| 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 | 59.9 | Low | 61.7 | Low | 203 Ų | 203 | 134.2 Ų | 134.2 | 100% | 1 | 64% | 0.641 | S | S | * | * | 0 | -49.6 | 0 | -83.6 | -161.4 | -166.2 | 0 | 0 | 113.8 | R3 L4 L5 | M1-R3 PolarHBondContact O-N 3.36Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.04Å | |||
| 2 | L | 59.2 | Low | 61.6 | Low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56.6 | -41.5 | -172.3 | -136.1 | 84.7 | 0 | 0 | 0 | 115.3 | L4 L5 Y6 | L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.93Å; L2-L5 PolarHBondContact O-N 3.35Å; L2-Y6 PolarHBondContact O-N 3.37Å; L2-Y6 VanDerWaalsContact O-N 3.09Å |
| 3 | R | 63.2 | Low | 61.6 | Low | 221 Ų | 221 | 129.1 Ų | 129.1 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.8 | -33.4 | 177.9 | -77.1 | -172 | 175.9 | -173.5 | -1 | 113.7 | M1 L7 | M1-R3 PolarHBondContact O-N 3.36Å; R3-L7 PolarHBondContact O-N 3.32Å |
| 4 | L | 63.2 | Low | 61.8 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.7 | -38.7 | 178.5 | -109.5 | 135.4 | 0 | 0 | 0 | 111.3 | M1 L2 L7 M8 | M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.12Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 2.93Å; L4-L7 PolarHBondContact O-N 3.45Å; L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 2.86Å |
| 5 | L | 63.1 | Low | 62.1 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 56% | 0.56 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 173.7 | -75.2 | 163 | 0 | 0 | 0 | 111.7 | M1 L2 M8 Q9 | M1-L5 PolarHBondContact O-N 3.04Å; L2-L5 PolarHBondContact O-N 3.35Å; L5-M8 PolarHBondContact O-N 3.01Å; L5-Q9 WeakPolarHBondContact O-CB 3.33Å; L5-Q9 PolarHBondContact O-N 2.92Å |
| 6 | Y | 63.6 | Low | 62.8 | Low | 163 Ų | 163 | 120.2 Ų | 120.2 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -44 | 177 | -160.7 | -95.9 | 0 | 0 | 0 | 112 | L2 M8 Q9 V10 | L2-Y6 PolarHBondContact O-N 3.37Å; L2-Y6 VanDerWaalsContact O-N 3.09Å; Y6-M8 PolarHBondContact O-N 3.46Å; Y6-Q9 PolarHBondContact O-N 2.96Å; Y6-V10 HydrophobicContact CD1-CG2 3.9Å; Y6-V10 HydrophobicContact CE1-CG2 3.73Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.34Å; Y6-V10 PolarHBondContact O-N 2.89Å |
| 7 | L | 62.1 | Low | 63.9 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.9 | -44.3 | 173.9 | -98.3 | 149.8 | 0 | 0 | 0 | 112 | R3 L4 Q9 V10 I11 | R3-L7 PolarHBondContact O-N 3.32Å; L4-L7 PolarHBondContact O-N 3.45Å; L7-Q9 PolarHBondContact O-N 3.31Å; L7-V10 PolarHBondContact O-N 3.37Å; L7-I11 WeakPolarHBondContact O-CD1 3.39Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.17Å; L7-I11 PolarHBondContact O-N 3.34Å |
| 8 | M | 59.2 | Low | 64.9 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.9 | -38.9 | 176.8 | -70.8 | -76.5 | -84.4 | 0 | 0 | 112.1 | L4 L5 Y6 S12 | L4-M8 WeakPolarHBondContact O-CB 3.47Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 2.86Å; L5-M8 PolarHBondContact O-N 3.01Å; Y6-M8 PolarHBondContact O-N 3.46Å; M8-S12 WeakPolarHBondContact O-CB 3.41Å; M8-S12 PolarHBondContact O-N 2.87Å; M8-S12 PolarHBondContact O-OG 2.8Å; M8-S12 VanDerWaalsContact O-OG 3.12Å |
| 9 | Q | 57.1 | Low | 65.8 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 174.8 | -83.6 | -176.9 | -35.8 | 0 | 0 | 112.9 | L5 Y6 L7 S12 L13 | L5-Q9 WeakPolarHBondContact O-CB 3.33Å; L5-Q9 PolarHBondContact O-N 2.92Å; Y6-Q9 PolarHBondContact O-N 2.96Å; L7-Q9 PolarHBondContact O-N 3.31Å; Q9-S12 WeakPolarHBondContact CA-OG 3.41Å; Q9-S12 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact O-OG 3.13Å; Q9-L13 WeakPolarHBondContact O-CB 3.33Å; Q9-L13 WeakPolarHBondContact O-CD1 3.36Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 2.91Å |
| 10 | V | 64.3 | Low | 66.9 | Low | 54 Ų | 54 | 119 Ų | 119 | 33% | 0.327 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.4 | -41 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Y6 L7 L13 L14 | Y6-V10 HydrophobicContact CD1-CG2 3.9Å; Y6-V10 HydrophobicContact CE1-CG2 3.73Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.34Å; Y6-V10 PolarHBondContact O-N 2.89Å; L7-V10 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 2.84Å; V10-L14 HydrophobicContact CG1-CD1 3.87Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 3.26Å |
| 11 | I | 63.5 | Low | 67.8 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65 | -41.6 | 175.9 | -66.3 | 164.6 | 0 | 0 | 0 | 110.9 | L7 L14 N15 | L7-I11 WeakPolarHBondContact O-CD1 3.39Å; L7-I11 VanDerWaalsContact O-CG1 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.17Å; L7-I11 PolarHBondContact O-N 3.34Å; I11-L14 PolarHBondContact O-N 3.11Å; I11-N15 WeakPolarHBondContact O-CB 3.22Å; I11-N15 PolarHBondContact O-N 2.9Å |
| 12 | S | 60.5 | Low | 69.1 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -35.8 | 177.8 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | M8 Q9 G16 | M8-S12 WeakPolarHBondContact O-CB 3.41Å; M8-S12 PolarHBondContact O-N 2.87Å; M8-S12 PolarHBondContact O-OG 2.8Å; M8-S12 VanDerWaalsContact O-OG 3.12Å; Q9-S12 WeakPolarHBondContact CA-OG 3.41Å; Q9-S12 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact O-OG 3.13Å; S12-G16 PolarHBondContact O-N 3.25Å |
| 13 | L | 61.7 | Low | 70.5 | Confident | 130 Ų | 130 | 105.6 Ų | 105.6 | 68% | 0.681 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.1 | -45.3 | 172.4 | -76.5 | 166.1 | 0 | 0 | 0 | 111.9 | Q9 V10 G16 D17 | Q9-L13 WeakPolarHBondContact O-CB 3.33Å; Q9-L13 WeakPolarHBondContact O-CD1 3.36Å; Q9-L13 VanDerWaalsContact O-CG 3.26Å; Q9-L13 WeakPolarHBondContact O-CG 3.46Å; Q9-L13 PolarHBondContact O-N 2.91Å; V10-L13 PolarHBondContact O-N 2.84Å; L13-G16 PolarHBondContact O-N 3.39Å; L13-D17 PolarHBondContact O-N 2.98Å |
| 14 | L | 65.3 | Low | 71.9 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -41 | 177.4 | -75.7 | 167.6 | 0 | 0 | 0 | 112 | V10 I11 G16 D17 Y18 | V10-L14 HydrophobicContact CG1-CD1 3.87Å; V10-L14 HydrophobicContact CG1-CG 4.44Å; V10-L14 WeakPolarHBondContact O-CB 3.31Å; V10-L14 VanDerWaalsContact O-CG 3.32Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 3.11Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-D17 PolarHBondContact O-N 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.95Å |
| 15 | N | 66 | Low | 73.1 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 174 | -84.3 | -10.9 | 0 | 0 | 0 | 112 | I11 Q19 | I11-N15 WeakPolarHBondContact O-CB 3.22Å; I11-N15 PolarHBondContact O-N 2.9Å; N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.24Å |
| 16 | G | 73.3 | Confident | 74.3 | Confident | 35 Ų | 35 | 97 Ų | 97 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S12 L13 L14 T20 | S12-G16 PolarHBondContact O-N 3.25Å; L13-G16 PolarHBondContact O-N 3.39Å; L14-G16 VanDerWaalsContact C-N 3.32Å; G16-T20 WeakPolarHBondContact O-CB 3.48Å; G16-T20 PolarHBondContact O-N 3.47Å; G16-T20 PolarHBondContact O-OG1 2.8Å |
| 17 | D | 81.3 | Confident | 75.4 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.5 | -41 | 179.6 | -152.2 | 6 | 0 | 0 | 0 | 111.5 | L13 L14 T20 A21 | L13-D17 PolarHBondContact O-N 2.98Å; L14-D17 PolarHBondContact O-N 3.32Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-A21 WeakPolarHBondContact O-CB 3.31Å; D17-A21 PolarHBondContact O-N 3.32Å |
| 18 | Y | 82.6 | Confident | 76.7 | Confident | 154 Ų | 154 | 94.2 Ų | 94.2 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -48.1 | 174.5 | -179.3 | -96.6 | 0 | 0 | 0 | 112.6 | L14 T20 A21 V22 | L14-Y18 WeakPolarHBondContact O-CB 3.48Å; L14-Y18 PolarHBondContact O-N 2.95Å; Y18-T20 VanDerWaalsContact C-N 3.32Å; Y18-T20 PolarHBondContact O-N 2.66Å; Y18-A21 PolarHBondContact O-N 3.3Å; Y18-V22 HydrophobicContact CD1-CG2 4.16Å; Y18-V22 HydrophobicContact CE1-CG2 3.73Å; Y18-V22 HydrophobicContact CE2-CG2 4.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 2.73Å |
| 19 | Q | 81.6 | Confident | 77.9 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.3 | -69.8 | -67.1 | -31.1 | 0 | 0 | 111.3 | N15 A21 V22 D23 | N15-Q19 WeakPolarHBondContact O-CB 3.36Å; N15-Q19 WeakPolarHBondContact O-CG 3.38Å; N15-Q19 PolarHBondContact O-N 3.24Å; Q19-A21 PolarHBondContact O-N 3.29Å; Q19-V22 PolarHBondContact O-N 3.34Å; Q19-D23 PolarHBondContact O-N 2.97Å |
| 20 | T | 86.5 | Confident | 79.1 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 177 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | G16 D17 Y18 D23 L24 | G16-T20 WeakPolarHBondContact O-CB 3.48Å; G16-T20 PolarHBondContact O-N 3.47Å; G16-T20 PolarHBondContact O-OG1 2.8Å; D17-T20 PolarHBondContact O-N 3.49Å; Y18-T20 VanDerWaalsContact C-N 3.32Å; Y18-T20 PolarHBondContact O-N 2.66Å; T20-D23 PolarHBondContact O-N 2.8Å; T20-L24 HydrophobicContact CG2-CD1 4.3Å; T20-L24 WeakPolarHBondContact O-CB 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 2.61Å |
| 21 | A | 87.4 | Confident | 79.9 | Confident | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D17 Y18 Q19 L24 L25 | D17-A21 WeakPolarHBondContact O-CB 3.31Å; D17-A21 PolarHBondContact O-N 3.32Å; Y18-A21 PolarHBondContact O-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.29Å; A21-L24 PolarHBondContact O-N 2.92Å; A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 3.12Å |
| 22 | V | 87.5 | Confident | 80.5 | Confident | 42 Ų | 42 | 99.8 Ų | 99.8 | 26% | 0.255 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | Y18 Q19 L24 L25 I26 | Y18-V22 HydrophobicContact CD1-CG2 4.16Å; Y18-V22 HydrophobicContact CE1-CG2 3.73Å; Y18-V22 HydrophobicContact CE2-CG2 4.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.17Å; Y18-V22 PolarHBondContact O-N 2.73Å; Q19-V22 PolarHBondContact O-N 3.34Å; V22-L24 PolarHBondContact O-N 2.86Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 2.84Å; V22-I26 HydrophobicContact CG1-CD1 3.71Å; V22-I26 HydrophobicContact CG1-CG1 4.36Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.48Å |
| 23 | D | 88.3 | Confident | 80.9 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 178.8 | -76.5 | -21.2 | 0 | 0 | 0 | 112.4 | Q19 T20 L25 I26 S27 | Q19-D23 PolarHBondContact O-N 2.97Å; T20-D23 PolarHBondContact O-N 2.8Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 2.65Å; D23-I26 PolarHBondContact O-N 3.5Å; D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.32Å |
| 24 | L | 91.1 | Very high | 80.9 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 174.5 | -75.9 | 172.4 | 0 | 0 | 0 | 111.4 | T20 A21 V22 S27 R28 | T20-L24 HydrophobicContact CG2-CD1 4.3Å; T20-L24 WeakPolarHBondContact O-CB 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 2.61Å; A21-L24 PolarHBondContact O-N 2.92Å; V22-L24 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-N 3.02Å; L24-S27 PolarHBondContact O-OG 3.35Å; L24-R28 WeakPolarHBondContact O-CB 3.4Å; L24-R28 PolarHBondContact O-N 2.94Å |
| 25 | L | 89.7 | Confident | 80.6 | Confident | 96 Ų | 96 | 107 Ų | 107 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -48 | 176.2 | -179.6 | 63.3 | 0 | 0 | 0 | 111.3 | A21 V22 D23 S27 R28 I29 | A21-L25 WeakPolarHBondContact O-CB 3.5Å; A21-L25 PolarHBondContact O-N 3.12Å; V22-L25 WeakPolarHBondContact O-CB 3.44Å; V22-L25 PolarHBondContact O-N 2.84Å; D23-L25 VanDerWaalsContact C-N 3.34Å; D23-L25 PolarHBondContact O-N 2.65Å; L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 2.85Å; L25-R28 WeakPolarHBondContact O-CB 2.96Å; L25-R28 PolarHBondContact O-N 2.91Å; L25-R28 VanDerWaalsContact O-N 3.16Å; L25-I29 HydrophobicContact CD1-CD1 4.28Å; L25-I29 HydrophobicContact CD1-CG1 4.5Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.86Å |
| 26 | I | 88.1 | Confident | 79.9 | Confident | 66 Ų | 66 | 105.5 Ų | 105.5 | 34% | 0.338 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 176.9 | -70.6 | 169.3 | 0 | 0 | 0 | 110.4 | V22 D23 R28 I29 Y30 | V22-I26 HydrophobicContact CG1-CD1 3.71Å; V22-I26 HydrophobicContact CG1-CG1 4.36Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.38Å; V22-I26 PolarHBondContact O-N 3.48Å; D23-I26 PolarHBondContact O-N 3.5Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 2.88Å; I26-I29 PolarHBondContact O-N 3.17Å; I26-Y30 HydrophobicContact CG2-CD2 3.7Å; I26-Y30 HydrophobicContact CG2-CE2 3.25Å; I26-Y30 PolarHBondContact O-N 3.05Å |
| 27 | S | 87.2 | Confident | 79 | Confident | 49 Ų | 49 | 110.7 Ų | 110.7 | 34% | 0.343 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 178.2 | 82.2 | 0 | 0 | 0 | 0 | 112.5 | D23 L24 L25 R31 | D23-S27 WeakPolarHBondContact O-CB 3.31Å; D23-S27 PolarHBondContact O-N 3.32Å; L24-S27 PolarHBondContact O-N 3.02Å; L24-S27 PolarHBondContact O-OG 3.35Å; L25-S27 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 2.85Å; S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 2.99Å |
| 28 | R | 87.9 | Confident | 77.5 | Confident | 166 Ų | 166 | 108.6 Ų | 108.6 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.5 | -43.5 | 175.2 | -178.2 | 179.9 | 179.8 | -176.3 | -0.6 | 110.9 | L24 L25 I26 R31 N32 | L24-R28 WeakPolarHBondContact O-CB 3.4Å; L24-R28 PolarHBondContact O-N 2.94Å; L25-R28 WeakPolarHBondContact O-CB 2.96Å; L25-R28 PolarHBondContact O-N 2.91Å; L25-R28 VanDerWaalsContact O-N 3.16Å; I26-R28 VanDerWaalsContact C-N 3.32Å; I26-R28 PolarHBondContact O-N 2.88Å; R28-R31 PolarHBondContact O-N 3.12Å; R28-N32 WeakPolarHBondContact O-CB 3.29Å; R28-N32 PolarHBondContact O-N 3.05Å |
| 29 | I | 85.4 | Confident | 75.9 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.1 | -50 | 176.1 | -69.2 | 167.1 | 0 | 0 | 0 | 109.9 | L25 I26 R31 N32 S33 | L25-I29 HydrophobicContact CD1-CD1 4.28Å; L25-I29 HydrophobicContact CD1-CG1 4.5Å; L25-I29 HydrophobicContact CG-CD1 3.98Å; L25-I29 VanDerWaalsContact O-CG1 3.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.2Å; L25-I29 PolarHBondContact O-N 2.86Å; I26-I29 PolarHBondContact O-N 3.17Å; I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 2.94Å; I29-N32 PolarHBondContact O-N 3.04Å; I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 2.81Å |
