
| 454 | I | 91.7 | Very high | 85.2 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | -179.6 | -67.5 | 166.8 | 0 | 0 | 0 | 110.8 | L450 T451 I452 F456 R457 Y458 | L450-I454 WeakPolarHBondContact O-CB 3.27Å; L450-I454 WeakPolarHBondContact O-CD1 3.45Å; L450-I454 VanDerWaalsContact O-CG1 3.22Å; L450-I454 WeakPolarHBondContact O-CG1 3.33Å; L450-I454 PolarHBondContact O-N 3.39Å; T451-I454 PolarHBondContact O-N 3.47Å; I452-I454 PolarHBondContact O-N 3.29Å; I454-F456 PolarHBondContact O-N 2.9Å; I454-R457 WeakPolarHBondContact O-CB 3.2Å; I454-R457 PolarHBondContact O-N 3.39Å; I454-Y458 HydrophobicContact CG2-CD2 3.91Å; I454-Y458 HydrophobicContact CG2-CE2 4.04Å; I454-Y458 VanDerWaalsContact O-CD2 3.31Å; I454-Y458 WeakPolarHBondContact O-CD2 3.39Å; I454-Y458 PolarHBondContact O-N 3.12Å; I454-Y458 VanDerWaalsContact O-N 3.15Å |
| 455 | I | 91.2 | Very high | 83.6 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 177 | -72.7 | 172.1 | 0 | 0 | 0 | 109.7 | T451 I452 R457 Y458 R459 | T451-I455 HydrophobicContact CG2-CD1 3.55Å; T451-I455 HydrophobicContact CG2-CG1 4.2Å; T451-I455 WeakPolarHBondContact O-CB 3.26Å; T451-I455 WeakPolarHBondContact O-CG1 3.33Å; T451-I455 PolarHBondContact O-N 3.46Å; I452-I455 PolarHBondContact O-N 3.25Å; I455-R457 VanDerWaalsContact C-N 3.26Å; I455-R457 PolarHBondContact O-N 2.88Å; I455-Y458 PolarHBondContact O-N 3.33Å; I455-R459 WeakPolarHBondContact O-CB 3.13Å; I455-R459 PolarHBondContact O-N 3.16Å |
| 456 | F | 90.3 | Very high | 81.9 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 11% | 0.114 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.7 | -29.5 | -178.5 | -84.1 | -90.7 | 0 | 0 | 0 | 112.9 | I452 I454 S475 L478 H479 S482 | I452-F456 HydrophobicContact CG2-CD2 3.97Å; I452-F456 HydrophobicContact CG2-CE2 4.21Å; I452-F456 VanDerWaalsContact O-CD2 3.31Å; I452-F456 WeakPolarHBondContact O-CD2 3.34Å; I452-F456 PolarHBondContact O-N 2.84Å; I454-F456 PolarHBondContact O-N 2.9Å; F456-S475 WeakPolarHBondContact CE1-O 3.25Å; F456-S475 WeakPolarHBondContact CE1-OG 3.36Å; F456-L478 HydrophobicContact CD1-CB 3.98Å; F456-L478 HydrophobicContact CD2-CB 4.44Å; F456-L478 HydrophobicContact CE1-CB 4.05Å; F456-L478 HydrophobicContact CE2-CB 4.49Å; F456-L478 HydrophobicContact CE2-CD1 4.32Å; F456-L478 HydrophobicContact CG-CB 4.18Å; F456-L478 HydrophobicContact CZ-CB 4.29Å; F456-L478 HydrophobicContact CZ-CD1 4.38Å; F456-H479 HydrophobicContact CD1-CB 4.06Å; F456-S482 PolarHBondContact O-OG 3.38Å |
| 457 | R | 92.9 | Very high | 80.2 | Confident | 51 Ų | 51 | 80.2 Ų | 80.2 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.7 | -179.7 | 62.9 | -179.7 | -173.5 | -2 | 112.3 | L453 I454 I455 S482 K483 N485 Y488 | L453-R457 WeakPolarHBondContact O-CB 3.29Å; L453-R457 PolarHBondContact O-N 3.22Å; I454-R457 WeakPolarHBondContact O-CB 3.2Å; I454-R457 PolarHBondContact O-N 3.39Å; I455-R457 VanDerWaalsContact C-N 3.26Å; I455-R457 PolarHBondContact O-N 2.88Å; R457-S482 WeakPolarHBondContact CD-O 3.17Å; R457-S482 PolarHBondContact NH1-O 2.95Å; R457-K483 PolarHBondContact NH1-O 3.24Å; R457-K483 PolarHBondContact O-NZ 3.16Å; R457-N485 PolarHBondContact NH1-OD1 2.91Å; R457-N485 VanDerWaalsContact NH1-OD1 3.12Å; R457-N485 PolarHBondContact NH2-OD1 3.21Å; R457-Y488 HydrophobicContact CB-CD2 4.33Å; R457-Y488 HydrophobicContact CB-CE2 3.7Å; R457-Y488 HydrophobicContact CG-CE1 4.33Å; R457-Y488 HydrophobicContact CG-CE2 4Å |
| 458 | Y | 90.8 | Very high | 78.8 | Confident | 187 Ų | 187 | 77.9 Ų | 77.9 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -97.3 | -17.1 | -175.3 | -67.3 | -70 | 0 | 0 | 0 | 114.4 | I454 I455 G460 | I454-Y458 HydrophobicContact CG2-CD2 3.91Å; I454-Y458 HydrophobicContact CG2-CE2 4.04Å; I454-Y458 VanDerWaalsContact O-CD2 3.31Å; I454-Y458 WeakPolarHBondContact O-CD2 3.39Å; I454-Y458 PolarHBondContact O-N 3.12Å; I454-Y458 VanDerWaalsContact O-N 3.15Å; I455-Y458 PolarHBondContact O-N 3.33Å; Y458-G460 PolarHBondContact O-N 3.41Å |
| 459 | R | 85.4 | Confident | 77.8 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -59.5 | 138.8 | 174.5 | -165.3 | 178.1 | 174.7 | 153.8 | -0.5 | 109.3 | I455 K483 | I455-R459 WeakPolarHBondContact O-CB 3.13Å; I455-R459 PolarHBondContact O-N 3.16Å; R459-K483 PolarHBondContact O-NZ 2.86Å |
| 460 | G | 72.6 | Confident | 77 | Confident | 49 Ų | 49 | 84 Ų | 84 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | trans | -59.2 | 178.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y458 | Y458-G460 PolarHBondContact O-N 3.41Š| ||
| 461 | Y | 68.6 | Low | 76.2 | Confident | 150 Ų | 150 | 89.2 Ų | 89.2 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | trans | -59.1 | 133.3 | -178.8 | -60.8 | -79.3 | 0 | 0 | 0 | 110.8 | E463 H479 | Y461-E463 PolarHBondContact O-N 3.2Å; Y461-H479 AromaticContact CD1-NE2 3.49Å; Y461-H479 WeakPolarHBondContact CD1-NE2 3.47Å; Y461-H479 AromaticContact CE1-NE2 3.91Å | ||
| 462 | P | 66.6 | Low | 75.7 | Confident | 14 Ų | 14 | 87.6 Ų | 87.6 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | trans | -69.1 | 122 | 176.1 | 26.1 | -30.8 | 0 | 0 | 0 | 109.6 | L464 H479 | P462-L464 PolarHBondContact O-N 3.45Å; P462-L464 VanDerWaalsContact O-N 3.15Å; P462-H479 HydrophobicContact CG-CB 4.1Å | ||
| 463 | E | 63.7 | Low | 75.4 | Confident | 165 Ų | 165 | 86 Ų | 86 | 77% | 0.771 | 43% | 0.425 | S | S | * | . | trans | -66.2 | 108.8 | 166.2 | -69.8 | 177.1 | -177 | 0 | 0 | 108.7 | Y461 K465 | Y461-E463 PolarHBondContact O-N 3.2Å; E463-K465 PolarHBondContact O-N 3.45Å | ||
| 464 | L | 62.3 | Low | 75.1 | Confident | 19 Ų | 19 | 88.3 Ų | 88.3 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | trans | -76.2 | 108 | 174.4 | -72.7 | 165.2 | 0 | 0 | 0 | 108.3 | P462 N472 F476 H645 | P462-L464 PolarHBondContact O-N 3.45Å; P462-L464 VanDerWaalsContact O-N 3.15Å; L464-N472 HydrophobicContact CD2-CB 3.65Å; L464-N472 WeakPolarHBondContact CD2-O 3.25Å; L464-F476 HydrophobicContact CD1-CD2 4.02Å; L464-F476 HydrophobicContact CD2-CB 4.29Å; L464-H645 HydrophobicContact CD1-CB 4.14Å | ||
| 465 | K | 57.9 | Low | 74.9 | Confident | 152 Ų | 152 | 85.8 Ų | 85.8 | 66% | 0.661 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 140.2 | 175.7 | -66.5 | -173.8 | 178 | -174.6 | 0 | 110.8 | E463 P467 N472 | E463-K465 PolarHBondContact O-N 3.45Å; K465-P467 CarbonylContact O-C 3.48Å; K465-N472 PolarHBondContact O-ND2 3.09Å |
| 466 | E | 56.6 | Low | 74.8 | Confident | 128 Ų | 128 | 81.7 Ų | 81.7 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -77 | 145.1 | 176.1 | -71.7 | -131.8 | 110.2 | 0 | 0 | 113 | ||
| 467 | P | 55.8 | Low | 74.9 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | S | Bend | cis | -74.1 | 154.6 | -8.6 | 28.9 | -32.8 | 0 | 0 | 0 | 112.3 | K465 G469 | K465-P467 CarbonylContact O-C 3.48Å; P467-G469 PolarHBondContact O-N 2.76Å |
| 468 | S | 62.3 | Low | 74.9 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | trans | -67 | 72.8 | 178.3 | -71 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 469 | G | 69.8 | Low | 74.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | trans | -66.3 | 164.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P467 I471 N472 L473 | P467-G469 PolarHBondContact O-N 2.76Å; G469-I471 PolarHBondContact O-N 2.59Å; G469-I471 VanDerWaalsContact O-N 3.08Å; G469-N472 WeakPolarHBondContact O-CB 3.25Å; G469-N472 PolarHBondContact O-N 3.26Å; G469-L473 PolarHBondContact O-N 3.43Å | ||
| 470 | F | 73.9 | Confident | 75.3 | Confident | 171 Ų | 171 | 64.9 Ų | 64.9 | 75% | 0.75 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -49.8 | -36 | 177 | 177.9 | -100.2 | 0 | 0 | 0 | 113.3 | T474 | F470-T474 VanDerWaalsContact O-CB 3.3Å; F470-T474 WeakPolarHBondContact O-CB 3.4Å; F470-T474 PolarHBondContact O-N 2.73Å; F470-T474 PolarHBondContact O-OG1 3.33Å |
| 471 | I | 75.8 | Confident | 76.4 | Confident | 135 Ų | 135 | 62.5 Ų | 62.5 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 178 | -61.6 | 171.6 | 0 | 0 | 0 | 111.4 | G469 T474 S475 | G469-I471 PolarHBondContact O-N 2.59Å; G469-I471 VanDerWaalsContact O-N 3.08Å; I471-T474 PolarHBondContact O-N 3.18Å; I471-S475 VanDerWaalsContact O-CB 3.32Å; I471-S475 WeakPolarHBondContact O-CB 3.38Å; I471-S475 PolarHBondContact O-N 3.06Å |
| 472 | N | 79.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -43.6 | -178.6 | -73.6 | -13.6 | 0 | 0 | 0 | 111.1 | L464 K465 G469 S475 F476 | L464-N472 HydrophobicContact CD2-CB 3.65Å; L464-N472 WeakPolarHBondContact CD2-O 3.25Å; K465-N472 PolarHBondContact O-ND2 3.09Å; G469-N472 WeakPolarHBondContact O-CB 3.25Å; G469-N472 PolarHBondContact O-N 3.26Å; N472-S475 WeakPolarHBondContact O-CB 3.45Å; N472-S475 PolarHBondContact O-N 3.47Å; N472-F476 WeakPolarHBondContact O-CB 3.48Å; N472-F476 PolarHBondContact O-N 3.44Å |
| 473 | L | 84.4 | Confident | 78.9 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175 | -68.9 | 173.8 | 0 | 0 | 0 | 112.6 | G469 F476 S477 L557 F561 L642 | G469-L473 PolarHBondContact O-N 3.43Å; L473-F476 PolarHBondContact O-N 3.49Å; L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 2.92Å; L473-S477 PolarHBondContact O-OG 2.78Å; L473-L557 HydrophobicContact CB-CD2 4.08Å; L473-L557 HydrophobicContact CD2-CD1 4.32Å; L473-F561 HydrophobicContact CD2-CZ 4.25Å; L473-L642 HydrophobicContact CD2-CD1 4.27Å |
| 474 | T | 85.4 | Confident | 80.4 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 31% | 0.307 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | F470 I471 F476 S477 L478 | F470-T474 VanDerWaalsContact O-CB 3.3Å; F470-T474 WeakPolarHBondContact O-CB 3.4Å; F470-T474 PolarHBondContact O-N 2.73Å; F470-T474 PolarHBondContact O-OG1 3.33Å; I471-T474 PolarHBondContact O-N 3.18Å; T474-F476 PolarHBondContact O-N 3.03Å; T474-S477 PolarHBondContact O-N 3.17Å; T474-S477 PolarHBondContact O-OG 3.48Å; T474-L478 HydrophobicContact CG2-CD1 4.25Å; T474-L478 PolarHBondContact O-N 3.14Å |
| 475 | S | 87 | Confident | 81.9 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | F456 I471 N472 S477 L478 H479 | F456-S475 WeakPolarHBondContact CE1-O 3.25Å; F456-S475 WeakPolarHBondContact CE1-OG 3.36Å; I471-S475 VanDerWaalsContact O-CB 3.32Å; I471-S475 WeakPolarHBondContact O-CB 3.38Å; I471-S475 PolarHBondContact O-N 3.06Å; N472-S475 WeakPolarHBondContact O-CB 3.45Å; N472-S475 PolarHBondContact O-N 3.47Å; S475-S477 PolarHBondContact O-N 3.5Å; S475-L478 PolarHBondContact O-N 3.47Å; S475-H479 PolarHBondContact O-N 2.7Å |
| 476 | F | 89.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 175 | -178.4 | -94.4 | 0 | 0 | 0 | 112.1 | L464 N472 L473 T474 L478 H479 V480 L557 C560 F638 L642 | L464-F476 HydrophobicContact CD1-CD2 4.02Å; L464-F476 HydrophobicContact CD2-CB 4.29Å; N472-F476 WeakPolarHBondContact O-CB 3.48Å; N472-F476 PolarHBondContact O-N 3.44Å; L473-F476 PolarHBondContact O-N 3.49Å; T474-F476 PolarHBondContact O-N 3.03Å; F476-L478 VanDerWaalsContact C-N 3.34Å; F476-L478 PolarHBondContact O-N 2.92Å; F476-H479 WeakPolarHBondContact O-CA 3.41Å; F476-H479 VanDerWaalsContact O-CB 3.3Å; F476-H479 WeakPolarHBondContact O-CB 3.43Å; F476-H479 PolarHBondContact O-N 3.38Å; F476-H479 VanDerWaalsContact O-N 3.1Å; F476-V480 HydrophobicContact CD1-CG2 4.07Å; F476-V480 HydrophobicContact CE1-CG2 3.66Å; F476-V480 HydrophobicContact CZ-CG2 3.93Å; F476-V480 WeakPolarHBondContact O-CG2 3.13Å; F476-V480 PolarHBondContact O-N 3.27Å; F476-L557 HydrophobicContact CD1-CD1 3.78Å; F476-L557 HydrophobicContact CE1-CD1 4.24Å; F476-C560 HydrophobicContact CE1-CB 4.13Å; F476-F638 HydrophobicContact CZ-CB 3.96Å; F476-F638 WeakPolarHBondContact CZ-O 3.43Å; F476-L642 HydrophobicContact CD1-CD1 4.29Å; F476-L642 HydrophobicContact CE1-CB 4.22Å; F476-L642 HydrophobicContact CE1-CD1 4.16Å; F476-L642 HydrophobicContact CE1-CD2 4.25Å; F476-L642 HydrophobicContact CE1-CG 4.45Å; F476-L642 HydrophobicContact CZ-CB 3.93Å; F476-L642 HydrophobicContact CZ-CD1 4.45Å |
| 477 | S | 91.9 | Very high | 85.5 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 179.4 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | L473 T474 S475 V480 L481 C553 | L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 2.92Å; L473-S477 PolarHBondContact O-OG 2.78Å; T474-S477 PolarHBondContact O-N 3.17Å; T474-S477 PolarHBondContact O-OG 3.48Å; S475-S477 PolarHBondContact O-N 3.5Å; S477-V480 PolarHBondContact O-N 3.3Å; S477-L481 PolarHBondContact O-N 2.93Å; S477-C553 WeakPolarHBondContact CB-O 3.47Å |
| 478 | L | 92.3 | Very high | 87.4 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 172.9 | -79.5 | 164.3 | 0 | 0 | 0 | 111.5 | I452 F456 T474 S475 F476 L481 S482 | I452-L478 HydrophobicContact CG2-CD1 4.37Å; I452-L478 HydrophobicContact CG2-CD2 4.42Å; F456-L478 HydrophobicContact CD1-CB 3.98Å; F456-L478 HydrophobicContact CD2-CB 4.44Å; F456-L478 HydrophobicContact CE1-CB 4.05Å; F456-L478 HydrophobicContact CE2-CB 4.49Å; F456-L478 HydrophobicContact CE2-CD1 4.32Å; F456-L478 HydrophobicContact CG-CB 4.18Å; F456-L478 HydrophobicContact CZ-CB 4.29Å; F456-L478 HydrophobicContact CZ-CD1 4.38Å; T474-L478 HydrophobicContact CG2-CD1 4.25Å; T474-L478 PolarHBondContact O-N 3.14Å; S475-L478 PolarHBondContact O-N 3.47Å; F476-L478 VanDerWaalsContact C-N 3.34Å; F476-L478 PolarHBondContact O-N 2.92Å; L478-L481 PolarHBondContact O-N 3.19Å; L478-S482 VanDerWaalsContact O-CB 3.31Å; L478-S482 WeakPolarHBondContact O-CB 3.24Å; L478-S482 PolarHBondContact O-N 3.41Å; L478-S482 PolarHBondContact O-OG 3.39Å |
| 479 | H | 92.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 174 | -174.2 | 79.8 | 0 | 0 | 0 | 111 | F456 Y461 P462 S475 F476 L481 S482 K483 F638 | F456-H479 HydrophobicContact CD1-CB 4.06Å; Y461-H479 AromaticContact CD1-NE2 3.49Å; Y461-H479 WeakPolarHBondContact CD1-NE2 3.47Å; Y461-H479 AromaticContact CE1-NE2 3.91Å; P462-H479 HydrophobicContact CG-CB 4.1Å; S475-H479 PolarHBondContact O-N 2.7Å; F476-H479 WeakPolarHBondContact O-CA 3.41Å; F476-H479 VanDerWaalsContact O-CB 3.3Å; F476-H479 WeakPolarHBondContact O-CB 3.43Å; F476-H479 PolarHBondContact O-N 3.38Å; F476-H479 VanDerWaalsContact O-N 3.1Å; H479-L481 PolarHBondContact O-N 2.95Å; H479-S482 PolarHBondContact O-N 2.94Å; H479-S482 VanDerWaalsContact O-N 3.17Å; H479-S482 PolarHBondContact O-OG 2.9Å; H479-K483 WeakPolarHBondContact CE1-CE 3.45Å; H479-K483 WeakPolarHBondContact O-CG 3.2Å; H479-K483 PolarHBondContact O-N 3.49Å; H479-F638 AromaticContact CD2-CE1 3.93Å |
| 480 | V | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | F476 S477 S482 K483 I484 L556 L635 F638 | F476-V480 HydrophobicContact CD1-CG2 4.07Å; F476-V480 HydrophobicContact CE1-CG2 3.66Å; F476-V480 HydrophobicContact CZ-CG2 3.93Å; F476-V480 WeakPolarHBondContact O-CG2 3.13Å; F476-V480 PolarHBondContact O-N 3.27Å; S477-V480 PolarHBondContact O-N 3.3Å; V480-S482 VanDerWaalsContact C-N 3.3Å; V480-S482 PolarHBondContact O-N 3.49Å; V480-K483 PolarHBondContact O-N 2.69Å; V480-I484 HydrophobicContact CG1-CD1 3.73Å; V480-I484 WeakPolarHBondContact O-CG1 3.49Å; V480-I484 PolarHBondContact O-N 3.48Å; V480-L556 HydrophobicContact CG1-CB 4.21Å; V480-L556 HydrophobicContact CG1-CD1 4.43Å; V480-L556 HydrophobicContact CG1-CD2 4.45Å; V480-L635 HydrophobicContact CG1-CD2 3.98Å; V480-F638 HydrophobicContact CG1-CD2 4.16Å; V480-F638 HydrophobicContact CG1-CE2 4.44Å; V480-F638 HydrophobicContact CG1-CG 4.47Å; V480-F638 HydrophobicContact CG2-CB 4.07Å; V480-F638 HydrophobicContact CG2-CD1 3.92Å; V480-F638 HydrophobicContact CG2-CD2 4.35Å; V480-F638 HydrophobicContact CG2-CE1 4.47Å; V480-F638 HydrophobicContact CG2-CG 3.85Å |
| 481 | L | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 177.1 | -176.6 | 143.3 | 0 | 0 | 0 | 111.7 | L453 S477 L478 H479 K483 I484 F487 Y488 V491 M549 M552 C553 L556 | L453-L481 HydrophobicContact CD2-CD2 4.07Å; S477-L481 PolarHBondContact O-N 2.93Å; L478-L481 PolarHBondContact O-N 3.19Å; H479-L481 PolarHBondContact O-N 2.95Å; L481-K483 PolarHBondContact O-N 2.94Å; L481-I484 PolarHBondContact O-N 3.08Å; L481-F487 HydrophobicContact CD1-CB 4.39Å; L481-F487 HydrophobicContact CG-CB 3.94Å; L481-Y488 PolarHBondContact O-N 2.92Å; L481-V491 HydrophobicContact CD1-CG2 4.41Å; L481-V491 HydrophobicContact CD2-CG2 4.33Å; L481-M549 HydrophobicContact CD1-CG 4.41Å; L481-M552 HydrophobicContact CD1-CB 4.01Å; L481-M552 HydrophobicContact CD1-CE 4.46Å; L481-C553 VanDerWaalsContact CD1-SG 3.54Å; L481-L556 HydrophobicContact CB-CD1 3.84Å; L481-L556 HydrophobicContact CD1-CD1 4.37Å; L481-L556 HydrophobicContact CG-CD1 4.3Å |
| 482 | S | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -27.8 | -176.6 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | F456 R457 L478 H479 V480 | F456-S482 PolarHBondContact O-OG 3.38Å; R457-S482 WeakPolarHBondContact CD-O 3.17Å; R457-S482 PolarHBondContact NH1-O 2.95Å; L478-S482 VanDerWaalsContact O-CB 3.31Å; L478-S482 WeakPolarHBondContact O-CB 3.24Å; L478-S482 PolarHBondContact O-N 3.41Å; L478-S482 PolarHBondContact O-OG 3.39Å; H479-S482 PolarHBondContact O-N 2.94Å; H479-S482 VanDerWaalsContact O-N 3.17Å; H479-S482 PolarHBondContact O-OG 2.9Å; V480-S482 VanDerWaalsContact C-N 3.3Å; V480-S482 PolarHBondContact O-N 3.49Å |
| 483 | K | 93.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -84 | -24 | 180 | -64.9 | -60.8 | 179.6 | -178.6 | 0 | 112.7 | R457 R459 H479 V480 L481 N485 F638 | R457-K483 PolarHBondContact NH1-O 3.24Å; R457-K483 PolarHBondContact O-NZ 3.16Å; R459-K483 PolarHBondContact O-NZ 2.86Å; H479-K483 WeakPolarHBondContact CE1-CE 3.45Å; H479-K483 WeakPolarHBondContact O-CG 3.2Å; H479-K483 PolarHBondContact O-N 3.49Å; V480-K483 PolarHBondContact O-N 2.69Å; L481-K483 PolarHBondContact O-N 2.94Å; K483-N485 PolarHBondContact O-N 2.87Å; K483-F638 HydrophobicContact CB-CE1 4.46Å; K483-F638 HydrophobicContact CB-CZ 3.74Å; K483-F638 HydrophobicContact CG-CE1 4.43Å; K483-F638 HydrophobicContact CG-CZ 4.18Å |