| 30 | Y | 82.8 | Confident | 74.5 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 62% | 0.616 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 178.2 | -70.8 | -33.9 | 0 | 0 | 0 | 112.9 | I26 R34 | I26-Y30 HydrophobicContact CG2-CD2 3.7Å; I26-Y30 HydrophobicContact CG2-CE2 3.25Å; I26-Y30 PolarHBondContact O-N 3.05Å; Y30-R34 PolarHBondContact O-N 3.48Å; Y30-R34 VanDerWaalsContact O-N 3.14Å |
| 31 | R | 79.3 | Confident | 72.8 | Confident | 169 Ų | 169 | 108.2 Ų | 108.2 | 64% | 0.638 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 178.5 | -168.2 | -174.1 | -57.1 | -176.3 | 3.1 | 112 | S27 R28 I29 | S27-R31 WeakPolarHBondContact O-CB 3.49Å; S27-R31 PolarHBondContact O-N 2.99Å; R28-R31 PolarHBondContact O-N 3.12Å; I29-R31 VanDerWaalsContact C-N 3.34Å; I29-R31 PolarHBondContact O-N 2.94Å |
| 32 | N | 77.3 | Confident | 71.2 | Confident | 86 Ų | 86 | 114 Ų | 114 | 46% | 0.46 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77.4 | -37.2 | 179.8 | -74.7 | -4.7 | 0 | 0 | 0 | 112.1 | R28 I29 R34 K35 | R28-N32 WeakPolarHBondContact O-CB 3.29Å; R28-N32 PolarHBondContact O-N 3.05Å; I29-N32 PolarHBondContact O-N 3.04Å; N32-R34 PolarHBondContact O-N 2.87Å; N32-K35 PolarHBondContact O-N 2.77Å |
| 33 | S | 69.3 | Low | 69.6 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -35.9 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 112.8 | I29 K35 | I29-S33 WeakPolarHBondContact O-CB 3.34Å; I29-S33 PolarHBondContact O-N 2.81Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 2.73Å |
| 34 | R | 60.8 | Low | 67.5 | Low | 227 Ų | 227 | 117.2 Ų | 117.2 | 86% | 0.857 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -19.4 | 176.9 | -75.9 | -172.1 | -176.1 | -164.8 | 2.5 | 114.1 | Y30 N32 G36 | Y30-R34 PolarHBondContact O-N 3.48Å; Y30-R34 VanDerWaalsContact O-N 3.14Å; N32-R34 PolarHBondContact O-N 2.87Å; R34-G36 PolarHBondContact O-N 3.28Å |
| 35 | K | 59.6 | Low | 65.4 | Low | 144 Ų | 144 | 116.1 Ų | 116.1 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -73 | 100.3 | 169.4 | -69.9 | -179.9 | 178.6 | -175.8 | 0 | 105.8 | N32 S33 H37 | N32-K35 PolarHBondContact O-N 2.77Å; S33-K35 VanDerWaalsContact C-N 3.32Å; S33-K35 PolarHBondContact O-N 2.73Å; K35-H37 PolarHBondContact O-N 3.34Å |
| 36 | G | 50.7 | Low | 63.5 | Low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | trans | -43.4 | 135.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R34 G38 | R34-G36 PolarHBondContact O-N 3.28Å; G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.58Å | ||
| 37 | H | 54.4 | Low | 61.8 | Low | 144 Ų | 144 | 119.8 Ų | 119.8 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | trans | -62.4 | 87.2 | -173.1 | -142.6 | 49.3 | 0 | 0 | 0 | 109.6 | K35 M39 | K35-H37 PolarHBondContact O-N 3.34Å; H37-M39 WeakPolarHBondContact CD2-CG 3.37Å; H37-M39 PolarHBondContact O-N 2.81Å | ||
| 38 | G | 51.1 | Low | 60 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | trans | -73.3 | 79.5 | 162 | 0 | 0 | 0 | 0 | 0 | 106.7 | G36 S40 | G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.58Å; G38-S40 PolarHBondContact O-N 2.91Å | ||
| 39 | M | 47.3 | Very low | 58.2 | Low | 104 Ų | 104 | 123 Ų | 123 | 51% | 0.512 | 63% | 0.629 | S | S | . | * | trans | -56.4 | 123.1 | 177.7 | -76.1 | -178.6 | -58.1 | 0 | 0 | 108.8 | H37 D43 | H37-M39 WeakPolarHBondContact CD2-CG 3.37Å; H37-M39 PolarHBondContact O-N 2.81Å; M39-D43 HydrophobicContact CB-CB 4.15Å; M39-D43 HydrophobicContact CG-CB 4.29Å | ||
| 40 | S | 53.4 | Low | 56.8 | Low | 51 Ų | 51 | 121.7 Ų | 121.7 | 36% | 0.357 | 62% | 0.622 | S | S | . | * | trans | -65.7 | 161.5 | 166.6 | 75 | 0 | 0 | 0 | 0 | 109.1 | G38 E42 D43 | G38-S40 PolarHBondContact O-N 2.91Å; S40-E42 PolarHBondContact O-N 2.96Å; S40-D43 WeakPolarHBondContact CB-OD2 3.33Å; S40-D43 PolarHBondContact N-OD2 3.23Å; S40-D43 PolarHBondContact O-N 3.02Å; S40-D43 PolarHBondContact OG-N 2.91Å; S40-D43 PolarHBondContact OG-OD2 3.22Å | ||
| 41 | Q | 51.2 | Low | 55.9 | Low | 175 Ų | 175 | 116.5 Ų | 116.5 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -18.3 | -177.6 | -163.4 | 164.2 | -10.9 | 0 | 0 | 112.9 | ||
| 42 | E | 53.4 | Low | 55.4 | Low | 175 Ų | 175 | 112 Ų | 112 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -30.6 | 171.3 | -81 | 175.4 | 146.7 | 0 | 0 | 112.8 | S40 K44 | S40-E42 PolarHBondContact O-N 2.96Å; E42-K44 PolarHBondContact O-N 2.79Å |
| 43 | D | 52.5 | Low | 55.3 | Low | 57 Ų | 57 | 112 Ų | 112 | 31% | 0.305 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -73.4 | -8.5 | 179.2 | -58.9 | -41.2 | 0 | 0 | 0 | 113.3 | M39 S40 A45 E46 | M39-D43 HydrophobicContact CB-CB 4.15Å; M39-D43 HydrophobicContact CG-CB 4.29Å; S40-D43 WeakPolarHBondContact CB-OD2 3.33Å; S40-D43 PolarHBondContact N-OD2 3.23Å; S40-D43 PolarHBondContact O-N 3.02Å; S40-D43 PolarHBondContact OG-N 2.91Å; S40-D43 PolarHBondContact OG-OD2 3.22Å; D43-A45 PolarHBondContact O-N 2.78Å; D43-A45 VanDerWaalsContact O-N 3.16Å; D43-E46 PolarHBondContact O-N 2.94Å |
| 44 | K | 45.4 | Very low | 55.8 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -63.1 | -18 | 176.2 | -83.6 | -175.2 | 175.6 | -179.8 | 0 | 113.7 | E42 | E42-K44 PolarHBondContact O-N 2.79Š|
| 45 | A | 46.5 | Very low | 56.8 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -83.5 | -23 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D43 T47 | D43-A45 PolarHBondContact O-N 2.78Å; D43-A45 VanDerWaalsContact O-N 3.16Å; A45-T47 PolarHBondContact O-N 2.86Å |
| 46 | E | 49.6 | Very low | 57.7 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -91.6 | 72.2 | 174.6 | -73.8 | -170 | 164.1 | 0 | 0 | 109.8 | D43 T48 | D43-E46 PolarHBondContact O-N 2.94Å; E46-T48 PolarHBondContact O-N 2.84Å |
| 47 | T | 51.9 | Low | 59.2 | Low | 88 Ų | 88 | 102.2 Ų | 102.2 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | trans | -54.3 | 117.1 | 167.2 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | A45 R49 | A45-T47 PolarHBondContact O-N 2.86Å; T47-R49 WeakPolarHBondContact O-CG 3.27Å; T47-R49 PolarHBondContact O-N 2.67Å | ||
| 48 | T | 49.6 | Very low | 60.4 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | trans | -52.9 | 109.1 | 172.9 | -59 | 0 | 0 | 0 | 0 | 108.1 | E46 I50 T292 | E46-T48 PolarHBondContact O-N 2.84Å; T48-I50 HydrophobicContact CG2-CG1 4.41Å; T48-I50 PolarHBondContact O-N 3.27Å; T48-T292 VanDerWaalsContact O-CB 3.23Å; T48-T292 WeakPolarHBondContact O-CB 3.47Å; T48-T292 WeakPolarHBondContact O-CG2 3.42Å | ||
| 49 | R | 51.5 | Low | 61.9 | Low | 195 Ų | 195 | 98.1 Ų | 98.1 | 74% | 0.736 | 49% | 0.487 | S | S | * | . | trans | -81.4 | 110.6 | 178.9 | -60.8 | -179.7 | 102.1 | 122.5 | -2 | 107.8 | T47 | T47-R49 WeakPolarHBondContact O-CG 3.27Å; T47-R49 PolarHBondContact O-N 2.67Å | ||
| 50 | I | 55.3 | Low | 63.7 | Low | 67 Ų | 67 | 94 Ų | 94 | 34% | 0.344 | 47% | 0.47 | S | S | . | . | trans | -95 | 123.4 | 170.6 | -61.8 | 172.1 | 0 | 0 | 0 | 105 | T48 I290 T292 | T48-I50 HydrophobicContact CG2-CG1 4.41Å; T48-I50 PolarHBondContact O-N 3.27Å; I50-I290 HydrophobicContact CD1-CB 3.7Å; I50-I290 HydrophobicContact CD1-CG2 3.27Å; I50-T292 HydrophobicContact CB-CG2 3.39Å; I50-T292 HydrophobicContact CD1-CG2 3.47Å; I50-T292 VanDerWaalsContact CD1-CG2 3.47Å; I50-T292 HydrophobicContact CG1-CG2 3.31Å | ||
| 51 | S | 64.4 | Low | 65.3 | Low | 49 Ų | 49 | 98.8 Ų | 98.8 | 34% | 0.343 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.2 | -161.5 | -102.5 | 0 | 0 | 0 | 0 | 106.1 | D132 | S51-D132 WeakPolarHBondContact CA-OD1 3.39Å; S51-D132 WeakPolarHBondContact CB-OD1 3.48Å; S51-D132 WeakPolarHBondContact CB-OD2 3.37Å; S51-D132 PolarHBondContact OG-OD1 3.28Å; S51-D132 PolarHBondContact OG-OD2 2.93Å |
| 52 | M | 67.5 | Low | 67.1 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 36% | 0.36 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.5 | -179.6 | -81.7 | -170.9 | 53.2 | 0 | 0 | 109.6 | M54 C133 M135 | M52-M54 PolarHBondContact O-N 3.14Å; M52-C133 PolarHBondContact N-O 3.26Å; M52-C133 PolarHBondContact O-N 2.83Å; M52-M135 HydrophobicContact CB-CE 3.89Å; M52-M135 HydrophobicContact CB-CG 4.29Å; M52-M135 HydrophobicContact CB-SD 4.27Å; M52-M135 HydrophobicContact CE-CE 3.63Å; M52-M135 HydrophobicContact CE-SD 3.77Å; M52-M135 HydrophobicContact CG-CE 4.36Å; M52-M135 HydrophobicContact CG-CG 4.37Å; M52-M135 HydrophobicContact CG-SD 4.16Å; M52-M135 HydrophobicContact SD-CB 4.44Å; M52-M135 HydrophobicContact SD-CE 3.75Å; M52-M135 HydrophobicContact SD-CG 4.04Å; M52-M135 HydrophobicContact SD-SD 3.17Å |
| 53 | K | 76.7 | Confident | 68.9 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 109.8 | 172.8 | -169.9 | 175.1 | -166.7 | -177.6 | 0 | 109.7 | H55 V100 N101 | K53-H55 WeakPolarHBondContact CD-NE2 3.44Å; K53-H55 WeakPolarHBondContact CE-CE1 2.95Å; K53-H55 WeakPolarHBondContact CE-NE2 3.28Å; K53-V100 HydrophobicContact CD-CB 4.32Å; K53-V100 HydrophobicContact CD-CG1 3.87Å; K53-V100 HydrophobicContact CG-CB 4.2Å; K53-V100 HydrophobicContact CG-CG1 4.18Å; K53-V100 HydrophobicContact CG-CG2 4.11Å; K53-N101 WeakPolarHBondContact CE-OD1 3.46Å; K53-N101 PolarHBondContact NZ-ND2 3.04Å; K53-N101 PolarHBondContact NZ-OD1 2.72Å |
| 54 | M | 79.7 | Confident | 70.7 | Confident | 22 Ų | 22 | 86.3 Ų | 86.3 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.1 | 174.8 | -176.4 | 177.9 | 62.9 | 0 | 0 | 109.9 | M52 V56 S130 T131 C147 I149 F231 | M52-M54 PolarHBondContact O-N 3.14Å; M54-V56 HydrophobicContact CE-CG2 3.92Å; M54-V56 HydrophobicContact CG-CG2 3.78Å; M54-V56 HydrophobicContact SD-CG2 3.85Å; M54-S130 CarbonylContact O-C 3.4Å; M54-S130 VanDerWaalsContact O-CA 3.22Å; M54-S130 WeakPolarHBondContact O-CA 3.24Å; M54-T131 WeakPolarHBondContact CE-OG1 3.42Å; M54-T131 PolarHBondContact N-O 2.97Å; M54-T131 PolarHBondContact O-N 2.94Å; M54-C147 HydrophobicContact CE-CB 3.94Å; M54-C147 HydrophobicContact SD-CB 4.06Å; M54-I149 HydrophobicContact CE-CD1 4.26Å; M54-I149 HydrophobicContact CE-CG1 4.15Å; M54-F231 HydrophobicContact SD-CD2 4.5Å; M54-F231 HydrophobicContact SD-CE2 3.41Å; M54-F231 WeakPolarHBondContact SD-CE2 3.45Å; M54-F231 HydrophobicContact SD-CZ 3.65Å |
| 55 | H | 80.8 | Confident | 73 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115 | 173.3 | -70.9 | -80.9 | 0 | 0 | 0 | 110.3 | K53 V129 S130 | K53-H55 WeakPolarHBondContact CD-NE2 3.44Å; K53-H55 WeakPolarHBondContact CE-CE1 2.95Å; K53-H55 WeakPolarHBondContact CE-NE2 3.28Å; H55-V129 CarbonylContact C-O 3.56Å; H55-V129 WeakPolarHBondContact CA-O 3.02Å; H55-S130 PolarHBondContact CE1-OG 3.46Å; H55-S130 VanDerWaalsContact CE1-OG 3.26Å; H55-S130 PolarHBondContact ND1-OG 3.25Å |
| 56 | V | 79.6 | Confident | 75.2 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.1 | 178.3 | -174.9 | 0 | 0 | 0 | 0 | 109.3 | M54 H58 M128 V129 | M54-V56 HydrophobicContact CE-CG2 3.92Å; M54-V56 HydrophobicContact CG-CG2 3.78Å; M54-V56 HydrophobicContact SD-CG2 3.85Å; V56-H58 HydrophobicContact CG1-CB 4.24Å; V56-M128 CarbonylContact O-C 3.52Å; V56-M128 WeakPolarHBondContact O-CA 3.41Å; V56-V129 HydrophobicContact CB-CB 4.49Å; V56-V129 PolarHBondContact N-O 2.82Å; V56-V129 PolarHBondContact O-N 2.83Å |
| 57 | R | 81 | Confident | 77.2 | Confident | 166 Ų | 166 | 78 Ų | 78 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.9 | 168.2 | -173.8 | 175.9 | -179.1 | -176.3 | -3.5 | 107.5 | E126 M128 | R57-E126 HydrophobicContact CG-CG 4.2Å; R57-E126 IonicContact CZ-OE1 3.34Å; R57-E126 IonicContact CZ-OE2 2.71Å; R57-E126 IonicContact NE-OE1 3.9Å; R57-E126 PolarHBondContact NE-OE1 2.99Å; R57-E126 IonicContact NE-OE2 2.72Å; R57-E126 IonicContact NH2-OE1 3.12Å; R57-E126 PolarHBondContact NH2-OE1 3.17Å; R57-E126 IonicContact NH2-OE2 2.68Å; R57-E126 PolarHBondContact NH2-OE2 3.39Å; R57-M128 HydrophobicContact CB-CE 4.49Å |
| 58 | H | 80 | Confident | 79.1 | Confident | 57 Ų | 57 | 81 Ų | 81 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165.2 | -173 | 70.1 | -52.6 | 0 | 0 | 0 | 111.3 | V56 E126 V127 | V56-H58 HydrophobicContact CG1-CB 4.24Å; H58-E126 CarbonylContact O-C 3.54Å; H58-E126 WeakPolarHBondContact O-CA 3.4Å; H58-V127 PolarHBondContact N-O 2.66Å; H58-V127 PolarHBondContact ND1-O 2.93Å; H58-V127 PolarHBondContact O-N 2.89Å |
| 59 | I | 83.2 | Confident | 81.2 | Confident | 75 Ų | 75 | 79 Ų | 79 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 118.8 | 168.5 | -61.5 | 168.1 | 0 | 0 | 0 | 106.6 | P125 W175 | I59-P125 WeakPolarHBondContact CA-O 3.39Å; I59-W175 HydrophobicContact CD1-CE3 3.94Å; I59-W175 HydrophobicContact CD1-CH2 3.14Å; I59-W175 HydrophobicContact CD1-CZ2 4Å; I59-W175 HydrophobicContact CD1-CZ3 3.09Å; I59-W175 HydrophobicContact CG1-CH2 4.33Å |
| 60 | A | 85.5 | Confident | 83.2 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -97 | 126.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109 | I62 S124 P125 V127 | A60-I62 HydrophobicContact CB-CG1 4.34Å; A60-S124 CarbonylContact O-C 3.55Å; A60-S124 VanDerWaalsContact O-CA 3.24Å; A60-S124 WeakPolarHBondContact O-CA 3.1Å; A60-P125 PolarHBondContact N-O 2.9Å; A60-P125 VanDerWaalsContact O-CD 3.22Å; A60-P125 WeakPolarHBondContact O-CD 3.41Å; A60-V127 HydrophobicContact CB-CB 4.42Å; A60-V127 HydrophobicContact CB-CG2 3.9Å |
| 61 | E | 86.3 | Confident | 85.2 | Confident | 150 Ų | 150 | 70.8 Ų | 70.8 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 117.6 | 170.3 | -64.7 | -173.3 | 168.9 | 0 | 0 | 108.9 | Y122 | E61-Y122 HydrophobicContact CB-CE2 4.29Å; E61-Y122 HydrophobicContact CG-CE2 4.32Å |
| 62 | I | 88.3 | Confident | 86.7 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | -177.9 | -53 | 176.8 | 0 | 0 | 0 | 108 | A60 W64 Y107 Y122 T123 P125 | A60-I62 HydrophobicContact CB-CG1 4.34Å; I62-W64 HydrophobicContact CG2-CE3 3.99Å; I62-W64 HydrophobicContact CG2-CZ3 4.19Å; I62-Y107 HydrophobicContact CD1-CD1 3.96Å; I62-Y107 HydrophobicContact CD1-CE1 3.33Å; I62-Y122 WeakPolarHBondContact O-CA 3.42Å; I62-T123 HydrophobicContact CB-CG2 3.93Å; I62-T123 PolarHBondContact N-O 3.12Å; I62-T123 PolarHBondContact O-N 2.99Å; I62-P125 HydrophobicContact CD1-CG 3.89Å |
| 63 | V | 90.8 | Very high | 88 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | V121 Y122 | V63-V121 VanDerWaalsContact CA-O 3.29Å; V63-V121 WeakPolarHBondContact CA-O 3.31Å; V63-Y122 HydrophobicContact CG2-CD2 3.8Å |
| 64 | W | 91.7 | Very high | 88.8 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 170.2 | 170.8 | 72.4 | 98.7 | 0 | 0 | 0 | 110.6 | I62 W90 M91 V113 V121 T123 | I62-W64 HydrophobicContact CG2-CE3 3.99Å; I62-W64 HydrophobicContact CG2-CZ3 4.19Å; W64-W90 AromaticContact CD1-CZ3 3.83Å; W64-W90 WeakPolarHBondContact CZ2-O 3.4Å; W64-W90 AromaticContact NE1-CE3 3.88Å; W64-W90 AromaticContact NE1-CZ3 3.64Å; W64-M91 HydrophobicContact CH2-CE 4.18Å; W64-M91 HydrophobicContact CH2-SD 3.61Å; W64-M91 HydrophobicContact CZ2-SD 4.2Å; W64-V113 HydrophobicContact CH2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CB 3.71Å; W64-V121 HydrophobicContact CD2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CG2 4.34Å; W64-V121 VanDerWaalsContact CE2-CB 3.49Å; W64-V121 HydrophobicContact CE3-CB 4Å; W64-V121 HydrophobicContact CE3-CG1 4.18Å; W64-V121 HydrophobicContact CG-CB 4.32Å; W64-V121 HydrophobicContact CH2-CB 3.95Å; W64-V121 HydrophobicContact CH2-CG1 3.28Å; W64-V121 HydrophobicContact CZ2-CB 3.65Å; W64-V121 HydrophobicContact CZ2-CG1 3.26Å; W64-V121 HydrophobicContact CZ2-CG2 4.07Å; W64-V121 HydrophobicContact CZ3-CB 4.11Å; W64-V121 HydrophobicContact CZ3-CG1 3.75Å; W64-V121 PolarHBondContact N-O 2.83Å; W64-V121 VanDerWaalsContact N-O 3.12Å; W64-V121 PolarHBondContact O-N 3.17Å; W64-T123 HydrophobicContact CH2-CG2 4.23Å; W64-T123 HydrophobicContact CZ3-CG2 3.72Å |
| 65 | Y | 92.6 | Very high | 89.6 | Confident | 132 Ų | 132 | 81 Ų | 81 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.8 | 176.4 | 175.6 | -97.7 | 0 | 0 | 0 | 109 | A67 A118 Y120 | Y65-A67 HydrophobicContact CE1-CB 3.91Å; Y65-A118 WeakPolarHBondContact CE2-O 3.41Å; Y65-Y120 HydrophobicContact CD2-CD1 4.07Å; Y65-Y120 HydrophobicContact CD2-CD2 4.39Å; Y65-Y120 AromaticContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE2 4.26Å; Y65-Y120 HydrophobicContact CD2-CG 4.3Å |
| 66 | D | 92.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 82.6 Ų | 82.6 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | trans | -133.5 | 111.2 | 173.5 | -177.6 | -3.8 | 0 | 0 | 0 | 109.5 | N68 I69 G119 | D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 PolarHBondContact OD1-N 2.87Å; D66-N68 PolarHBondContact OD1-ND2 2.75Å; D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.85Å; D66-I69 WeakPolarHBondContact O-CG1 3.03Å; D66-G119 PolarHBondContact N-O 3.04Å; D66-G119 WeakPolarHBondContact O-CA 3.3Å | ||
| 67 | A | 92.1 | Very high | 91 | Very high | 59 Ų | 59 | 90 Ų | 90 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -67.5 | -23.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y65 I69 A70 | Y65-A67 HydrophobicContact CE1-CB 3.91Å; A67-I69 PolarHBondContact O-N 3.37Å; A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.29Å |
| 68 | N | 92.3 | Very high | 91.6 | Very high | 151 Ų | 151 | 87.1 Ų | 87.1 | 81% | 0.807 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -74.2 | -19.2 | -174.9 | -57.4 | -62.2 | 0 | 0 | 0 | 113 | D66 | D66-N68 PolarHBondContact O-N 2.77Å; D66-N68 WeakPolarHBondContact OD1-CB 3.2Å; D66-N68 PolarHBondContact OD1-N 2.87Å; D66-N68 PolarHBondContact OD1-ND2 2.75Å |
| 69 | I | 93.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 87.3 Ų | 87.3 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -109.6 | 12.1 | 179.4 | 64 | 176 | 0 | 0 | 0 | 112 | D66 A67 W71 V115 V121 | D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 3.85Å; D66-I69 WeakPolarHBondContact O-CG1 3.03Å; A67-I69 PolarHBondContact O-N 3.37Å; I69-W71 WeakPolarHBondContact O-CZ3 3.47Å; I69-V115 HydrophobicContact CD1-CG1 3.79Å; I69-V115 HydrophobicContact CD1-CG2 4.47Å; I69-V115 HydrophobicContact CG1-CG1 4.21Å; I69-V121 HydrophobicContact CD1-CG2 3.46Å; I69-V121 VanDerWaalsContact CD1-CG2 3.46Å |
| 70 | A | 95 | Very high | 92.9 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 35% | 0.347 | 45% | 0.45 | S | S | . | . | trans | -76.3 | 147 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | A67 S117 | A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.29Å; A70-S117 WeakPolarHBondContact CA-O 3.4Å | ||
| 71 | W | 95.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 92.8 Ų | 92.8 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | trans | -139.3 | 154.9 | 175.5 | 67.9 | 93.2 | 0 | 0 | 0 | 111.5 | I69 Y76 V79 V82 V115 W116 S117 | I69-W71 WeakPolarHBondContact O-CZ3 3.47Å; W71-Y76 HydrophobicContact CB-CD2 3.87Å; W71-Y76 HydrophobicContact CB-CE2 3.74Å; W71-Y76 AromaticContact CD1-CD2 3.52Å; W71-Y76 AromaticContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CE2 4.23Å; W71-V79 PolarHBondContact NE1-O 3.13Å; W71-V82 HydrophobicContact CH2-CG1 4.46Å; W71-V82 HydrophobicContact CH2-CG2 3.88Å; W71-V82 HydrophobicContact CZ2-CG1 4.39Å; W71-V82 HydrophobicContact CZ3-CG2 4.4Å; W71-V115 HydrophobicContact CH2-CB 4.48Å; W71-V115 HydrophobicContact CH2-CG1 4.21Å; W71-V115 WeakPolarHBondContact CH2-O 3.29Å; W71-V115 HydrophobicContact CZ3-CB 4.42Å; W71-V115 HydrophobicContact CZ3-CG1 3.74Å; W71-W116 VanDerWaalsContact CH2-C 3.47Å; W71-S117 VanDerWaalsContact CE2-CA 3.44Å; W71-S117 VanDerWaalsContact CE2-CB 3.42Å; W71-S117 VanDerWaalsContact CZ2-CA 3.42Å; W71-S117 PolarHBondContact N-O 2.94Å; W71-S117 VanDerWaalsContact O-O 3.06Å | ||
| 72 | K | 95.7 | Very high | 93.9 | Very high | 140 Ų | 140 | 88.2 Ų | 88.2 | 61% | 0.609 | 45% | 0.445 | S | S | * | . | trans | -79.4 | 136.8 | 172.9 | -69.4 | -177.1 | -178.4 | 176.8 | 0 | 110 | E74 D75 | K72-E74 WeakPolarHBondContact CB-OE2 3.3Å; K72-E74 PolarHBondContact O-N 2.89Å; K72-D75 PolarHBondContact O-N 2.79Å | ||
| 73 | L | 94.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 91.1 Ų | 91.1 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -63 | -34.7 | -177.8 | -69.4 | 179 | 0 | 0 | 0 | 111.6 | D75 Y76 N78 V79 K80 S117 | L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.34Å; L73-Y76 PolarHBondContact O-N 2.71Å; L73-N78 VanDerWaalsContact O-CA 3.31Å; L73-N78 WeakPolarHBondContact O-CA 3.45Å; L73-N78 PolarHBondContact O-N 3.37Å; L73-V79 WeakPolarHBondContact CD2-O 3.45Å; L73-K80 HydrophobicContact CD1-CG 4.41Å; L73-K80 HydrophobicContact CD2-CB 4.37Å; L73-K80 HydrophobicContact CD2-CG 3.81Å; L73-S117 WeakPolarHBondContact CD2-OG 3.14Å |
| 74 | E | 95.1 | Very high | 94.5 | Very high | 148 Ų | 148 | 89 Ų | 89 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -65.1 | -31.2 | -177.7 | -56.7 | 80.7 | -169 | 0 | 0 | 112.5 | K72 Y76 | K72-E74 WeakPolarHBondContact CB-OE2 3.3Å; K72-E74 PolarHBondContact O-N 2.89Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 3Å |
| 75 | D | 95.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 91 Ų | 91 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -77.2 | -17.2 | -176.8 | -63.6 | -21.3 | 0 | 0 | 0 | 112.5 | K72 L73 | K72-D75 PolarHBondContact O-N 2.79Å; L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.34Å |
| 76 | Y | 95 | Very high | 94.5 | Very high | 140 Ų | 140 | 85.3 Ų | 85.3 | 55% | 0.549 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -135.8 | 48.4 | -171.3 | -62.7 | -85.3 | 0 | 0 | 0 | 112.7 | W71 L73 E74 N78 V79 | W71-Y76 HydrophobicContact CB-CD2 3.87Å; W71-Y76 HydrophobicContact CB-CE2 3.74Å; W71-Y76 AromaticContact CD1-CD2 3.52Å; W71-Y76 AromaticContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CD2 3.91Å; W71-Y76 HydrophobicContact CG-CE2 4.23Å; L73-Y76 PolarHBondContact O-N 2.71Å; E74-Y76 VanDerWaalsContact C-N 3.3Å; E74-Y76 PolarHBondContact O-N 3Å; Y76-N78 PolarHBondContact O-N 2.88Å; Y76-V79 WeakPolarHBondContact O-CB 3.44Å; Y76-V79 VanDerWaalsContact O-CG2 3.23Å; Y76-V79 WeakPolarHBondContact O-CG2 3.5Å; Y76-V79 PolarHBondContact O-N 3.4Å |
| 77 | E | 94.7 | Very high | 94.4 | Very high | 186 Ų | 186 | 88.3 Ų | 88.3 | 87% | 0.869 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 33.8 | 174 | -58.8 | -172.7 | 173.7 | 0 | 0 | 114.5 | V79 | E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.82Å |
| 78 | N | 93.6 | Very high | 94.4 | Very high | 105 Ų | 105 | 94.4 Ų | 94.4 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 26.1 | -175.9 | -56.8 | -68.7 | 0 | 0 | 0 | 115.2 | L73 Y76 K80 | L73-N78 VanDerWaalsContact O-CA 3.31Å; L73-N78 WeakPolarHBondContact O-CA 3.45Å; L73-N78 PolarHBondContact O-N 3.37Å; Y76-N78 PolarHBondContact O-N 2.88Å; N78-K80 PolarHBondContact O-N 3Å; N78-K80 VanDerWaalsContact O-N 3.11Å |
| 79 | V | 95.2 | Very high | 94.4 | Very high | 61 Ų | 61 | 89 Ų | 89 | 37% | 0.37 | 45% | 0.445 | S | S | . | . | trans | -64.7 | 111.4 | 171.8 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | W71 L73 Y76 E77 V82 | W71-V79 PolarHBondContact NE1-O 3.13Å; L73-V79 WeakPolarHBondContact CD2-O 3.45Å; Y76-V79 WeakPolarHBondContact O-CB 3.44Å; Y76-V79 VanDerWaalsContact O-CG2 3.23Å; Y76-V79 WeakPolarHBondContact O-CG2 3.5Å; Y76-V79 PolarHBondContact O-N 3.4Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 2.82Å; V79-V82 HydrophobicContact CG1-CG1 3.68Å | ||
| 80 | K | 95.9 | Very high | 94.3 | Very high | 139 Ų | 139 | 91.9 Ų | 91.9 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | trans | -87.7 | -29.6 | -177.3 | -65.6 | -177.5 | -179.2 | 179.6 | 0 | 114.3 | L73 N78 W116 S117 | L73-K80 HydrophobicContact CD1-CG 4.41Å; L73-K80 HydrophobicContact CD2-CB 4.37Å; L73-K80 HydrophobicContact CD2-CG 3.81Å; N78-K80 PolarHBondContact O-N 3Å; N78-K80 VanDerWaalsContact O-N 3.11Å; K80-W116 CarbonylContact O-C 3.47Å; K80-W116 WeakPolarHBondContact O-CA 3.43Å; K80-S117 PolarHBondContact O-N 3.04Å | ||
| 81 | V | 96.5 | Very high | 94 | Very high | 70 Ų | 70 | 91.1 Ų | 91.1 | 42% | 0.424 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138.2 | -173.6 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | K114 V115 W116 | V81-K114 HydrophobicContact CG2-CB 4.38Å; V81-V115 CarbonylContact C-O 3.54Å; V81-V115 VanDerWaalsContact CA-O 3.27Å; V81-V115 WeakPolarHBondContact CA-O 3.34Å; V81-V115 WeakPolarHBondContact CG2-O 3.07Å; V81-W116 HydrophobicContact CG2-CD2 4.24Å; V81-W116 HydrophobicContact CG2-CG 4.44Å |
| 82 | V | 96.4 | Very high | 93.7 | Very high | 54 Ų | 54 | 89.2 Ų | 89.2 | 33% | 0.327 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 153.6 | 172.7 | -62.4 | 0 | 0 | 0 | 0 | 109.4 | W71 V79 V84 K114 V115 | W71-V82 HydrophobicContact CH2-CG1 4.46Å; W71-V82 HydrophobicContact CH2-CG2 3.88Å; W71-V82 HydrophobicContact CZ2-CG1 4.39Å; W71-V82 HydrophobicContact CZ3-CG2 4.4Å; V79-V82 HydrophobicContact CG1-CG1 3.68Å; V82-V84 HydrophobicContact CG2-CG2 4.01Å; V82-K114 WeakPolarHBondContact O-CA 3.31Å; V82-V115 HydrophobicContact CG2-CB 3.99Å; V82-V115 PolarHBondContact N-O 2.79Å; V82-V115 PolarHBondContact O-N 3.22Å |
| 83 | T | 96 | Very high | 93.4 | Very high | 89 Ų | 89 | 87.2 Ų | 87.2 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.8 | 170.8 | -57.7 | 0 | 0 | 0 | 0 | 108.5 | P112 V113 | T83-P112 HydrophobicContact CG2-CB 3.85Å; T83-V113 CarbonylContact C-O 3.53Å; T83-V113 VanDerWaalsContact CA-O 3.31Å; T83-V113 WeakPolarHBondContact CA-O 3.2Å |
| 84 | V | 94.1 | Very high | 93.1 | Very high | 41 Ų | 41 | 85.8 Ų | 85.8 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.3 | -178.7 | -176 | 0 | 0 | 0 | 0 | 108.2 | V82 L89 V113 | V82-V84 HydrophobicContact CG2-CG2 4.01Å; V84-L89 HydrophobicContact CB-CD1 3.67Å; V84-L89 HydrophobicContact CB-CG 4.18Å; V84-L89 HydrophobicContact CG1-CD1 3.88Å; V84-L89 HydrophobicContact CG1-CG 3.81Å; V84-L89 HydrophobicContact CG2-CD1 4.4Å; V84-V113 PolarHBondContact N-O 3.22Å; V84-V113 WeakPolarHBondContact O-CA 3.37Å; V84-V113 WeakPolarHBondContact O-CB 3.22Å; V84-V113 PolarHBondContact O-N 2.98Å |
| 85 | Q | 93.5 | Very high | 92.7 | Very high | 74 Ų | 74 | 81.6 Ų | 81.6 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 139.2 | 175.8 | -56.8 | -62.5 | -22.3 | 0 | 0 | 110.3 | P87 Y88 A110 | Q85-P87 VanDerWaalsContact C-N 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; Q85-P87 VanDerWaalsContact O-N 3.1Å; Q85-Y88 HydrophobicContact CB-CD2 3.91Å; Q85-Y88 HydrophobicContact CB-CE2 4.18Å; Q85-Y88 PolarHBondContact O-N 3.08Å; Q85-A110 PolarHBondContact OE1-O 3.19Å |
| 86 | S | 91.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -48.7 | -32.5 | -179.1 | 41.8 | 0 | 0 | 0 | 0 | 116.4 | Y88 L89 V111 | S86-Y88 PolarHBondContact O-N 3.08Å; S86-L89 PolarHBondContact O-N 2.98Å; S86-V111 PolarHBondContact N-O 3.03Å; S86-V111 PolarHBondContact OG-N 3.13Å; S86-V111 PolarHBondContact OG-O 3.28Å; S86-V111 VanDerWaalsContact OG-O 3.13Å |
| 87 | P | 91 | Very high | 92 | Very high | 91 Ų | 91 | 70.3 Ų | 70.3 | 59% | 0.591 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.2 | 176.5 | -23.8 | 35.7 | 0 | 0 | 0 | 114.7 | Q85 A110 | Q85-P87 VanDerWaalsContact C-N 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.44Å; Q85-P87 VanDerWaalsContact O-N 3.1Å; P87-A110 HydrophobicContact CG-CB 4.39Å |
| 88 | Y | 91.2 | Very high | 91.6 | Very high | 187 Ų | 187 | 61.6 Ų | 61.6 | 73% | 0.733 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -98.5 | 2 | 179.5 | -56.2 | -67.8 | 0 | 0 | 0 | 113.1 | Q85 S86 | Q85-Y88 HydrophobicContact CB-CD2 3.91Å; Q85-Y88 HydrophobicContact CB-CE2 4.18Å; Q85-Y88 PolarHBondContact O-N 3.08Å; S86-Y88 PolarHBondContact O-N 3.08Å |
| 89 | L | 91.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -126.8 | 152.2 | 177.6 | -72.6 | 172.4 | 0 | 0 | 0 | 109.6 | V84 S86 V113 V115 | V84-L89 HydrophobicContact CB-CD1 3.67Å; V84-L89 HydrophobicContact CB-CG 4.18Å; V84-L89 HydrophobicContact CG1-CD1 3.88Å; V84-L89 HydrophobicContact CG1-CG 3.81Å; V84-L89 HydrophobicContact CG2-CD1 4.4Å; S86-L89 PolarHBondContact O-N 2.98Å; L89-V113 HydrophobicContact CD1-CB 3.96Å; L89-V113 HydrophobicContact CD1-CG1 3.79Å; L89-V115 HydrophobicContact CD1-CG2 3.7Å |