| 484 | I | 93.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -88.2 | 108.6 | 178.6 | -61.2 | 165.7 | 0 | 0 | 0 | 109.8 | V480 L481 I486 F487 Y488 L556 L630 L635 | V480-I484 HydrophobicContact CG1-CD1 3.73Å; V480-I484 WeakPolarHBondContact O-CG1 3.49Å; V480-I484 PolarHBondContact O-N 3.48Å; L481-I484 PolarHBondContact O-N 3.08Å; I484-I486 VanDerWaalsContact C-N 3.34Å; I484-I486 HydrophobicContact CG2-CG2 3.81Å; I484-I486 PolarHBondContact O-N 3.36Å; I484-F487 HydrophobicContact CB-CD2 3.84Å; I484-F487 HydrophobicContact CB-CE2 4.46Å; I484-F487 HydrophobicContact CD1-CD2 4.23Å; I484-F487 HydrophobicContact CD1-CE2 4.35Å; I484-F487 HydrophobicContact CG2-CD2 3.43Å; I484-F487 VanDerWaalsContact CG2-CD2 3.43Å; I484-F487 HydrophobicContact CG2-CE2 3.72Å; I484-F487 HydrophobicContact CG2-CG 4.42Å; I484-F487 PolarHBondContact O-N 2.91Å; I484-F487 VanDerWaalsContact O-N 3.1Å; I484-Y488 PolarHBondContact O-N 3.43Å; I484-L556 HydrophobicContact CD1-CD2 4.12Å; I484-L630 HydrophobicContact CD1-CD2 3.73Å; I484-L635 HydrophobicContact CD1-CD2 3.92Å |
| 485 | N | 94.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 31.4 Ų | 31.4 | 46% | 0.46 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -49.2 | -47.1 | -172.5 | -73.3 | -6.1 | 0 | 0 | 0 | 114 | R457 K483 F487 Y488 Y489 | R457-N485 PolarHBondContact NH1-OD1 2.91Å; R457-N485 VanDerWaalsContact NH1-OD1 3.12Å; R457-N485 PolarHBondContact NH2-OD1 3.21Å; K483-N485 PolarHBondContact O-N 2.87Å; N485-F487 VanDerWaalsContact C-N 3.32Å; N485-F487 PolarHBondContact O-N 2.7Å; N485-Y488 PolarHBondContact O-N 3.44Å; N485-Y489 HydrophobicContact CB-CD2 3.94Å; N485-Y489 HydrophobicContact CB-CE2 3.93Å; N485-Y489 WeakPolarHBondContact O-CB 3.47Å; N485-Y489 WeakPolarHBondContact O-CD2 3.17Å; N485-Y489 PolarHBondContact O-N 2.84Å |
| 486 | I | 94.5 | Very high | 94.8 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 45% | 0.446 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.3 | -42 | -177 | -172.9 | 163.4 | 0 | 0 | 0 | 112.1 | I484 S490 | I484-I486 VanDerWaalsContact C-N 3.34Å; I484-I486 HydrophobicContact CG2-CG2 3.81Å; I484-I486 PolarHBondContact O-N 3.36Å; I486-S490 VanDerWaalsContact O-CB 3.22Å; I486-S490 WeakPolarHBondContact O-CB 3.26Å; I486-S490 PolarHBondContact O-N 2.85Å; I486-S490 VanDerWaalsContact O-N 3.14Å; I486-S490 PolarHBondContact O-OG 3.35Å |
| 487 | F | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -79 | -41.7 | -179.2 | -55.4 | -55.6 | 0 | 0 | 0 | 111.7 | L481 I484 N485 S490 V491 M552 L556 C626 V627 L630 | L481-F487 HydrophobicContact CD1-CB 4.39Å; L481-F487 HydrophobicContact CG-CB 3.94Å; I484-F487 HydrophobicContact CB-CD2 3.84Å; I484-F487 HydrophobicContact CB-CE2 4.46Å; I484-F487 HydrophobicContact CD1-CD2 4.23Å; I484-F487 HydrophobicContact CD1-CE2 4.35Å; I484-F487 HydrophobicContact CG2-CD2 3.43Å; I484-F487 VanDerWaalsContact CG2-CD2 3.43Å; I484-F487 HydrophobicContact CG2-CE2 3.72Å; I484-F487 HydrophobicContact CG2-CG 4.42Å; I484-F487 PolarHBondContact O-N 2.91Å; I484-F487 VanDerWaalsContact O-N 3.1Å; N485-F487 VanDerWaalsContact C-N 3.32Å; N485-F487 PolarHBondContact O-N 2.7Å; F487-S490 PolarHBondContact O-N 2.82Å; F487-V491 WeakPolarHBondContact O-CG2 3.11Å; F487-V491 PolarHBondContact O-N 2.91Å; F487-M552 HydrophobicContact CD1-SD 4.47Å; F487-L556 HydrophobicContact CD2-CD1 3.93Å; F487-L556 HydrophobicContact CD2-CD2 4.13Å; F487-L556 HydrophobicContact CE2-CD1 4.4Å; F487-L556 HydrophobicContact CE2-CD2 3.8Å; F487-L556 HydrophobicContact CG-CD1 4.4Å; F487-C626 HydrophobicContact CE1-CB 4.09Å; F487-C626 HydrophobicContact CZ-CB 4.3Å; F487-V627 HydrophobicContact CD1-CG2 3.86Å; F487-V627 HydrophobicContact CE1-CB 4.29Å; F487-V627 HydrophobicContact CE1-CG2 3.29Å; F487-V627 HydrophobicContact CE2-CG2 4.27Å; F487-V627 HydrophobicContact CZ-CB 4.17Å; F487-V627 HydrophobicContact CZ-CG2 3.54Å; F487-L630 HydrophobicContact CE2-CD1 4.36Å; F487-L630 HydrophobicContact CE2-CD2 4.16Å |
| 488 | Y | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.5 | -55 | 175.3 | 174.5 | -102.5 | 0 | 0 | 0 | 111.9 | L453 R457 L481 I484 N485 S490 V491 L492 | L453-Y488 HydrophobicContact CB-CE2 4.19Å; R457-Y488 HydrophobicContact CB-CD2 4.33Å; R457-Y488 HydrophobicContact CB-CE2 3.7Å; R457-Y488 HydrophobicContact CG-CE1 4.33Å; R457-Y488 HydrophobicContact CG-CE2 4Å; L481-Y488 PolarHBondContact O-N 2.92Å; I484-Y488 PolarHBondContact O-N 3.43Å; N485-Y488 PolarHBondContact O-N 3.44Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 2.8Å; Y488-V491 PolarHBondContact O-N 3.34Å; Y488-L492 HydrophobicContact CE1-CD2 3.91Å; Y488-L492 VanDerWaalsContact O-CB 3.26Å; Y488-L492 WeakPolarHBondContact O-CB 3.25Å; Y488-L492 PolarHBondContact O-N 3.28Å |
| 489 | Y | 97.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 37.1 Ų | 37.1 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.2 | -33.5 | -178.4 | -69.9 | -63.5 | 0 | 0 | 0 | 112.1 | N485 L492 L493 | N485-Y489 HydrophobicContact CB-CD2 3.94Å; N485-Y489 HydrophobicContact CB-CE2 3.93Å; N485-Y489 WeakPolarHBondContact O-CB 3.47Å; N485-Y489 WeakPolarHBondContact O-CD2 3.17Å; N485-Y489 PolarHBondContact O-N 2.84Å; Y489-L492 HydrophobicContact CD1-CD2 4.26Å; Y489-L493 WeakPolarHBondContact O-CB 3.4Å; Y489-L493 WeakPolarHBondContact O-CG 3.45Å; Y489-L493 PolarHBondContact O-N 3.16Å |
| 490 | S | 96.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | I486 F487 Y488 L494 L623 | I486-S490 VanDerWaalsContact O-CB 3.22Å; I486-S490 WeakPolarHBondContact O-CB 3.26Å; I486-S490 PolarHBondContact O-N 2.85Å; I486-S490 VanDerWaalsContact O-N 3.14Å; I486-S490 PolarHBondContact O-OG 3.35Å; F487-S490 PolarHBondContact O-N 2.82Å; Y488-S490 VanDerWaalsContact C-N 3.34Å; Y488-S490 PolarHBondContact O-N 2.8Å; S490-L494 VanDerWaalsContact O-CB 3.26Å; S490-L494 WeakPolarHBondContact O-CB 3.46Å; S490-L494 PolarHBondContact O-N 3.25Å; S490-L623 WeakPolarHBondContact OG-CD2 3.48Å |
| 491 | V | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -40.5 | 179.4 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | L453 L481 F487 Y488 L494 T495 M549 M552 | L453-V491 HydrophobicContact CD1-CB 4.37Å; L453-V491 HydrophobicContact CD1-CG1 3.69Å; L453-V491 HydrophobicContact CD2-CB 4.48Å; L453-V491 HydrophobicContact CD2-CG1 4.08Å; L481-V491 HydrophobicContact CD1-CG2 4.41Å; L481-V491 HydrophobicContact CD2-CG2 4.33Å; F487-V491 WeakPolarHBondContact O-CG2 3.11Å; F487-V491 PolarHBondContact O-N 2.91Å; Y488-V491 PolarHBondContact O-N 3.34Å; V491-L494 PolarHBondContact O-N 3.22Å; V491-T495 WeakPolarHBondContact O-CB 3.5Å; V491-T495 PolarHBondContact O-N 3.02Å; V491-T495 PolarHBondContact O-OG1 3.03Å; V491-M549 HydrophobicContact CG1-CB 4.22Å; V491-M549 HydrophobicContact CG1-CG 3.94Å; V491-M549 HydrophobicContact CG1-SD 3.71Å; V491-M549 HydrophobicContact CG2-CB 4.47Å; V491-M549 HydrophobicContact CG2-CG 4.28Å; V491-M552 HydrophobicContact CG2-CE 3.4Å; V491-M552 VanDerWaalsContact CG2-CE 3.4Å |
| 492 | L | 96.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -51.4 | 177 | 179.8 | 67.4 | 0 | 0 | 0 | 111.1 | L450 Y488 Y489 T495 L496 | L450-L492 HydrophobicContact CD2-CD1 3.66Å; Y488-L492 HydrophobicContact CE1-CD2 3.91Å; Y488-L492 VanDerWaalsContact O-CB 3.26Å; Y488-L492 WeakPolarHBondContact O-CB 3.25Å; Y488-L492 PolarHBondContact O-N 3.28Å; Y489-L492 HydrophobicContact CD1-CD2 4.26Å; L492-T495 PolarHBondContact O-N 3.24Å; L492-L496 HydrophobicContact CD1-CD1 4.28Å; L492-L496 HydrophobicContact CG-CD1 4.09Å; L492-L496 WeakPolarHBondContact O-CG 3.1Å; L492-L496 PolarHBondContact O-N 2.83Å |
| 493 | L | 96.6 | Very high | 95.7 | Very high | 110 Ų | 110 | 45.3 Ų | 45.3 | 58% | 0.576 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.2 | -42.8 | 178.8 | -71.6 | 171.3 | 0 | 0 | 0 | 111.2 | Y489 T495 L496 Y497 | Y489-L493 WeakPolarHBondContact O-CB 3.4Å; Y489-L493 WeakPolarHBondContact O-CG 3.45Å; Y489-L493 PolarHBondContact O-N 3.16Å; L493-T495 VanDerWaalsContact C-N 3.3Å; L493-T495 PolarHBondContact O-N 3.3Å; L493-L496 PolarHBondContact O-N 3.1Å; L493-Y497 WeakPolarHBondContact O-CB 3.44Å; L493-Y497 PolarHBondContact O-N 3.34Å |
| 494 | L | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 175.2 | 175.7 | 58.7 | 0 | 0 | 0 | 111.8 | S490 V491 Y497 T498 N545 L612 L616 | S490-L494 VanDerWaalsContact O-CB 3.26Å; S490-L494 WeakPolarHBondContact O-CB 3.46Å; S490-L494 PolarHBondContact O-N 3.25Å; V491-L494 PolarHBondContact O-N 3.22Å; L494-Y497 PolarHBondContact O-N 2.96Å; L494-T498 WeakPolarHBondContact O-CB 3.38Å; L494-T498 PolarHBondContact O-N 3.05Å; L494-T498 PolarHBondContact O-OG1 3.11Å; L494-N545 HydrophobicContact CD2-CB 4.12Å; L494-L612 HydrophobicContact CD1-CD1 4Å; L494-L616 HydrophobicContact CD1-CD1 3.89Å; L494-L616 HydrophobicContact CD1-CD2 3.73Å; L494-L616 HydrophobicContact CD1-CG 4.42Å; L494-L616 HydrophobicContact CD2-CD1 4.05Å; L494-L616 HydrophobicContact CD2-CD2 4.49Å |
| 495 | T | 95 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -49.2 | 178.8 | -52.6 | 0 | 0 | 0 | 0 | 110.8 | V446 Q449 L450 V491 L492 L493 Y497 T498 | V446-T495 HydrophobicContact CG1-CG2 4.33Å; Q449-T495 HydrophobicContact CB-CG2 4.34Å; Q449-T495 HydrophobicContact CG-CG2 4.23Å; L450-T495 HydrophobicContact CD2-CG2 3.7Å; L450-T495 HydrophobicContact CG-CG2 3.88Å; V491-T495 WeakPolarHBondContact O-CB 3.5Å; V491-T495 PolarHBondContact O-N 3.02Å; V491-T495 PolarHBondContact O-OG1 3.03Å; L492-T495 PolarHBondContact O-N 3.24Å; L493-T495 VanDerWaalsContact C-N 3.3Å; L493-T495 PolarHBondContact O-N 3.3Å; T495-Y497 PolarHBondContact O-N 2.89Å; T495-T498 PolarHBondContact O-N 2.64Å |
| 496 | L | 95.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 41 Ų | 41 | 35% | 0.346 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.6 | -68.6 | 173 | 0 | 0 | 0 | 112.1 | L450 L492 L493 T498 V499 L500 | L450-L496 HydrophobicContact CD1-CD2 4.14Å; L450-L496 HydrophobicContact CD2-CD2 4.1Å; L450-L496 HydrophobicContact CD2-CG 4.29Å; L492-L496 HydrophobicContact CD1-CD1 4.28Å; L492-L496 HydrophobicContact CG-CD1 4.09Å; L492-L496 WeakPolarHBondContact O-CG 3.1Å; L492-L496 PolarHBondContact O-N 2.83Å; L493-L496 PolarHBondContact O-N 3.1Å; L496-T498 VanDerWaalsContact C-N 3.34Å; L496-T498 PolarHBondContact O-N 3.16Å; L496-V499 PolarHBondContact O-N 3.23Å; L496-V499 VanDerWaalsContact O-N 3.14Å; L496-L500 PolarHBondContact O-N 2.9Å |
| 497 | Y | 97.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 40 Ų | 40 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -36.7 | -179.8 | -163 | -79.6 | 0 | 0 | 0 | 112 | L493 L494 T495 V499 G501 P502 P611 | L493-Y497 WeakPolarHBondContact O-CB 3.44Å; L493-Y497 PolarHBondContact O-N 3.34Å; L494-Y497 PolarHBondContact O-N 2.96Å; T495-Y497 PolarHBondContact O-N 2.89Å; Y497-V499 PolarHBondContact O-N 3.48Å; Y497-V499 VanDerWaalsContact O-N 3.17Å; Y497-G501 VanDerWaalsContact O-CA 3.32Å; Y497-G501 WeakPolarHBondContact O-CA 3.38Å; Y497-G501 PolarHBondContact O-N 2.96Å; Y497-P502 VanDerWaalsContact CE1-O 3.3Å; Y497-P502 WeakPolarHBondContact CE1-O 3.25Å; Y497-P502 WeakPolarHBondContact OH-CD 3.35Å; Y497-P502 WeakPolarHBondContact OH-CG 3.27Å; Y497-P502 PolarHBondContact OH-O 3.38Å; Y497-P502 VanDerWaalsContact OH-O 3.13Å; Y497-P611 HydrophobicContact CD1-CB 4.49Å; Y497-P611 HydrophobicContact CE1-CB 3.51Å; Y497-P611 HydrophobicContact CE1-CG 4.27Å; Y497-P611 VanDerWaalsContact OH-CB 3.26Å; Y497-P611 WeakPolarHBondContact OH-CB 3.3Å; Y497-P611 WeakPolarHBondContact OH-CG 3.34Å |
| 498 | T | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -30 | 175.2 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | F442 L494 T495 L496 W503 L541 N545 L612 | F442-T498 HydrophobicContact CE2-CG2 4.28Å; F442-T498 HydrophobicContact CZ-CG2 4.31Å; L494-T498 WeakPolarHBondContact O-CB 3.38Å; L494-T498 PolarHBondContact O-N 3.05Å; L494-T498 PolarHBondContact O-OG1 3.11Å; T495-T498 PolarHBondContact O-N 2.64Å; L496-T498 VanDerWaalsContact C-N 3.34Å; L496-T498 PolarHBondContact O-N 3.16Å; T498-W503 PolarHBondContact O-NE1 3.24Å; T498-L541 HydrophobicContact CG2-CD2 4.07Å; T498-L541 HydrophobicContact CG2-CG 4.19Å; T498-N545 PolarHBondContact OG1-ND2 3.2Å; T498-L612 HydrophobicContact CG2-CD2 4.23Å; T498-L612 WeakPolarHBondContact OG1-CD1 3.34Å |
| 499 | V | 93.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -88 | -52.8 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | F442 V446 L496 Y497 S518 | F442-V499 HydrophobicContact CE1-CG2 4.19Å; F442-V499 HydrophobicContact CZ-CG2 4.17Å; V446-V499 HydrophobicContact CB-CG2 4.17Å; V446-V499 HydrophobicContact CG1-CG2 3.48Å; V446-V499 VanDerWaalsContact CG1-CG2 3.48Å; V446-V499 HydrophobicContact CG2-CG2 3.62Å; L496-V499 PolarHBondContact O-N 3.23Å; L496-V499 VanDerWaalsContact O-N 3.14Å; Y497-V499 PolarHBondContact O-N 3.48Å; Y497-V499 VanDerWaalsContact O-N 3.17Å; V499-S518 PolarHBondContact O-OG 3.49Å |
| 500 | L | 94.4 | Very high | 96 | Very high | 119 Ų | 119 | 36.4 Ų | 36.4 | 62% | 0.623 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -98.7 | -28.7 | -165.2 | -59.3 | 174.8 | 0 | 0 | 0 | 113.4 | L496 | L496-L500 PolarHBondContact O-N 2.9Å |
| 501 | G | 95.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 38 Ų | 38 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.5 | 154.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y497 W503 F517 | Y497-G501 VanDerWaalsContact O-CA 3.32Å; Y497-G501 WeakPolarHBondContact O-CA 3.38Å; Y497-G501 PolarHBondContact O-N 2.96Å; G501-W503 PolarHBondContact O-N 2.86Å; G501-F517 WeakPolarHBondContact O-CD1 3.49Å |
| 502 | P | 96.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | trans | -66.5 | 122.5 | 169.4 | 28.1 | -33.2 | 0 | 0 | 0 | 109.5 | Y497 F504 C515 C516 F517 | Y497-P502 VanDerWaalsContact CE1-O 3.3Å; Y497-P502 WeakPolarHBondContact CE1-O 3.25Å; Y497-P502 WeakPolarHBondContact OH-CD 3.35Å; Y497-P502 WeakPolarHBondContact OH-CG 3.27Å; Y497-P502 PolarHBondContact OH-O 3.38Å; Y497-P502 VanDerWaalsContact OH-O 3.13Å; P502-F504 VanDerWaalsContact C-N 3.32Å; P502-C515 HydrophobicContact CB-CB 4.44Å; P502-C516 CarbonylContact C-O 3.51Å; P502-C516 WeakPolarHBondContact CA-O 3.38Å; P502-F517 HydrophobicContact CB-CD1 4.37Å; P502-F517 HydrophobicContact CB-CE1 3.79Å; P502-F517 HydrophobicContact CB-CZ 3.9Å; P502-F517 HydrophobicContact CG-CE1 4.35Å | ||
| 503 | W | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -67.7 | -38 | 178 | -66 | 1.7 | 0 | 0 | 0 | 111.4 | T498 G501 C516 S518 T533 I536 S610 P611 L612 | T498-W503 PolarHBondContact O-NE1 3.24Å; G501-W503 PolarHBondContact O-N 2.86Å; W503-C516 PolarHBondContact N-O 3.41Å; W503-S518 VanDerWaalsContact CZ2-CA 3.41Å; W503-S518 VanDerWaalsContact CZ2-CB 3.44Å; W503-T533 WeakPolarHBondContact CH2-O 3.2Å; W503-I536 HydrophobicContact CE3-CG2 4.42Å; W503-I536 HydrophobicContact CH2-CG2 4.41Å; W503-I536 HydrophobicContact CZ3-CB 4.06Å; W503-I536 HydrophobicContact CZ3-CG2 3.68Å; W503-S610 WeakPolarHBondContact O-CA 3.48Å; W503-S610 PolarHBondContact O-OG 2.92Å; W503-P611 WeakPolarHBondContact O-CD 3.27Å; W503-L612 HydrophobicContact CB-CB 4.25Å; W503-L612 HydrophobicContact CB-CD2 4.21Å; W503-L612 HydrophobicContact CD2-CD2 3.7Å; W503-L612 HydrophobicContact CG-CB 4.36Å; W503-L612 HydrophobicContact CG-CD2 3.52Å; W503-L612 HydrophobicContact CZ2-CD2 4.31Å; W503-L612 PolarHBondContact O-N 3Å |
| 504 | F | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 161 | 169.6 | 68.4 | -87.4 | 0 | 0 | 0 | 111.6 | Y203 P502 I508 C515 C516 L598 Y602 A606 F609 | Y203-F504 AromaticContact CE2-CE1 3.96Å; Y203-F504 HydrophobicContact CE2-CE1 3.96Å; Y203-F504 AromaticContact CE2-CZ 3.84Å; Y203-F504 HydrophobicContact CE2-CZ 3.84Å; Y203-F504 WeakPolarHBondContact OH-CE1 3.41Å; P502-F504 VanDerWaalsContact C-N 3.32Å; F504-I508 HydrophobicContact CE2-CD1 3.54Å; F504-I508 HydrophobicContact CZ-CD1 3.84Å; F504-C515 WeakPolarHBondContact O-CA 3.38Å; F504-C516 HydrophobicContact CD1-CB 3.68Å; F504-C516 HydrophobicContact CE1-CB 3.23Å; F504-C516 HydrophobicContact CE2-CB 4.25Å; F504-C516 HydrophobicContact CG-CB 4.34Å; F504-C516 HydrophobicContact CZ-CB 3.56Å; F504-C516 PolarHBondContact O-N 2.91Å; F504-L598 HydrophobicContact CB-CD1 4.42Å; F504-L598 HydrophobicContact CB-CD2 3.88Å; F504-L598 HydrophobicContact CD1-CD1 3.6Å; F504-L598 HydrophobicContact CD1-CD2 4.4Å; F504-L598 HydrophobicContact CD2-CD1 3.89Å; F504-L598 HydrophobicContact CE1-CD1 3.69Å; F504-L598 HydrophobicContact CE2-CD1 3.96Å; F504-L598 HydrophobicContact CG-CD1 3.71Å; F504-L598 HydrophobicContact CG-CD2 4.08Å; F504-L598 HydrophobicContact CG-CG 4.48Å; F504-L598 HydrophobicContact CZ-CD1 3.88Å; F504-Y602 AromaticContact CE2-CD1 3.93Å; F504-Y602 HydrophobicContact CE2-CD1 3.93Å; F504-Y602 HydrophobicContact CE2-CD2 4.15Å; F504-Y602 HydrophobicContact CE2-CE1 4.36Å; F504-Y602 AromaticContact CE2-CG 3.82Å; F504-Y602 HydrophobicContact CE2-CG 3.82Å; F504-Y602 HydrophobicContact CZ-CD1 4.22Å; F504-Y602 HydrophobicContact CZ-CD2 4.05Å; F504-Y602 HydrophobicContact CZ-CE1 4.23Å; F504-Y602 HydrophobicContact CZ-CE2 4.08Å; F504-Y602 HydrophobicContact CZ-CG 4.14Å; F504-A606 HydrophobicContact CD2-CB 3.81Å; F504-A606 HydrophobicContact CE2-CB 4.33Å; F504-F609 CarbonylContact C-O 3.59Å; F504-F609 VanDerWaalsContact CA-O 3.25Å; F504-F609 WeakPolarHBondContact CA-O 3.49Å |
| 505 | F | 97 | Very high | 95.6 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.9 | 170.5 | 175 | -102.8 | 0 | 0 | 0 | 109.7 | L513 G514 C515 L605 A606 F609 | F505-L513 HydrophobicContact CE1-CD1 4.11Å; F505-L513 HydrophobicContact CE2-CB 4.11Å; F505-L513 HydrophobicContact CZ-CB 3.82Å; F505-L513 HydrophobicContact CZ-CD1 3.76Å; F505-L513 HydrophobicContact CZ-CD2 4.49Å; F505-L513 HydrophobicContact CZ-CG 4.23Å; F505-G514 WeakPolarHBondContact CA-O 3.44Å; F505-G514 VanDerWaalsContact CD2-O 3.26Å; F505-G514 WeakPolarHBondContact CD2-O 3.25Å; F505-C515 HydrophobicContact CD2-CB 4.35Å; F505-L605 HydrophobicContact CD1-CD2 3.89Å; F505-L605 HydrophobicContact CD1-CG 4.13Å; F505-L605 HydrophobicContact CE1-CD2 3.67Å; F505-L605 HydrophobicContact CE1-CG 4.34Å; F505-L605 CarbonylContact O-C 3.55Å; F505-A606 WeakPolarHBondContact O-CA 3.44Å; F505-A606 PolarHBondContact O-N 2.95Å; F505-F609 HydrophobicContact CB-CB 4.24Å; F505-F609 PolarHBondContact N-O 2.94Å |
| 506 | G | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -172.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I508 L513 G514 | G506-I508 VanDerWaalsContact C-N 3.34Å; G506-I508 PolarHBondContact O-N 2.99Å; G506-L513 CarbonylContact O-C 3.5Å; G506-L513 WeakPolarHBondContact O-CA 3.31Å; G506-G514 PolarHBondContact N-O 2.75Å; G506-G514 PolarHBondContact O-N 2.91Å |
| 507 | E | 95 | Very high | 95.8 | Very high | 66 Ų | 66 | 38 Ų | 38 | 31% | 0.308 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 80.1 | -179.4 | -170.7 | 177.4 | -154.5 | 0 | 0 | 110.4 | K200 I509 D510 G511 L513 | K200-E507 PolarHBondContact NZ-O 3.43Å; K200-E507 VanDerWaalsContact NZ-O 3.09Å; K200-E507 IonicContact NZ-OE2 3.97Å; E507-I509 WeakPolarHBondContact CG-O 3.26Å; E507-I509 PolarHBondContact O-N 2.9Å; E507-D510 VanDerWaalsContact OE1-CA 3.25Å; E507-D510 WeakPolarHBondContact OE1-CA 3.22Å; E507-G511 PolarHBondContact OE1-N 3.11Å; E507-L513 HydrophobicContact CB-CD2 4.4Å |
| 508 | I | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -35.2 | -179.9 | -58.5 | -59.7 | 0 | 0 | 0 | 111.3 | P199 K200 F504 G506 K512 I521 V523 Y602 | P199-I508 HydrophobicContact CB-CG2 3.68Å; K200-I508 WeakPolarHBondContact CG-O 3.37Å; K200-I508 PolarHBondContact N-O 3.35Å; F504-I508 HydrophobicContact CE2-CD1 3.54Å; F504-I508 HydrophobicContact CZ-CD1 3.84Å; G506-I508 VanDerWaalsContact C-N 3.34Å; G506-I508 PolarHBondContact O-N 2.99Å; I508-K512 PolarHBondContact N-O 2.83Å; I508-I521 HydrophobicContact CD1-CG2 4.13Å; I508-I521 HydrophobicContact CG1-CG2 4.03Å; I508-I521 HydrophobicContact CG2-CG2 3.91Å; I508-V523 HydrophobicContact CB-CB 4.16Å; I508-V523 HydrophobicContact CB-CG2 3.93Å; I508-V523 HydrophobicContact CG1-CB 4.48Å; I508-V523 HydrophobicContact CG2-CB 4.13Å; I508-V523 HydrophobicContact CG2-CG1 4.14Å; I508-V523 HydrophobicContact CG2-CG2 4.2Å; I508-Y602 HydrophobicContact CD1-CD1 3.99Å; I508-Y602 HydrophobicContact CD1-CE1 3.88Å |
| 509 | I | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.1 | 171.8 | -60 | 161.6 | 0 | 0 | 0 | 106.4 | N152 P154 P197 E507 G511 K512 V523 | N152-I509 WeakPolarHBondContact OD1-CA 3.29Å; P154-I509 HydrophobicContact CB-CG2 4.01Å; P197-I509 HydrophobicContact CB-CD1 3.61Å; P197-I509 HydrophobicContact CG-CD1 4.03Å; E507-I509 WeakPolarHBondContact CG-O 3.26Å; E507-I509 PolarHBondContact O-N 2.9Å; I509-G511 PolarHBondContact O-N 3.42Å; I509-K512 HydrophobicContact CB-CB 4.13Å; I509-K512 HydrophobicContact CB-CG 4.5Å; I509-K512 CarbonylContact O-C 3.53Å; I509-K512 WeakPolarHBondContact O-CA 3.41Å; I509-K512 PolarHBondContact O-N 2.88Å; I509-V523 HydrophobicContact CD1-CG1 4.3Å; I509-V523 HydrophobicContact CD1-CG2 4.02Å; I509-V523 HydrophobicContact CG1-CG2 4.44Å |
| 510 | D | 93.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 28% | 0.283 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 127.9 | 177.7 | -67.7 | -8.1 | 0 | 0 | 0 | 111.5 | N152 K160 K200 E507 K512 | N152-D510 PolarHBondContact ND2-OD1 3.45Å; N152-D510 PolarHBondContact ND2-OD2 2.96Å; N152-D510 PolarHBondContact OD1-N 3.45Å; K160-D510 IonicContact NZ-OD2 2.69Å; K160-D510 PolarHBondContact NZ-OD2 2.92Å; K200-D510 WeakPolarHBondContact CE-OD1 3.29Å; K200-D510 IonicContact NZ-OD1 2.76Å; K200-D510 PolarHBondContact NZ-OD1 3.19Å; E507-D510 VanDerWaalsContact OE1-CA 3.25Å; E507-D510 WeakPolarHBondContact OE1-CA 3.22Å; D510-K512 VanDerWaalsContact C-N 3.27Å; D510-K512 PolarHBondContact O-N 3.49Å |
| 511 | G | 92.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 68% | 0.68 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 0.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E507 I509 | E507-G511 PolarHBondContact OE1-N 3.11Å; I509-G511 PolarHBondContact O-N 3.42Å |
| 512 | K | 95.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 110 | -173.4 | -56.5 | -65.3 | -176 | 168 | 0 | 111.6 | P154 I508 I509 D510 V523 N524 | P154-K512 HydrophobicContact CB-CG 4.48Å; I508-K512 PolarHBondContact N-O 2.83Å; I509-K512 HydrophobicContact CB-CB 4.13Å; I509-K512 HydrophobicContact CB-CG 4.5Å; I509-K512 CarbonylContact O-C 3.53Å; I509-K512 WeakPolarHBondContact O-CA 3.41Å; I509-K512 PolarHBondContact O-N 2.88Å; D510-K512 VanDerWaalsContact C-N 3.27Å; D510-K512 PolarHBondContact O-N 3.49Å; K512-V523 HydrophobicContact CB-CG2 4.01Å; K512-N524 HydrophobicContact CD-CB 4.24Å; K512-N524 WeakPolarHBondContact CD-OD1 3.19Å; K512-N524 WeakPolarHBondContact CE-OD1 3.26Å; K512-N524 HydrophobicContact CG-CB 4.48Å; K512-N524 PolarHBondContact NZ-OD1 2.93Å |
| 513 | L | 95.7 | Very high | 95.5 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 48% | 0.482 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 149.3 | 175.2 | -62.5 | 178 | 0 | 0 | 0 | 111.6 | F505 G506 E507 L605 | F505-L513 HydrophobicContact CE1-CD1 4.11Å; F505-L513 HydrophobicContact CE2-CB 4.11Å; F505-L513 HydrophobicContact CZ-CB 3.82Å; F505-L513 HydrophobicContact CZ-CD1 3.76Å; F505-L513 HydrophobicContact CZ-CD2 4.49Å; F505-L513 HydrophobicContact CZ-CG 4.23Å; G506-L513 CarbonylContact O-C 3.5Å; G506-L513 WeakPolarHBondContact O-CA 3.31Å; E507-L513 HydrophobicContact CB-CD2 4.4Å; L513-L605 HydrophobicContact CD1-CD2 4.38Å; L513-L605 HydrophobicContact CD2-CD2 3.44Å; L513-L605 VanDerWaalsContact CD2-CD2 3.44Å |
| 514 | G | 96.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 173 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F505 G506 F522 | F505-G514 WeakPolarHBondContact CA-O 3.44Å; F505-G514 VanDerWaalsContact CD2-O 3.26Å; F505-G514 WeakPolarHBondContact CD2-O 3.25Å; G506-G514 PolarHBondContact N-O 2.75Å; G506-G514 PolarHBondContact O-N 2.91Å; G514-F522 CarbonylContact C-O 3.5Å; G514-F522 WeakPolarHBondContact CA-O 3.45Å |
| 515 | C | 96.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.1 | 179.5 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | P502 F504 F505 F517 I521 F522 | P502-C515 HydrophobicContact CB-CB 4.44Å; F504-C515 WeakPolarHBondContact O-CA 3.38Å; F505-C515 HydrophobicContact CD2-CB 4.35Å; C515-F517 HydrophobicContact CB-CE2 3.83Å; C515-F517 HydrophobicContact CB-CZ 4.28Å; C515-F517 WeakPolarHBondContact SG-CE2 3.27Å; C515-I521 WeakPolarHBondContact O-CA 3.46Å; C515-F522 PolarHBondContact N-O 3.41Å; C515-F522 PolarHBondContact O-N 3.49Å |
| 516 | C | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.1 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | P502 W503 F504 I521 | P502-C516 CarbonylContact C-O 3.51Å; P502-C516 WeakPolarHBondContact CA-O 3.38Å; W503-C516 PolarHBondContact N-O 3.41Å; F504-C516 HydrophobicContact CD1-CB 3.68Å; F504-C516 HydrophobicContact CE1-CB 3.23Å; F504-C516 HydrophobicContact CE2-CB 4.25Å; F504-C516 HydrophobicContact CG-CB 4.34Å; F504-C516 HydrophobicContact CZ-CB 3.56Å; F504-C516 PolarHBondContact O-N 2.91Å; C516-I521 HydrophobicContact CB-CG1 4.24Å |
| 517 | F | 96.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 173.7 | 175.9 | -60.7 | -96.9 | 0 | 0 | 0 | 110.3 | G501 P502 C515 F519 G520 F522 | G501-F517 WeakPolarHBondContact O-CD1 3.49Å; P502-F517 HydrophobicContact CB-CD1 4.37Å; P502-F517 HydrophobicContact CB-CE1 3.79Å; P502-F517 HydrophobicContact CB-CZ 3.9Å; P502-F517 HydrophobicContact CG-CE1 4.35Å; C515-F517 HydrophobicContact CB-CE2 3.83Å; C515-F517 HydrophobicContact CB-CZ 4.28Å; C515-F517 WeakPolarHBondContact SG-CE2 3.27Å; F517-F519 HydrophobicContact CB-CD1 3.94Å; F517-F519 HydrophobicContact CB-CD2 4.33Å; F517-F519 HydrophobicContact CB-CE1 3.68Å; F517-F519 HydrophobicContact CB-CE2 4.09Å; F517-F519 HydrophobicContact CB-CG 4.26Å; F517-F519 HydrophobicContact CB-CZ 3.76Å; F517-F519 AromaticContact CD1-CE1 3.86Å; F517-F519 HydrophobicContact CD1-CE1 3.86Å; F517-F519 AromaticContact CD1-CZ 3.72Å; F517-F519 HydrophobicContact CD1-CZ 3.72Å; F517-F519 HydrophobicContact CD2-CE2 4.45Å; F517-F519 HydrophobicContact CD2-CZ 4.26Å; F517-F519 HydrophobicContact CE1-CZ 4.37Å; F517-F519 AromaticContact CG-CE1 3.95Å; F517-F519 HydrophobicContact CG-CE1 3.95Å; F517-F519 HydrophobicContact CG-CE2 4.18Å; F517-F519 AromaticContact CG-CZ 3.66Å; F517-F519 HydrophobicContact CG-CZ 3.66Å; F517-F519 PolarHBondContact O-N 3.4Å; F517-G520 WeakPolarHBondContact CB-O 3.43Å; F517-G520 PolarHBondContact N-O 3.37Å; F517-F522 AromaticContact CD2-CD2 3.92Å; F517-F522 HydrophobicContact CD2-CD2 3.92Å; F517-F522 HydrophobicContact CD2-CE2 4.08Å; F517-F522 AromaticContact CE2-CD2 3.66Å; F517-F522 HydrophobicContact CE2-CD2 3.66Å; F517-F522 AromaticContact CE2-CE2 3.96Å; F517-F522 HydrophobicContact CE2-CE2 3.96Å |
| 518 | S | 93.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.9 | 170.6 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | V499 W503 T533 | V499-S518 PolarHBondContact O-OG 3.49Å; W503-S518 VanDerWaalsContact CZ2-CA 3.41Å; W503-S518 VanDerWaalsContact CZ2-CB 3.44Å; S518-T533 WeakPolarHBondContact O-CB 3.32Å; S518-T533 PolarHBondContact O-OG1 3.16Å |
| 519 | F | 90.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.1 | -172.6 | 57.2 | -97.9 | 0 | 0 | 0 | 114.6 | F517 F522 F527 G530 F534 | F517-F519 HydrophobicContact CB-CD1 3.94Å; F517-F519 HydrophobicContact CB-CD2 4.33Å; F517-F519 HydrophobicContact CB-CE1 3.68Å; F517-F519 HydrophobicContact CB-CE2 4.09Å; F517-F519 HydrophobicContact CB-CG 4.26Å; F517-F519 HydrophobicContact CB-CZ 3.76Å; F517-F519 AromaticContact CD1-CE1 3.86Å; F517-F519 HydrophobicContact CD1-CE1 3.86Å; F517-F519 AromaticContact CD1-CZ 3.72Å; F517-F519 HydrophobicContact CD1-CZ 3.72Å; F517-F519 HydrophobicContact CD2-CE2 4.45Å; F517-F519 HydrophobicContact CD2-CZ 4.26Å; F517-F519 HydrophobicContact CE1-CZ 4.37Å; F517-F519 AromaticContact CG-CE1 3.95Å; F517-F519 HydrophobicContact CG-CE1 3.95Å; F517-F519 HydrophobicContact CG-CE2 4.18Å; F517-F519 AromaticContact CG-CZ 3.66Å; F517-F519 HydrophobicContact CG-CZ 3.66Å; F517-F519 PolarHBondContact O-N 3.4Å; F519-F522 AromaticContact CE2-CE2 4Å; F519-F522 HydrophobicContact CE2-CE2 4Å; F519-F522 HydrophobicContact CE2-CZ 4.48Å; F519-F527 HydrophobicContact CD2-CE2 4.07Å; F519-F527 HydrophobicContact CD2-CZ 4.04Å; F519-F527 HydrophobicContact CE2-CE2 4.27Å; F519-F527 WeakPolarHBondContact O-CZ 3.43Å; F519-G530 VanDerWaalsContact O-CA 3.25Å; F519-G530 WeakPolarHBondContact O-CA 3.27Å; F519-G530 PolarHBondContact O-N 2.86Å; F519-F534 HydrophobicContact CB-CZ 4.26Å |
| 520 | G | 93.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -173.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F517 L528 | F517-G520 WeakPolarHBondContact CB-O 3.43Å; F517-G520 PolarHBondContact N-O 3.37Å; G520-L528 CarbonylContact C-O 3.57Å; G520-L528 WeakPolarHBondContact CA-O 3.48Å |
| 521 | I | 96.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.8 | -177.2 | -58.6 | 175.9 | 0 | 0 | 0 | 109.3 | Y203 I508 C515 C516 L528 | Y203-I521 HydrophobicContact CD1-CD1 3.91Å; Y203-I521 HydrophobicContact CD2-CD1 3.47Å; Y203-I521 VanDerWaalsContact CD2-CD1 3.47Å; Y203-I521 HydrophobicContact CE2-CD1 4.26Å; Y203-I521 HydrophobicContact CG-CD1 3.31Å; I508-I521 HydrophobicContact CD1-CG2 4.13Å; I508-I521 HydrophobicContact CG1-CG2 4.03Å; I508-I521 HydrophobicContact CG2-CG2 3.91Å; C515-I521 WeakPolarHBondContact O-CA 3.46Å; C516-I521 HydrophobicContact CB-CG1 4.24Å; I521-L528 HydrophobicContact CB-CB 4.3Å; I521-L528 PolarHBondContact N-O 3.29Å; I521-L528 PolarHBondContact O-N 3.29Å |
| 522 | F | 96.6 | Very high | 93.2 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 38% | 0.382 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.9 | 170.1 | -64.3 | -93.5 | 0 | 0 | 0 | 109.4 | G514 C515 F517 F519 H526 F527 | G514-F522 CarbonylContact C-O 3.5Å; G514-F522 WeakPolarHBondContact CA-O 3.45Å; C515-F522 PolarHBondContact N-O 3.41Å; C515-F522 PolarHBondContact O-N 3.49Å; F517-F522 AromaticContact CD2-CD2 3.92Å; F517-F522 HydrophobicContact CD2-CD2 3.92Å; F517-F522 HydrophobicContact CD2-CE2 4.08Å; F517-F522 AromaticContact CE2-CD2 3.66Å; F517-F522 HydrophobicContact CE2-CD2 3.66Å; F517-F522 AromaticContact CE2-CE2 3.96Å; F517-F522 HydrophobicContact CE2-CE2 3.96Å; F519-F522 AromaticContact CE2-CE2 4Å; F519-F522 HydrophobicContact CE2-CE2 4Å; F519-F522 HydrophobicContact CE2-CZ 4.48Å; F522-H526 WeakPolarHBondContact CA-O 3.31Å; F522-F527 HydrophobicContact CD1-CB 4.02Å; F522-F527 AromaticContact CD1-CD2 3.8Å; F522-F527 HydrophobicContact CD1-CD2 3.8Å; F522-F527 HydrophobicContact CD1-CG 4.34Å; F522-F527 AromaticContact CD2-CD2 3.97Å; F522-F527 HydrophobicContact CD2-CD2 3.97Å; F522-F527 HydrophobicContact CD2-CE2 4.34Å; F522-F527 HydrophobicContact CE1-CB 3.84Å; F522-F527 AromaticContact CE1-CD2 3.4Å; F522-F527 HydrophobicContact CE1-CD2 3.4Å; F522-F527 VanDerWaalsContact CE1-CD2 3.4Å; F522-F527 HydrophobicContact CE1-CE2 4.22Å; F522-F527 AromaticContact CE1-CG 3.87Å; F522-F527 HydrophobicContact CE1-CG 3.87Å; F522-F527 AromaticContact CE2-CD2 3.61Å; F522-F527 HydrophobicContact CE2-CD2 3.61Å; F522-F527 AromaticContact CE2-CE2 3.72Å; F522-F527 HydrophobicContact CE2-CE2 3.72Å; F522-F527 HydrophobicContact CG-CD2 4.08Å; F522-F527 AromaticContact CZ-CD2 3.31Å; F522-F527 HydrophobicContact CZ-CD2 3.31Å; F522-F527 AromaticContact CZ-CE2 3.66Å; F522-F527 HydrophobicContact CZ-CE2 3.66Å; F522-F527 HydrophobicContact CZ-CG 4.12Å |
| 523 | V | 96.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 134.1 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 110 | P197 I508 I509 K512 G525 H526 L528 | P197-V523 HydrophobicContact CG-CG1 4.17Å; I508-V523 HydrophobicContact CB-CB 4.16Å; I508-V523 HydrophobicContact CB-CG2 3.93Å; I508-V523 HydrophobicContact CG1-CB 4.48Å; I508-V523 HydrophobicContact CG2-CB 4.13Å; I508-V523 HydrophobicContact CG2-CG1 4.14Å; I508-V523 HydrophobicContact CG2-CG2 4.2Å; I509-V523 HydrophobicContact CD1-CG1 4.3Å; I509-V523 HydrophobicContact CD1-CG2 4.02Å; I509-V523 HydrophobicContact CG1-CG2 4.44Å; K512-V523 HydrophobicContact CB-CG2 4.01Å; V523-G525 PolarHBondContact O-N 2.85Å; V523-G525 VanDerWaalsContact O-N 3.14Å; V523-H526 PolarHBondContact N-O 3.4Å; V523-H526 WeakPolarHBondContact O-CB 3.17Å; V523-H526 PolarHBondContact O-N 3.02Å; V523-L528 HydrophobicContact CG1-CD1 4.06Å; V523-L528 HydrophobicContact CG1-CG 4.37Å |
| 524 | N | 90.6 | Very high | 93.1 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.7 | 175.3 | -165.5 | 57.1 | 0 | 0 | 0 | 114.3 | K512 H526 | K512-N524 HydrophobicContact CD-CB 4.24Å; K512-N524 WeakPolarHBondContact CD-OD1 3.19Å; K512-N524 WeakPolarHBondContact CE-OD1 3.26Å; K512-N524 HydrophobicContact CG-CB 4.48Å; K512-N524 PolarHBondContact NZ-OD1 2.93Å; N524-H526 PolarHBondContact O-CD2 2.94Å; N524-H526 PolarHBondContact O-N 2.95Å |
| 525 | G | 89.7 | Confident | 93 | Very high | 88 Ų | 88 | 37.1 Ų | 37.1 | 91% | 0.907 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V523 | V523-G525 PolarHBondContact O-N 2.85Å; V523-G525 VanDerWaalsContact O-N 3.14Å |
| 526 | H | 92.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 40% | 0.403 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 145.4 | 176.4 | -62.3 | -91.3 | 0 | 0 | 0 | 111.3 | P197 F522 V523 N524 | P197-H526 HydrophobicContact CG-CB 4.23Å; F522-H526 WeakPolarHBondContact CA-O 3.31Å; V523-H526 PolarHBondContact N-O 3.4Å; V523-H526 WeakPolarHBondContact O-CB 3.17Å; V523-H526 PolarHBondContact O-N 3.02Å; N524-H526 PolarHBondContact O-CD2 2.94Å; N524-H526 PolarHBondContact O-N 2.95Å |
| 527 | F | 94.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 36.9 Ų | 36.9 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.5 | 168.9 | 176.3 | -114.8 | 0 | 0 | 0 | 109.7 | F519 F522 Q529 | F519-F527 HydrophobicContact CD2-CE2 4.07Å; F519-F527 HydrophobicContact CD2-CZ 4.04Å; F519-F527 HydrophobicContact CE2-CE2 4.27Å; F519-F527 WeakPolarHBondContact O-CZ 3.43Å; F522-F527 HydrophobicContact CD1-CB 4.02Å; F522-F527 AromaticContact CD1-CD2 3.8Å; F522-F527 HydrophobicContact CD1-CD2 3.8Å; F522-F527 HydrophobicContact CD1-CG 4.34Å; F522-F527 AromaticContact CD2-CD2 3.97Å; F522-F527 HydrophobicContact CD2-CD2 3.97Å; F522-F527 HydrophobicContact CD2-CE2 4.34Å; F522-F527 HydrophobicContact CE1-CB 3.84Å; F522-F527 AromaticContact CE1-CD2 3.4Å; F522-F527 HydrophobicContact CE1-CD2 3.4Å; F522-F527 VanDerWaalsContact CE1-CD2 3.4Å; F522-F527 HydrophobicContact CE1-CE2 4.22Å; F522-F527 AromaticContact CE1-CG 3.87Å; F522-F527 HydrophobicContact CE1-CG 3.87Å; F522-F527 AromaticContact CE2-CD2 3.61Å; F522-F527 HydrophobicContact CE2-CD2 3.61Å; F522-F527 AromaticContact CE2-CE2 3.72Å; F522-F527 HydrophobicContact CE2-CE2 3.72Å; F522-F527 HydrophobicContact CG-CD2 4.08Å; F522-F527 AromaticContact CZ-CD2 3.31Å; F522-F527 HydrophobicContact CZ-CD2 3.31Å; F522-F527 AromaticContact CZ-CE2 3.66Å; F522-F527 HydrophobicContact CZ-CE2 3.66Å; F522-F527 HydrophobicContact CZ-CG 4.12Å; F527-Q529 HydrophobicContact CE1-CB 4.39Å |
| 528 | L | 93.2 | Very high | 92.8 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.6 | 174.4 | -50.7 | -175.6 | 0 | 0 | 0 | 108 | I195 P199 G520 I521 V523 G530 | I195-L528 HydrophobicContact CG2-CD1 4.14Å; I195-L528 HydrophobicContact CG2-CD2 3.51Å; I195-L528 HydrophobicContact CG2-CG 4.34Å; P199-L528 HydrophobicContact CB-CD1 4.21Å; P199-L528 HydrophobicContact CG-CD1 3.82Å; G520-L528 CarbonylContact C-O 3.57Å; G520-L528 WeakPolarHBondContact CA-O 3.48Å; I521-L528 HydrophobicContact CB-CB 4.3Å; I521-L528 PolarHBondContact N-O 3.29Å; I521-L528 PolarHBondContact O-N 3.29Å; V523-L528 HydrophobicContact CG1-CD1 4.06Å; V523-L528 HydrophobicContact CG1-CG 4.37Å; L528-G530 PolarHBondContact O-N 2.92Å |