| 90 | W | 91.7 | Very high | 90.5 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | trans | -67.5 | 137.1 | 166.4 | 172 | 87.4 | 0 | 0 | 0 | 109.3 | W64 P92 D157 V161 | W64-W90 AromaticContact CD1-CZ3 3.83Å; W64-W90 WeakPolarHBondContact CZ2-O 3.4Å; W64-W90 AromaticContact NE1-CE3 3.88Å; W64-W90 AromaticContact NE1-CZ3 3.64Å; W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 4.49Å; W90-P92 HydrophobicContact CZ2-CB 4.09Å; W90-P92 HydrophobicContact CZ3-CB 4.41Å; W90-D157 WeakPolarHBondContact CZ2-OD1 3.38Å; W90-D157 PolarHBondContact NE1-OD1 3.03Å; W90-V161 HydrophobicContact CH2-CG2 3.66Å; W90-V161 HydrophobicContact CZ2-CG2 3.79Å | ||
| 91 | M | 89.9 | Confident | 89.7 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | trans | -126.3 | 132.6 | 177.3 | -63.4 | -73.6 | -61.6 | 0 | 0 | 107.5 | W64 Q93 Y107 V113 T123 | W64-M91 HydrophobicContact CH2-CE 4.18Å; W64-M91 HydrophobicContact CH2-SD 3.61Å; W64-M91 HydrophobicContact CZ2-SD 4.2Å; M91-Q93 PolarHBondContact O-N 2.04Å; M91-Y107 HydrophobicContact CB-CD2 4.33Å; M91-Y107 HydrophobicContact CB-CE2 4.25Å; M91-Y107 HydrophobicContact CE-CD2 4.02Å; M91-Y107 HydrophobicContact CE-CE2 4.41Å; M91-Y107 HydrophobicContact CE-CG 4.14Å; M91-V113 HydrophobicContact SD-CG2 3.94Å; M91-T123 HydrophobicContact CE-CG2 3.86Å | ||
| 92 | P | 89.4 | Confident | 88.5 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | trans | -63.2 | 130.1 | -177.8 | 24.8 | -33.5 | 0 | 0 | 0 | 110.6 | W90 L94 Y107 | W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 4.49Å; W90-P92 HydrophobicContact CZ2-CB 4.09Å; W90-P92 HydrophobicContact CZ3-CB 4.41Å; P92-L94 HydrophobicContact CB-CD2 4.45Å; P92-L94 PolarHBondContact O-N 2.77Å; P92-Y107 WeakPolarHBondContact O-CE2 3.26Å; P92-Y107 VanDerWaalsContact O-CZ 3.28Å; P92-Y107 PolarHBondContact O-OH 3.27Å | ||
| 93 | Q | 88.6 | Confident | 87.7 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | trans | -79.9 | 106.6 | 174 | -62.4 | -165.7 | -42 | 0 | 0 | 109.3 | M91 P153 T154 D157 | M91-Q93 PolarHBondContact O-N 2.04Å; Q93-P153 CarbonylContact O-C 3.55Å; Q93-P153 WeakPolarHBondContact O-CA 3.29Å; Q93-T154 HydrophobicContact CB-CG2 3.78Å; Q93-T154 PolarHBondContact O-N 2.94Å; Q93-D157 WeakPolarHBondContact CB-OD2 3.38Å; Q93-D157 PolarHBondContact N-OD2 3.22Å | ||
| 94 | L | 88.7 | Confident | 87.1 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.1 | 178.6 | -58.8 | -179.9 | 0 | 0 | 0 | 110.7 | P92 I105 Y107 L163 | P92-L94 HydrophobicContact CB-CD2 4.45Å; P92-L94 PolarHBondContact O-N 2.77Å; L94-I105 HydrophobicContact CB-CB 4.38Å; L94-I105 HydrophobicContact CB-CD1 3.51Å; L94-I105 HydrophobicContact CB-CG1 4.28Å; L94-I105 HydrophobicContact CD1-CD1 4.31Å; L94-I105 WeakPolarHBondContact O-CB 3.28Å; L94-I105 PolarHBondContact O-N 2.99Å; L94-Y107 WeakPolarHBondContact CD1-OH 3.33Å; L94-Y107 VanDerWaalsContact CG-OH 3.29Å; L94-Y107 WeakPolarHBondContact CG-OH 3.48Å; L94-L163 HydrophobicContact CD2-CD1 4.3Å; L94-L163 HydrophobicContact CD2-CD2 3.81Å |
| 95 | R | 87.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145.5 | 179.8 | -178.3 | 173.5 | -84.8 | 175.5 | -4 | 110.5 | S103 L151 A152 T154 | R95-S103 CarbonylContact C-O 3.53Å; R95-S103 VanDerWaalsContact CA-O 3.26Å; R95-S103 WeakPolarHBondContact CA-O 3.21Å; R95-S103 VanDerWaalsContact CD-OG 3.26Å; R95-S103 WeakPolarHBondContact CD-OG 3.46Å; R95-S103 VanDerWaalsContact CG-CB 3.48Å; R95-S103 VanDerWaalsContact CG-OG 3.28Å; R95-S103 WeakPolarHBondContact CG-OG 3.4Å; R95-S103 PolarHBondContact NE-OG 3.42Å; R95-S103 VanDerWaalsContact NE-OG 3.12Å; R95-L151 WeakPolarHBondContact O-CA 2.94Å; R95-A152 PolarHBondContact N-O 2.97Å; R95-A152 PolarHBondContact O-N 2.93Å; R95-T154 HydrophobicContact CB-CG2 4.05Å |
| 96 | I | 88.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.5 | 177.1 | -54.2 | -179.5 | 0 | 0 | 0 | 108.4 | N98 S99 S103 I105 V129 T131 I149 L150 L151 | I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 2.88Å; I96-S99 WeakPolarHBondContact O-CB 3.26Å; I96-S99 PolarHBondContact O-N 2.85Å; I96-S103 PolarHBondContact N-O 2.81Å; I96-S103 WeakPolarHBondContact O-CB 3.26Å; I96-I105 HydrophobicContact CD1-CG1 4.07Å; I96-I105 HydrophobicContact CG1-CD1 4.25Å; I96-I105 HydrophobicContact CG1-CG1 4Å; I96-V129 HydrophobicContact CD1-CB 3.78Å; I96-V129 HydrophobicContact CD1-CG1 3.41Å; I96-V129 VanDerWaalsContact CD1-CG1 3.41Å; I96-V129 HydrophobicContact CD1-CG2 3.37Å; I96-V129 HydrophobicContact CG2-CG1 4.31Å; I96-T131 HydrophobicContact CG2-CG2 3.48Å; I96-T131 VanDerWaalsContact CG2-CG2 3.48Å; I96-I149 HydrophobicContact CG2-CG2 4.11Å; I96-L150 CarbonylContact C-O 3.6Å; I96-L150 VanDerWaalsContact CA-O 3.27Å; I96-L150 WeakPolarHBondContact CA-O 3.47Å; I96-L151 HydrophobicContact CG1-CD2 3.94Å |
| 97 | L | 85.3 | Confident | 85.8 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -37.6 | -171.7 | -59.2 | -177.7 | 0 | 0 | 0 | 112.1 | S99 L150 A152 W210 V224 | L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3Å; L97-L150 HydrophobicContact CB-CB 3.94Å; L97-L150 HydrophobicContact CB-CD1 4.48Å; L97-L150 HydrophobicContact CG-CB 4.42Å; L97-L150 PolarHBondContact N-O 3.05Å; L97-A152 HydrophobicContact CD1-CB 4Å; L97-A152 HydrophobicContact CD2-CB 3.99Å; L97-A152 HydrophobicContact CG-CB 3.99Å; L97-W210 VanDerWaalsContact O-CD2 3.27Å; L97-V224 HydrophobicContact CD1-CG1 4.26Å; L97-V224 HydrophobicContact CD1-CG2 3.52Å |
| 98 | N | 86.1 | Confident | 85.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 32.9 | 179.3 | 70.3 | -45.4 | 0 | 0 | 0 | 114.1 | I96 T131 D132 P148 L150 W210 | I96-N98 VanDerWaalsContact C-N 3.31Å; I96-N98 PolarHBondContact O-N 2.88Å; N98-T131 VanDerWaalsContact O-CA 3.3Å; N98-T131 WeakPolarHBondContact O-CA 3.28Å; N98-T131 WeakPolarHBondContact OD1-CG2 3.48Å; N98-D132 PolarHBondContact ND2-O 2.87Å; N98-D132 PolarHBondContact O-N 2.98Å; N98-P148 PolarHBondContact ND2-O 3.41Å; N98-L150 HydrophobicContact CB-CD1 4.18Å; N98-L150 HydrophobicContact CB-CG 4.36Å; N98-L150 PolarHBondContact OD1-N 2.98Å; N98-W210 HydrophobicContact CB-CH2 3.59Å; N98-W210 HydrophobicContact CB-CZ2 3.58Å; N98-W210 HydrophobicContact CB-CZ3 4.21Å |
| 99 | S | 85.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 141.7 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | I96 L97 N101 D102 S130 | I96-S99 WeakPolarHBondContact O-CB 3.26Å; I96-S99 PolarHBondContact O-N 2.85Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 3Å; S99-N101 WeakPolarHBondContact CB-O 3.38Å; S99-N101 PolarHBondContact OG-N 2.79Å; S99-N101 PolarHBondContact OG-O 2.68Å; S99-D102 PolarHBondContact OG-O 2.95Å; S99-D102 VanDerWaalsContact OG-O 3.08Å; S99-S130 CarbonylContact C-O 3.55Å; S99-S130 VanDerWaalsContact CA-O 3.29Å; S99-S130 WeakPolarHBondContact CA-O 3.27Å; S99-S130 PolarHBondContact OG-O 2.89Å; S99-S130 VanDerWaalsContact OG-O 3.13Å |
| 100 | V | 80.8 | Confident | 84.9 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -82.8 | -24.7 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | K53 S130 D132 | K53-V100 HydrophobicContact CD-CB 4.32Å; K53-V100 HydrophobicContact CD-CG1 3.87Å; K53-V100 HydrophobicContact CG-CB 4.2Å; K53-V100 HydrophobicContact CG-CG1 4.18Å; K53-V100 HydrophobicContact CG-CG2 4.11Å; V100-S130 PolarHBondContact N-O 3.31Å; V100-D132 HydrophobicContact CG2-CB 3.75Å |
| 101 | N | 78.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -117.9 | -162.7 | -179.4 | -78 | 15.3 | 0 | 0 | 0 | 109.5 | K53 S99 S103 | K53-N101 WeakPolarHBondContact CE-OD1 3.46Å; K53-N101 PolarHBondContact NZ-ND2 3.04Å; K53-N101 PolarHBondContact NZ-OD1 2.72Å; S99-N101 WeakPolarHBondContact CB-O 3.38Å; S99-N101 PolarHBondContact OG-N 2.79Å; S99-N101 PolarHBondContact OG-O 2.68Å; N101-S103 PolarHBondContact O-N 2.78Å |
| 102 | D | 72.4 | Confident | 85.1 | Confident | 129 Ų | 129 | 48.9 Ų | 48.9 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | trans | -43.6 | 129.2 | 167.2 | -168.7 | -3.4 | 0 | 0 | 0 | 110.1 | S99 L104 | S99-D102 PolarHBondContact OG-O 2.95Å; S99-D102 VanDerWaalsContact OG-O 3.08Å; D102-L104 PolarHBondContact OD1-N 3.48Å; D102-L104 VanDerWaalsContact OD1-N 3.08Å | ||
| 103 | S | 78.8 | Confident | 85.3 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -94.5 | -14.7 | -171.9 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | R95 I96 N101 | R95-S103 CarbonylContact C-O 3.53Å; R95-S103 VanDerWaalsContact CA-O 3.26Å; R95-S103 WeakPolarHBondContact CA-O 3.21Å; R95-S103 VanDerWaalsContact CD-OG 3.26Å; R95-S103 WeakPolarHBondContact CD-OG 3.46Å; R95-S103 VanDerWaalsContact CG-CB 3.48Å; R95-S103 VanDerWaalsContact CG-OG 3.28Å; R95-S103 WeakPolarHBondContact CG-OG 3.4Å; R95-S103 PolarHBondContact NE-OG 3.42Å; R95-S103 VanDerWaalsContact NE-OG 3.12Å; I96-S103 PolarHBondContact N-O 2.81Å; I96-S103 WeakPolarHBondContact O-CB 3.26Å; N101-S103 PolarHBondContact O-N 2.78Å | ||
| 104 | L | 83.2 | Confident | 85.7 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 130.6 | -179.5 | -166.3 | 71.7 | 0 | 0 | 0 | 111 | D102 S106 T154 | D102-L104 PolarHBondContact OD1-N 3.48Å; D102-L104 VanDerWaalsContact OD1-N 3.08Å; L104-S106 PolarHBondContact O-N 3.34Å; L104-T154 HydrophobicContact CD1-CG2 3.63Å |
| 105 | I | 84.4 | Confident | 86.1 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 120.3 | 174.4 | -69.4 | 171.7 | 0 | 0 | 0 | 109.2 | L94 I96 Y107 V127 L151 | L94-I105 HydrophobicContact CB-CB 4.38Å; L94-I105 HydrophobicContact CB-CD1 3.51Å; L94-I105 HydrophobicContact CB-CG1 4.28Å; L94-I105 HydrophobicContact CD1-CD1 4.31Å; L94-I105 WeakPolarHBondContact O-CB 3.28Å; L94-I105 PolarHBondContact O-N 2.99Å; I96-I105 HydrophobicContact CD1-CG1 4.07Å; I96-I105 HydrophobicContact CG1-CD1 4.25Å; I96-I105 HydrophobicContact CG1-CG1 4Å; I105-Y107 HydrophobicContact CB-CE1 4.41Å; I105-Y107 HydrophobicContact CG2-CD1 3.73Å; I105-Y107 HydrophobicContact CG2-CE1 3.43Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.43Å; I105-Y107 HydrophobicContact CG2-CG 4.48Å; I105-V127 HydrophobicContact CG1-CG1 4.37Å; I105-V127 HydrophobicContact CG2-CB 4.48Å; I105-V127 HydrophobicContact CG2-CG1 3.77Å; I105-V127 HydrophobicContact CG2-CG2 3.86Å; I105-L151 HydrophobicContact CD1-CD2 3.29Å; I105-L151 HydrophobicContact CG1-CD2 4.45Å |
| 106 | S | 84.4 | Confident | 86.5 | Confident | 88 Ų | 88 | 50 Ų | 50 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 118 | 166.3 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | L104 G108 | L104-S106 PolarHBondContact O-N 3.34Å; S106-G108 VanDerWaalsContact C-N 3.29Å |
| 107 | Y | 84.3 | Confident | 86.9 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | trans | -77.9 | -15.7 | 176 | -60.1 | -58.7 | 0 | 0 | 0 | 113 | I62 M91 P92 L94 I105 V111 P125 V127 | I62-Y107 HydrophobicContact CD1-CD1 3.96Å; I62-Y107 HydrophobicContact CD1-CE1 3.33Å; M91-Y107 HydrophobicContact CB-CD2 4.33Å; M91-Y107 HydrophobicContact CB-CE2 4.25Å; M91-Y107 HydrophobicContact CE-CD2 4.02Å; M91-Y107 HydrophobicContact CE-CE2 4.41Å; M91-Y107 HydrophobicContact CE-CG 4.14Å; P92-Y107 WeakPolarHBondContact O-CE2 3.26Å; P92-Y107 VanDerWaalsContact O-CZ 3.28Å; P92-Y107 PolarHBondContact O-OH 3.27Å; L94-Y107 WeakPolarHBondContact CD1-OH 3.33Å; L94-Y107 VanDerWaalsContact CG-OH 3.29Å; L94-Y107 WeakPolarHBondContact CG-OH 3.48Å; I105-Y107 HydrophobicContact CB-CE1 4.41Å; I105-Y107 HydrophobicContact CG2-CD1 3.73Å; I105-Y107 HydrophobicContact CG2-CE1 3.43Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.43Å; I105-Y107 HydrophobicContact CG2-CG 4.48Å; Y107-V111 WeakPolarHBondContact O-CG2 3.32Å; Y107-P125 HydrophobicContact CD1-CB 3.99Å; Y107-P125 HydrophobicContact CD1-CG 3.57Å; Y107-P125 HydrophobicContact CE1-CG 4.36Å; Y107-P125 HydrophobicContact CG-CB 4.41Å; Y107-P125 HydrophobicContact CG-CG 4.35Å; Y107-P125 WeakPolarHBondContact O-CB 3.17Å; Y107-V127 HydrophobicContact CD1-CG2 4.42Å | ||
| 108 | G | 83 | Confident | 87.4 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | trans | 98.2 | 171.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S106 | S106-G108 VanDerWaalsContact C-N 3.29Š| ||
| 109 | V | 83.5 | Confident | 87.8 | Confident | 144 Ų | 144 | 52.7 Ų | 52.7 | 87% | 0.873 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -89.5 | 127.1 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | V111 | V109-V111 PolarHBondContact O-N 2.89Š|
| 110 | A | 88 | Confident | 88.2 | Confident | 45 Ų | 45 | 58 Ų | 58 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 52.7 | 51.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q85 P87 | Q85-A110 PolarHBondContact OE1-O 3.19Å; P87-A110 HydrophobicContact CG-CB 4.39Å |
| 111 | V | 90.8 | Very high | 88.9 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | trans | -68.4 | 134.2 | 169.8 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | S86 Y107 V109 T123 P125 | S86-V111 PolarHBondContact N-O 3.03Å; S86-V111 PolarHBondContact OG-N 3.13Å; S86-V111 PolarHBondContact OG-O 3.28Å; S86-V111 VanDerWaalsContact OG-O 3.13Å; Y107-V111 WeakPolarHBondContact O-CG2 3.32Å; V109-V111 PolarHBondContact O-N 2.89Å; V111-T123 WeakPolarHBondContact CG1-OG1 3.05Å; V111-P125 HydrophobicContact CG1-CB 4.24Å; V111-P125 HydrophobicContact CG2-CB 4.26Å | ||
| 112 | P | 93.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.6 | 172.7 | 28.4 | -34.3 | 0 | 0 | 0 | 110.9 | T83 T123 | T83-P112 HydrophobicContact CG2-CB 3.85Å; P112-T123 PolarHBondContact O-OG1 3.04Å |