| 529 | Q | 90.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 40 Ų | 40 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 136.1 | -175.7 | -174.2 | 177.1 | 5.8 | 0 | 0 | 111.7 | L242 F527 | L242-Q529 HydrophobicContact CD2-CB 4.13Å; L242-Q529 HydrophobicContact CD2-CG 3.94Å; F527-Q529 HydrophobicContact CE1-CB 4.39Å |
| 530 | G | 81.6 | Confident | 93.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -64.1 | 132.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R439 F519 L528 T533 F534 | R439-G530 PolarHBondContact NH2-O 3.37Å; F519-G530 VanDerWaalsContact O-CA 3.25Å; F519-G530 WeakPolarHBondContact O-CA 3.27Å; F519-G530 PolarHBondContact O-N 2.86Å; L528-G530 PolarHBondContact O-N 2.92Å; G530-T533 VanDerWaalsContact CA-OG1 3.23Å; G530-T533 WeakPolarHBondContact CA-OG1 3.26Å; G530-F534 WeakPolarHBondContact O-CE2 3.22Å | ||
| 531 | S | 88.1 | Confident | 93.3 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -138.2 | -88.3 | -179.9 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | F206 T533 F534 | F206-S531 WeakPolarHBondContact CB-OG 3.47Å; S531-T533 PolarHBondContact N-OG1 3.35Å; S531-T533 PolarHBondContact O-N 2.9Å; S531-T533 VanDerWaalsContact O-N 3.13Å; S531-F534 PolarHBondContact O-N 2.87Å |
| 532 | I | 92.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -22.4 | 173.9 | -164.7 | 72.1 | 0 | 0 | 0 | 112.4 | Y203 F205 F206 F534 I535 I536 | Y203-I532 HydrophobicContact CD1-CG2 3.83Å; F205-I532 HydrophobicContact CD1-CD1 4.24Å; F206-I532 HydrophobicContact CD2-CB 3.96Å; F206-I532 HydrophobicContact CE2-CB 4.01Å; F206-I532 HydrophobicContact CE2-CD1 3.96Å; I532-F534 VanDerWaalsContact C-N 3.26Å; I532-F534 PolarHBondContact O-N 3.31Å; I532-I535 HydrophobicContact CD1-CB 4.28Å; I532-I535 HydrophobicContact CD1-CD1 3.88Å; I532-I535 PolarHBondContact O-N 2.85Å; I532-I535 VanDerWaalsContact O-N 3.11Å; I532-I536 HydrophobicContact CG1-CD1 4.34Å; I532-I536 WeakPolarHBondContact O-CG1 3.5Å; I532-I536 PolarHBondContact O-N 2.88Å |
| 533 | T | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -41.3 | 172.6 | 52.9 | 0 | 0 | 0 | 0 | 111 | Y203 W503 S518 G530 S531 I535 I536 G537 | Y203-T533 HydrophobicContact CD1-CG2 3.68Å; Y203-T533 HydrophobicContact CE1-CG2 3.81Å; W503-T533 WeakPolarHBondContact CH2-O 3.2Å; S518-T533 WeakPolarHBondContact O-CB 3.32Å; S518-T533 PolarHBondContact O-OG1 3.16Å; G530-T533 VanDerWaalsContact CA-OG1 3.23Å; G530-T533 WeakPolarHBondContact CA-OG1 3.26Å; S531-T533 PolarHBondContact N-OG1 3.35Å; S531-T533 PolarHBondContact O-N 2.9Å; S531-T533 VanDerWaalsContact O-N 3.13Å; T533-I535 VanDerWaalsContact C-N 3.34Å; T533-I535 PolarHBondContact O-N 3.5Å; T533-I536 PolarHBondContact O-N 2.88Å; T533-G537 PolarHBondContact O-N 3.47Å |
| 534 | F | 93.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 176.9 | -67.5 | -68 | 0 | 0 | 0 | 112.5 | A438 R439 F442 F519 G530 S531 I532 G537 I538 | A438-F534 HydrophobicContact CB-CB 4.13Å; R439-F534 HydrophobicContact CB-CD1 4.23Å; R439-F534 HydrophobicContact CB-CD2 3.95Å; R439-F534 HydrophobicContact CB-CE1 4.34Å; R439-F534 HydrophobicContact CB-CE2 4.07Å; R439-F534 HydrophobicContact CB-CG 4.04Å; R439-F534 HydrophobicContact CB-CZ 4.26Å; R439-F534 HydrophobicContact CG-CD1 4.2Å; R439-F534 HydrophobicContact CG-CD2 4.3Å; R439-F534 HydrophobicContact CG-CE1 3.83Å; R439-F534 HydrophobicContact CG-CE2 3.94Å; R439-F534 HydrophobicContact CG-CG 4.42Å; R439-F534 HydrophobicContact CG-CZ 3.68Å; F442-F534 HydrophobicContact CB-CD1 4.16Å; F442-F534 AromaticContact CD1-CD1 3.75Å; F442-F534 HydrophobicContact CD1-CD1 3.75Å; F442-F534 HydrophobicContact CD1-CE1 4.11Å; F442-F534 HydrophobicContact CE1-CD1 4.4Å; F442-F534 HydrophobicContact CG-CD1 4.05Å; F519-F534 HydrophobicContact CB-CZ 4.26Å; G530-F534 WeakPolarHBondContact O-CE2 3.22Å; S531-F534 PolarHBondContact O-N 2.87Å; I532-F534 VanDerWaalsContact C-N 3.26Å; I532-F534 PolarHBondContact O-N 3.31Å; F534-G537 PolarHBondContact O-N 3.3Å; F534-I538 WeakPolarHBondContact O-CG1 3.44Å; F534-I538 PolarHBondContact O-N 2.84Å |
| 535 | I | 93.9 | Very high | 93.4 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.4 | -47 | 175.9 | -59.2 | -179.7 | 0 | 0 | 0 | 110.1 | A438 I532 T533 G537 I538 L539 | A438-I535 HydrophobicContact CB-CG1 3.78Å; I532-I535 HydrophobicContact CD1-CB 4.28Å; I532-I535 HydrophobicContact CD1-CD1 3.88Å; I532-I535 PolarHBondContact O-N 2.85Å; I532-I535 VanDerWaalsContact O-N 3.11Å; T533-I535 VanDerWaalsContact C-N 3.34Å; T533-I535 PolarHBondContact O-N 3.5Å; I535-G537 PolarHBondContact O-N 3.48Å; I535-I538 PolarHBondContact O-N 2.98Å; I535-L539 HydrophobicContact CG2-CD1 4.47Å; I535-L539 WeakPolarHBondContact O-CG 3.3Å; I535-L539 PolarHBondContact O-N 2.89Å |
| 536 | I | 95.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 34.3 Ų | 34.3 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -35.9 | 175.8 | -67.9 | 165.3 | 0 | 0 | 0 | 111.2 | P202 Y203 W503 I532 T533 L539 Q540 | P202-I536 HydrophobicContact CG-CD1 4Å; Y203-I536 HydrophobicContact CD1-CD1 4.17Å; Y203-I536 HydrophobicContact CE1-CD1 3.48Å; Y203-I536 VanDerWaalsContact CE1-CD1 3.48Å; W503-I536 HydrophobicContact CE3-CG2 4.42Å; W503-I536 HydrophobicContact CH2-CG2 4.41Å; W503-I536 HydrophobicContact CZ3-CB 4.06Å; W503-I536 HydrophobicContact CZ3-CG2 3.68Å; I532-I536 HydrophobicContact CG1-CD1 4.34Å; I532-I536 WeakPolarHBondContact O-CG1 3.5Å; I532-I536 PolarHBondContact O-N 2.88Å; T533-I536 PolarHBondContact O-N 2.88Å; I536-L539 PolarHBondContact O-N 3.16Å; I536-Q540 WeakPolarHBondContact O-CB 3.49Å; I536-Q540 PolarHBondContact O-N 3.27Å |
| 537 | G | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T533 F534 I535 L539 Q540 L541 | T533-G537 PolarHBondContact O-N 3.47Å; F534-G537 PolarHBondContact O-N 3.3Å; I535-G537 PolarHBondContact O-N 3.48Å; G537-L539 VanDerWaalsContact C-N 3.33Å; G537-Q540 WeakPolarHBondContact O-CB 3.26Å; G537-Q540 PolarHBondContact O-N 3.39Å; G537-L541 WeakPolarHBondContact O-CG 3.21Å; G537-L541 PolarHBondContact O-N 3.21Å |
| 538 | I | 95.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 27 Ų | 27 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 172.4 | -69.8 | 161.1 | 0 | 0 | 0 | 109.9 | A438 L441 F442 I445 F534 I535 Q540 L541 A542 | A438-I538 HydrophobicContact CB-CD1 4.11Å; A438-I538 WeakPolarHBondContact O-CD1 3.42Å; L441-I538 HydrophobicContact CB-CD1 4.2Å; L441-I538 HydrophobicContact CD2-CD1 3.97Å; L441-I538 HydrophobicContact CG-CD1 4.1Å; F442-I538 HydrophobicContact CB-CD1 4.27Å; F442-I538 HydrophobicContact CB-CG1 3.91Å; F442-I538 HydrophobicContact CD2-CG1 4.19Å; I445-I538 HydrophobicContact CD1-CG1 4.34Å; I445-I538 HydrophobicContact CD1-CG2 4.18Å; F534-I538 WeakPolarHBondContact O-CG1 3.44Å; F534-I538 PolarHBondContact O-N 2.84Å; I535-I538 PolarHBondContact O-N 2.98Å; I538-Q540 VanDerWaalsContact C-N 3.32Å; I538-Q540 PolarHBondContact O-N 3.26Å; I538-L541 PolarHBondContact O-N 3.44Å; I538-A542 VanDerWaalsContact O-CB 3.27Å; I538-A542 WeakPolarHBondContact O-CB 3.3Å; I538-A542 PolarHBondContact O-N 3.14Å |
| 539 | L | 95.6 | Very high | 94.2 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 37% | 0.366 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.3 | -66.2 | 176.5 | 0 | 0 | 0 | 111.4 | I535 I536 G537 L541 A542 F543 | I535-L539 HydrophobicContact CG2-CD1 4.47Å; I535-L539 WeakPolarHBondContact O-CG 3.3Å; I535-L539 PolarHBondContact O-N 2.89Å; I536-L539 PolarHBondContact O-N 3.16Å; G537-L539 VanDerWaalsContact C-N 3.33Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L539-L541 PolarHBondContact O-N 2.92Å; L539-A542 PolarHBondContact O-N 3.45Å; L539-F543 HydrophobicContact CB-CD2 4.34Å; L539-F543 HydrophobicContact CD2-CD2 3.83Å; L539-F543 HydrophobicContact CD2-CE2 3.53Å; L539-F543 VanDerWaalsContact O-CB 3.32Å; L539-F543 WeakPolarHBondContact O-CB 3.41Å; L539-F543 WeakPolarHBondContact O-CD2 3.42Å; L539-F543 PolarHBondContact O-N 3.39Å |
| 540 | Q | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 174.6 | -177.8 | 61.8 | 33.5 | 0 | 0 | 112.3 | I536 G537 I538 F544 N545 L612 | I536-Q540 WeakPolarHBondContact O-CB 3.49Å; I536-Q540 PolarHBondContact O-N 3.27Å; G537-Q540 WeakPolarHBondContact O-CB 3.26Å; G537-Q540 PolarHBondContact O-N 3.39Å; I538-Q540 VanDerWaalsContact C-N 3.32Å; I538-Q540 PolarHBondContact O-N 3.26Å; Q540-F544 WeakPolarHBondContact O-CB 3.3Å; Q540-F544 PolarHBondContact O-N 3.18Å; Q540-F544 VanDerWaalsContact O-N 3.11Å; Q540-N545 PolarHBondContact NE2-OD1 3.48Å; Q540-N545 PolarHBondContact O-N 2.98Å; Q540-L612 HydrophobicContact CG-CD1 4.25Å; Q540-L612 HydrophobicContact CG-CD2 4.13Å; Q540-L612 HydrophobicContact CG-CG 4.17Å |
| 541 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -66.9 | -48.9 | 179.4 | -70.5 | 167.4 | 0 | 0 | 0 | 111.5 | F442 I445 V446 T498 G537 I538 L539 N545 I546 | F442-L541 HydrophobicContact CD2-CD1 3.75Å; F442-L541 HydrophobicContact CE2-CD1 3.55Å; F442-L541 HydrophobicContact CE2-CG 4.45Å; F442-L541 HydrophobicContact CZ-CD1 4.49Å; I445-L541 HydrophobicContact CB-CD1 4.45Å; I445-L541 HydrophobicContact CG2-CB 4.2Å; I445-L541 HydrophobicContact CG2-CD1 3.88Å; V446-L541 HydrophobicContact CG2-CD1 3.75Å; T498-L541 HydrophobicContact CG2-CD2 4.07Å; T498-L541 HydrophobicContact CG2-CG 4.19Å; G537-L541 WeakPolarHBondContact O-CG 3.21Å; G537-L541 PolarHBondContact O-N 3.21Å; I538-L541 PolarHBondContact O-N 3.44Å; L539-L541 VanDerWaalsContact C-N 3.35Å; L539-L541 PolarHBondContact O-N 2.92Å; L541-N545 HydrophobicContact CD2-CB 4.1Å; L541-N545 PolarHBondContact O-N 3.4Å; L541-I546 HydrophobicContact CB-CD1 4.41Å; L541-I546 VanDerWaalsContact O-CB 3.31Å; L541-I546 WeakPolarHBondContact O-CB 3.31Å; L541-I546 WeakPolarHBondContact O-CG1 3.33Å; L541-I546 PolarHBondContact O-N 2.61Å |
| 542 | A | 94.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 27 Ų | 27 | 41% | 0.405 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -72.6 | -41.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I538 L539 P547 | I538-A542 VanDerWaalsContact O-CB 3.27Å; I538-A542 WeakPolarHBondContact O-CB 3.3Å; I538-A542 PolarHBondContact O-N 3.14Å; L539-A542 PolarHBondContact O-N 3.45Å; A542-P547 WeakPolarHBondContact O-CD 3.37Å; A542-P547 WeakPolarHBondContact O-CG 3.42Å |
| 543 | F | 94.9 | Very high | 95.7 | Very high | 98 Ų | 98 | 26 Ų | 26 | 43% | 0.43 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -94.8 | -11.8 | -176.3 | -70.8 | -86 | 0 | 0 | 0 | 113.7 | L539 L587 W590 | L539-F543 HydrophobicContact CB-CD2 4.34Å; L539-F543 HydrophobicContact CD2-CD2 3.83Å; L539-F543 HydrophobicContact CD2-CE2 3.53Å; L539-F543 VanDerWaalsContact O-CB 3.32Å; L539-F543 WeakPolarHBondContact O-CB 3.41Å; L539-F543 WeakPolarHBondContact O-CD2 3.42Å; L539-F543 PolarHBondContact O-N 3.39Å; F543-L587 HydrophobicContact CB-CD2 4.41Å; F543-L587 HydrophobicContact CD1-CD2 4.11Å; F543-L587 WeakPolarHBondContact O-CD2 3.37Å; F543-W590 HydrophobicContact CB-CE3 4.24Å; F543-W590 HydrophobicContact CB-CH2 4.21Å; F543-W590 HydrophobicContact CB-CZ3 4.05Å |
| 544 | F | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -137.3 | -59.7 | -179.1 | -159.6 | -106.2 | 0 | 0 | 0 | 115.1 | Q540 I546 P547 L548 M584 Y588 W590 Q591 L616 T620 | Q540-F544 WeakPolarHBondContact O-CB 3.3Å; Q540-F544 PolarHBondContact O-N 3.18Å; Q540-F544 VanDerWaalsContact O-N 3.11Å; F544-I546 PolarHBondContact O-N 3.39Å; F544-P547 WeakPolarHBondContact O-CD 3.44Å; F544-L548 HydrophobicContact CE1-CD2 4.19Å; F544-L548 WeakPolarHBondContact O-CB 3.3Å; F544-L548 PolarHBondContact O-N 3.45Å; F544-M584 HydrophobicContact CD2-CE 4.49Å; F544-M584 HydrophobicContact CE2-CE 3.95Å; F544-Y588 HydrophobicContact CE2-CD2 4.25Å; F544-Y588 HydrophobicContact CZ-CD2 4.24Å; F544-W590 HydrophobicContact CB-CZ3 4.33Å; F544-Q591 HydrophobicContact CD1-CG 4.1Å; F544-Q591 HydrophobicContact CD2-CB 3.63Å; F544-Q591 HydrophobicContact CD2-CG 4.09Å; F544-Q591 HydrophobicContact CE1-CB 4.39Å; F544-Q591 HydrophobicContact CE1-CG 3.82Å; F544-Q591 HydrophobicContact CE2-CB 3.5Å; F544-Q591 VanDerWaalsContact CE2-CB 3.5Å; F544-Q591 HydrophobicContact CE2-CG 3.83Å; F544-Q591 HydrophobicContact CG-CB 4.14Å; F544-Q591 HydrophobicContact CG-CG 4.22Å; F544-Q591 HydrophobicContact CZ-CB 3.89Å; F544-Q591 HydrophobicContact CZ-CG 3.66Å; F544-L616 HydrophobicContact CD1-CD2 3.8Å; F544-L616 HydrophobicContact CD1-CG 4.39Å; F544-L616 HydrophobicContact CE1-CD1 4.45Å; F544-L616 HydrophobicContact CE1-CD2 3.75Å; F544-L616 HydrophobicContact CE1-CG 3.83Å; F544-T620 HydrophobicContact CZ-CG2 4.07Å; F544-T620 WeakPolarHBondContact CZ-OG1 3.47Å |
| 545 | N | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -65.2 | -45.6 | -170.6 | -61.4 | 3.5 | 0 | 0 | 0 | 112.7 | L494 T498 Q540 L541 M549 | L494-N545 HydrophobicContact CD2-CB 4.12Å; T498-N545 PolarHBondContact OG1-ND2 3.2Å; Q540-N545 PolarHBondContact NE2-OD1 3.48Å; Q540-N545 PolarHBondContact O-N 2.98Å; L541-N545 HydrophobicContact CD2-CB 4.1Å; L541-N545 PolarHBondContact O-N 3.4Å; N545-M549 PolarHBondContact O-N 3.06Å; N545-M549 VanDerWaalsContact O-N 3.09Å |
| 546 | I | 95.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 25 Ų | 25 | 31% | 0.313 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69.5 | -47.2 | 177.6 | -66.6 | 167.2 | 0 | 0 | 0 | 110.9 | I445 L541 F544 L548 M549 A550 | I445-I546 HydrophobicContact CG2-CD1 3.82Å; L541-I546 HydrophobicContact CB-CD1 4.41Å; L541-I546 VanDerWaalsContact O-CB 3.31Å; L541-I546 WeakPolarHBondContact O-CB 3.31Å; L541-I546 WeakPolarHBondContact O-CG1 3.33Å; L541-I546 PolarHBondContact O-N 2.61Å; F544-I546 PolarHBondContact O-N 3.39Å; I546-L548 VanDerWaalsContact C-N 3.32Å; I546-L548 PolarHBondContact O-N 2.9Å; I546-M549 WeakPolarHBondContact O-CB 3.34Å; I546-M549 PolarHBondContact O-N 3.01Å; I546-A550 WeakPolarHBondContact O-CB 3.16Å; I546-A550 PolarHBondContact O-N 3.09Å |
| 547 | P | 97 | Very high | 95.5 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 19% | 0.188 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.9 | -40.8 | 173.1 | -30.1 | 36.9 | 0 | 0 | 0 | 114.1 | A542 F544 A550 Y551 L587 | A542-P547 WeakPolarHBondContact O-CD 3.37Å; A542-P547 WeakPolarHBondContact O-CG 3.42Å; F544-P547 WeakPolarHBondContact O-CD 3.44Å; P547-A550 PolarHBondContact O-N 2.82Å; P547-Y551 VanDerWaalsContact O-CB 3.29Å; P547-Y551 WeakPolarHBondContact O-CB 3.48Å; P547-Y551 PolarHBondContact O-N 3.38Å; P547-L587 HydrophobicContact CB-CD1 3.45Å; P547-L587 VanDerWaalsContact CB-CD1 3.45Å; P547-L587 HydrophobicContact CG-CD1 3.8Å |
| 548 | L | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 176.2 | 177.2 | 59.2 | 0 | 0 | 0 | 111.1 | F544 I546 Y551 M552 M584 T620 I624 | F544-L548 HydrophobicContact CE1-CD2 4.19Å; F544-L548 WeakPolarHBondContact O-CB 3.3Å; F544-L548 PolarHBondContact O-N 3.45Å; I546-L548 VanDerWaalsContact C-N 3.32Å; I546-L548 PolarHBondContact O-N 2.9Å; L548-Y551 PolarHBondContact O-N 3.42Å; L548-M552 HydrophobicContact CD1-CG 4.39Å; L548-M552 HydrophobicContact CG-CE 4.18Å; L548-M552 WeakPolarHBondContact O-CG 3.47Å; L548-M552 PolarHBondContact O-N 3.23Å; L548-M584 HydrophobicContact CB-CE 4.4Å; L548-M584 HydrophobicContact CD1-CE 4.17Å; L548-T620 HydrophobicContact CD1-CG2 3.74Å; L548-T620 HydrophobicContact CD2-CG2 4.28Å; L548-I624 HydrophobicContact CD1-CD1 4.35Å; L548-I624 HydrophobicContact CD1-CG1 4.35Å |
| 549 | M | 96.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 173.8 | -179.7 | -174.7 | 71.6 | 0 | 0 | 111.4 | Q449 L453 L481 V491 N545 I546 Y551 M552 C553 | Q449-M549 HydrophobicContact CG-SD 4.46Å; L453-M549 HydrophobicContact CD2-SD 4.06Å; L481-M549 HydrophobicContact CD1-CG 4.41Å; V491-M549 HydrophobicContact CG1-CB 4.22Å; V491-M549 HydrophobicContact CG1-CG 3.94Å; V491-M549 HydrophobicContact CG1-SD 3.71Å; V491-M549 HydrophobicContact CG2-CB 4.47Å; V491-M549 HydrophobicContact CG2-CG 4.28Å; N545-M549 PolarHBondContact O-N 3.06Å; N545-M549 VanDerWaalsContact O-N 3.09Å; I546-M549 WeakPolarHBondContact O-CB 3.34Å; I546-M549 PolarHBondContact O-N 3.01Å; M549-Y551 VanDerWaalsContact C-N 3.33Å; M549-Y551 PolarHBondContact O-N 3.49Å; M549-M552 PolarHBondContact O-N 2.76Å; M549-C553 PolarHBondContact O-N 2.88Å; M549-C553 PolarHBondContact O-SG 3.31Å |
| 550 | A | 96.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 22.1 Ų | 22.1 | 45% | 0.446 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | I546 P547 C553 W554 | I546-A550 WeakPolarHBondContact O-CB 3.16Å; I546-A550 PolarHBondContact O-N 3.09Å; P547-A550 PolarHBondContact O-N 2.82Å; A550-C553 WeakPolarHBondContact O-CB 3.45Å; A550-C553 PolarHBondContact O-N 3.29Å; A550-W554 WeakPolarHBondContact O-CB 3.02Å; A550-W554 PolarHBondContact O-N 2.84Å |
| 551 | Y | 96.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 8% | 0.078 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.6 | -178.2 | -102.7 | 0 | 0 | 0 | 112.2 | P547 L548 M549 W554 S555 V580 H581 M584 I624 | P547-Y551 VanDerWaalsContact O-CB 3.29Å; P547-Y551 WeakPolarHBondContact O-CB 3.48Å; P547-Y551 PolarHBondContact O-N 3.38Å; L548-Y551 PolarHBondContact O-N 3.42Å; M549-Y551 VanDerWaalsContact C-N 3.33Å; M549-Y551 PolarHBondContact O-N 3.49Å; Y551-W554 HydrophobicContact CD2-CE3 4.08Å; Y551-W554 HydrophobicContact CD2-CZ3 4.34Å; Y551-W554 HydrophobicContact CE2-CE3 4.02Å; Y551-W554 AromaticContact CE2-CZ3 3.83Å; Y551-W554 HydrophobicContact CE2-CZ3 3.83Å; Y551-S555 VanDerWaalsContact O-CB 3.24Å; Y551-S555 WeakPolarHBondContact O-CB 3.16Å; Y551-S555 PolarHBondContact O-N 3.01Å; Y551-S555 PolarHBondContact O-OG 2.76Å; Y551-V580 HydrophobicContact CD2-CG1 4.09Å; Y551-V580 HydrophobicContact CE2-CG1 4.34Å; Y551-H581 AromaticContact CE2-ND1 3.53Å; Y551-H581 AromaticContact CZ-CE1 3.98Å; Y551-H581 AromaticContact CZ-ND1 3.58Å; Y551-H581 PolarHBondContact OH-CE1 3.15Å; Y551-H581 PolarHBondContact OH-ND1 3.48Å; Y551-M584 HydrophobicContact CD1-CG 3.86Å; Y551-M584 HydrophobicContact CD1-SD 4.32Å; Y551-M584 HydrophobicContact CD2-CB 3.85Å; Y551-M584 HydrophobicContact CD2-CG 3.91Å; Y551-M584 HydrophobicContact CE1-CG 4.15Å; Y551-M584 HydrophobicContact CE2-CB 4.04Å; Y551-M584 HydrophobicContact CE2-CG 4.21Å; Y551-M584 HydrophobicContact CG-CB 4.18Å; Y551-M584 HydrophobicContact CG-CG 3.71Å; Y551-M584 HydrophobicContact CG-SD 4.01Å; Y551-I624 HydrophobicContact CD1-CD1 4.14Å; Y551-I624 HydrophobicContact CD1-CG1 4.17Å; Y551-I624 HydrophobicContact CE1-CD1 3.85Å; Y551-I624 HydrophobicContact CE1-CG1 3.94Å; Y551-I624 HydrophobicContact CE1-CG2 3.96Å |
| 552 | M | 96.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 172.7 | -72.6 | -171.8 | -62.3 | 0 | 0 | 111.9 | L481 F487 V491 L548 M549 S555 L556 L623 V627 | L481-M552 HydrophobicContact CD1-CB 4.01Å; L481-M552 HydrophobicContact CD1-CE 4.46Å; F487-M552 HydrophobicContact CD1-SD 4.47Å; V491-M552 HydrophobicContact CG2-CE 3.4Å; V491-M552 VanDerWaalsContact CG2-CE 3.4Å; L548-M552 HydrophobicContact CD1-CG 4.39Å; L548-M552 HydrophobicContact CG-CE 4.18Å; L548-M552 WeakPolarHBondContact O-CG 3.47Å; L548-M552 PolarHBondContact O-N 3.23Å; M549-M552 PolarHBondContact O-N 2.76Å; M552-S555 PolarHBondContact O-N 3.47Å; M552-L556 WeakPolarHBondContact O-CB 3.21Å; M552-L556 WeakPolarHBondContact O-CG 3.1Å; M552-L556 PolarHBondContact O-N 3.28Å; M552-L623 HydrophobicContact SD-CB 4.21Å; M552-V627 HydrophobicContact CB-CG2 4.26Å; M552-V627 HydrophobicContact CG-CG2 4.1Å |
| 553 | C | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.8 | -52.1 | 173.5 | -77.2 | 0 | 0 | 0 | 0 | 111.2 | S477 L481 M549 A550 S555 L556 L557 | S477-C553 WeakPolarHBondContact CB-O 3.47Å; L481-C553 VanDerWaalsContact CD1-SG 3.54Å; M549-C553 PolarHBondContact O-N 2.88Å; M549-C553 PolarHBondContact O-SG 3.31Å; A550-C553 WeakPolarHBondContact O-CB 3.45Å; A550-C553 PolarHBondContact O-N 3.29Å; C553-S555 VanDerWaalsContact C-N 3.34Å; C553-S555 PolarHBondContact O-N 3Å; C553-L556 PolarHBondContact O-N 3.33Å; C553-L557 PolarHBondContact O-N 3.23Å |
| 554 | W | 94.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 21% | 0.205 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 179 | 175.6 | 79.4 | 0 | 0 | 0 | 111.7 | A550 Y551 L556 L557 Q558 H568 I577 V580 H581 W628 | A550-W554 WeakPolarHBondContact O-CB 3.02Å; A550-W554 PolarHBondContact O-N 2.84Å; Y551-W554 HydrophobicContact CD2-CE3 4.08Å; Y551-W554 HydrophobicContact CD2-CZ3 4.34Å; Y551-W554 HydrophobicContact CE2-CE3 4.02Å; Y551-W554 AromaticContact CE2-CZ3 3.83Å; Y551-W554 HydrophobicContact CE2-CZ3 3.83Å; W554-L556 PolarHBondContact O-N 3.3Å; W554-L557 WeakPolarHBondContact O-CB 3.37Å; W554-L557 PolarHBondContact O-N 3.41Å; W554-Q558 HydrophobicContact CD2-CG 4.32Å; W554-Q558 HydrophobicContact CH2-CG 4.5Å; W554-Q558 HydrophobicContact CZ2-CG 4.11Å; W554-Q558 WeakPolarHBondContact O-CG 3.49Å; W554-Q558 PolarHBondContact O-N 2.96Å; W554-H568 AromaticContact CH2-CD2 3.98Å; W554-H568 AromaticContact CH2-NE2 3.27Å; W554-H568 VanDerWaalsContact CH2-NE2 3.27Å; W554-H568 WeakPolarHBondContact CH2-NE2 3.22Å; W554-H568 AromaticContact CZ2-NE2 3.39Å; W554-H568 WeakPolarHBondContact CZ2-NE2 3.36Å; W554-I577 HydrophobicContact CH2-CG2 3.86Å; W554-I577 HydrophobicContact CZ2-CG2 4.12Å; W554-V580 HydrophobicContact CD2-CG1 4.06Å; W554-V580 HydrophobicContact CE3-CG1 3.86Å; W554-V580 HydrophobicContact CH2-CB 4.3Å; W554-V580 HydrophobicContact CH2-CG1 4.19Å; W554-V580 HydrophobicContact CZ2-CB 4.41Å; W554-V580 HydrophobicContact CZ2-CG1 4.38Å; W554-V580 HydrophobicContact CZ3-CB 4.49Å; W554-V580 HydrophobicContact CZ3-CG1 3.92Å; W554-H581 AromaticContact CH2-CE1 3.86Å; W554-H581 AromaticContact CH2-NE2 3.61Å; W554-H581 AromaticContact CZ3-CE1 3.58Å; W554-H581 AromaticContact CZ3-NE2 3.83Å; W554-W628 HydrophobicContact CZ3-CZ2 4.42Å |
| 555 | S | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 112 | Y551 M552 C553 L557 Q558 R559 V627 W628 | Y551-S555 VanDerWaalsContact O-CB 3.24Å; Y551-S555 WeakPolarHBondContact O-CB 3.16Å; Y551-S555 PolarHBondContact O-N 3.01Å; Y551-S555 PolarHBondContact O-OG 2.76Å; M552-S555 PolarHBondContact O-N 3.47Å; C553-S555 VanDerWaalsContact C-N 3.34Å; C553-S555 PolarHBondContact O-N 3Å; S555-L557 VanDerWaalsContact C-N 3.33Å; S555-L557 PolarHBondContact O-N 2.96Å; S555-Q558 PolarHBondContact O-N 3.31Å; S555-R559 WeakPolarHBondContact O-CG 3.34Å; S555-R559 PolarHBondContact O-N 3.3Å; S555-V627 VanDerWaalsContact CB-CG1 3.47Å; S555-W628 WeakPolarHBondContact OG-CZ2 3.45Å; S555-W628 PolarHBondContact OG-NE1 3.44Å |
| 556 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.3 | -76.3 | 168.1 | 0 | 0 | 0 | 112.2 | V480 L481 I484 F487 M552 C553 W554 R559 C560 V627 L630 | V480-L556 HydrophobicContact CG1-CB 4.21Å; V480-L556 HydrophobicContact CG1-CD1 4.43Å; V480-L556 HydrophobicContact CG1-CD2 4.45Å; L481-L556 HydrophobicContact CB-CD1 3.84Å; L481-L556 HydrophobicContact CD1-CD1 4.37Å; L481-L556 HydrophobicContact CG-CD1 4.3Å; I484-L556 HydrophobicContact CD1-CD2 4.12Å; F487-L556 HydrophobicContact CD2-CD1 3.93Å; F487-L556 HydrophobicContact CD2-CD2 4.13Å; F487-L556 HydrophobicContact CE2-CD1 4.4Å; F487-L556 HydrophobicContact CE2-CD2 3.8Å; F487-L556 HydrophobicContact CG-CD1 4.4Å; M552-L556 WeakPolarHBondContact O-CB 3.21Å; M552-L556 WeakPolarHBondContact O-CG 3.1Å; M552-L556 PolarHBondContact O-N 3.28Å; C553-L556 PolarHBondContact O-N 3.33Å; W554-L556 PolarHBondContact O-N 3.3Å; L556-R559 WeakPolarHBondContact O-CB 3.12Å; L556-R559 PolarHBondContact O-N 2.84Å; L556-C560 PolarHBondContact O-N 2.97Å; L556-C560 PolarHBondContact O-SG 3.42Å; L556-V627 HydrophobicContact CD2-CG1 3.86Å; L556-V627 HydrophobicContact CG-CG1 3.75Å; L556-V627 HydrophobicContact CG-CG2 4.42Å; L556-L630 HydrophobicContact CD2-CD2 4.25Å |
| 557 | L | 91.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.068 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.8 | 177.7 | 66.4 | 0 | 0 | 0 | 111 | L473 F476 C553 W554 S555 R559 C560 F561 L642 | L473-L557 HydrophobicContact CB-CD2 4.08Å; L473-L557 HydrophobicContact CD2-CD1 4.32Å; F476-L557 HydrophobicContact CD1-CD1 3.78Å; F476-L557 HydrophobicContact CE1-CD1 4.24Å; C553-L557 PolarHBondContact O-N 3.23Å; W554-L557 WeakPolarHBondContact O-CB 3.37Å; W554-L557 PolarHBondContact O-N 3.41Å; S555-L557 VanDerWaalsContact C-N 3.33Å; S555-L557 PolarHBondContact O-N 2.96Å; L557-R559 VanDerWaalsContact C-N 3.28Å; L557-R559 PolarHBondContact O-N 3.47Å; L557-C560 WeakPolarHBondContact O-CA 3.13Å; L557-C560 WeakPolarHBondContact O-CB 3.43Å; L557-C560 PolarHBondContact O-N 3.47Å; L557-F561 HydrophobicContact CD1-CD2 4.37Å; L557-F561 HydrophobicContact CD1-CE2 3.8Å; L557-F561 HydrophobicContact CD1-CZ 4.4Å; L557-F561 HydrophobicContact CD2-CE2 4.15Å; L557-F561 HydrophobicContact CG-CD2 4.1Å; L557-F561 HydrophobicContact CG-CE2 3.65Å; L557-F561 VanDerWaalsContact O-CD2 3.23Å; L557-F561 WeakPolarHBondContact O-CD2 3.38Å; L557-F561 PolarHBondContact O-N 3.48Å; L557-L642 HydrophobicContact CD1-CD2 4.27Å |
| 558 | Q | 90.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -37.3 | 174.5 | -60.1 | -48 | -47.8 | 0 | 0 | 112.2 | W554 S555 C560 F561 G562 H563 H568 W628 | W554-Q558 HydrophobicContact CD2-CG 4.32Å; W554-Q558 HydrophobicContact CH2-CG 4.5Å; W554-Q558 HydrophobicContact CZ2-CG 4.11Å; W554-Q558 WeakPolarHBondContact O-CG 3.49Å; W554-Q558 PolarHBondContact O-N 2.96Å; S555-Q558 PolarHBondContact O-N 3.31Å; Q558-C560 VanDerWaalsContact C-N 3.32Å; Q558-C560 PolarHBondContact O-N 3.24Å; Q558-F561 WeakPolarHBondContact O-CB 3.47Å; Q558-F561 PolarHBondContact O-N 3.1Å; Q558-G562 PolarHBondContact O-N 2.94Å; Q558-H563 WeakPolarHBondContact O-CB 3.15Å; Q558-H563 PolarHBondContact O-N 3Å; Q558-H563 VanDerWaalsContact O-N 3.09Å; Q558-H568 VanDerWaalsContact CD-CE1 3.49Å; Q558-H568 PolarHBondContact OE1-CE1 3.44Å; Q558-W628 HydrophobicContact CB-CH2 3.74Å; Q558-W628 HydrophobicContact CB-CZ3 4.11Å; Q558-W628 HydrophobicContact CG-CH2 4.21Å |
| 559 | R | 91.6 | Very high | 89.9 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 171.7 | -65.5 | -71.6 | -61.3 | -176 | 4.1 | 112 | S555 L556 L557 F561 G562 H563 W628 L630 L635 | S555-R559 WeakPolarHBondContact O-CG 3.34Å; S555-R559 PolarHBondContact O-N 3.3Å; L556-R559 WeakPolarHBondContact O-CB 3.12Å; L556-R559 PolarHBondContact O-N 2.84Å; L557-R559 VanDerWaalsContact C-N 3.28Å; L557-R559 PolarHBondContact O-N 3.47Å; R559-F561 VanDerWaalsContact C-N 3.3Å; R559-F561 PolarHBondContact O-N 3.22Å; R559-G562 WeakPolarHBondContact O-CA 3.31Å; R559-G562 PolarHBondContact O-N 2.89Å; R559-H563 WeakPolarHBondContact CD-O 3.4Å; R559-W628 HydrophobicContact CG-CE3 4.27Å; R559-W628 HydrophobicContact CG-CZ3 4.48Å; R559-W628 PolarHBondContact NH1-O 3.02Å; R559-L630 PolarHBondContact NH2-O 2.98Å; R559-L635 HydrophobicContact CB-CD1 3.57Å; R559-L635 HydrophobicContact CG-CD1 4.47Å |
| 560 | C | 89.5 | Confident | 89 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -29.9 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | F476 L556 L557 Q558 G562 M639 L642 | F476-C560 HydrophobicContact CE1-CB 4.13Å; L556-C560 PolarHBondContact O-N 2.97Å; L556-C560 PolarHBondContact O-SG 3.42Å; L557-C560 WeakPolarHBondContact O-CA 3.13Å; L557-C560 WeakPolarHBondContact O-CB 3.43Å; L557-C560 PolarHBondContact O-N 3.47Å; Q558-C560 VanDerWaalsContact C-N 3.32Å; Q558-C560 PolarHBondContact O-N 3.24Å; C560-G562 PolarHBondContact O-N 3.45Å; C560-M639 WeakPolarHBondContact O-CG 3.41Å; C560-L642 HydrophobicContact CB-CD2 3.72Å |
| 561 | F | 87.6 | Confident | 87.9 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -2.2 | 167.9 | -72.6 | -65.7 | 0 | 0 | 0 | 113.8 | L473 L557 Q558 R559 L642 L646 | L473-F561 HydrophobicContact CD2-CZ 4.25Å; L557-F561 HydrophobicContact CD1-CD2 4.37Å; L557-F561 HydrophobicContact CD1-CE2 3.8Å; L557-F561 HydrophobicContact CD1-CZ 4.4Å; L557-F561 HydrophobicContact CD2-CE2 4.15Å; L557-F561 HydrophobicContact CG-CD2 4.1Å; L557-F561 HydrophobicContact CG-CE2 3.65Å; L557-F561 VanDerWaalsContact O-CD2 3.23Å; L557-F561 WeakPolarHBondContact O-CD2 3.38Å; L557-F561 PolarHBondContact O-N 3.48Å; Q558-F561 WeakPolarHBondContact O-CB 3.47Å; Q558-F561 PolarHBondContact O-N 3.1Å; R559-F561 VanDerWaalsContact C-N 3.3Å; R559-F561 PolarHBondContact O-N 3.22Å; F561-L642 HydrophobicContact CD1-CD2 3.81Å; F561-L642 HydrophobicContact CD2-CD2 4.36Å; F561-L642 HydrophobicContact CE1-CD2 3.8Å; F561-L642 HydrophobicContact CE1-CG 4.3Å; F561-L642 HydrophobicContact CE2-CD2 4.35Å; F561-L642 HydrophobicContact CG-CD2 4.1Å; F561-L642 HydrophobicContact CZ-CD2 4.06Å; F561-L646 HydrophobicContact CD1-CD1 4.29Å; F561-L646 HydrophobicContact CE1-CD1 3.64Å |
| 562 | G | 85.9 | Confident | 86.2 | Confident | 46 Ų | 46 | 59 Ų | 59 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 12.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q558 R559 C560 | Q558-G562 PolarHBondContact O-N 2.94Å; R559-G562 WeakPolarHBondContact O-CA 3.31Å; R559-G562 PolarHBondContact O-N 2.89Å; C560-G562 PolarHBondContact O-N 3.45Å |
| 563 | H | 86.5 | Confident | 84.8 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 20% | 0.199 | 30% | 0.302 | C | S | . | . | trans | -86.1 | 138.2 | 178.7 | -55.9 | -34.9 | 0 | 0 | 0 | 111.5 | Q558 R559 H568 Q571 | Q558-H563 WeakPolarHBondContact O-CB 3.15Å; Q558-H563 PolarHBondContact O-N 3Å; Q558-H563 VanDerWaalsContact O-N 3.09Å; R559-H563 WeakPolarHBondContact CD-O 3.4Å; H563-H568 HydrophobicContact CB-CB 4.1Å; H563-H568 AromaticContact CD2-ND1 3.89Å; H563-Q571 PolarHBondContact CE1-NE2 2.88Å; H563-Q571 PolarHBondContact ND1-NE2 3.37Å; H563-Q571 PolarHBondContact NE2-NE2 3.2Å | ||
| 564 | N | 86.5 | Confident | 83.5 | Confident | 77 Ų | 77 | 71 Ų | 71 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | trans | -96 | 167.8 | 158.5 | 67.4 | 59.5 | 0 | 0 | 0 | 109.9 | R566 S567 H568 | N564-R566 VanDerWaalsContact C-N 3.32Å; N564-R566 PolarHBondContact O-N 3.39Å; N564-R566 PolarHBondContact OD1-N 3.1Å; N564-S567 PolarHBondContact N-OG 2.91Å; N564-S567 PolarHBondContact O-N 3.17Å; N564-S567 PolarHBondContact O-OG 3.37Å; N564-S567 PolarHBondContact OD1-N 3.33Å; N564-S567 PolarHBondContact OD1-OG 2.92Å; N564-H568 VanDerWaalsContact O-CB 3.27Å; N564-H568 WeakPolarHBondContact O-CB 3.47Å; N564-H568 PolarHBondContact O-N 2.89Å | ||
| 565 | F | 85.8 | Confident | 82.4 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 37% | 0.373 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.2 | -44.8 | -174.3 | -175.9 | -103.8 | 0 | 0 | 0 | 112.8 | H568 L569 H581 W628 | F565-H568 PolarHBondContact O-N 3.25Å; F565-L569 HydrophobicContact CD1-CD1 3.96Å; F565-L569 HydrophobicContact CE1-CD1 3.42Å; F565-L569 VanDerWaalsContact CE1-CD1 3.42Å; F565-L569 HydrophobicContact CE1-CG 4.45Å; F565-L569 HydrophobicContact CE2-CD1 4.33Å; F565-L569 HydrophobicContact CZ-CD1 3.64Å; F565-L569 HydrophobicContact CZ-CG 4.41Å; F565-L569 WeakPolarHBondContact O-CG 3.3Å; F565-L569 PolarHBondContact O-N 3.21Å; F565-L569 VanDerWaalsContact O-N 3.15Å; F565-H581 AromaticContact CE2-CE1 3.97Å; F565-W628 HydrophobicContact CB-CB 4.23Å; F565-W628 HydrophobicContact CB-CD2 3.98Å; F565-W628 HydrophobicContact CB-CE3 3.97Å; F565-W628 HydrophobicContact CB-CG 4.1Å; F565-W628 AromaticContact CD2-CD2 3.91Å; F565-W628 HydrophobicContact CD2-CD2 3.91Å; F565-W628 AromaticContact CD2-CE2 3.82Å; F565-W628 HydrophobicContact CD2-CE3 4.46Å; F565-W628 HydrophobicContact CD2-CG 4.09Å; F565-W628 HydrophobicContact CD2-CZ2 4.29Å; F565-W628 AromaticContact CD2-NE1 3.95Å; F565-W628 HydrophobicContact CG-CD2 4.44Å; F565-W628 HydrophobicContact CG-CG 4.49Å |
| 566 | R | 83.5 | Confident | 81.6 | Confident | 196 Ų | 196 | 82.3 Ų | 82.3 | 74% | 0.74 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.3 | -48.1 | 179.3 | -68.2 | -175.5 | 179.1 | -175.3 | -0.8 | 111.4 | N564 H568 L569 H570 | N564-R566 VanDerWaalsContact C-N 3.32Å; N564-R566 PolarHBondContact O-N 3.39Å; N564-R566 PolarHBondContact OD1-N 3.1Å; R566-H568 PolarHBondContact O-N 2.81Å; R566-L569 PolarHBondContact O-N 3.47Å; R566-H570 PolarHBondContact O-N 3.29Å; R566-H570 PolarHBondContact O-ND1 2.87Å |
| 567 | S | 83 | Confident | 81.2 | Confident | 47 Ų | 47 | 83 Ų | 83 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 179.3 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | N564 H570 Q571 | N564-S567 PolarHBondContact N-OG 2.91Å; N564-S567 PolarHBondContact O-N 3.17Å; N564-S567 PolarHBondContact O-OG 3.37Å; N564-S567 PolarHBondContact OD1-N 3.33Å; N564-S567 PolarHBondContact OD1-OG 2.92Å; S567-H570 PolarHBondContact O-N 3.45Å; S567-Q571 WeakPolarHBondContact O-CG 3.29Å |
| 568 | H | 82.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.3 | -168.7 | 53.5 | 0 | 0 | 0 | 111.8 | W554 Q558 H563 N564 F565 R566 H570 Q571 I577 H581 W628 | W554-H568 AromaticContact CH2-CD2 3.98Å; W554-H568 AromaticContact CH2-NE2 3.27Å; W554-H568 VanDerWaalsContact CH2-NE2 3.27Å; W554-H568 WeakPolarHBondContact CH2-NE2 3.22Å; W554-H568 AromaticContact CZ2-NE2 3.39Å; W554-H568 WeakPolarHBondContact CZ2-NE2 3.36Å; Q558-H568 VanDerWaalsContact CD-CE1 3.49Å; Q558-H568 PolarHBondContact OE1-CE1 3.44Å; H563-H568 HydrophobicContact CB-CB 4.1Å; H563-H568 AromaticContact CD2-ND1 3.89Å; N564-H568 VanDerWaalsContact O-CB 3.27Å; N564-H568 WeakPolarHBondContact O-CB 3.47Å; N564-H568 PolarHBondContact O-N 2.89Å; F565-H568 PolarHBondContact O-N 3.25Å; R566-H568 PolarHBondContact O-N 2.81Å; H568-H570 VanDerWaalsContact C-N 3.33Å; H568-H570 PolarHBondContact O-N 3.42Å; H568-Q571 PolarHBondContact O-N 3.12Å; H568-I577 VanDerWaalsContact CE1-CD1 3.46Å; H568-I577 WeakPolarHBondContact CE1-CD1 3.34Å; H568-I577 WeakPolarHBondContact NE2-CG2 3.37Å; H568-H581 AromaticContact CD2-NE2 3.91Å; H568-W628 HydrophobicContact CB-CH2 4.43Å; H568-W628 HydrophobicContact CB-CZ3 4.43Å; H568-W628 AromaticContact CD2-CH2 3.85Å |
| 569 | L | 80.7 | Confident | 80.9 | Confident | 68 Ų | 68 | 90 Ų | 90 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.4 | -29.5 | 177.9 | -72.2 | 175.2 | 0 | 0 | 0 | 113.6 | F565 R566 Q571 | F565-L569 HydrophobicContact CD1-CD1 3.96Å; F565-L569 HydrophobicContact CE1-CD1 3.42Å; F565-L569 VanDerWaalsContact CE1-CD1 3.42Å; F565-L569 HydrophobicContact CE1-CG 4.45Å; F565-L569 HydrophobicContact CE2-CD1 4.33Å; F565-L569 HydrophobicContact CZ-CD1 3.64Å; F565-L569 HydrophobicContact CZ-CG 4.41Å; F565-L569 WeakPolarHBondContact O-CG 3.3Å; F565-L569 PolarHBondContact O-N 3.21Å; F565-L569 VanDerWaalsContact O-N 3.15Å; R566-L569 PolarHBondContact O-N 3.47Å; L569-Q571 VanDerWaalsContact C-N 3.34Å |
| 570 | H | 76.8 | Confident | 81 | Confident | 161 Ų | 161 | 91.3 Ų | 91.3 | 75% | 0.745 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7 | -177.6 | -69.6 | 74.6 | 0 | 0 | 0 | 114 | R566 S567 H568 | R566-H570 PolarHBondContact O-N 3.29Å; R566-H570 PolarHBondContact O-ND1 2.87Å; S567-H570 PolarHBondContact O-N 3.45Å; H568-H570 VanDerWaalsContact C-N 3.33Å; H568-H570 PolarHBondContact O-N 3.42Å |
| 571 | Q | 73.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -72.3 | 148 | 178.4 | -76.9 | -175.3 | -17.9 | 0 | 0 | 113 | H563 S567 H568 L569 K573 Y574 | H563-Q571 PolarHBondContact CE1-NE2 2.88Å; H563-Q571 PolarHBondContact ND1-NE2 3.37Å; H563-Q571 PolarHBondContact NE2-NE2 3.2Å; S567-Q571 WeakPolarHBondContact O-CG 3.29Å; H568-Q571 PolarHBondContact O-N 3.12Å; L569-Q571 VanDerWaalsContact C-N 3.34Å; Q571-K573 PolarHBondContact O-N 3.44Å; Q571-Y574 PolarHBondContact O-N 3.3Å |
| 572 | R | 60.3 | Low | 81.5 | Confident | 258 Ų | 258 | 93.9 Ų | 93.9 | 97% | 0.974 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -12.7 | 173 | -72.1 | -173.2 | 177.5 | -173.8 | -0.7 | 114.5 | ||