| 113 | V | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.8 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 108 | W64 T83 V84 L89 M91 V115 V121 | W64-V113 HydrophobicContact CH2-CG1 4.18Å; T83-V113 CarbonylContact C-O 3.53Å; T83-V113 VanDerWaalsContact CA-O 3.31Å; T83-V113 WeakPolarHBondContact CA-O 3.2Å; V84-V113 PolarHBondContact N-O 3.22Å; V84-V113 WeakPolarHBondContact O-CA 3.37Å; V84-V113 WeakPolarHBondContact O-CB 3.22Å; V84-V113 PolarHBondContact O-N 2.98Å; L89-V113 HydrophobicContact CD1-CB 3.96Å; L89-V113 HydrophobicContact CD1-CG1 3.79Å; M91-V113 HydrophobicContact SD-CG2 3.94Å; V113-V115 HydrophobicContact CG1-CG2 4.37Å; V113-V121 HydrophobicContact CG1-CG1 3.12Å |
| 114 | K | 96.4 | Very high | 91.2 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.9 | 174.2 | -67.4 | -177.9 | 179.9 | 179 | 0 | 108.9 | V81 V82 W116 V121 Y122 | V81-K114 HydrophobicContact CG2-CB 4.38Å; V82-K114 WeakPolarHBondContact O-CA 3.31Å; K114-W116 HydrophobicContact CB-CE3 4.35Å; K114-W116 HydrophobicContact CB-CH2 3.69Å; K114-W116 HydrophobicContact CB-CZ2 4.49Å; K114-W116 HydrophobicContact CB-CZ3 3.6Å; K114-W116 HydrophobicContact CD-CH2 4.16Å; K114-W116 WeakPolarHBondContact O-CZ3 3.24Å; K114-V121 CarbonylContact O-C 3.51Å; K114-V121 WeakPolarHBondContact O-CA 3.37Å; K114-Y122 HydrophobicContact CD-CD1 4.37Å; K114-Y122 PolarHBondContact N-O 3.04Å; K114-Y122 PolarHBondContact O-N 3.16Å |
| 115 | V | 96.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.8 | 175.7 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | I69 W71 V81 V82 L89 V113 Y120 V121 | I69-V115 HydrophobicContact CD1-CG1 3.79Å; I69-V115 HydrophobicContact CD1-CG2 4.47Å; I69-V115 HydrophobicContact CG1-CG1 4.21Å; W71-V115 HydrophobicContact CH2-CB 4.48Å; W71-V115 HydrophobicContact CH2-CG1 4.21Å; W71-V115 WeakPolarHBondContact CH2-O 3.29Å; W71-V115 HydrophobicContact CZ3-CB 4.42Å; W71-V115 HydrophobicContact CZ3-CG1 3.74Å; V81-V115 CarbonylContact C-O 3.54Å; V81-V115 VanDerWaalsContact CA-O 3.27Å; V81-V115 WeakPolarHBondContact CA-O 3.34Å; V81-V115 WeakPolarHBondContact CG2-O 3.07Å; V82-V115 HydrophobicContact CG2-CB 3.99Å; V82-V115 PolarHBondContact N-O 2.79Å; V82-V115 PolarHBondContact O-N 3.22Å; L89-V115 HydrophobicContact CD1-CG2 3.7Å; V113-V115 HydrophobicContact CG1-CG2 4.37Å; V115-Y120 WeakPolarHBondContact CA-O 3.29Å; V115-V121 HydrophobicContact CG1-CG2 4.37Å; V115-V121 HydrophobicContact CG2-CG1 4.21Å; V115-V121 HydrophobicContact CG2-CG2 4.47Å |
| 116 | W | 97.1 | Very high | 91.6 | Very high | 102 Ų | 102 | 50 Ų | 50 | 39% | 0.386 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 151.6 | 174.1 | -73.5 | -105.4 | 0 | 0 | 0 | 110 | W71 K80 V81 K114 A118 G119 Y120 Y122 | W71-W116 VanDerWaalsContact CH2-C 3.47Å; K80-W116 CarbonylContact O-C 3.47Å; K80-W116 WeakPolarHBondContact O-CA 3.43Å; V81-W116 HydrophobicContact CG2-CD2 4.24Å; V81-W116 HydrophobicContact CG2-CG 4.44Å; K114-W116 HydrophobicContact CB-CE3 4.35Å; K114-W116 HydrophobicContact CB-CH2 3.69Å; K114-W116 HydrophobicContact CB-CZ2 4.49Å; K114-W116 HydrophobicContact CB-CZ3 3.6Å; K114-W116 HydrophobicContact CD-CH2 4.16Å; K114-W116 WeakPolarHBondContact O-CZ3 3.24Å; W116-A118 PolarHBondContact O-N 3.13Å; W116-G119 PolarHBondContact O-N 2.97Å; W116-Y120 PolarHBondContact N-O 3.22Å; W116-Y122 VanDerWaalsContact CH2-CB 3.47Å; W116-Y122 HydrophobicContact CH2-CG 4.14Å; W116-Y122 HydrophobicContact CZ3-CG 4.41Å |
| 117 | S | 96.2 | Very high | 91.7 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.4 | -178 | 66 | 0 | 0 | 0 | 0 | 113.9 | A70 W71 L73 K80 G119 | A70-S117 WeakPolarHBondContact CA-O 3.4Å; W71-S117 VanDerWaalsContact CE2-CA 3.44Å; W71-S117 VanDerWaalsContact CE2-CB 3.42Å; W71-S117 VanDerWaalsContact CZ2-CA 3.42Å; W71-S117 PolarHBondContact N-O 2.94Å; W71-S117 VanDerWaalsContact O-O 3.06Å; L73-S117 WeakPolarHBondContact CD2-OG 3.14Å; K80-S117 PolarHBondContact O-N 3.04Å; S117-G119 PolarHBondContact O-N 3.48Å |
| 118 | A | 95.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 44% | 0.438 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y65 W116 Y120 | Y65-A118 WeakPolarHBondContact CE2-O 3.41Å; W116-A118 PolarHBondContact O-N 3.13Å; A118-Y120 HydrophobicContact CB-CD2 3.9Å; A118-Y120 HydrophobicContact CB-CE2 4.17Å |
| 119 | G | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 97.6 | 2.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D66 W116 S117 | D66-G119 PolarHBondContact N-O 3.04Å; D66-G119 WeakPolarHBondContact O-CA 3.3Å; W116-G119 PolarHBondContact O-N 2.97Å; S117-G119 PolarHBondContact O-N 3.48Å |
| 120 | Y | 95.1 | Very high | 91.9 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 49% | 0.49 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 141 | 172.6 | -68.8 | -78.7 | 0 | 0 | 0 | 110.6 | Y65 V115 W116 A118 | Y65-Y120 HydrophobicContact CD2-CD1 4.07Å; Y65-Y120 HydrophobicContact CD2-CD2 4.39Å; Y65-Y120 AromaticContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE1 3.93Å; Y65-Y120 HydrophobicContact CD2-CE2 4.26Å; Y65-Y120 HydrophobicContact CD2-CG 4.3Å; V115-Y120 WeakPolarHBondContact CA-O 3.29Å; W116-Y120 PolarHBondContact N-O 3.22Å; A118-Y120 HydrophobicContact CB-CD2 3.9Å; A118-Y120 HydrophobicContact CB-CE2 4.17Å |
| 121 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.2 | 179.4 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | V63 W64 I69 V113 K114 V115 | V63-V121 VanDerWaalsContact CA-O 3.29Å; V63-V121 WeakPolarHBondContact CA-O 3.31Å; W64-V121 HydrophobicContact CD2-CB 3.71Å; W64-V121 HydrophobicContact CD2-CG1 4.18Å; W64-V121 HydrophobicContact CD2-CG2 4.34Å; W64-V121 VanDerWaalsContact CE2-CB 3.49Å; W64-V121 HydrophobicContact CE3-CB 4Å; W64-V121 HydrophobicContact CE3-CG1 4.18Å; W64-V121 HydrophobicContact CG-CB 4.32Å; W64-V121 HydrophobicContact CH2-CB 3.95Å; W64-V121 HydrophobicContact CH2-CG1 3.28Å; W64-V121 HydrophobicContact CZ2-CB 3.65Å; W64-V121 HydrophobicContact CZ2-CG1 3.26Å; W64-V121 HydrophobicContact CZ2-CG2 4.07Å; W64-V121 HydrophobicContact CZ3-CB 4.11Å; W64-V121 HydrophobicContact CZ3-CG1 3.75Å; W64-V121 PolarHBondContact N-O 2.83Å; W64-V121 VanDerWaalsContact N-O 3.12Å; W64-V121 PolarHBondContact O-N 3.17Å; I69-V121 HydrophobicContact CD1-CG2 3.46Å; I69-V121 VanDerWaalsContact CD1-CG2 3.46Å; V113-V121 HydrophobicContact CG1-CG1 3.12Å; K114-V121 CarbonylContact O-C 3.51Å; K114-V121 WeakPolarHBondContact O-CA 3.37Å; V115-V121 HydrophobicContact CG1-CG2 4.37Å; V115-V121 HydrophobicContact CG2-CG1 4.21Å; V115-V121 HydrophobicContact CG2-CG2 4.47Å |
| 122 | Y | 94.1 | Very high | 91.4 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.3 | 177.4 | 171.1 | -89 | 0 | 0 | 0 | 110 | E61 I62 V63 K114 W116 | E61-Y122 HydrophobicContact CB-CE2 4.29Å; E61-Y122 HydrophobicContact CG-CE2 4.32Å; I62-Y122 WeakPolarHBondContact O-CA 3.42Å; V63-Y122 HydrophobicContact CG2-CD2 3.8Å; K114-Y122 HydrophobicContact CD-CD1 4.37Å; K114-Y122 PolarHBondContact N-O 3.04Å; K114-Y122 PolarHBondContact O-N 3.16Å; W116-Y122 VanDerWaalsContact CH2-CB 3.47Å; W116-Y122 HydrophobicContact CH2-CG 4.14Å; W116-Y122 HydrophobicContact CZ3-CG 4.41Å |
| 123 | T | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.5 | 170.1 | -170.4 | 0 | 0 | 0 | 0 | 109.9 | I62 W64 M91 V111 P112 P125 | I62-T123 HydrophobicContact CB-CG2 3.93Å; I62-T123 PolarHBondContact N-O 3.12Å; I62-T123 PolarHBondContact O-N 2.99Å; W64-T123 HydrophobicContact CH2-CG2 4.23Å; W64-T123 HydrophobicContact CZ3-CG2 3.72Å; M91-T123 HydrophobicContact CE-CG2 3.86Å; V111-T123 WeakPolarHBondContact CG1-OG1 3.05Å; P112-T123 PolarHBondContact O-OG1 3.04Å; T123-P125 HydrophobicContact CG2-CG 4.4Å |
| 124 | S | 91 | Very high | 90.4 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | trans | -127.8 | 63.6 | 178.8 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | A60 | A60-S124 CarbonylContact O-C 3.55Å; A60-S124 VanDerWaalsContact O-CA 3.24Å; A60-S124 WeakPolarHBondContact O-CA 3.1Å | ||
| 125 | P | 90.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -67.8 | 154.2 | -178.9 | 27.2 | -36.4 | 0 | 0 | 0 | 111.8 | I59 A60 I62 Y107 V111 T123 V127 | I59-P125 WeakPolarHBondContact CA-O 3.39Å; A60-P125 PolarHBondContact N-O 2.9Å; A60-P125 VanDerWaalsContact O-CD 3.22Å; A60-P125 WeakPolarHBondContact O-CD 3.41Å; I62-P125 HydrophobicContact CD1-CG 3.89Å; Y107-P125 HydrophobicContact CD1-CB 3.99Å; Y107-P125 HydrophobicContact CD1-CG 3.57Å; Y107-P125 HydrophobicContact CE1-CG 4.36Å; Y107-P125 HydrophobicContact CG-CB 4.41Å; Y107-P125 HydrophobicContact CG-CG 4.35Å; Y107-P125 WeakPolarHBondContact O-CB 3.17Å; V111-P125 HydrophobicContact CG1-CB 4.24Å; V111-P125 HydrophobicContact CG2-CB 4.26Å; T123-P125 HydrophobicContact CG2-CG 4.4Å; P125-V127 HydrophobicContact CB-CG2 4.41Å; P125-V127 HydrophobicContact CG-CG2 4.21Å | ||
| 126 | E | 87.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.5 | 166.6 | -176.5 | 170.8 | -142.8 | 0 | 0 | 109.4 | R57 H58 | R57-E126 HydrophobicContact CG-CG 4.2Å; R57-E126 IonicContact CZ-OE1 3.34Å; R57-E126 IonicContact CZ-OE2 2.71Å; R57-E126 IonicContact NE-OE1 3.9Å; R57-E126 PolarHBondContact NE-OE1 2.99Å; R57-E126 IonicContact NE-OE2 2.72Å; R57-E126 IonicContact NH2-OE1 3.12Å; R57-E126 PolarHBondContact NH2-OE1 3.17Å; R57-E126 IonicContact NH2-OE2 2.68Å; R57-E126 PolarHBondContact NH2-OE2 3.39Å; H58-E126 CarbonylContact O-C 3.54Å; H58-E126 WeakPolarHBondContact O-CA 3.4Å |
| 127 | V | 85.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133 | -176.4 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | H58 A60 I105 Y107 P125 V129 | H58-V127 PolarHBondContact N-O 2.66Å; H58-V127 PolarHBondContact ND1-O 2.93Å; H58-V127 PolarHBondContact O-N 2.89Å; A60-V127 HydrophobicContact CB-CB 4.42Å; A60-V127 HydrophobicContact CB-CG2 3.9Å; I105-V127 HydrophobicContact CG1-CG1 4.37Å; I105-V127 HydrophobicContact CG2-CB 4.48Å; I105-V127 HydrophobicContact CG2-CG1 3.77Å; I105-V127 HydrophobicContact CG2-CG2 3.86Å; Y107-V127 HydrophobicContact CD1-CG2 4.42Å; P125-V127 HydrophobicContact CB-CG2 4.41Å; P125-V127 HydrophobicContact CG-CG2 4.21Å; V127-V129 HydrophobicContact CG1-CG2 3.86Å |
| 128 | M | 83.6 | Confident | 86.9 | Confident | 120 Ų | 120 | 38.7 Ų | 38.7 | 59% | 0.591 | 21% | 0.205 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126 | 170.9 | -178.4 | 174.8 | -89.9 | 0 | 0 | 109.9 | V56 R57 | V56-M128 CarbonylContact O-C 3.52Å; V56-M128 WeakPolarHBondContact O-CA 3.41Å; R57-M128 HydrophobicContact CB-CE 4.49Å |
| 129 | V | 84.7 | Confident | 86.3 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.6 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 109 | H55 V56 I96 V127 T131 I149 | H55-V129 CarbonylContact C-O 3.56Å; H55-V129 WeakPolarHBondContact CA-O 3.02Å; V56-V129 HydrophobicContact CB-CB 4.49Å; V56-V129 PolarHBondContact N-O 2.82Å; V56-V129 PolarHBondContact O-N 2.83Å; I96-V129 HydrophobicContact CD1-CB 3.78Å; I96-V129 HydrophobicContact CD1-CG1 3.41Å; I96-V129 VanDerWaalsContact CD1-CG1 3.41Å; I96-V129 HydrophobicContact CD1-CG2 3.37Å; I96-V129 HydrophobicContact CG2-CG1 4.31Å; V127-V129 HydrophobicContact CG1-CG2 3.86Å; V129-T131 HydrophobicContact CG1-CG2 3.57Å; V129-I149 HydrophobicContact CG1-CD1 4.35Å; V129-I149 HydrophobicContact CG1-CG1 4.49Å; V129-I149 HydrophobicContact CG1-CG2 4.07Å |
| 130 | S | 85.7 | Confident | 85.7 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 91.2 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | M54 H55 S99 V100 | M54-S130 CarbonylContact O-C 3.4Å; M54-S130 VanDerWaalsContact O-CA 3.22Å; M54-S130 WeakPolarHBondContact O-CA 3.24Å; H55-S130 PolarHBondContact CE1-OG 3.46Å; H55-S130 VanDerWaalsContact CE1-OG 3.26Å; H55-S130 PolarHBondContact ND1-OG 3.25Å; S99-S130 CarbonylContact C-O 3.55Å; S99-S130 VanDerWaalsContact CA-O 3.29Å; S99-S130 WeakPolarHBondContact CA-O 3.27Å; S99-S130 PolarHBondContact OG-O 2.89Å; S99-S130 VanDerWaalsContact OG-O 3.13Å; V100-S130 PolarHBondContact N-O 3.31Å |
| 131 | T | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 155.1 | -175.5 | 45.5 | 0 | 0 | 0 | 0 | 112.8 | M54 I96 N98 V129 I149 | M54-T131 WeakPolarHBondContact CE-OG1 3.42Å; M54-T131 PolarHBondContact N-O 2.97Å; M54-T131 PolarHBondContact O-N 2.94Å; I96-T131 HydrophobicContact CG2-CG2 3.48Å; I96-T131 VanDerWaalsContact CG2-CG2 3.48Å; N98-T131 VanDerWaalsContact O-CA 3.3Å; N98-T131 WeakPolarHBondContact O-CA 3.28Å; N98-T131 WeakPolarHBondContact OD1-CG2 3.48Å; V129-T131 HydrophobicContact CG1-CG2 3.57Å; T131-I149 HydrophobicContact CG2-CG1 4.3Å; T131-I149 HydrophobicContact CG2-CG2 4.36Å |
| 132 | D | 82.3 | Confident | 84.9 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.9 | 167.6 | -170.5 | 7.4 | 0 | 0 | 0 | 109.9 | S51 N98 V100 | S51-D132 WeakPolarHBondContact CA-OD1 3.39Å; S51-D132 WeakPolarHBondContact CB-OD1 3.48Å; S51-D132 WeakPolarHBondContact CB-OD2 3.37Å; S51-D132 PolarHBondContact OG-OD1 3.28Å; S51-D132 PolarHBondContact OG-OD2 2.93Å; N98-D132 PolarHBondContact ND2-O 2.87Å; N98-D132 PolarHBondContact O-N 2.98Å; V100-D132 HydrophobicContact CG2-CB 3.75Å |
| 133 | C | 86.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.8 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | M52 M135 C147 | M52-C133 PolarHBondContact N-O 3.26Å; M52-C133 PolarHBondContact O-N 2.83Å; C133-M135 PolarHBondContact O-N 3.21Å; C133-C147 HydrophobicContact CB-CB 3.74Å; C133-C147 WeakPolarHBondContact CB-SG 3.16Å; C133-C147 WeakPolarHBondContact SG-CA 2.86Å; C133-C147 WeakPolarHBondContact SG-CB 3.42Å; C133-C147 CovalentContact SG-SG 2.04Å; C133-C147 PolarHBondContact SG-SG 2.84Å |
| 134 | S | 80.8 | Confident | 84.5 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 120.7 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 135 | M | 78.4 | Confident | 84.4 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 15% | 0.148 | 21% | 0.211 | C | C | . | . | trans | -112.5 | 139.3 | -179.7 | -67.1 | -157.7 | -171.7 | 0 | 0 | 111.5 | M52 C133 H145 W191 | M52-M135 HydrophobicContact CB-CE 3.89Å; M52-M135 HydrophobicContact CB-CG 4.29Å; M52-M135 HydrophobicContact CB-SD 4.27Å; M52-M135 HydrophobicContact CE-CE 3.63Å; M52-M135 HydrophobicContact CE-SD 3.77Å; M52-M135 HydrophobicContact CG-CE 4.36Å; M52-M135 HydrophobicContact CG-CG 4.37Å; M52-M135 HydrophobicContact CG-SD 4.16Å; M52-M135 HydrophobicContact SD-CB 4.44Å; M52-M135 HydrophobicContact SD-CE 3.75Å; M52-M135 HydrophobicContact SD-CG 4.04Å; M52-M135 HydrophobicContact SD-SD 3.17Å; C133-M135 PolarHBondContact O-N 3.21Å; M135-H145 WeakPolarHBondContact CA-ND1 3.4Å; M135-H145 HydrophobicContact CG-CB 4.24Å; M135-H145 VanDerWaalsContact SD-CD2 3.57Å; M135-W191 HydrophobicContact CE-CH2 4.5Å; M135-W191 HydrophobicContact SD-CH2 3.96Å; M135-W191 HydrophobicContact SD-CZ2 4.29Å | ||