| 573 | K | 66.8 | Low | 81.9 | Confident | 143 Ų | 143 | 96.6 Ų | 96.6 | 62% | 0.622 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 19.3 | 176.5 | -63.9 | -178.9 | -178.6 | 175.2 | 0 | 113.6 | Q571 L575 K576 I577 | Q571-K573 PolarHBondContact O-N 3.44Å; K573-L575 PolarHBondContact O-N 3.07Å; K573-L575 VanDerWaalsContact O-N 3.09Å; K573-K576 PolarHBondContact O-N 3.32Å; K573-I577 HydrophobicContact CB-CD1 4.46Å |
| 574 | Y | 68.4 | Low | 82.3 | Confident | 117 Ų | 117 | 95.1 Ų | 95.1 | 46% | 0.459 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -49.9 | -38.6 | -175 | 80.7 | -85.7 | 0 | 0 | 0 | 114.1 | Q571 K576 I577 M578 | Q571-Y574 PolarHBondContact O-N 3.3Å; Y574-K576 PolarHBondContact O-N 2.74Å; Y574-K576 VanDerWaalsContact O-N 3.15Å; Y574-I577 PolarHBondContact O-N 3.02Å; Y574-M578 HydrophobicContact CD2-CG 4.39Å; Y574-M578 HydrophobicContact CD2-SD 4.13Å; Y574-M578 WeakPolarHBondContact O-CG 3.32Å; Y574-M578 PolarHBondContact O-N 3.33Å |
| 575 | L | 71.3 | Confident | 82.8 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.1 | -24.7 | 177.7 | -68.6 | 170.9 | 0 | 0 | 0 | 113.8 | K573 P579 | K573-L575 PolarHBondContact O-N 3.07Å; K573-L575 VanDerWaalsContact O-N 3.09Å; L575-P579 WeakPolarHBondContact O-CD 3.5Å |
| 576 | K | 77.6 | Confident | 83.4 | Confident | 172 Ų | 172 | 96.4 Ų | 96.4 | 75% | 0.748 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -89 | -19.3 | 176.8 | -62.9 | -171 | 177.4 | -171.9 | 0 | 113.1 | K573 Y574 | K573-K576 PolarHBondContact O-N 3.32Å; Y574-K576 PolarHBondContact O-N 2.74Å; Y574-K576 VanDerWaalsContact O-N 3.15Å |
| 577 | I | 84.9 | Confident | 84 | Confident | 15 Ų | 15 | 88.2 Ų | 88.2 | 8% | 0.077 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -100.4 | -41.4 | -172 | -66.9 | 162.8 | 0 | 0 | 0 | 111.2 | W554 H568 K573 Y574 P579 V580 | W554-I577 HydrophobicContact CH2-CG2 3.86Å; W554-I577 HydrophobicContact CZ2-CG2 4.12Å; H568-I577 VanDerWaalsContact CE1-CD1 3.46Å; H568-I577 WeakPolarHBondContact CE1-CD1 3.34Å; H568-I577 WeakPolarHBondContact NE2-CG2 3.37Å; K573-I577 HydrophobicContact CB-CD1 4.46Å; Y574-I577 PolarHBondContact O-N 3.02Å; I577-P579 VanDerWaalsContact C-CD 3.42Å; I577-P579 VanDerWaalsContact C-N 3.34Å; I577-V580 PolarHBondContact O-N 2.9Å; I577-V580 VanDerWaalsContact O-N 3.11Å |
| 578 | M | 86.2 | Confident | 84.7 | Confident | 109 Ų | 109 | 88.8 Ų | 88.8 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54.4 | -39.2 | -179.2 | -74.5 | -153.4 | 75.8 | 0 | 0 | 114.5 | Y574 V580 H581 L582 | Y574-M578 HydrophobicContact CD2-CG 4.39Å; Y574-M578 HydrophobicContact CD2-SD 4.13Å; Y574-M578 WeakPolarHBondContact O-CG 3.32Å; Y574-M578 PolarHBondContact O-N 3.33Å; M578-V580 VanDerWaalsContact C-N 3.26Å; M578-V580 PolarHBondContact O-N 3.17Å; M578-H581 PolarHBondContact O-N 3.42Å; M578-L582 WeakPolarHBondContact O-CB 3.37Å; M578-L582 PolarHBondContact O-N 3.37Å |
| 579 | P | 91.3 | Very high | 85.4 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 177.7 | -27.3 | 36.6 | 0 | 0 | 0 | 113.8 | L575 I577 L583 | L575-P579 WeakPolarHBondContact O-CD 3.5Å; I577-P579 VanDerWaalsContact C-CD 3.42Å; I577-P579 VanDerWaalsContact C-N 3.34Å; P579-L583 VanDerWaalsContact O-CB 3.29Å; P579-L583 WeakPolarHBondContact O-CB 3.37Å; P579-L583 PolarHBondContact O-N 3.4Å |
| 580 | V | 91.7 | Very high | 86.2 | Confident | 53 Ų | 53 | 94 Ų | 94 | 32% | 0.321 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.2 | -45 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | Y551 W554 I577 M578 M584 | Y551-V580 HydrophobicContact CD2-CG1 4.09Å; Y551-V580 HydrophobicContact CE2-CG1 4.34Å; W554-V580 HydrophobicContact CD2-CG1 4.06Å; W554-V580 HydrophobicContact CE3-CG1 3.86Å; W554-V580 HydrophobicContact CH2-CB 4.3Å; W554-V580 HydrophobicContact CH2-CG1 4.19Å; W554-V580 HydrophobicContact CZ2-CB 4.41Å; W554-V580 HydrophobicContact CZ2-CG1 4.38Å; W554-V580 HydrophobicContact CZ3-CB 4.49Å; W554-V580 HydrophobicContact CZ3-CG1 3.92Å; I577-V580 PolarHBondContact O-N 2.9Å; I577-V580 VanDerWaalsContact O-N 3.11Å; M578-V580 VanDerWaalsContact C-N 3.26Å; M578-V580 PolarHBondContact O-N 3.17Å; V580-M584 PolarHBondContact O-N 3.1Å |
| 581 | H | 93.2 | Very high | 87.2 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 176 | -70 | -60.5 | 0 | 0 | 0 | 112.1 | Y551 W554 F565 H568 M578 M584 L585 | Y551-H581 AromaticContact CE2-ND1 3.53Å; Y551-H581 AromaticContact CZ-CE1 3.98Å; Y551-H581 AromaticContact CZ-ND1 3.58Å; Y551-H581 PolarHBondContact OH-CE1 3.15Å; Y551-H581 PolarHBondContact OH-ND1 3.48Å; W554-H581 AromaticContact CH2-CE1 3.86Å; W554-H581 AromaticContact CH2-NE2 3.61Å; W554-H581 AromaticContact CZ3-CE1 3.58Å; W554-H581 AromaticContact CZ3-NE2 3.83Å; F565-H581 AromaticContact CE2-CE1 3.97Å; H568-H581 AromaticContact CD2-NE2 3.91Å; M578-H581 PolarHBondContact O-N 3.42Å; H581-M584 PolarHBondContact O-N 2.93Å; H581-L585 WeakPolarHBondContact O-CB 3.34Å; H581-L585 PolarHBondContact O-N 3.4Å |
| 582 | L | 94.4 | Very high | 88.3 | Confident | 98 Ų | 98 | 86.7 Ų | 86.7 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177 | -179 | 62.3 | 0 | 0 | 0 | 111.1 | M578 M584 L585 L586 | M578-L582 WeakPolarHBondContact O-CB 3.37Å; M578-L582 PolarHBondContact O-N 3.37Å; L582-M584 PolarHBondContact O-N 2.98Å; L582-L585 WeakPolarHBondContact O-CB 3.33Å; L582-L585 PolarHBondContact O-N 2.97Å; L582-L586 HydrophobicContact CG-CD1 4.4Å; L582-L586 WeakPolarHBondContact O-CG 3.29Å; L582-L586 PolarHBondContact O-N 3.25Å |
| 583 | L | 95.3 | Very high | 90.1 | Very high | 103 Ų | 103 | 80.2 Ų | 80.2 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 175.2 | 178.7 | 62.8 | 0 | 0 | 0 | 111.1 | P579 L585 L586 L587 | P579-L583 VanDerWaalsContact O-CB 3.29Å; P579-L583 WeakPolarHBondContact O-CB 3.37Å; P579-L583 PolarHBondContact O-N 3.4Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 PolarHBondContact O-N 3.02Å; L583-L586 PolarHBondContact O-N 3.46Å; L583-L587 HydrophobicContact CD1-CG 4.47Å; L583-L587 HydrophobicContact CG-CD1 4.36Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 2.84Å |
| 584 | M | 95.9 | Very high | 91.4 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.059 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 178.2 | -172 | 64.5 | -135.4 | 0 | 0 | 112.1 | F544 L548 Y551 V580 H581 L582 L587 Y588 | F544-M584 HydrophobicContact CD2-CE 4.49Å; F544-M584 HydrophobicContact CE2-CE 3.95Å; L548-M584 HydrophobicContact CB-CE 4.4Å; L548-M584 HydrophobicContact CD1-CE 4.17Å; Y551-M584 HydrophobicContact CD1-CG 3.86Å; Y551-M584 HydrophobicContact CD1-SD 4.32Å; Y551-M584 HydrophobicContact CD2-CB 3.85Å; Y551-M584 HydrophobicContact CD2-CG 3.91Å; Y551-M584 HydrophobicContact CE1-CG 4.15Å; Y551-M584 HydrophobicContact CE2-CB 4.04Å; Y551-M584 HydrophobicContact CE2-CG 4.21Å; Y551-M584 HydrophobicContact CG-CB 4.18Å; Y551-M584 HydrophobicContact CG-CG 3.71Å; Y551-M584 HydrophobicContact CG-SD 4.01Å; V580-M584 PolarHBondContact O-N 3.1Å; H581-M584 PolarHBondContact O-N 2.93Å; L582-M584 PolarHBondContact O-N 2.98Å; M584-L587 PolarHBondContact O-N 3.38Å; M584-Y588 WeakPolarHBondContact O-CB 3.31Å; M584-Y588 PolarHBondContact O-N 3.06Å |
| 585 | L | 96.4 | Very high | 92.8 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.6 | 178.9 | 63 | 0 | 0 | 0 | 111.5 | H581 L582 L583 Y588 I589 | H581-L585 WeakPolarHBondContact O-CB 3.34Å; H581-L585 PolarHBondContact O-N 3.4Å; L582-L585 WeakPolarHBondContact O-CB 3.33Å; L582-L585 PolarHBondContact O-N 2.97Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 PolarHBondContact O-N 3.02Å; L585-Y588 PolarHBondContact O-N 2.87Å; L585-I589 HydrophobicContact CD1-CD1 4.34Å; L585-I589 HydrophobicContact CD1-CG1 4.46Å; L585-I589 HydrophobicContact CG-CD1 4.06Å; L585-I589 VanDerWaalsContact O-CG1 3.32Å; L585-I589 WeakPolarHBondContact O-CG1 3.38Å; L585-I589 PolarHBondContact O-N 3Å |
| 586 | L | 97.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 68.4 Ų | 68.4 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.3 | -69.9 | 171.8 | 0 | 0 | 0 | 111.6 | L582 L583 Y588 I589 W590 | L582-L586 HydrophobicContact CG-CD1 4.4Å; L582-L586 WeakPolarHBondContact O-CG 3.29Å; L582-L586 PolarHBondContact O-N 3.25Å; L583-L586 PolarHBondContact O-N 3.46Å; L586-Y588 VanDerWaalsContact C-N 3.32Å; L586-Y588 PolarHBondContact O-N 3.22Å; L586-I589 PolarHBondContact O-N 2.87Å; L586-W590 PolarHBondContact O-N 3.48Å |
| 587 | L | 97.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 175.5 | -63.6 | 178.2 | 0 | 0 | 0 | 112.1 | F543 P547 L583 M584 W590 Q591 | F543-L587 HydrophobicContact CB-CD2 4.41Å; F543-L587 HydrophobicContact CD1-CD2 4.11Å; F543-L587 WeakPolarHBondContact O-CD2 3.37Å; P547-L587 HydrophobicContact CB-CD1 3.45Å; P547-L587 VanDerWaalsContact CB-CD1 3.45Å; P547-L587 HydrophobicContact CG-CD1 3.8Å; L583-L587 HydrophobicContact CD1-CG 4.47Å; L583-L587 HydrophobicContact CG-CD1 4.36Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 2.84Å; M584-L587 PolarHBondContact O-N 3.38Å; L587-W590 WeakPolarHBondContact O-CB 3.2Å; L587-W590 PolarHBondContact O-N 3.26Å; L587-Q591 PolarHBondContact O-N 3.11Å |
| 588 | Y | 97.7 | Very high | 95.2 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 173.1 | -176 | -103.7 | 0 | 0 | 0 | 112.4 | F544 M584 L585 L586 W590 Q591 V592 T617 T620 P621 | F544-Y588 HydrophobicContact CE2-CD2 4.25Å; F544-Y588 HydrophobicContact CZ-CD2 4.24Å; M584-Y588 WeakPolarHBondContact O-CB 3.31Å; M584-Y588 PolarHBondContact O-N 3.06Å; L585-Y588 PolarHBondContact O-N 2.87Å; L586-Y588 VanDerWaalsContact C-N 3.32Å; L586-Y588 PolarHBondContact O-N 3.22Å; Y588-W590 VanDerWaalsContact C-N 3.29Å; Y588-W590 PolarHBondContact O-N 3.32Å; Y588-Q591 WeakPolarHBondContact O-CB 3.39Å; Y588-Q591 PolarHBondContact O-N 3.24Å; Y588-V592 HydrophobicContact CD1-CG2 4.24Å; Y588-V592 HydrophobicContact CE1-CG2 3.89Å; Y588-V592 WeakPolarHBondContact O-CG2 3.19Å; Y588-V592 PolarHBondContact O-N 3.24Å; Y588-T617 HydrophobicContact CE2-CG2 3.96Å; Y588-T617 PolarHBondContact OH-O 3.03Å; Y588-T620 HydrophobicContact CD2-CG2 3.97Å; Y588-T620 HydrophobicContact CE2-CG2 4.08Å; Y588-P621 HydrophobicContact CE2-CG 4.13Å; Y588-P621 WeakPolarHBondContact OH-CG 3.49Å |
| 589 | I | 97.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 48% | 0.477 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 172.6 | -69.7 | 165.6 | 0 | 0 | 0 | 110.3 | L585 L586 Q591 V592 Y593 | L585-I589 HydrophobicContact CD1-CD1 4.34Å; L585-I589 HydrophobicContact CD1-CG1 4.46Å; L585-I589 HydrophobicContact CG-CD1 4.06Å; L585-I589 VanDerWaalsContact O-CG1 3.32Å; L585-I589 WeakPolarHBondContact O-CG1 3.38Å; L585-I589 PolarHBondContact O-N 3Å; L586-I589 PolarHBondContact O-N 2.87Å; I589-Q591 PolarHBondContact O-N 3Å; I589-V592 PolarHBondContact O-N 2.88Å; I589-Y593 WeakPolarHBondContact O-CB 3.27Å; I589-Y593 PolarHBondContact O-N 3.4Å |
| 590 | W | 96.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 60.8 Ų | 60.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 174.2 | 179.4 | 88.6 | 0 | 0 | 0 | 112.1 | F543 F544 L586 L587 Y588 Y593 S594 | F543-W590 HydrophobicContact CB-CE3 4.24Å; F543-W590 HydrophobicContact CB-CH2 4.21Å; F543-W590 HydrophobicContact CB-CZ3 4.05Å; F544-W590 HydrophobicContact CB-CZ3 4.33Å; L586-W590 PolarHBondContact O-N 3.48Å; L587-W590 WeakPolarHBondContact O-CB 3.2Å; L587-W590 PolarHBondContact O-N 3.26Å; Y588-W590 VanDerWaalsContact C-N 3.29Å; Y588-W590 PolarHBondContact O-N 3.32Å; W590-Y593 PolarHBondContact O-N 3.04Å; W590-S594 PolarHBondContact O-N 2.89Å |
| 591 | Q | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.8 | 179.7 | 72.1 | 12.1 | 0 | 0 | 111.9 | F544 L587 Y588 I589 S594 C595 L612 R613 T617 | F544-Q591 HydrophobicContact CD1-CG 4.1Å; F544-Q591 HydrophobicContact CD2-CB 3.63Å; F544-Q591 HydrophobicContact CD2-CG 4.09Å; F544-Q591 HydrophobicContact CE1-CB 4.39Å; F544-Q591 HydrophobicContact CE1-CG 3.82Å; F544-Q591 HydrophobicContact CE2-CB 3.5Å; F544-Q591 VanDerWaalsContact CE2-CB 3.5Å; F544-Q591 HydrophobicContact CE2-CG 3.83Å; F544-Q591 HydrophobicContact CG-CB 4.14Å; F544-Q591 HydrophobicContact CG-CG 4.22Å; F544-Q591 HydrophobicContact CZ-CB 3.89Å; F544-Q591 HydrophobicContact CZ-CG 3.66Å; L587-Q591 PolarHBondContact O-N 3.11Å; Y588-Q591 WeakPolarHBondContact O-CB 3.39Å; Y588-Q591 PolarHBondContact O-N 3.24Å; I589-Q591 PolarHBondContact O-N 3Å; Q591-S594 WeakPolarHBondContact O-CB 3.48Å; Q591-S594 PolarHBondContact O-N 2.79Å; Q591-S594 PolarHBondContact O-OG 2.88Å; Q591-C595 PolarHBondContact O-N 3.05Å; Q591-C595 PolarHBondContact O-SG 2.87Å; Q591-L612 PolarHBondContact NE2-O 3.17Å; Q591-L612 VanDerWaalsContact NE2-O 3.11Å; Q591-R613 PolarHBondContact NE2-O 3.35Å; Q591-T617 WeakPolarHBondContact CG-OG1 3.38Å |
| 592 | V | 97.7 | Very high | 96 | Very high | 65 Ų | 65 | 57.3 Ų | 57.3 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y588 I589 S594 C595 Y596 T617 | Y588-V592 HydrophobicContact CD1-CG2 4.24Å; Y588-V592 HydrophobicContact CE1-CG2 3.89Å; Y588-V592 WeakPolarHBondContact O-CG2 3.19Å; Y588-V592 PolarHBondContact O-N 3.24Å; I589-V592 PolarHBondContact O-N 2.88Å; V592-S594 VanDerWaalsContact C-N 3.27Å; V592-S594 PolarHBondContact O-N 3.5Å; V592-C595 VanDerWaalsContact O-CB 3.27Å; V592-C595 WeakPolarHBondContact O-CB 3.34Å; V592-C595 PolarHBondContact O-N 2.75Å; V592-Y596 PolarHBondContact O-N 3.24Å; V592-Y596 VanDerWaalsContact O-N 3.16Å; V592-T617 HydrophobicContact CG2-CG2 3.65Å |
| 593 | Y | 96.4 | Very high | 96 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | 175.9 | 180 | -100.2 | 0 | 0 | 0 | 111.9 | I589 W590 C595 Y596 F597 | I589-Y593 WeakPolarHBondContact O-CB 3.27Å; I589-Y593 PolarHBondContact O-N 3.4Å; W590-Y593 PolarHBondContact O-N 3.04Å; Y593-C595 PolarHBondContact O-N 3.41Å; Y593-Y596 HydrophobicContact CD2-CD1 4.23Å; Y593-Y596 HydrophobicContact CE2-CD1 4.02Å; Y593-Y596 WeakPolarHBondContact O-CB 3.43Å; Y593-Y596 PolarHBondContact O-N 2.86Å; Y593-Y596 VanDerWaalsContact O-N 3.1Å; Y593-F597 PolarHBondContact O-N 3.33Å |
| 594 | S | 95.3 | Very high | 96 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -29.4 | 174.6 | 82.5 | 0 | 0 | 0 | 0 | 113.1 | W590 Q591 V592 L598 R613 | W590-S594 PolarHBondContact O-N 2.89Å; Q591-S594 WeakPolarHBondContact O-CB 3.48Å; Q591-S594 PolarHBondContact O-N 2.79Å; Q591-S594 PolarHBondContact O-OG 2.88Å; V592-S594 VanDerWaalsContact C-N 3.27Å; V592-S594 PolarHBondContact O-N 3.5Å; S594-L598 WeakPolarHBondContact O-CB 3.48Å; S594-L598 PolarHBondContact O-N 2.91Å; S594-L598 VanDerWaalsContact O-N 3.09Å; S594-R613 WeakPolarHBondContact OG-CD 3.45Å; S594-R613 PolarHBondContact OG-NH1 2.95Å |
| 595 | C | 96.9 | Very high | 96 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.5 | -42.6 | 172.4 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | Q591 V592 Y593 L598 Y599 F607 T617 | Q591-C595 PolarHBondContact O-N 3.05Å; Q591-C595 PolarHBondContact O-SG 2.87Å; V592-C595 VanDerWaalsContact O-CB 3.27Å; V592-C595 WeakPolarHBondContact O-CB 3.34Å; V592-C595 PolarHBondContact O-N 2.75Å; Y593-C595 PolarHBondContact O-N 3.41Å; C595-L598 WeakPolarHBondContact O-CB 3.45Å; C595-L598 PolarHBondContact O-N 3.41Å; C595-Y599 PolarHBondContact O-N 2.94Å; C595-F607 HydrophobicContact CB-CD2 4.21Å; C595-F607 HydrophobicContact CB-CE2 3.9Å; C595-T617 PolarHBondContact SG-OG1 3.47Å |
| 596 | Y | 95.8 | Very high | 96 | Very high | 113 Ų | 113 | 50.7 Ų | 50.7 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 174.3 | 173.3 | -107.3 | 0 | 0 | 0 | 112.2 | L114 V592 Y593 L598 Y599 A600 | L114-Y596 HydrophobicContact CD1-CD1 4.25Å; L114-Y596 HydrophobicContact CD1-CE1 3.49Å; L114-Y596 VanDerWaalsContact CD1-CE1 3.49Å; V592-Y596 PolarHBondContact O-N 3.24Å; V592-Y596 VanDerWaalsContact O-N 3.16Å; Y593-Y596 HydrophobicContact CD2-CD1 4.23Å; Y593-Y596 HydrophobicContact CE2-CD1 4.02Å; Y593-Y596 WeakPolarHBondContact O-CB 3.43Å; Y593-Y596 PolarHBondContact O-N 2.86Å; Y593-Y596 VanDerWaalsContact O-N 3.1Å; Y596-L598 VanDerWaalsContact C-N 3.3Å; Y596-L598 PolarHBondContact O-N 3.43Å; Y596-Y599 HydrophobicContact CD2-CD1 4.26Å; Y596-Y599 HydrophobicContact CE2-CD1 4.31Å; Y596-Y599 WeakPolarHBondContact O-CB 3.48Å; Y596-Y599 PolarHBondContact O-N 2.69Å; Y596-A600 WeakPolarHBondContact O-CB 3.38Å; Y596-A600 PolarHBondContact O-N 3.21Å |
| 597 | F | 94.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 23% | 0.232 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 173.7 | 179.6 | -89.1 | 0 | 0 | 0 | 111.5 | L114 Y593 A600 T601 | L114-F597 HydrophobicContact CD2-CD2 4Å; L114-F597 HydrophobicContact CD2-CE2 4.3Å; Y593-F597 PolarHBondContact O-N 3.33Å; F597-A600 PolarHBondContact O-N 2.9Å; F597-T601 WeakPolarHBondContact O-CB 3.48Å; F597-T601 PolarHBondContact O-N 3.47Å; F597-T601 VanDerWaalsContact O-N 3.12Å; F597-T601 PolarHBondContact O-OG1 2.73Å |
| 598 | L | 95.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.2 | -173.1 | 71.1 | 0 | 0 | 0 | 111.5 | F504 S594 C595 Y596 T601 Y602 A606 S610 R613 | F504-L598 HydrophobicContact CB-CD1 4.42Å; F504-L598 HydrophobicContact CB-CD2 3.88Å; F504-L598 HydrophobicContact CD1-CD1 3.6Å; F504-L598 HydrophobicContact CD1-CD2 4.4Å; F504-L598 HydrophobicContact CD2-CD1 3.89Å; F504-L598 HydrophobicContact CE1-CD1 3.69Å; F504-L598 HydrophobicContact CE2-CD1 3.96Å; F504-L598 HydrophobicContact CG-CD1 3.71Å; F504-L598 HydrophobicContact CG-CD2 4.08Å; F504-L598 HydrophobicContact CG-CG 4.48Å; F504-L598 HydrophobicContact CZ-CD1 3.88Å; S594-L598 WeakPolarHBondContact O-CB 3.48Å; S594-L598 PolarHBondContact O-N 2.91Å; S594-L598 VanDerWaalsContact O-N 3.09Å; C595-L598 WeakPolarHBondContact O-CB 3.45Å; C595-L598 PolarHBondContact O-N 3.41Å; Y596-L598 VanDerWaalsContact C-N 3.3Å; Y596-L598 PolarHBondContact O-N 3.43Å; L598-T601 PolarHBondContact O-N 3.46Å; L598-Y602 HydrophobicContact CD1-CD2 3.72Å; L598-Y602 HydrophobicContact CD1-CE2 4.45Å; L598-Y602 HydrophobicContact CD1-CG 4.38Å; L598-Y602 PolarHBondContact O-N 2.91Å; L598-A606 HydrophobicContact CD1-CB 4.28Å; L598-A606 HydrophobicContact CD2-CB 4.26Å; L598-A606 VanDerWaalsContact CD2-O 3.24Å; L598-A606 WeakPolarHBondContact CD2-O 3.44Å; L598-A606 HydrophobicContact CG-CB 3.96Å; L598-S610 VanDerWaalsContact CD2-CB 3.44Å; L598-R613 HydrophobicContact CD2-CB 4.34Å; L598-R613 HydrophobicContact CD2-CG 4.19Å |