| 136 | E | 77.1 | Confident | 84.4 | Confident | 111 Ų | 111 | 42.3 Ų | 42.3 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | trans | -112.2 | 98.8 | 175.4 | -165.3 | -166.7 | 148 | 0 | 0 | 110.7 | S138 H145 | E136-S138 PolarHBondContact O-N 2.62Å; E136-S138 WeakPolarHBondContact OE1-CB 3.46Å; E136-S138 PolarHBondContact OE1-OG 3.05Å; E136-H145 PolarHBondContact N-CE1 3.32Å; E136-H145 VanDerWaalsContact N-CE1 3.31Å; E136-H145 PolarHBondContact N-ND1 3.17Å; E136-H145 PolarHBondContact O-CE1 2.72Å | ||
| 137 | A | 78.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -84.7 | 21.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S139 Y140 P289 A291 | A137-S139 PolarHBondContact O-N 2.86Å; A137-Y140 VanDerWaalsContact O-CB 3.28Å; A137-Y140 WeakPolarHBondContact O-CB 3.07Å; A137-Y140 PolarHBondContact O-N 2.73Å; A137-Y140 VanDerWaalsContact O-N 3.07Å; A137-P289 HydrophobicContact CB-CB 4.31Å; A137-P289 HydrophobicContact CB-CG 3.48Å; A137-P289 VanDerWaalsContact CB-CG 3.48Å; A137-A291 HydrophobicContact CB-CB 3.99Å |
| 138 | S | 78.3 | Confident | 84.8 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 12% | 0.119 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -57.4 | -35.1 | -179.5 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | E136 R297 | E136-S138 PolarHBondContact O-N 2.62Å; E136-S138 WeakPolarHBondContact OE1-CB 3.46Å; E136-S138 PolarHBondContact OE1-OG 3.05Å; S138-R297 WeakPolarHBondContact O-CG 3.43Å; S138-R297 PolarHBondContact O-N 3.35Å |
| 139 | S | 83.5 | Confident | 85.1 | Confident | 50 Ų | 50 | 34.2 Ų | 34.2 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -98.9 | 16.6 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | A137 T142 D143 | A137-S139 PolarHBondContact O-N 2.86Å; S139-T142 CarbonylContact O-C 3.51Å; S139-T142 PolarHBondContact O-N 2.76Å; S139-T142 PolarHBondContact O-OG1 3.33Å; S139-D143 PolarHBondContact O-N 2.82Å |
| 140 | Y | 81.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 135 | 173.7 | 179.2 | -87.2 | 0 | 0 | 0 | 110.6 | A137 I235 F238 M288 P289 I298 | A137-Y140 VanDerWaalsContact O-CB 3.28Å; A137-Y140 WeakPolarHBondContact O-CB 3.07Å; A137-Y140 PolarHBondContact O-N 2.73Å; A137-Y140 VanDerWaalsContact O-N 3.07Å; Y140-I235 HydrophobicContact CE2-CD1 4.17Å; Y140-F238 HydrophobicContact CE1-CD2 4.41Å; Y140-F238 AromaticContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CZ 4.08Å; Y140-M288 HydrophobicContact CE1-CG 4.19Å; Y140-P289 HydrophobicContact CD2-CG 4.08Å; Y140-I298 HydrophobicContact CD1-CG2 3.99Å |
| 141 | P | 86.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 14% | 0.143 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -96.6 | 12.6 | 13 | 40.7 | -41.8 | 0 | 0 | 0 | 115.6 | I235 F238 | P141-I235 HydrophobicContact CB-CD1 4.3Å; P141-F238 HydrophobicContact CB-CD1 4.25Å; P141-F238 HydrophobicContact CB-CD2 3.94Å; P141-F238 HydrophobicContact CB-CE1 4.45Å; P141-F238 HydrophobicContact CB-CE2 4.18Å; P141-F238 HydrophobicContact CB-CG 3.97Å; P141-F238 HydrophobicContact CB-CZ 4.41Å; P141-F238 HydrophobicContact CG-CB 4.38Å; P141-F238 HydrophobicContact CG-CD1 3.57Å; P141-F238 HydrophobicContact CG-CD2 4.18Å; P141-F238 HydrophobicContact CG-CE1 3.77Å; P141-F238 HydrophobicContact CG-CE2 4.37Å; P141-F238 HydrophobicContact CG-CG 3.77Å; P141-F238 HydrophobicContact CG-CZ 4.17Å |
| 142 | T | 86.9 | Confident | 85.5 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 62% | 0.62 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -116.6 | 35.1 | -177.3 | 56 | 0 | 0 | 0 | 0 | 111.6 | S139 | S139-T142 CarbonylContact O-C 3.51Å; S139-T142 PolarHBondContact O-N 2.76Å; S139-T142 PolarHBondContact O-OG1 3.33Å |
| 143 | D | 87.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | trans | -70 | 145.8 | 178 | 47 | -47.8 | 0 | 0 | 0 | 112.2 | S139 H145 R233 | S139-D143 PolarHBondContact O-N 2.82Å; D143-H145 IonicContact OD2-CD2 3.45Å; D143-H145 IonicContact OD2-CE1 3.65Å; D143-H145 IonicContact OD2-NE2 2.79Å; D143-H145 PolarHBondContact OD2-NE2 3.23Å; D143-R233 VanDerWaalsContact CG-NE 3.29Å; D143-R233 PolarHBondContact O-N 3.49Å; D143-R233 VanDerWaalsContact OD1-CB 3.24Å; D143-R233 WeakPolarHBondContact OD1-CB 3.33Å; D143-R233 WeakPolarHBondContact OD1-CD 3.46Å; D143-R233 IonicContact OD1-CZ 3.15Å; D143-R233 IonicContact OD1-NE 3.55Å; D143-R233 PolarHBondContact OD1-NE 2.97Å; D143-R233 IonicContact OD2-CZ 3.89Å; D143-R233 IonicContact OD2-NE 2.78Å; D143-R233 PolarHBondContact OD2-NE 2.86Å; D143-R233 IonicContact OD2-NH2 3.82Å; D143-R233 PolarHBondContact OD2-NH2 3.41Å | ||
| 144 | E | 90.5 | Very high | 85.6 | Confident | 87 Ų | 87 | 34.6 Ų | 34.6 | 41% | 0.407 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139 | 173.5 | -65.8 | -171.3 | -172.9 | 0 | 0 | 109.7 | F231 R232 | E144-F231 CarbonylContact C-O 3.46Å; E144-F231 VanDerWaalsContact CA-O 3.24Å; E144-F231 WeakPolarHBondContact CA-O 3.22Å; E144-R232 HydrophobicContact CG-CB 4Å; E144-R232 HydrophobicContact CG-CG 4.01Å; E144-R232 IonicContact OE1-CZ 2.61Å; E144-R232 IonicContact OE1-NE 3.65Å; E144-R232 PolarHBondContact OE1-NE 3.39Å; E144-R232 IonicContact OE1-NH2 2.81Å; E144-R232 PolarHBondContact OE1-NH2 3.47Å |
| 145 | H | 88.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.8 | -178.4 | -53 | -69.4 | 0 | 0 | 0 | 111 | M135 E136 D143 W191 R230 F231 | M135-H145 WeakPolarHBondContact CA-ND1 3.4Å; M135-H145 HydrophobicContact CG-CB 4.24Å; M135-H145 VanDerWaalsContact SD-CD2 3.57Å; E136-H145 PolarHBondContact N-CE1 3.32Å; E136-H145 VanDerWaalsContact N-CE1 3.31Å; E136-H145 PolarHBondContact N-ND1 3.17Å; E136-H145 PolarHBondContact O-CE1 2.72Å; D143-H145 IonicContact OD2-CD2 3.45Å; D143-H145 IonicContact OD2-CE1 3.65Å; D143-H145 IonicContact OD2-NE2 2.79Å; D143-H145 PolarHBondContact OD2-NE2 3.23Å; H145-W191 AromaticContact CD2-CH2 3.53Å; H145-W191 AromaticContact CD2-CZ3 3.61Å; H145-W191 AromaticContact NE2-CH2 3.83Å; H145-R230 WeakPolarHBondContact O-CA 3.41Å; H145-F231 PolarHBondContact N-O 2.87Å; H145-F231 PolarHBondContact O-N 2.67Å |
| 146 | D | 91.1 | Very high | 85.6 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 41% | 0.412 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 106.4 | 171.9 | -78.5 | -18.8 | 0 | 0 | 0 | 109.1 | P148 T228 R230 | D146-P148 WeakPolarHBondContact O-CD 3.17Å; D146-T228 HydrophobicContact CB-CG2 3.78Å; D146-R230 WeakPolarHBondContact OD1-CB 3.38Å; D146-R230 VanDerWaalsContact OD1-CG 3.32Å; D146-R230 WeakPolarHBondContact OD1-CG 3.33Å; D146-R230 IonicContact OD1-CZ 2.93Å; D146-R230 IonicContact OD1-NE 2.97Å; D146-R230 PolarHBondContact OD1-NE 3.01Å; D146-R230 IonicContact OD1-NH2 3.41Å; D146-R230 PolarHBondContact OD1-NH2 3.36Å; D146-R230 IonicContact OD2-CZ 3.53Å; D146-R230 IonicContact OD2-NE 2.87Å; D146-R230 IonicContact OD2-NH2 3.96Å; D146-R230 PolarHBondContact OD2-NH2 2.82Å |
| 147 | C | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 107.5 | 179.6 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | M54 C133 V229 F231 | M54-C147 HydrophobicContact CE-CB 3.94Å; M54-C147 HydrophobicContact SD-CB 4.06Å; C133-C147 HydrophobicContact CB-CB 3.74Å; C133-C147 WeakPolarHBondContact CB-SG 3.16Å; C133-C147 WeakPolarHBondContact SG-CA 2.86Å; C133-C147 WeakPolarHBondContact SG-CB 3.42Å; C133-C147 CovalentContact SG-SG 2.04Å; C133-C147 PolarHBondContact SG-SG 2.84Å; C147-V229 PolarHBondContact N-O 2.96Å; C147-V229 PolarHBondContact O-N 3.23Å; C147-F231 HydrophobicContact CB-CD2 4.25Å; C147-F231 HydrophobicContact CB-CE2 4.04Å |
| 148 | P | 90.9 | Very high | 85.8 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 149.7 | 177.3 | 32.1 | -34.2 | 0 | 0 | 0 | 111.6 | N98 D146 L150 K226 V227 | N98-P148 PolarHBondContact ND2-O 3.41Å; D146-P148 WeakPolarHBondContact O-CD 3.17Å; P148-L150 HydrophobicContact CB-CD2 4.17Å; P148-K226 HydrophobicContact CB-CG 4.21Å; P148-V227 CarbonylContact C-O 3.57Å |
| 149 | I | 89.8 | Confident | 85.7 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.6 | 165 | -57.2 | 173.2 | 0 | 0 | 0 | 105.6 | M54 I96 V129 T131 L151 V227 | M54-I149 HydrophobicContact CE-CD1 4.26Å; M54-I149 HydrophobicContact CE-CG1 4.15Å; I96-I149 HydrophobicContact CG2-CG2 4.11Å; V129-I149 HydrophobicContact CG1-CD1 4.35Å; V129-I149 HydrophobicContact CG1-CG1 4.49Å; V129-I149 HydrophobicContact CG1-CG2 4.07Å; T131-I149 HydrophobicContact CG2-CG1 4.3Å; T131-I149 HydrophobicContact CG2-CG2 4.36Å; I149-L151 HydrophobicContact CG2-CG 4.32Å; I149-V227 HydrophobicContact CB-CB 4.49Å; I149-V227 PolarHBondContact N-O 2.87Å; I149-V227 PolarHBondContact O-N 3.48Å |
| 150 | L | 89.6 | Confident | 85.5 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 98.9 | -173.6 | -60 | -174.3 | 0 | 0 | 0 | 110 | I96 L97 N98 P148 Y203 V224 K226 | I96-L150 CarbonylContact C-O 3.6Å; I96-L150 VanDerWaalsContact CA-O 3.27Å; I96-L150 WeakPolarHBondContact CA-O 3.47Å; L97-L150 HydrophobicContact CB-CB 3.94Å; L97-L150 HydrophobicContact CB-CD1 4.48Å; L97-L150 HydrophobicContact CG-CB 4.42Å; L97-L150 PolarHBondContact N-O 3.05Å; N98-L150 HydrophobicContact CB-CD1 4.18Å; N98-L150 HydrophobicContact CB-CG 4.36Å; N98-L150 PolarHBondContact OD1-N 2.98Å; P148-L150 HydrophobicContact CB-CD2 4.17Å; L150-Y203 HydrophobicContact CD2-CE2 4.4Å; L150-V224 HydrophobicContact CB-CG1 3.76Å; L150-V224 HydrophobicContact CD2-CG1 4.15Å; L150-V224 HydrophobicContact CG-CG1 4.48Å; L150-K226 HydrophobicContact CD2-CB 3.82Å; L150-K226 HydrophobicContact CD2-CD 3.74Å; L150-K226 HydrophobicContact CD2-CG 3.62Å |
| 151 | L | 89.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.1 | -179.7 | -66.5 | 164.1 | 0 | 0 | 0 | 110.5 | R95 I96 I105 I149 L163 V224 L225 V227 | R95-L151 WeakPolarHBondContact O-CA 2.94Å; I96-L151 HydrophobicContact CG1-CD2 3.94Å; I105-L151 HydrophobicContact CD1-CD2 3.29Å; I105-L151 HydrophobicContact CG1-CD2 4.45Å; I149-L151 HydrophobicContact CG2-CG 4.32Å; L151-L163 HydrophobicContact CB-CD1 4.31Å; L151-L163 WeakPolarHBondContact O-CD1 3.33Å; L151-V224 CarbonylContact O-C 3.58Å; L151-V224 VanDerWaalsContact O-CA 3.31Å; L151-V224 WeakPolarHBondContact O-CA 3.26Å; L151-V224 WeakPolarHBondContact O-CG1 3.36Å; L151-L225 HydrophobicContact CB-CB 4.26Å; L151-L225 HydrophobicContact CD1-CD2 4.38Å; L151-L225 PolarHBondContact N-O 2.89Å; L151-L225 PolarHBondContact O-N 3.07Å; L151-V227 HydrophobicContact CD1-CG2 4.32Å |
| 152 | A | 88 | Confident | 85.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R95 L97 V222 V224 | R95-A152 PolarHBondContact N-O 2.97Å; R95-A152 PolarHBondContact O-N 2.93Å; L97-A152 HydrophobicContact CD1-CB 4Å; L97-A152 HydrophobicContact CD2-CB 3.99Å; L97-A152 HydrophobicContact CG-CB 3.99Å; A152-V222 HydrophobicContact CB-CG1 3.83Å; A152-V224 HydrophobicContact CB-CG2 4.34Å |
| 153 | P | 87.9 | Confident | 85.3 | Confident | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 153.1 | 166.6 | -13.9 | 29.2 | 0 | 0 | 0 | 110.4 | Q93 D157 T158 V161 L163 | Q93-P153 CarbonylContact O-C 3.55Å; Q93-P153 WeakPolarHBondContact O-CA 3.29Å; P153-D157 HydrophobicContact CB-CB 4.27Å; P153-T158 VanDerWaalsContact O-CG2 3.31Å; P153-T158 WeakPolarHBondContact O-CG2 3.23Å; P153-V161 HydrophobicContact CB-CB 4.13Å; P153-V161 HydrophobicContact CB-CG1 4.42Å; P153-V161 HydrophobicContact CG-CB 4.07Å; P153-V161 HydrophobicContact CG-CG1 4.03Å; P153-L163 HydrophobicContact CG-CD1 4.19Å; P153-L163 HydrophobicContact CG-CD2 4.4Å; P153-L163 HydrophobicContact CG-CG 3.95Å |
| 154 | T | 82.7 | Confident | 85 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | trans | -133.8 | 157.9 | -179.6 | -173 | 0 | 0 | 0 | 0 | 112.1 | Q93 R95 L104 K156 D157 | Q93-T154 HydrophobicContact CB-CG2 3.78Å; Q93-T154 PolarHBondContact O-N 2.94Å; R95-T154 HydrophobicContact CB-CG2 4.05Å; L104-T154 HydrophobicContact CD1-CG2 3.63Å; T154-K156 PolarHBondContact O-N 3.33Å; T154-D157 PolarHBondContact O-N 2.78Å | ||
| 155 | G | 79.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -133.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D157 T158 | G155-D157 PolarHBondContact O-N 2.77Å; G155-T158 WeakPolarHBondContact O-CB 3.01Å; G155-T158 VanDerWaalsContact O-CG2 3.31Å; G155-T158 WeakPolarHBondContact O-CG2 3.47Å; G155-T158 PolarHBondContact O-N 3.28Å; G155-T158 PolarHBondContact O-OG1 2.92Å |
| 156 | K | 79.1 | Confident | 83.7 | Confident | 190 Ų | 190 | 52.5 Ų | 52.5 | 83% | 0.826 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.5 | -179.1 | -64.8 | -174.8 | -179.6 | -178.1 | 0 | 113 | T154 T158 | T154-K156 PolarHBondContact O-N 3.33Å; K156-T158 PolarHBondContact O-N 3.42Å |
| 157 | D | 81.8 | Confident | 83 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.4 | -12 | -176.4 | -63.4 | -18.9 | 0 | 0 | 0 | 112.3 | W90 Q93 P153 T154 G155 E159 S160 V161 | W90-D157 WeakPolarHBondContact CZ2-OD1 3.38Å; W90-D157 PolarHBondContact NE1-OD1 3.03Å; Q93-D157 WeakPolarHBondContact CB-OD2 3.38Å; Q93-D157 PolarHBondContact N-OD2 3.22Å; P153-D157 HydrophobicContact CB-CB 4.27Å; T154-D157 PolarHBondContact O-N 2.78Å; G155-D157 PolarHBondContact O-N 2.77Å; D157-E159 PolarHBondContact O-N 3.48Å; D157-S160 WeakPolarHBondContact CA-OG 3.34Å; D157-S160 PolarHBondContact O-N 3.33Å; D157-V161 HydrophobicContact CB-CB 4.36Å; D157-V161 HydrophobicContact CB-CG2 3.72Å; D157-V161 WeakPolarHBondContact O-CB 3.21Å; D157-V161 PolarHBondContact O-N 2.95Å |
| 158 | T | 77.9 | Confident | 82.5 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -29.8 | 178.3 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | P153 G155 K156 K217 | P153-T158 VanDerWaalsContact O-CG2 3.31Å; P153-T158 WeakPolarHBondContact O-CG2 3.23Å; G155-T158 WeakPolarHBondContact O-CB 3.01Å; G155-T158 VanDerWaalsContact O-CG2 3.31Å; G155-T158 WeakPolarHBondContact O-CG2 3.47Å; G155-T158 PolarHBondContact O-N 3.28Å; G155-T158 PolarHBondContact O-OG1 2.92Å; K156-T158 PolarHBondContact O-N 3.42Å; T158-K217 VanDerWaalsContact C-NZ 3.29Å; T158-K217 HydrophobicContact CG2-CD 4.39Å; T158-K217 PolarHBondContact O-NZ 3.12Å; T158-K217 WeakPolarHBondContact OG1-CE 3.47Å |
| 159 | E | 76.5 | Confident | 82.1 | Confident | 164 Ų | 164 | 59.1 Ų | 59.1 | 77% | 0.766 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -97.5 | -29.3 | -178.9 | -64 | -177.9 | 173.2 | 0 | 0 | 113 | D157 | D157-E159 PolarHBondContact O-N 3.48Å |
| 160 | S | 80 | Confident | 81.4 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -94.8 | -21.6 | -175.7 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | D157 | D157-S160 WeakPolarHBondContact CA-OG 3.34Å; D157-S160 PolarHBondContact O-N 3.33Å |
| 161 | V | 83.5 | Confident | 80.8 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 17% | 0.17 | 40% | 0.403 | C | S | . | . | trans | -108.5 | 123.6 | -175.5 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | W90 P153 D157 L163 | W90-V161 HydrophobicContact CH2-CG2 3.66Å; W90-V161 HydrophobicContact CZ2-CG2 3.79Å; P153-V161 HydrophobicContact CB-CB 4.13Å; P153-V161 HydrophobicContact CB-CG1 4.42Å; P153-V161 HydrophobicContact CG-CB 4.07Å; P153-V161 HydrophobicContact CG-CG1 4.03Å; D157-V161 HydrophobicContact CB-CB 4.36Å; D157-V161 HydrophobicContact CB-CG2 3.72Å; D157-V161 WeakPolarHBondContact O-CB 3.21Å; D157-V161 PolarHBondContact O-N 2.95Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å | ||
| 162 | S | 82.9 | Confident | 80 | Confident | 95 Ų | 95 | 68.8 Ų | 68.8 | 66% | 0.664 | 41% | 0.412 | S | S | * | . | trans | -105.8 | 134.2 | 165.4 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 163 | L | 84.2 | Confident | 79.3 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | trans | -93.5 | 127.2 | 177 | -62.1 | -179.3 | 0 | 0 | 0 | 109 | L94 L151 P153 V161 Q223 L225 | L94-L163 HydrophobicContact CD2-CD1 4.3Å; L94-L163 HydrophobicContact CD2-CD2 3.81Å; L151-L163 HydrophobicContact CB-CD1 4.31Å; L151-L163 WeakPolarHBondContact O-CD1 3.33Å; P153-L163 HydrophobicContact CG-CD1 4.19Å; P153-L163 HydrophobicContact CG-CD2 4.4Å; P153-L163 HydrophobicContact CG-CG 3.95Å; V161-L163 HydrophobicContact CG1-CD2 4.16Å; L163-Q223 PolarHBondContact O-NE2 3.16Å; L163-Q223 VanDerWaalsContact O-NE2 3.13Å; L163-L225 HydrophobicContact CB-CB 3.99Å; L163-L225 HydrophobicContact CD1-CB 3.93Å | ||
| 164 | G | 81.5 | Confident | 78.3 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | trans | -124.4 | 152.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S166 E200 | G164-S166 PolarHBondContact O-N 3.47Å; G164-E200 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 165 | T | 80 | Confident | 77.3 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | trans | -84.8 | 95.3 | 169.9 | 60.6 | 0 | 0 | 0 | 0 | 111 | Q198 E200 L225 | T165-Q198 VanDerWaalsContact CB-NE2 3.31Å; T165-Q198 HydrophobicContact CG2-CB 4.42Å; T165-Q198 HydrophobicContact CG2-CG 3.65Å; T165-E200 HydrophobicContact CG2-CG 4.24Å; T165-E200 PolarHBondContact N-OE1 3.42Å; T165-L225 HydrophobicContact CG2-CD1 3.84Å | ||
| 166 | S | 71.1 | Confident | 76.3 | Confident | 119 Ų | 119 | 84 Ų | 84 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | trans | -85.5 | -36.7 | -179.3 | -174.3 | 0 | 0 | 0 | 0 | 113.7 | G164 | G164-S166 PolarHBondContact O-N 3.47Š| ||
| 167 | A | 76.7 | Confident | 75.3 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -139.1 | 153.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q198 | A167-Q198 PolarHBondContact O-NE2 3.24Š|
| 168 | N | 79.9 | Confident | 74.2 | Confident | 145 Ų | 145 | 83.5 Ų | 83.5 | 78% | 0.775 | 49% | 0.49 | S | S | * | . | trans | -56.4 | 135.9 | 175 | -71.5 | -39.7 | 0 | 0 | 0 | 110.3 | E170 | N168-E170 PolarHBondContact O-N 3.06Š| ||
| 169 | P | 82.5 | Confident | 73.2 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 22% | 0.221 | 51% | 0.514 | C | S | . | . | trans | -71.1 | 124.2 | -176.7 | 30.4 | -32.6 | 0 | 0 | 0 | 108.9 | V196 Q198 | P169-V196 HydrophobicContact CB-CB 4.45Å; P169-V196 HydrophobicContact CB-CG1 3.81Å; P169-V196 HydrophobicContact CG-CB 4.45Å; P169-V196 HydrophobicContact CG-CG1 4.07Å; P169-Q198 HydrophobicContact CB-CB 4.26Å; P169-Q198 HydrophobicContact CB-CG 4.32Å; P169-Q198 HydrophobicContact CG-CB 3.93Å; P169-Q198 HydrophobicContact CG-CG 3.8Å | ||
| 170 | E | 76.2 | Confident | 72.1 | Confident | 142 Ų | 142 | 84.6 Ų | 84.6 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | trans | -114.6 | 130.5 | 173.5 | -64.7 | -161.4 | 162.3 | 0 | 0 | 110.1 | N168 | N168-E170 PolarHBondContact O-N 3.06Š| ||
| 171 | L | 76.9 | Confident | 70.9 | Confident | 52 Ų | 52 | 90 Ų | 90 | 27% | 0.272 | 52% | 0.521 | S | S | . | . | trans | -115.7 | 108.3 | 172.4 | 179.9 | 59.9 | 0 | 0 | 0 | 108.8 | I193 V196 V229 | L171-I193 HydrophobicContact CD2-CD1 3.56Å; L171-I193 HydrophobicContact CD2-CG1 4.42Å; L171-I193 HydrophobicContact CD2-CG2 4.35Å; L171-I193 HydrophobicContact CG-CD1 4.03Å; L171-V196 HydrophobicContact CB-CG2 3.55Å; L171-V196 HydrophobicContact CD2-CG2 3.97Å; L171-V196 HydrophobicContact CG-CG2 4.43Å; L171-V229 HydrophobicContact CD2-CG1 3.81Å; L171-V229 HydrophobicContact CD2-CG2 4.2Å | ||
| 172 | N | 71.4 | Confident | 69.5 | Low | 63 Ų | 63 | 98 Ų | 98 | 34% | 0.337 | 56% | 0.556 | S | S | . | * | trans | -103.6 | 118.9 | -179.9 | -68.3 | -48.6 | 0 | 0 | 0 | 109.6 | Y174 | N172-Y174 HydrophobicContact CB-CD1 4.43Å; N172-Y174 HydrophobicContact CB-CE1 4.3Å; N172-Y174 PolarHBondContact O-N 3.12Å | ||
| 173 | L | 72.6 | Confident | 68.2 | Low | 55 Ų | 55 | 95.4 Ų | 95.4 | 29% | 0.288 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -82.2 | 8.4 | 173.6 | -62.3 | 172.2 | 0 | 0 | 0 | 113.2 | K185 V188 I193 | L173-K185 HydrophobicContact CB-CB 4.44Å; L173-K185 WeakPolarHBondContact CB-O 3.25Å; L173-K185 VanDerWaalsContact CD1-O 3.29Å; L173-K185 WeakPolarHBondContact CD1-O 3.22Å; L173-V188 HydrophobicContact CD1-CG2 3.49Å; L173-V188 VanDerWaalsContact CD1-CG2 3.49Å; L173-V188 HydrophobicContact CD2-CG2 3.65Å; L173-V188 HydrophobicContact CG-CG2 4.11Å; L173-I193 HydrophobicContact CD1-CD1 3.61Å; L173-I193 HydrophobicContact CD1-CG1 4.46Å; L173-I193 HydrophobicContact CD2-CD1 3.68Å; L173-I193 HydrophobicContact CG-CD1 3.68Å |
| 174 | Y | 66.9 | Low | 67.1 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 24% | 0.235 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -135.2 | 153.7 | 179.6 | 67.4 | -82.6 | 0 | 0 | 0 | 109 | N172 K184 | N172-Y174 HydrophobicContact CB-CD1 4.43Å; N172-Y174 HydrophobicContact CB-CE1 4.3Å; N172-Y174 PolarHBondContact O-N 3.12Å; Y174-K184 HydrophobicContact CE1-CB 4.39Å; Y174-K184 HydrophobicContact CE1-CG 4.32Å |
| 175 | W | 62.3 | Low | 66.3 | Low | 181 Ų | 181 | 104 Ų | 104 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | trans | -70.8 | 126.8 | 172.9 | -70.7 | 92.8 | 0 | 0 | 0 | 109.7 | I59 S177 S178 | I59-W175 HydrophobicContact CD1-CE3 3.94Å; I59-W175 HydrophobicContact CD1-CH2 3.14Å; I59-W175 HydrophobicContact CD1-CZ2 4Å; I59-W175 HydrophobicContact CD1-CZ3 3.09Å; I59-W175 HydrophobicContact CG1-CH2 4.33Å; W175-S177 PolarHBondContact O-N 3.43Å; W175-S178 WeakPolarHBondContact O-CB 3.18Å; W175-S178 PolarHBondContact O-N 3.02Å | ||
| 176 | P | 58.4 | Low | 65.9 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -58.7 | -23.8 | -178.7 | 19.5 | -29.8 | 0 | 0 | 0 | 112.9 | S178 | P176-S178 PolarHBondContact O-N 3.43Å; P176-S178 VanDerWaalsContact O-N 3.13Å |
| 177 | S | 59 | Low | 66.2 | Low | 118 Ų | 118 | 100.9 Ų | 100.9 | 83% | 0.825 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.3 | 175.3 | -166.4 | 0 | 0 | 0 | 0 | 114.4 | W175 G179 | W175-S177 PolarHBondContact O-N 3.43Å; S177-G179 PolarHBondContact O-N 2.96Å |
| 178 | S | 58.7 | Low | 66.3 | Low | 70 Ų | 70 | 101.7 Ų | 101.7 | 49% | 0.49 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -71 | -0.4 | -174.6 | -172.3 | 0 | 0 | 0 | 0 | 115.1 | W175 P176 K180 | W175-S178 WeakPolarHBondContact O-CB 3.18Å; W175-S178 PolarHBondContact O-N 3.02Å; P176-S178 PolarHBondContact O-N 3.43Å; P176-S178 VanDerWaalsContact O-N 3.13Å; S178-K180 PolarHBondContact O-N 2.98Å |
| 179 | G | 55.3 | Low | 66.4 | Low | 66 Ų | 66 | 98.6 Ų | 98.6 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | trans | 64.1 | -6.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S177 K181 | S177-G179 PolarHBondContact O-N 2.96Å; G179-K181 VanDerWaalsContact C-N 3.31Å; G179-K181 PolarHBondContact O-N 3.36Å | ||
| 180 | K | 54.6 | Low | 66.6 | Low | 151 Ų | 151 | 101 Ų | 101 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | trans | -78.5 | 80.1 | 175.5 | -70.6 | -173.4 | 178.5 | -177.4 | 0 | 109.4 | S178 E182 | S178-K180 PolarHBondContact O-N 2.98Å; K180-E182 PolarHBondContact O-N 2.73Å | ||
| 181 | K | 54.6 | Low | 67.1 | Low | 201 Ų | 201 | 96.9 Ų | 96.9 | 87% | 0.874 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.1 | 175.2 | -78.6 | -174.5 | 173.3 | -178.1 | 0 | 113.9 | G179 | G179-K181 VanDerWaalsContact C-N 3.31Å; G179-K181 PolarHBondContact O-N 3.36Å |
| 182 | E | 54.4 | Low | 67.6 | Low | 196 Ų | 196 | 95.9 Ų | 95.9 | 92% | 0.916 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 16 | -168.9 | -66.1 | -173.1 | 161.8 | 0 | 0 | 115.1 | K180 | K180-E182 PolarHBondContact O-N 2.73Š|
| 183 | G | 54.4 | Low | 68.4 | Low | 42 Ų | 42 | 93.5 Ų | 93.5 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | trans | -146.1 | 76.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K185 | G183-K185 PolarHBondContact O-N 3.21Š| ||
| 184 | K | 62 | Low | 69.2 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | trans | -56.9 | 105.7 | 166 | -68.2 | -172 | 179.1 | -169.7 | 0 | 106.7 | Y174 L186 | Y174-K184 HydrophobicContact CE1-CB 4.39Å; Y174-K184 HydrophobicContact CE1-CG 4.32Å; K184-L186 HydrophobicContact CB-CD2 4.2Å; K184-L186 HydrophobicContact CB-CG 4.12Å; K184-L186 PolarHBondContact O-N 3.45Å | ||
| 185 | K | 64 | Low | 70.3 | Confident | 122 Ų | 122 | 93.4 Ų | 93.4 | 53% | 0.53 | 52% | 0.516 | S | S | . | . | trans | -64.4 | 108.2 | 169.3 | -174.8 | 178.6 | -179.6 | -176.4 | 0 | 105.4 | L173 G183 S187 | L173-K185 HydrophobicContact CB-CB 4.44Å; L173-K185 WeakPolarHBondContact CB-O 3.25Å; L173-K185 VanDerWaalsContact CD1-O 3.29Å; L173-K185 WeakPolarHBondContact CD1-O 3.22Å; G183-K185 PolarHBondContact O-N 3.21Å; K185-S187 WeakPolarHBondContact CE-O 3.39Å | ||
| 186 | L | 73 | Confident | 71.5 | Confident | 68 Ų | 68 | 86 Ų | 86 | 36% | 0.356 | 49% | 0.491 | S | S | . | . | trans | -101.9 | -7.6 | -179.6 | -67.7 | 171.9 | 0 | 0 | 0 | 112 | K184 E192 I193 | K184-L186 HydrophobicContact CB-CD2 4.2Å; K184-L186 HydrophobicContact CB-CG 4.12Å; K184-L186 PolarHBondContact O-N 3.45Å; L186-E192 HydrophobicContact CB-CG 4.3Å; L186-E192 CarbonylContact O-C 3.51Å; L186-E192 WeakPolarHBondContact O-CA 3.24Å; L186-I193 PolarHBondContact O-N 2.85Å | ||
| 187 | S | 76.2 | Confident | 73.2 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.5 | -176.4 | 60 | 0 | 0 | 0 | 0 | 114.2 | K185 W191 | K185-S187 WeakPolarHBondContact CE-O 3.39Å; S187-W191 CarbonylContact C-O 3.5Å; S187-W191 WeakPolarHBondContact CA-O 3.28Å; S187-W191 WeakPolarHBondContact CB-O 3.14Å |
| 188 | V | 78.7 | Confident | 74.7 | Confident | 87 Ų | 87 | 81 Ų | 81 | 53% | 0.527 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.1 | 169.6 | -178.7 | 0 | 0 | 0 | 0 | 108 | L173 Q190 W191 | L173-V188 HydrophobicContact CD1-CG2 3.49Å; L173-V188 VanDerWaalsContact CD1-CG2 3.49Å; L173-V188 HydrophobicContact CD2-CG2 3.65Å; L173-V188 HydrophobicContact CG-CG2 4.11Å; V188-Q190 PolarHBondContact O-N 3.11Å; V188-W191 PolarHBondContact N-O 3.33Å; V188-W191 PolarHBondContact O-N 2.93Å |
| 189 | G | 82.7 | Confident | 76.3 | Confident | 80 Ų | 80 | 82 Ų | 82 | 83% | 0.825 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -121.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 190 | Q | 86.2 | Confident | 77.9 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 10.7 | 178 | -65.1 | -179.6 | -16.1 | 0 | 0 | 113.4 | V188 R234 I235 | V188-Q190 PolarHBondContact O-N 3.11Å; Q190-R234 PolarHBondContact O-N 2.93Å; Q190-I235 HydrophobicContact CB-CG1 4.12Å; Q190-I235 HydrophobicContact CG-CG1 4.21Å |
| 191 | W | 86.9 | Confident | 79.5 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 21% | 0.212 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142.1 | -175.8 | -65.5 | 103 | 0 | 0 | 0 | 111.1 | M135 H145 S187 V188 F231 R233 | M135-W191 HydrophobicContact CE-CH2 4.5Å; M135-W191 HydrophobicContact SD-CH2 3.96Å; M135-W191 HydrophobicContact SD-CZ2 4.29Å; H145-W191 AromaticContact CD2-CH2 3.53Å; H145-W191 AromaticContact CD2-CZ3 3.61Å; H145-W191 AromaticContact NE2-CH2 3.83Å; S187-W191 CarbonylContact C-O 3.5Å; S187-W191 WeakPolarHBondContact CA-O 3.28Å; S187-W191 WeakPolarHBondContact CB-O 3.14Å; V188-W191 PolarHBondContact N-O 3.33Å; V188-W191 PolarHBondContact O-N 2.93Å; W191-F231 HydrophobicContact CE3-CB 3.93Å; W191-F231 HydrophobicContact CZ3-CB 4.28Å; W191-R233 HydrophobicContact CE3-CB 4Å; W191-R233 HydrophobicContact CH2-CB 4.23Å; W191-R233 HydrophobicContact CZ3-CB 3.7Å; W191-R233 HydrophobicContact CZ3-CG 4.37Å |