| 599 | Y | 95.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.1 | -51.7 | 174 | 168.6 | -107.3 | 0 | 0 | 0 | 112.1 | C595 Y596 T601 G603 T604 F607 | C595-Y599 PolarHBondContact O-N 2.94Å; Y596-Y599 HydrophobicContact CD2-CD1 4.26Å; Y596-Y599 HydrophobicContact CE2-CD1 4.31Å; Y596-Y599 WeakPolarHBondContact O-CB 3.48Å; Y596-Y599 PolarHBondContact O-N 2.69Å; Y599-T601 PolarHBondContact O-N 3.48Å; Y599-T601 VanDerWaalsContact O-N 3.16Å; Y599-G603 VanDerWaalsContact O-CA 3.24Å; Y599-G603 WeakPolarHBondContact O-CA 3.42Å; Y599-G603 PolarHBondContact O-N 3.19Å; Y599-T604 HydrophobicContact CD2-CG2 4.37Å; Y599-T604 HydrophobicContact CE2-CG2 3.71Å; Y599-F607 HydrophobicContact CD2-CB 4.13Å; Y599-F607 HydrophobicContact CD2-CG 4.47Å; Y599-F607 HydrophobicContact CG-CB 4.49Å |
| 600 | A | 94 | Very high | 95.8 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -24.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L114 Y596 F597 | L114-A600 HydrophobicContact CB-CB 3.87Å; L114-A600 HydrophobicContact CD1-CB 3.72Å; L114-A600 HydrophobicContact CG-CB 4.46Å; Y596-A600 WeakPolarHBondContact O-CB 3.38Å; Y596-A600 PolarHBondContact O-N 3.21Å; F597-A600 PolarHBondContact O-N 2.9Å |
| 601 | T | 93.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -100.3 | -43.1 | -175.1 | -49.3 | 0 | 0 | 0 | 0 | 112.8 | L114 K200 R201 F597 L598 Y599 | L114-T601 PolarHBondContact O-OG1 3.44Å; K200-T601 HydrophobicContact CB-CG2 4.34Å; K200-T601 VanDerWaalsContact CD-O 3.22Å; K200-T601 WeakPolarHBondContact CD-O 3.49Å; R201-T601 HydrophobicContact CG-CG2 4.15Å; R201-T601 WeakPolarHBondContact O-CG2 3.39Å; F597-T601 WeakPolarHBondContact O-CB 3.48Å; F597-T601 PolarHBondContact O-N 3.47Å; F597-T601 VanDerWaalsContact O-N 3.12Å; F597-T601 PolarHBondContact O-OG1 2.73Å; L598-T601 PolarHBondContact O-N 3.46Å; Y599-T601 PolarHBondContact O-N 3.48Å; Y599-T601 VanDerWaalsContact O-N 3.16Å |
| 602 | Y | 95.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -117.9 | 3.6 | -170.9 | -64.5 | -83.2 | 0 | 0 | 0 | 113.8 | K200 R201 Y203 F504 I508 L598 A606 | K200-Y602 HydrophobicContact CB-CE1 3.97Å; K200-Y602 HydrophobicContact CD-CD1 4.5Å; K200-Y602 PolarHBondContact O-OH 3.39Å; R201-Y602 PolarHBondContact O-OH 2.88Å; Y203-Y602 HydrophobicContact CD2-CE2 4.44Å; Y203-Y602 AromaticContact CD2-CZ 3.79Å; Y203-Y602 WeakPolarHBondContact CD2-OH 3.24Å; Y203-Y602 AromaticContact CE2-CE2 3.93Å; Y203-Y602 HydrophobicContact CE2-CE2 3.93Å; Y203-Y602 AromaticContact CE2-CZ 3.7Å; Y203-Y602 VanDerWaalsContact CE2-OH 3.31Å; Y203-Y602 WeakPolarHBondContact CE2-OH 3.29Å; F504-Y602 AromaticContact CE2-CD1 3.93Å; F504-Y602 HydrophobicContact CE2-CD1 3.93Å; F504-Y602 HydrophobicContact CE2-CD2 4.15Å; F504-Y602 HydrophobicContact CE2-CE1 4.36Å; F504-Y602 AromaticContact CE2-CG 3.82Å; F504-Y602 HydrophobicContact CE2-CG 3.82Å; F504-Y602 HydrophobicContact CZ-CD1 4.22Å; F504-Y602 HydrophobicContact CZ-CD2 4.05Å; F504-Y602 HydrophobicContact CZ-CE1 4.23Å; F504-Y602 HydrophobicContact CZ-CE2 4.08Å; F504-Y602 HydrophobicContact CZ-CG 4.14Å; I508-Y602 HydrophobicContact CD1-CD1 3.99Å; I508-Y602 HydrophobicContact CD1-CE1 3.88Å; L598-Y602 HydrophobicContact CD1-CD2 3.72Å; L598-Y602 HydrophobicContact CD1-CE2 4.45Å; L598-Y602 HydrophobicContact CD1-CG 4.38Å; L598-Y602 PolarHBondContact O-N 2.91Å; Y602-A606 HydrophobicContact CG-CB 4.45Å |
| 603 | G | 93.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 46 Ų | 46 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | 83.3 | -174.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y599 L605 A606 F607 | Y599-G603 VanDerWaalsContact O-CA 3.24Å; Y599-G603 WeakPolarHBondContact O-CA 3.42Å; Y599-G603 PolarHBondContact O-N 3.19Å; G603-L605 VanDerWaalsContact C-N 3.34Å; G603-L605 PolarHBondContact O-N 3.39Å; G603-A606 PolarHBondContact O-N 3.08Å; G603-F607 PolarHBondContact O-N 3.33Å; G603-F607 VanDerWaalsContact O-N 3.16Å |
| 604 | T | 95.2 | Very high | 95.6 | Very high | 89 Ų | 89 | 40.8 Ų | 40.8 | 55% | 0.546 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -39.6 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | Y599 F607 L608 | Y599-T604 HydrophobicContact CD2-CG2 4.37Å; Y599-T604 HydrophobicContact CE2-CG2 3.71Å; T604-F607 WeakPolarHBondContact O-CB 3.42Å; T604-F607 PolarHBondContact O-N 3.15Å; T604-L608 WeakPolarHBondContact O-CG 3.39Å; T604-L608 PolarHBondContact O-N 3.38Å |
| 605 | L | 95.9 | Very high | 95.7 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 27% | 0.272 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -45.8 | -178.1 | -171 | 70.5 | 0 | 0 | 0 | 111.5 | F505 L513 G603 F607 L608 F609 | F505-L605 HydrophobicContact CD1-CD2 3.89Å; F505-L605 HydrophobicContact CD1-CG 4.13Å; F505-L605 HydrophobicContact CE1-CD2 3.67Å; F505-L605 HydrophobicContact CE1-CG 4.34Å; F505-L605 CarbonylContact O-C 3.55Å; L513-L605 HydrophobicContact CD1-CD2 4.38Å; L513-L605 HydrophobicContact CD2-CD2 3.44Å; L513-L605 VanDerWaalsContact CD2-CD2 3.44Å; G603-L605 VanDerWaalsContact C-N 3.34Å; G603-L605 PolarHBondContact O-N 3.39Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3.31Å; L605-L608 PolarHBondContact O-N 2.7Å; L605-F609 HydrophobicContact CD1-CD2 3.5Å; L605-F609 VanDerWaalsContact CD1-CD2 3.5Å; L605-F609 HydrophobicContact CD1-CE2 3.65Å; L605-F609 HydrophobicContact CG-CD2 4.2Å; L605-F609 WeakPolarHBondContact O-CB 3.35Å; L605-F609 PolarHBondContact O-N 2.94Å |
| 606 | A | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F504 F505 L598 Y602 G603 F609 S610 | F504-A606 HydrophobicContact CD2-CB 3.81Å; F504-A606 HydrophobicContact CE2-CB 4.33Å; F505-A606 WeakPolarHBondContact O-CA 3.44Å; F505-A606 PolarHBondContact O-N 2.95Å; L598-A606 HydrophobicContact CD1-CB 4.28Å; L598-A606 HydrophobicContact CD2-CB 4.26Å; L598-A606 VanDerWaalsContact CD2-O 3.24Å; L598-A606 WeakPolarHBondContact CD2-O 3.44Å; L598-A606 HydrophobicContact CG-CB 3.96Å; Y602-A606 HydrophobicContact CG-CB 4.45Å; G603-A606 PolarHBondContact O-N 3.08Å; A606-F609 CarbonylContact O-C 3.51Å; A606-S610 WeakPolarHBondContact O-CB 3.5Å; A606-S610 PolarHBondContact O-N 3.26Å |
| 607 | F | 96.7 | Very high | 95.8 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 32% | 0.316 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.6 | 176.8 | -104.8 | 0 | 0 | 0 | 112.4 | C595 Y599 G603 T604 L605 T614 | C595-F607 HydrophobicContact CB-CD2 4.21Å; C595-F607 HydrophobicContact CB-CE2 3.9Å; Y599-F607 HydrophobicContact CD2-CB 4.13Å; Y599-F607 HydrophobicContact CD2-CG 4.47Å; Y599-F607 HydrophobicContact CG-CB 4.49Å; G603-F607 PolarHBondContact O-N 3.33Å; G603-F607 VanDerWaalsContact O-N 3.16Å; T604-F607 WeakPolarHBondContact O-CB 3.42Å; T604-F607 PolarHBondContact O-N 3.15Å; L605-F607 VanDerWaalsContact C-N 3.32Å; L605-F607 PolarHBondContact O-N 3.31Å; F607-T614 HydrophobicContact CE2-CG2 4.45Å; F607-T614 HydrophobicContact CZ-CG2 4.37Å; F607-T614 WeakPolarHBondContact O-CB 3.3Å; F607-T614 WeakPolarHBondContact O-CG2 3.49Å; F607-T614 PolarHBondContact O-OG1 3.33Å |
| 608 | L | 96.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 44.7 Ų | 44.7 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.8 | -40.3 | -178.3 | -66.9 | 175.4 | 0 | 0 | 0 | 112.7 | T604 L605 S610 W615 | T604-L608 WeakPolarHBondContact O-CG 3.39Å; T604-L608 PolarHBondContact O-N 3.38Å; L605-L608 PolarHBondContact O-N 2.7Å; L608-S610 PolarHBondContact O-N 2.69Å; L608-W615 PolarHBondContact O-NE1 3.27Å |
| 609 | F | 96.8 | Very high | 96 | Very high | 101 Ų | 101 | 48.3 Ų | 48.3 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 57.5 | -179.2 | -65.7 | -86 | 0 | 0 | 0 | 111.2 | F504 F505 L605 A606 W615 | F504-F609 CarbonylContact C-O 3.59Å; F504-F609 VanDerWaalsContact CA-O 3.25Å; F504-F609 WeakPolarHBondContact CA-O 3.49Å; F505-F609 HydrophobicContact CB-CB 4.24Å; F505-F609 PolarHBondContact N-O 2.94Å; L605-F609 HydrophobicContact CD1-CD2 3.5Å; L605-F609 VanDerWaalsContact CD1-CD2 3.5Å; L605-F609 HydrophobicContact CD1-CE2 3.65Å; L605-F609 HydrophobicContact CG-CD2 4.2Å; L605-F609 WeakPolarHBondContact O-CB 3.35Å; L605-F609 PolarHBondContact O-N 2.94Å; A606-F609 CarbonylContact O-C 3.51Å; F609-W615 HydrophobicContact CD1-CZ2 4.18Å |
| 610 | S | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -123.8 | 94.2 | 171.1 | -177 | 0 | 0 | 0 | 0 | 111.6 | W503 L598 A606 L608 L612 R613 T614 W615 | W503-S610 WeakPolarHBondContact O-CA 3.48Å; W503-S610 PolarHBondContact O-OG 2.92Å; L598-S610 VanDerWaalsContact CD2-CB 3.44Å; A606-S610 WeakPolarHBondContact O-CB 3.5Å; A606-S610 PolarHBondContact O-N 3.26Å; L608-S610 PolarHBondContact O-N 2.69Å; S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 PolarHBondContact O-N 2.97Å; S610-R613 CarbonylContact O-C 3.52Å; S610-R613 PolarHBondContact O-N 3.23Å; S610-R613 WeakPolarHBondContact OG-CB 3.32Å; S610-R613 VanDerWaalsContact OG-CG 3.25Å; S610-R613 WeakPolarHBondContact OG-CG 3.38Å; S610-R613 PolarHBondContact OG-N 3.33Å; S610-T614 PolarHBondContact O-N 3.5Å; S610-W615 PolarHBondContact O-N 3.11Å | ||
| 611 | P | 96.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -63 | -38.8 | 180 | -28.2 | 40.3 | 0 | 0 | 0 | 112.8 | Y497 W503 W615 L616 | Y497-P611 HydrophobicContact CD1-CB 4.49Å; Y497-P611 HydrophobicContact CE1-CB 3.51Å; Y497-P611 HydrophobicContact CE1-CG 4.27Å; Y497-P611 VanDerWaalsContact OH-CB 3.26Å; Y497-P611 WeakPolarHBondContact OH-CB 3.3Å; Y497-P611 WeakPolarHBondContact OH-CG 3.34Å; W503-P611 WeakPolarHBondContact O-CD 3.27Å; P611-W615 HydrophobicContact CB-CD2 4.12Å; P611-W615 HydrophobicContact CB-CE3 3.6Å; P611-W615 HydrophobicContact CB-CZ3 4.01Å; P611-W615 HydrophobicContact CG-CD2 4.03Å; P611-W615 HydrophobicContact CG-CE3 3.6Å; P611-W615 HydrophobicContact CG-CH2 3.99Å; P611-W615 HydrophobicContact CG-CZ2 4.37Å; P611-W615 HydrophobicContact CG-CZ3 3.58Å; P611-L616 WeakPolarHBondContact O-CB 3.34Å; P611-L616 PolarHBondContact O-N 3.19Å; P611-L616 VanDerWaalsContact O-N 3.16Å |
| 612 | L | 95.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -82.4 | -15.9 | -179.2 | -167.1 | 63.7 | 0 | 0 | 0 | 113.5 | L494 T498 W503 Q540 Q591 S610 L616 | L494-L612 HydrophobicContact CD1-CD1 4Å; T498-L612 HydrophobicContact CG2-CD2 4.23Å; T498-L612 WeakPolarHBondContact OG1-CD1 3.34Å; W503-L612 HydrophobicContact CB-CB 4.25Å; W503-L612 HydrophobicContact CB-CD2 4.21Å; W503-L612 HydrophobicContact CD2-CD2 3.7Å; W503-L612 HydrophobicContact CG-CB 4.36Å; W503-L612 HydrophobicContact CG-CD2 3.52Å; W503-L612 HydrophobicContact CZ2-CD2 4.31Å; W503-L612 PolarHBondContact O-N 3Å; Q540-L612 HydrophobicContact CG-CD1 4.25Å; Q540-L612 HydrophobicContact CG-CD2 4.13Å; Q540-L612 HydrophobicContact CG-CG 4.17Å; Q591-L612 PolarHBondContact NE2-O 3.17Å; Q591-L612 VanDerWaalsContact NE2-O 3.11Å; S610-L612 VanDerWaalsContact C-N 3.33Å; S610-L612 PolarHBondContact O-N 2.97Å; L612-L616 HydrophobicContact CD1-CD2 4.31Å |
| 613 | R | 94.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 48 Ų | 48 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -105.1 | -93.2 | 173.7 | -50.6 | -63.7 | -175.3 | 175.4 | -15.9 | 109.8 | Q591 S594 L598 S610 W615 L616 T617 | Q591-R613 PolarHBondContact NE2-O 3.35Å; S594-R613 WeakPolarHBondContact OG-CD 3.45Å; S594-R613 PolarHBondContact OG-NH1 2.95Å; L598-R613 HydrophobicContact CD2-CB 4.34Å; L598-R613 HydrophobicContact CD2-CG 4.19Å; S610-R613 CarbonylContact O-C 3.52Å; S610-R613 PolarHBondContact O-N 3.23Å; S610-R613 WeakPolarHBondContact OG-CB 3.32Å; S610-R613 VanDerWaalsContact OG-CG 3.25Å; S610-R613 WeakPolarHBondContact OG-CG 3.38Å; S610-R613 PolarHBondContact OG-N 3.33Å; R613-W615 PolarHBondContact O-N 3.26Å; R613-L616 PolarHBondContact O-N 3.24Å; R613-T617 PolarHBondContact O-N 3.23Å; R613-T617 PolarHBondContact O-OG1 3.15Å |
| 614 | T | 97.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -57.7 | -45.7 | -169 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | F607 S610 T617 L618 | F607-T614 HydrophobicContact CE2-CG2 4.45Å; F607-T614 HydrophobicContact CZ-CG2 4.37Å; F607-T614 WeakPolarHBondContact O-CB 3.3Å; F607-T614 WeakPolarHBondContact O-CG2 3.49Å; F607-T614 PolarHBondContact O-OG1 3.33Å; S610-T614 PolarHBondContact O-N 3.5Å; T614-T617 WeakPolarHBondContact O-CB 3.37Å; T614-T617 PolarHBondContact O-N 3.49Å; T614-L618 HydrophobicContact CG2-CD1 4.4Å; T614-L618 WeakPolarHBondContact O-CG 3.38Å; T614-L618 PolarHBondContact O-N 3.02Å |
| 615 | W | 97.2 | Very high | 96.4 | Very high | 130 Ų | 130 | 52.6 Ų | 52.6 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -68 | -41.6 | -178.3 | -57.4 | -2.1 | 0 | 0 | 0 | 111.3 | L608 F609 S610 P611 R613 T617 L618 L619 | L608-W615 PolarHBondContact O-NE1 3.27Å; F609-W615 HydrophobicContact CD1-CZ2 4.18Å; S610-W615 PolarHBondContact O-N 3.11Å; P611-W615 HydrophobicContact CB-CD2 4.12Å; P611-W615 HydrophobicContact CB-CE3 3.6Å; P611-W615 HydrophobicContact CB-CZ3 4.01Å; P611-W615 HydrophobicContact CG-CD2 4.03Å; P611-W615 HydrophobicContact CG-CE3 3.6Å; P611-W615 HydrophobicContact CG-CH2 3.99Å; P611-W615 HydrophobicContact CG-CZ2 4.37Å; P611-W615 HydrophobicContact CG-CZ3 3.58Å; R613-W615 PolarHBondContact O-N 3.26Å; W615-T617 VanDerWaalsContact C-N 3.33Å; W615-T617 PolarHBondContact O-N 3.38Å; W615-L618 PolarHBondContact O-N 2.98Å; W615-L619 VanDerWaalsContact O-CB 3.3Å; W615-L619 WeakPolarHBondContact O-CB 3.47Å; W615-L619 PolarHBondContact O-N 3.2Å |
| 616 | L | 96.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 173.8 | 179.3 | 59.5 | 0 | 0 | 0 | 111.3 | L494 F544 P611 L612 R613 L618 L619 T620 | L494-L616 HydrophobicContact CD1-CD1 3.89Å; L494-L616 HydrophobicContact CD1-CD2 3.73Å; L494-L616 HydrophobicContact CD1-CG 4.42Å; L494-L616 HydrophobicContact CD2-CD1 4.05Å; L494-L616 HydrophobicContact CD2-CD2 4.49Å; F544-L616 HydrophobicContact CD1-CD2 3.8Å; F544-L616 HydrophobicContact CD1-CG 4.39Å; F544-L616 HydrophobicContact CE1-CD1 4.45Å; F544-L616 HydrophobicContact CE1-CD2 3.75Å; F544-L616 HydrophobicContact CE1-CG 3.83Å; P611-L616 WeakPolarHBondContact O-CB 3.34Å; P611-L616 PolarHBondContact O-N 3.19Å; P611-L616 VanDerWaalsContact O-N 3.16Å; L612-L616 HydrophobicContact CD1-CD2 4.31Å; R613-L616 PolarHBondContact O-N 3.24Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.47Å; L616-L619 PolarHBondContact O-N 3.23Å; L616-L619 VanDerWaalsContact O-N 3.16Å; L616-T620 PolarHBondContact O-N 2.86Å; L616-T620 PolarHBondContact O-OG1 2.98Å |
| 617 | T | 97.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 175.8 | -57 | 0 | 0 | 0 | 0 | 111.7 | Y588 Q591 V592 C595 R613 T614 W615 P621 | Y588-T617 HydrophobicContact CE2-CG2 3.96Å; Y588-T617 PolarHBondContact OH-O 3.03Å; Q591-T617 WeakPolarHBondContact CG-OG1 3.38Å; V592-T617 HydrophobicContact CG2-CG2 3.65Å; C595-T617 PolarHBondContact SG-OG1 3.47Å; R613-T617 PolarHBondContact O-N 3.23Å; R613-T617 PolarHBondContact O-OG1 3.15Å; T614-T617 WeakPolarHBondContact O-CB 3.37Å; T614-T617 PolarHBondContact O-N 3.49Å; W615-T617 VanDerWaalsContact C-N 3.33Å; W615-T617 PolarHBondContact O-N 3.38Å; T617-P621 WeakPolarHBondContact O-CD 3.23Å |
| 618 | L | 97.3 | Very high | 96 | Very high | 120 Ų | 120 | 49.3 Ų | 49.3 | 63% | 0.628 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -69.6 | -35.6 | 177.4 | -65.5 | 174 | 0 | 0 | 0 | 112.5 | T614 W615 L616 | T614-L618 HydrophobicContact CG2-CD1 4.4Å; T614-L618 WeakPolarHBondContact O-CG 3.38Å; T614-L618 PolarHBondContact O-N 3.02Å; W615-L618 PolarHBondContact O-N 2.98Å; L616-L618 VanDerWaalsContact C-N 3.32Å; L616-L618 PolarHBondContact O-N 3.47Å |
| 619 | L | 96.5 | Very high | 95.8 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.1 | -31.7 | 179.8 | -176.4 | 62.4 | 0 | 0 | 0 | 112.5 | W615 L616 V622 L623 | W615-L619 VanDerWaalsContact O-CB 3.3Å; W615-L619 WeakPolarHBondContact O-CB 3.47Å; W615-L619 PolarHBondContact O-N 3.2Å; L616-L619 PolarHBondContact O-N 3.23Å; L616-L619 VanDerWaalsContact O-N 3.16Å; L619-V622 WeakPolarHBondContact O-CB 3.37Å; L619-V622 PolarHBondContact O-N 2.98Å; L619-V622 VanDerWaalsContact O-N 3.1Å; L619-L623 HydrophobicContact CD1-CG 4.31Å; L619-L623 HydrophobicContact CD2-CD1 4.24Å; L619-L623 HydrophobicContact CG-CD1 3.96Å; L619-L623 HydrophobicContact CG-CG 4.03Å; L619-L623 PolarHBondContact O-N 3.46Å |
| 620 | T | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -50.9 | -175.6 | -69.3 | 0 | 0 | 0 | 0 | 113.5 | F544 L548 Y588 L616 V622 L623 I624 | F544-T620 HydrophobicContact CZ-CG2 4.07Å; F544-T620 WeakPolarHBondContact CZ-OG1 3.47Å; L548-T620 HydrophobicContact CD1-CG2 3.74Å; L548-T620 HydrophobicContact CD2-CG2 4.28Å; Y588-T620 HydrophobicContact CD2-CG2 3.97Å; Y588-T620 HydrophobicContact CE2-CG2 4.08Å; L616-T620 PolarHBondContact O-N 2.86Å; L616-T620 PolarHBondContact O-OG1 2.98Å; T620-V622 PolarHBondContact O-N 3.44Å; T620-L623 PolarHBondContact O-N 2.89Å; T620-I624 HydrophobicContact CG2-CD1 3.76Å; T620-I624 HydrophobicContact CG2-CG1 4.45Å; T620-I624 WeakPolarHBondContact O-CG1 3.38Å; T620-I624 PolarHBondContact O-N 2.78Å |
| 621 | P | 96.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -34.6 | 175.2 | -25.3 | 34 | 0 | 0 | 0 | 113.3 | Y588 T617 R625 | Y588-P621 HydrophobicContact CE2-CG 4.13Å; Y588-P621 WeakPolarHBondContact OH-CG 3.49Å; T617-P621 WeakPolarHBondContact O-CD 3.23Å; P621-R625 VanDerWaalsContact O-CB 3.27Å; P621-R625 WeakPolarHBondContact O-CB 3.35Å; P621-R625 PolarHBondContact O-N 3.28Å |
| 622 | V | 96.6 | Very high | 94 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | L619 T620 I624 R625 C626 | L619-V622 WeakPolarHBondContact O-CB 3.37Å; L619-V622 PolarHBondContact O-N 2.98Å; L619-V622 VanDerWaalsContact O-N 3.1Å; T620-V622 PolarHBondContact O-N 3.44Å; V622-I624 PolarHBondContact O-N 2.72Å; V622-R625 PolarHBondContact O-N 3.18Å; V622-C626 WeakPolarHBondContact O-CB 3.48Å; V622-C626 PolarHBondContact O-N 2.88Å; V622-C626 PolarHBondContact O-SG 3.47Å |
| 623 | L | 95.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.9 | -69.7 | 174.4 | 0 | 0 | 0 | 111.9 | S490 M552 L619 T620 R625 C626 V627 | S490-L623 WeakPolarHBondContact OG-CD2 3.48Å; M552-L623 HydrophobicContact SD-CB 4.21Å; L619-L623 HydrophobicContact CD1-CG 4.31Å; L619-L623 HydrophobicContact CD2-CD1 4.24Å; L619-L623 HydrophobicContact CG-CD1 3.96Å; L619-L623 HydrophobicContact CG-CG 4.03Å; L619-L623 PolarHBondContact O-N 3.46Å; T620-L623 PolarHBondContact O-N 2.89Å; L623-R625 PolarHBondContact O-N 3.29Å; L623-C626 WeakPolarHBondContact O-CB 3.47Å; L623-C626 PolarHBondContact O-N 2.85Å; L623-V627 WeakPolarHBondContact O-CG2 3.21Å; L623-V627 PolarHBondContact O-N 3.1Å |
| 624 | I | 95.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 177.1 | -68.9 | 170.1 | 0 | 0 | 0 | 110.3 | L548 Y551 T620 V622 C626 V627 W628 | L548-I624 HydrophobicContact CD1-CD1 4.35Å; L548-I624 HydrophobicContact CD1-CG1 4.35Å; Y551-I624 HydrophobicContact CD1-CD1 4.14Å; Y551-I624 HydrophobicContact CD1-CG1 4.17Å; Y551-I624 HydrophobicContact CE1-CD1 3.85Å; Y551-I624 HydrophobicContact CE1-CG1 3.94Å; Y551-I624 HydrophobicContact CE1-CG2 3.96Å; T620-I624 HydrophobicContact CG2-CD1 3.76Å; T620-I624 HydrophobicContact CG2-CG1 4.45Å; T620-I624 WeakPolarHBondContact O-CG1 3.38Å; T620-I624 PolarHBondContact O-N 2.78Å; V622-I624 PolarHBondContact O-N 2.72Å; I624-C626 VanDerWaalsContact C-N 3.34Å; I624-C626 PolarHBondContact O-N 2.93Å; I624-V627 PolarHBondContact O-N 2.84Å; I624-W628 PolarHBondContact O-N 3.31Å; I624-W628 VanDerWaalsContact O-N 3.11Å |
| 625 | R | 94.9 | Very high | 92 | Very high | 180 Ų | 180 | 60.7 Ų | 60.7 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 175.1 | -178.7 | -178.7 | 172.9 | 98.1 | -1.3 | 110.8 | P621 V622 L623 V627 W628 T629 | P621-R625 VanDerWaalsContact O-CB 3.27Å; P621-R625 WeakPolarHBondContact O-CB 3.35Å; P621-R625 PolarHBondContact O-N 3.28Å; V622-R625 PolarHBondContact O-N 3.18Å; L623-R625 PolarHBondContact O-N 3.29Å; R625-V627 VanDerWaalsContact C-N 3.29Å; R625-V627 PolarHBondContact O-N 3.41Å; R625-W628 CarbonylContact O-C 3.52Å; R625-W628 PolarHBondContact O-N 3.15Å; R625-T629 HydrophobicContact CG-CG2 4.11Å; R625-T629 WeakPolarHBondContact O-CG2 3.43Å; R625-T629 PolarHBondContact O-N 3.3Å; R625-T629 PolarHBondContact O-OG1 2.95Å |
| 626 | C | 94.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 55.8 Ų | 55.8 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57 | -39.8 | 177.6 | -72.5 | 0 | 0 | 0 | 0 | 112.6 | F487 V622 L623 I624 L630 | F487-C626 HydrophobicContact CE1-CB 4.09Å; F487-C626 HydrophobicContact CZ-CB 4.3Å; V622-C626 WeakPolarHBondContact O-CB 3.48Å; V622-C626 PolarHBondContact O-N 2.88Å; V622-C626 PolarHBondContact O-SG 3.47Å; L623-C626 WeakPolarHBondContact O-CB 3.47Å; L623-C626 PolarHBondContact O-N 2.85Å; I624-C626 VanDerWaalsContact C-N 3.34Å; I624-C626 PolarHBondContact O-N 2.93Å; C626-L630 WeakPolarHBondContact O-CB 3.42Å; C626-L630 PolarHBondContact O-N 3.15Å |
| 627 | V | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 173.4 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | F487 M552 S555 L556 L623 I624 R625 T629 L630 | F487-V627 HydrophobicContact CD1-CG2 3.86Å; F487-V627 HydrophobicContact CE1-CB 4.29Å; F487-V627 HydrophobicContact CE1-CG2 3.29Å; F487-V627 HydrophobicContact CE2-CG2 4.27Å; F487-V627 HydrophobicContact CZ-CB 4.17Å; F487-V627 HydrophobicContact CZ-CG2 3.54Å; M552-V627 HydrophobicContact CB-CG2 4.26Å; M552-V627 HydrophobicContact CG-CG2 4.1Å; S555-V627 VanDerWaalsContact CB-CG1 3.47Å; L556-V627 HydrophobicContact CD2-CG1 3.86Å; L556-V627 HydrophobicContact CG-CG1 3.75Å; L556-V627 HydrophobicContact CG-CG2 4.42Å; L623-V627 WeakPolarHBondContact O-CG2 3.21Å; L623-V627 PolarHBondContact O-N 3.1Å; I624-V627 PolarHBondContact O-N 2.84Å; R625-V627 VanDerWaalsContact C-N 3.29Å; R625-V627 PolarHBondContact O-N 3.41Å; V627-T629 VanDerWaalsContact C-N 3.3Å; V627-T629 PolarHBondContact O-N 3.15Å; V627-L630 PolarHBondContact O-N 3.09Å |
| 628 | W | 93.8 | Very high | 90 | Very high | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.4 | -11.8 | -176 | -71.7 | 109.9 | 0 | 0 | 0 | 114.9 | W554 S555 Q558 R559 F565 H568 I624 R625 | W554-W628 HydrophobicContact CZ3-CZ2 4.42Å; S555-W628 WeakPolarHBondContact OG-CZ2 3.45Å; S555-W628 PolarHBondContact OG-NE1 3.44Å; Q558-W628 HydrophobicContact CB-CH2 3.74Å; Q558-W628 HydrophobicContact CB-CZ3 4.11Å; Q558-W628 HydrophobicContact CG-CH2 4.21Å; R559-W628 HydrophobicContact CG-CE3 4.27Å; R559-W628 HydrophobicContact CG-CZ3 4.48Å; R559-W628 PolarHBondContact NH1-O 3.02Å; F565-W628 HydrophobicContact CB-CB 4.23Å; F565-W628 HydrophobicContact CB-CD2 3.98Å; F565-W628 HydrophobicContact CB-CE3 3.97Å; F565-W628 HydrophobicContact CB-CG 4.1Å; F565-W628 AromaticContact CD2-CD2 3.91Å; F565-W628 HydrophobicContact CD2-CD2 3.91Å; F565-W628 AromaticContact CD2-CE2 3.82Å; F565-W628 HydrophobicContact CD2-CE3 4.46Å; F565-W628 HydrophobicContact CD2-CG 4.09Å; F565-W628 HydrophobicContact CD2-CZ2 4.29Å; F565-W628 AromaticContact CD2-NE1 3.95Å; F565-W628 HydrophobicContact CG-CD2 4.44Å; F565-W628 HydrophobicContact CG-CG 4.49Å; H568-W628 HydrophobicContact CB-CH2 4.43Å; H568-W628 HydrophobicContact CB-CZ3 4.43Å; H568-W628 AromaticContact CD2-CH2 3.85Å; I624-W628 PolarHBondContact O-N 3.31Å; I624-W628 VanDerWaalsContact O-N 3.11Å; R625-W628 CarbonylContact O-C 3.52Å; R625-W628 PolarHBondContact O-N 3.15Å |
| 629 | T | 91.3 | Very high | 89.4 | Confident | 87 Ų | 87 | 57 Ų | 57 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -114.4 | 6.3 | 176.6 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | R625 V627 N631 | R625-T629 HydrophobicContact CG-CG2 4.11Å; R625-T629 WeakPolarHBondContact O-CG2 3.43Å; R625-T629 PolarHBondContact O-N 3.3Å; R625-T629 PolarHBondContact O-OG1 2.95Å; V627-T629 VanDerWaalsContact C-N 3.3Å; V627-T629 PolarHBondContact O-N 3.15Å; T629-N631 PolarHBondContact O-N 2.89Å |
| 630 | L | 90.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | trans | -59 | 127.9 | -179.7 | -173.7 | 74.1 | 0 | 0 | 0 | 111.1 | I484 F487 L556 R559 C626 V627 S632 K634 L635 | I484-L630 HydrophobicContact CD1-CD2 3.73Å; F487-L630 HydrophobicContact CE2-CD1 4.36Å; F487-L630 HydrophobicContact CE2-CD2 4.16Å; L556-L630 HydrophobicContact CD2-CD2 4.25Å; R559-L630 PolarHBondContact NH2-O 2.98Å; C626-L630 WeakPolarHBondContact O-CB 3.42Å; C626-L630 PolarHBondContact O-N 3.15Å; V627-L630 PolarHBondContact O-N 3.09Å; L630-S632 PolarHBondContact O-N 3.09Å; L630-K634 HydrophobicContact CD1-CD 4.31Å; L630-L635 HydrophobicContact CD2-CD1 4.02Å; L630-L635 HydrophobicContact CD2-CD2 3.75Å; L630-L635 HydrophobicContact CD2-CG 3.73Å | ||
| 631 | N | 84.3 | Confident | 87.6 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | trans | -53.6 | 125.3 | 179.8 | -175.8 | -18.2 | 0 | 0 | 0 | 111.3 | T629 A633 K634 | T629-N631 PolarHBondContact O-N 2.89Å; N631-A633 PolarHBondContact O-N 2.95Å; N631-A633 VanDerWaalsContact O-N 3.15Å; N631-A633 WeakPolarHBondContact OD1-CB 3.44Å; N631-A633 PolarHBondContact OD1-N 3.44Å; N631-K634 WeakPolarHBondContact O-CB 3.43Å; N631-K634 PolarHBondContact O-N 3.24Å | ||
| 632 | S | 77.9 | Confident | 86.9 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -57.2 | -27.9 | -178.9 | -53.2 | 0 | 0 | 0 | 0 | 113.3 | L630 K634 L635 G636 | L630-S632 PolarHBondContact O-N 3.09Å; S632-K634 VanDerWaalsContact C-N 3.27Å; S632-K634 PolarHBondContact O-N 3.04Å; S632-L635 CarbonylContact O-C 3.56Å; S632-L635 WeakPolarHBondContact O-CA 3.27Å; S632-L635 PolarHBondContact O-N 2.99Å; S632-G636 PolarHBondContact O-N 3.24Å |
| 633 | A | 77.6 | Confident | 86 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -59.9 | -37 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N631 L635 G636 | N631-A633 PolarHBondContact O-N 2.95Å; N631-A633 VanDerWaalsContact O-N 3.15Å; N631-A633 WeakPolarHBondContact OD1-CB 3.44Å; N631-A633 PolarHBondContact OD1-N 3.44Å; A633-L635 PolarHBondContact O-N 2.9Å; A633-G636 PolarHBondContact O-N 3.47Å |
| 634 | K | 80.4 | Confident | 84.7 | Confident | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -71.4 | -16.5 | 175.9 | -65 | -173.6 | 176.2 | -177.1 | 0 | 113 | L630 N631 S632 | L630-K634 HydrophobicContact CD1-CD 4.31Å; N631-K634 WeakPolarHBondContact O-CB 3.43Å; N631-K634 PolarHBondContact O-N 3.24Å; S632-K634 VanDerWaalsContact C-N 3.27Å; S632-K634 PolarHBondContact O-N 3.04Å |
| 635 | L | 85.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -99.8 | -8 | 175.1 | -67.3 | 173.6 | 0 | 0 | 0 | 112.9 | V480 I484 R559 L630 S632 A633 I637 F638 M639 | V480-L635 HydrophobicContact CG1-CD2 3.98Å; I484-L635 HydrophobicContact CD1-CD2 3.92Å; R559-L635 HydrophobicContact CB-CD1 3.57Å; R559-L635 HydrophobicContact CG-CD1 4.47Å; L630-L635 HydrophobicContact CD2-CD1 4.02Å; L630-L635 HydrophobicContact CD2-CD2 3.75Å; L630-L635 HydrophobicContact CD2-CG 3.73Å; S632-L635 CarbonylContact O-C 3.56Å; S632-L635 WeakPolarHBondContact O-CA 3.27Å; S632-L635 PolarHBondContact O-N 2.99Å; A633-L635 PolarHBondContact O-N 2.9Å; L635-I637 VanDerWaalsContact C-N 3.33Å; L635-I637 PolarHBondContact O-N 3Å; L635-F638 HydrophobicContact CD2-CD2 4.22Å; L635-F638 WeakPolarHBondContact O-CA 3.39Å; L635-F638 WeakPolarHBondContact O-CB 3.47Å; L635-F638 PolarHBondContact O-N 3.34Å; L635-M639 HydrophobicContact CB-CG 4.19Å; L635-M639 HydrophobicContact CB-SD 4.22Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3.28Å |
| 636 | G | 81.3 | Confident | 81.9 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 27% | 0.268 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.2 | -45.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S632 A633 F638 M639 V640 | S632-G636 PolarHBondContact O-N 3.24Å; A633-G636 PolarHBondContact O-N 3.47Å; G636-F638 PolarHBondContact O-N 3.45Å; G636-M639 PolarHBondContact O-N 3.02Å; G636-V640 WeakPolarHBondContact O-CG2 3.23Å; G636-V640 PolarHBondContact O-N 3.37Å |
| 637 | I | 82.9 | Confident | 80.2 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 56% | 0.564 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.4 | -46.1 | 177 | -63.7 | 171 | 0 | 0 | 0 | 110.8 | L635 Q641 | L635-I637 VanDerWaalsContact C-N 3.33Å; L635-I637 PolarHBondContact O-N 3Å; I637-Q641 WeakPolarHBondContact O-CB 3.42Å; I637-Q641 WeakPolarHBondContact O-CG 3.44Å; I637-Q641 PolarHBondContact O-N 3.5Å; I637-Q641 VanDerWaalsContact O-N 3.1Å |
| 638 | F | 86.4 | Confident | 78 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 9% | 0.088 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 179.3 | -56.2 | -61.9 | 0 | 0 | 0 | 112.4 | F476 H479 V480 K483 L635 G636 Q641 L642 | F476-F638 HydrophobicContact CZ-CB 3.96Å; F476-F638 WeakPolarHBondContact CZ-O 3.43Å; H479-F638 AromaticContact CD2-CE1 3.93Å; V480-F638 HydrophobicContact CG1-CD2 4.16Å; V480-F638 HydrophobicContact CG1-CE2 4.44Å; V480-F638 HydrophobicContact CG1-CG 4.47Å; V480-F638 HydrophobicContact CG2-CB 4.07Å; V480-F638 HydrophobicContact CG2-CD1 3.92Å; V480-F638 HydrophobicContact CG2-CD2 4.35Å; V480-F638 HydrophobicContact CG2-CE1 4.47Å; V480-F638 HydrophobicContact CG2-CG 3.85Å; K483-F638 HydrophobicContact CB-CE1 4.46Å; K483-F638 HydrophobicContact CB-CZ 3.74Å; K483-F638 HydrophobicContact CG-CE1 4.43Å; K483-F638 HydrophobicContact CG-CZ 4.18Å; L635-F638 HydrophobicContact CD2-CD2 4.22Å; L635-F638 WeakPolarHBondContact O-CA 3.39Å; L635-F638 WeakPolarHBondContact O-CB 3.47Å; L635-F638 PolarHBondContact O-N 3.34Å; G636-F638 PolarHBondContact O-N 3.45Å; F638-Q641 PolarHBondContact O-N 3.24Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 3.19Å |
| 639 | M | 84.1 | Confident | 77.2 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 177.2 | -68.6 | 179.6 | 71.3 | 0 | 0 | 111.9 | C560 L635 G636 Q641 L642 K643 | C560-M639 WeakPolarHBondContact O-CG 3.41Å; L635-M639 HydrophobicContact CB-CG 4.19Å; L635-M639 HydrophobicContact CB-SD 4.22Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 3.28Å; G636-M639 PolarHBondContact O-N 3.02Å; M639-Q641 VanDerWaalsContact C-N 3.35Å; M639-L642 PolarHBondContact O-N 3.36Å; M639-K643 WeakPolarHBondContact O-CB 3.46Å; M639-K643 WeakPolarHBondContact O-CG 3.35Å; M639-K643 PolarHBondContact O-N 3.23Å |
| 640 | V | 81.1 | Confident | 76.5 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | G636 K643 S644 | G636-V640 WeakPolarHBondContact O-CG2 3.23Å; G636-V640 PolarHBondContact O-N 3.37Å; V640-K643 PolarHBondContact O-N 2.79Å; V640-S644 WeakPolarHBondContact O-CB 3.33Å; V640-S644 PolarHBondContact O-N 3.26Å |
| 641 | Q | 75.6 | Confident | 75.7 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 23% | 0.229 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 177 | -73.4 | 170.9 | -19.3 | 0 | 0 | 111.9 | I637 F638 M639 K643 S644 H645 | I637-Q641 WeakPolarHBondContact O-CB 3.42Å; I637-Q641 WeakPolarHBondContact O-CG 3.44Å; I637-Q641 PolarHBondContact O-N 3.5Å; I637-Q641 VanDerWaalsContact O-N 3.1Å; F638-Q641 PolarHBondContact O-N 3.24Å; M639-Q641 VanDerWaalsContact C-N 3.35Å; Q641-K643 VanDerWaalsContact C-N 3.29Å; Q641-K643 PolarHBondContact O-N 2.91Å; Q641-S644 PolarHBondContact O-N 3.34Å; Q641-H645 PolarHBondContact O-CD2 3.44Å; Q641-H645 PolarHBondContact O-N 3.22Å |
| 642 | L | 81.5 | Confident | 75.2 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 178.9 | -174.5 | 65 | 0 | 0 | 0 | 111.8 | L473 F476 L557 C560 F561 F638 M639 H645 L646 | L473-L642 HydrophobicContact CD2-CD1 4.27Å; F476-L642 HydrophobicContact CD1-CD1 4.29Å; F476-L642 HydrophobicContact CE1-CB 4.22Å; F476-L642 HydrophobicContact CE1-CD1 4.16Å; F476-L642 HydrophobicContact CE1-CD2 4.25Å; F476-L642 HydrophobicContact CE1-CG 4.45Å; F476-L642 HydrophobicContact CZ-CB 3.93Å; F476-L642 HydrophobicContact CZ-CD1 4.45Å; L557-L642 HydrophobicContact CD1-CD2 4.27Å; C560-L642 HydrophobicContact CB-CD2 3.72Å; F561-L642 HydrophobicContact CD1-CD2 3.81Å; F561-L642 HydrophobicContact CD2-CD2 4.36Å; F561-L642 HydrophobicContact CE1-CD2 3.8Å; F561-L642 HydrophobicContact CE1-CG 4.3Å; F561-L642 HydrophobicContact CE2-CD2 4.35Å; F561-L642 HydrophobicContact CG-CD2 4.1Å; F561-L642 HydrophobicContact CZ-CD2 4.06Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 3.19Å; M639-L642 PolarHBondContact O-N 3.36Å; L642-H645 PolarHBondContact O-N 3.5Å; L642-L646 HydrophobicContact CD1-CD1 4.42Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 WeakPolarHBondContact O-CD1 3.48Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.31Å; L642-L646 PolarHBondContact O-N 3.03Å |
| 643 | K | 76.8 | Confident | 75 | Confident | 134 Ų | 134 | 71.3 Ų | 71.3 | 58% | 0.583 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66 | -46.9 | 176.4 | -76.6 | 179.5 | 178.4 | -174.9 | 0 | 112.3 | M639 V640 Q641 H645 L646 S647 | M639-K643 WeakPolarHBondContact O-CB 3.46Å; M639-K643 WeakPolarHBondContact O-CG 3.35Å; M639-K643 PolarHBondContact O-N 3.23Å; V640-K643 PolarHBondContact O-N 2.79Å; Q641-K643 VanDerWaalsContact C-N 3.29Å; Q641-K643 PolarHBondContact O-N 2.91Å; K643-H645 PolarHBondContact O-N 2.89Å; K643-H645 VanDerWaalsContact O-N 3.15Å; K643-L646 PolarHBondContact O-N 3.32Å; K643-S647 PolarHBondContact O-N 2.97Å; K643-S647 VanDerWaalsContact O-N 3.15Å; K643-S647 PolarHBondContact O-OG 3.15Å |
| 644 | S | 68 | Low | 74.8 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.3 | -31.7 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | V640 Q641 S647 S648 | V640-S644 WeakPolarHBondContact O-CB 3.33Å; V640-S644 PolarHBondContact O-N 3.26Å; Q641-S644 PolarHBondContact O-N 3.34Å; S644-S647 PolarHBondContact O-OG 3.15Å; S644-S648 WeakPolarHBondContact O-CB 3.46Å; S644-S648 PolarHBondContact O-N 3.06Å |
| 645 | H | 65.1 | Low | 74.4 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -86.7 | -20.4 | 179 | -73.2 | -61 | 0 | 0 | 0 | 115 | L464 Q641 L642 K643 | L464-H645 HydrophobicContact CD1-CB 4.14Å; Q641-H645 PolarHBondContact O-CD2 3.44Å; Q641-H645 PolarHBondContact O-N 3.22Å; L642-H645 PolarHBondContact O-N 3.5Å; K643-H645 PolarHBondContact O-N 2.89Å; K643-H645 VanDerWaalsContact O-N 3.15Å |
| 646 | L | 67.3 | Low | 73.6 | Confident | 94 Ų | 94 | 70 Ų | 70 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -88.7 | -14.2 | 175.4 | -67.9 | 163.3 | 0 | 0 | 0 | 112.4 | F561 L642 K643 | F561-L646 HydrophobicContact CD1-CD1 4.29Å; F561-L646 HydrophobicContact CE1-CD1 3.64Å; L642-L646 HydrophobicContact CD1-CD1 4.42Å; L642-L646 HydrophobicContact CG-CD1 4.06Å; L642-L646 WeakPolarHBondContact O-CD1 3.48Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.31Å; L642-L646 PolarHBondContact O-N 3.03Å; K643-L646 PolarHBondContact O-N 3.32Å |
| 647 | S | 58.4 | Low | 72.9 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 70% | 0.699 | 41% | 0.414 | S | S | * | . | trans | -101.6 | -15.3 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 114 | K643 S644 | K643-S647 PolarHBondContact O-N 2.97Å; K643-S647 VanDerWaalsContact O-N 3.15Å; K643-S647 PolarHBondContact O-OG 3.15Å; S644-S647 PolarHBondContact O-OG 3.15Å | ||
| 648 | S | 48.3 | Very low | 72 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 73% | 0.734 | 40% | 0.401 | S | S | * | . | trans | -79.2 | 0 | 162.9 | 166.1 | 0 | 0 | 0 | 0 | 108.9 | S644 | S644-S648 WeakPolarHBondContact O-CB 3.46Å; S644-S648 PolarHBondContact O-N 3.06Å |
Retrieved 648 of 648 residues in 144.2 ms
(Link to these results)