| 192 | E | 88.3 | Confident | 80.9 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 15% | 0.15 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131 | 175 | -179.9 | 171.5 | -117.6 | 0 | 0 | 109 | L186 V194 F231 R232 R234 | L186-E192 HydrophobicContact CB-CG 4.3Å; L186-E192 CarbonylContact O-C 3.51Å; L186-E192 WeakPolarHBondContact O-CA 3.24Å; E192-V194 PolarHBondContact O-N 2.98Å; E192-F231 CarbonylContact O-C 3.58Å; E192-F231 WeakPolarHBondContact O-CA 3.22Å; E192-R232 PolarHBondContact N-O 2.88Å; E192-R232 PolarHBondContact O-N 3.36Å; E192-R232 IonicContact OE2-NH1 3.96Å; E192-R234 HydrophobicContact CB-CB 4.49Å; E192-R234 IonicContact OE1-CZ 2.72Å; E192-R234 IonicContact OE1-NH1 3.51Å; E192-R234 PolarHBondContact OE1-NH1 2.87Å |
| 193 | I | 88.3 | Confident | 82.1 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.1 | 172.4 | -61.9 | 164.6 | 0 | 0 | 0 | 107.1 | L171 L173 L186 V196 V229 F231 | L171-I193 HydrophobicContact CD2-CD1 3.56Å; L171-I193 HydrophobicContact CD2-CG1 4.42Å; L171-I193 HydrophobicContact CD2-CG2 4.35Å; L171-I193 HydrophobicContact CG-CD1 4.03Å; L173-I193 HydrophobicContact CD1-CD1 3.61Å; L173-I193 HydrophobicContact CD1-CG1 4.46Å; L173-I193 HydrophobicContact CD2-CD1 3.68Å; L173-I193 HydrophobicContact CG-CD1 3.68Å; L186-I193 PolarHBondContact O-N 2.85Å; I193-V196 HydrophobicContact CG2-CG2 4.21Å; I193-V229 HydrophobicContact CG2-CG1 4.2Å; I193-F231 HydrophobicContact CD1-CE1 4.47Å; I193-F231 HydrophobicContact CG1-CD1 3.99Å; I193-F231 HydrophobicContact CG1-CE1 3.78Å |
| 194 | V | 88.4 | Confident | 83.1 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -52.8 | -179.1 | -179.7 | 0 | 0 | 0 | 0 | 110 | E192 R230 R232 | E192-V194 PolarHBondContact O-N 2.98Å; V194-R230 HydrophobicContact CB-CB 4.26Å; V194-R230 HydrophobicContact CB-CG 3.96Å; V194-R230 HydrophobicContact CG2-CG 4.26Å; V194-R230 PolarHBondContact N-O 2.78Å; V194-R232 HydrophobicContact CG2-CB 3.46Å; V194-R232 VanDerWaalsContact CG2-CB 3.46Å |
| 195 | N | 89.1 | Confident | 83.4 | Confident | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 168.2 | 176.9 | 65.1 | 12 | 0 | 0 | 0 | 110.8 | R230 | N195-R230 PolarHBondContact O-N 3.2Å; N195-R230 WeakPolarHBondContact OD1-CB 3.48Å |
| 196 | V | 89.6 | Confident | 83.4 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.2 | 168.9 | -175 | 0 | 0 | 0 | 0 | 107.5 | P169 L171 I193 V227 T228 V229 | P169-V196 HydrophobicContact CB-CB 4.45Å; P169-V196 HydrophobicContact CB-CG1 3.81Å; P169-V196 HydrophobicContact CG-CB 4.45Å; P169-V196 HydrophobicContact CG-CG1 4.07Å; L171-V196 HydrophobicContact CB-CG2 3.55Å; L171-V196 HydrophobicContact CD2-CG2 3.97Å; L171-V196 HydrophobicContact CG-CG2 4.43Å; I193-V196 HydrophobicContact CG2-CG2 4.21Å; V196-V227 HydrophobicContact CG1-CG1 3.8Å; V196-T228 WeakPolarHBondContact CA-O 3.38Å; V196-V229 HydrophobicContact CG1-CG2 4.34Å; V196-V229 HydrophobicContact CG2-CG1 4.23Å; V196-V229 HydrophobicContact CG2-CG2 4.33Å |
| 197 | T | 92.2 | Very high | 82.8 | Confident | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.9 | 177.3 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | V227 T228 | T197-V227 CarbonylContact O-C 3.6Å; T197-V227 WeakPolarHBondContact O-CA 3.23Å; T197-T228 PolarHBondContact N-O 3.13Å; T197-T228 PolarHBondContact O-N 3.48Å |
| 198 | Q | 91.6 | Very high | 82.4 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.1 | 175.5 | 69.5 | -174.4 | 9.2 | 0 | 0 | 108.8 | T165 A167 P169 K226 V227 | T165-Q198 VanDerWaalsContact CB-NE2 3.31Å; T165-Q198 HydrophobicContact CG2-CB 4.42Å; T165-Q198 HydrophobicContact CG2-CG 3.65Å; A167-Q198 PolarHBondContact O-NE2 3.24Å; P169-Q198 HydrophobicContact CB-CB 4.26Å; P169-Q198 HydrophobicContact CB-CG 4.32Å; P169-Q198 HydrophobicContact CG-CB 3.93Å; P169-Q198 HydrophobicContact CG-CG 3.8Å; Q198-K226 VanDerWaalsContact CA-O 3.3Å; Q198-K226 WeakPolarHBondContact CA-O 3.49Å; Q198-V227 HydrophobicContact CB-CG2 4.44Å |
| 199 | K | 91.4 | Very high | 81.6 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.2 | 173 | 53.5 | 175.9 | 172.5 | 171.1 | 0 | 110.2 | E201 K226 | K199-E201 HydrophobicContact CD-CG 4Å; K199-E201 WeakPolarHBondContact CD-OE1 3.3Å; K199-E201 VanDerWaalsContact CE-CD 3.48Å; K199-E201 WeakPolarHBondContact CE-OE1 3.41Å; K199-E201 HydrophobicContact CG-CG 4.14Å; K199-E201 IonicContact NZ-OE1 2.73Å; K199-E201 PolarHBondContact NZ-OE1 2.93Å; K199-E201 IonicContact NZ-OE2 2.62Å; K199-K226 HydrophobicContact CG-CB 4.24Å; K199-K226 PolarHBondContact N-O 3.14Å; K199-K226 PolarHBondContact O-N 3.39Å |
| 200 | E | 90.5 | Very high | 80.7 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.8 | 168.6 | -67.8 | 166.2 | -141.3 | 0 | 0 | 108.1 | G164 T165 Q223 L225 | G164-E200 WeakPolarHBondContact CA-OE1 3.32Å; T165-E200 HydrophobicContact CG2-CG 4.24Å; T165-E200 PolarHBondContact N-OE1 3.42Å; E200-Q223 PolarHBondContact OE2-NE2 2.97Å; E200-L225 HydrophobicContact CG-CD1 4.39Å |
| 201 | E | 87.6 | Confident | 79.4 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.3 | 173.9 | -69.2 | -169.4 | 152.3 | 0 | 0 | 108.7 | K199 Y203 V224 K226 | K199-E201 HydrophobicContact CD-CG 4Å; K199-E201 WeakPolarHBondContact CD-OE1 3.3Å; K199-E201 VanDerWaalsContact CE-CD 3.48Å; K199-E201 WeakPolarHBondContact CE-OE1 3.41Å; K199-E201 HydrophobicContact CG-CG 4.14Å; K199-E201 IonicContact NZ-OE1 2.73Å; K199-E201 PolarHBondContact NZ-OE1 2.93Å; K199-E201 IonicContact NZ-OE2 2.62Å; E201-Y203 HydrophobicContact CB-CD2 4.17Å; E201-Y203 HydrophobicContact CB-CE2 3.74Å; E201-Y203 PolarHBondContact OE2-OH 3.27Å; E201-Y203 VanDerWaalsContact OE2-OH 3.04Å; E201-V224 PolarHBondContact N-O 3.09Å; E201-V224 PolarHBondContact O-N 2.88Å; E201-V224 VanDerWaalsContact O-O 3.12Å; E201-K226 IonicContact OE1-NZ 3.05Å; E201-K226 WeakPolarHBondContact OE2-CD 3.49Å; E201-K226 IonicContact OE2-NZ 3.99Å; E201-K226 PolarHBondContact OE2-NZ 3.5Å |
| 202 | T | 84 | Confident | 78.1 | Confident | 97 Ų | 97 | 73 Ų | 73 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.6 | 171.1 | -57 | 0 | 0 | 0 | 0 | 107.7 | D221 V222 | T202-D221 HydrophobicContact CG2-CB 3.74Å; T202-V222 WeakPolarHBondContact CA-O 3.24Å |
| 203 | Y | 78.5 | Confident | 76.8 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137 | 180 | -79.5 | -89 | 0 | 0 | 0 | 110.4 | L150 E201 L205 E208 D221 V222 V224 K226 | L150-Y203 HydrophobicContact CD2-CE2 4.4Å; E201-Y203 HydrophobicContact CB-CD2 4.17Å; E201-Y203 HydrophobicContact CB-CE2 3.74Å; E201-Y203 PolarHBondContact OE2-OH 3.27Å; E201-Y203 VanDerWaalsContact OE2-OH 3.04Å; Y203-L205 PolarHBondContact O-N 2.97Å; Y203-E208 HydrophobicContact CD1-CG 4.1Å; Y203-D221 WeakPolarHBondContact O-CA 3.44Å; Y203-V222 PolarHBondContact N-O 2.99Å; Y203-V222 PolarHBondContact O-N 3.46Å; Y203-V224 HydrophobicContact CD2-CB 3.84Å; Y203-V224 HydrophobicContact CD2-CG1 4.36Å; Y203-V224 HydrophobicContact CD2-CG2 3.66Å; Y203-V224 HydrophobicContact CE2-CB 4.21Å; Y203-V224 HydrophobicContact CE2-CG1 4.37Å; Y203-V224 HydrophobicContact CE2-CG2 4.45Å; Y203-V224 HydrophobicContact CG-CG2 4.44Å; Y203-K226 PolarHBondContact OH-NZ 2.92Å |
| 204 | N | 75.5 | Confident | 75.1 | Confident | 52 Ų | 52 | 76 Ų | 76 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.5 | 167.9 | -167.8 | -43.8 | 0 | 0 | 0 | 109.3 | R206 E207 T220 D221 | N204-R206 PolarHBondContact O-N 3.25Å; N204-R206 VanDerWaalsContact OD1-CB 3.31Å; N204-R206 WeakPolarHBondContact OD1-CB 3.4Å; N204-R206 PolarHBondContact OD1-N 3.39Å; N204-E207 PolarHBondContact O-N 3.47Å; N204-T220 CarbonylContact C-O 3.57Å; N204-T220 WeakPolarHBondContact CA-O 3.32Å; N204-T220 WeakPolarHBondContact OD1-CB 3.24Å; N204-D221 PolarHBondContact ND2-OD1 3.47Å |
| 205 | L | 68.6 | Low | 73.3 | Confident | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.1 | -177.7 | -69.2 | 178.6 | 0 | 0 | 0 | 113.6 | Y203 E207 K211 A214 T220 V222 | Y203-L205 PolarHBondContact O-N 2.97Å; L205-E207 VanDerWaalsContact C-N 3.35Å; L205-K211 VanDerWaalsContact O-CG 3.28Å; L205-K211 WeakPolarHBondContact O-CG 3.46Å; L205-A214 HydrophobicContact CB-CB 4.1Å; L205-A214 HydrophobicContact CD1-CB 3.51Å; L205-A214 HydrophobicContact CG-CB 4.42Å; L205-T220 PolarHBondContact N-O 2.98Å; L205-V222 HydrophobicContact CD1-CB 4.34Å; L205-V222 HydrophobicContact CD1-CG2 3.42Å; L205-V222 VanDerWaalsContact CD1-CG2 3.42Å; L205-V222 HydrophobicContact CG-CB 4.38Å; L205-V222 HydrophobicContact CG-CG2 3.92Å |
| 206 | R | 63.2 | Low | 71.6 | Confident | 178 Ų | 178 | 81.7 Ų | 81.7 | 67% | 0.672 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -16.6 | 177 | -66.5 | -172.5 | 175.9 | 176.8 | 4.9 | 113.9 | N204 K211 T220 | N204-R206 PolarHBondContact O-N 3.25Å; N204-R206 VanDerWaalsContact OD1-CB 3.31Å; N204-R206 WeakPolarHBondContact OD1-CB 3.4Å; N204-R206 PolarHBondContact OD1-N 3.39Å; R206-K211 WeakPolarHBondContact O-CD 3.41Å; R206-K211 WeakPolarHBondContact O-CE 3.47Å; R206-K211 PolarHBondContact O-NZ 2.91Å; R206-T220 HydrophobicContact CG-CG2 3.92Å; R206-T220 VanDerWaalsContact NE-CG2 3.27Å |
| 207 | E | 61.7 | Low | 69.9 | Low | 159 Ų | 159 | 83.3 Ų | 83.3 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -25 | -174.6 | -65.5 | -174.2 | 170.5 | 0 | 0 | 112.6 | N204 L205 | N204-E207 PolarHBondContact O-N 3.47Å; L205-E207 VanDerWaalsContact C-N 3.35Å |
| 208 | E | 66.6 | Low | 68.2 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -91.3 | 162.4 | -171 | -69.7 | -70.4 | 175.7 | 0 | 0 | 113.4 | Y203 W210 K211 | Y203-E208 HydrophobicContact CD1-CG 4.1Å; E208-W210 PolarHBondContact O-N 3.28Å; E208-K211 WeakPolarHBondContact O-CE 3.5Å; E208-K211 WeakPolarHBondContact O-CG 3.41Å |
| 209 | S | 61.9 | Low | 66.7 | Low | 90 Ų | 90 | 88.4 Ų | 88.4 | 63% | 0.629 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.4 | 178.7 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 210 | W | 65.7 | Low | 65.4 | Low | 54 Ų | 54 | 86 Ų | 86 | 21% | 0.205 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 21.9 | -172.6 | -28.4 | 103.2 | 0 | 0 | 0 | 112.6 | L97 N98 E208 D212 F213 | L97-W210 VanDerWaalsContact O-CD2 3.27Å; N98-W210 HydrophobicContact CB-CH2 3.59Å; N98-W210 HydrophobicContact CB-CZ2 3.58Å; N98-W210 HydrophobicContact CB-CZ3 4.21Å; E208-W210 PolarHBondContact O-N 3.28Å; W210-D212 PolarHBondContact O-N 3.36Å; W210-D212 VanDerWaalsContact O-N 3.17Å; W210-F213 HydrophobicContact CB-CD2 3.7Å; W210-F213 HydrophobicContact CB-CE2 4.25Å; W210-F213 HydrophobicContact CE3-CE2 4.39Å; W210-F213 WeakPolarHBondContact O-CB 3.36Å; W210-F213 WeakPolarHBondContact O-CD2 3.33Å; W210-F213 PolarHBondContact O-N 2.99Å |
| 211 | K | 58.4 | Low | 64.7 | Low | 110 Ų | 110 | 85.9 Ų | 85.9 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -56.1 | -34.7 | -175 | -42.3 | -163.3 | -175.2 | -177.7 | 0 | 113.1 | L205 R206 E208 F213 A214 | L205-K211 VanDerWaalsContact O-CG 3.28Å; L205-K211 WeakPolarHBondContact O-CG 3.46Å; R206-K211 WeakPolarHBondContact O-CD 3.41Å; R206-K211 WeakPolarHBondContact O-CE 3.47Å; R206-K211 PolarHBondContact O-NZ 2.91Å; E208-K211 WeakPolarHBondContact O-CE 3.5Å; E208-K211 WeakPolarHBondContact O-CG 3.41Å; K211-F213 PolarHBondContact O-N 2.74Å; K211-F213 VanDerWaalsContact O-N 3.14Å; K211-A214 WeakPolarHBondContact O-CB 3.22Å; K211-A214 PolarHBondContact O-N 3.05Å |
| 212 | D | 58.6 | Low | 64.2 | Low | 136 Ų | 136 | 84 Ų | 84 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -65.4 | -16.2 | -179.5 | -63.5 | -23.4 | 0 | 0 | 0 | 112.9 | W210 A214 I215 | W210-D212 PolarHBondContact O-N 3.36Å; W210-D212 VanDerWaalsContact O-N 3.17Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-I215 VanDerWaalsContact O-CD1 3.26Å; D212-I215 WeakPolarHBondContact O-CD1 3.45Å; D212-I215 VanDerWaalsContact O-CG1 3.28Å; D212-I215 WeakPolarHBondContact O-CG1 3.28Å |
| 213 | F | 61.4 | Low | 64.2 | Low | 70 Ų | 70 | 82.6 Ų | 82.6 | 31% | 0.307 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -83.5 | -6.8 | 174.8 | -60.4 | -72.7 | 0 | 0 | 0 | 113.2 | W210 K211 I215 | W210-F213 HydrophobicContact CB-CD2 3.7Å; W210-F213 HydrophobicContact CB-CE2 4.25Å; W210-F213 HydrophobicContact CE3-CE2 4.39Å; W210-F213 WeakPolarHBondContact O-CB 3.36Å; W210-F213 WeakPolarHBondContact O-CD2 3.33Å; W210-F213 PolarHBondContact O-N 2.99Å; K211-F213 PolarHBondContact O-N 2.74Å; K211-F213 VanDerWaalsContact O-N 3.14Å; F213-I215 PolarHBondContact O-N 3.19Å; F213-I215 VanDerWaalsContact O-N 3.12Å |
| 214 | A | 53.5 | Low | 64.7 | Low | 37 Ų | 37 | 80.6 Ų | 80.6 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -72.7 | 7.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L205 K211 D212 G216 K217 | L205-A214 HydrophobicContact CB-CB 4.1Å; L205-A214 HydrophobicContact CD1-CB 3.51Å; L205-A214 HydrophobicContact CG-CB 4.42Å; K211-A214 WeakPolarHBondContact O-CB 3.22Å; K211-A214 PolarHBondContact O-N 3.05Å; D212-A214 VanDerWaalsContact C-N 3.3Å; A214-G216 PolarHBondContact O-N 2.95Å; A214-K217 PolarHBondContact O-N 2.93Å |
| 215 | I | 50.5 | Low | 65.4 | Low | 157 Ų | 157 | 79.2 Ų | 79.2 | 81% | 0.805 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 103.8 | -175 | -59.3 | 163.8 | 0 | 0 | 0 | 109.6 | D212 F213 | D212-I215 VanDerWaalsContact O-CD1 3.26Å; D212-I215 WeakPolarHBondContact O-CD1 3.45Å; D212-I215 VanDerWaalsContact O-CG1 3.28Å; D212-I215 WeakPolarHBondContact O-CG1 3.28Å; F213-I215 PolarHBondContact O-N 3.19Å; F213-I215 VanDerWaalsContact O-N 3.12Å |
| 216 | G | 52 | Low | 66.5 | Low | 76 Ų | 76 | 80.2 Ų | 80.2 | 78% | 0.784 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.8 | 0.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | A214 | A214-G216 PolarHBondContact O-N 2.95Š|
| 217 | K | 53.9 | Low | 67.8 | Low | 61 Ų | 61 | 73 Ų | 73 | 27% | 0.265 | 41% | 0.405 | S | S | . | . | trans | -117.3 | 123.2 | 173.5 | -94 | -174 | 156.3 | -176.8 | 0 | 111.5 | T158 A214 G219 | T158-K217 VanDerWaalsContact C-NZ 3.29Å; T158-K217 HydrophobicContact CG2-CD 4.39Å; T158-K217 PolarHBondContact O-NZ 3.12Å; T158-K217 WeakPolarHBondContact OG1-CE 3.47Å; A214-K217 PolarHBondContact O-N 2.93Å; K217-G219 PolarHBondContact O-N 3.46Å | ||
| 218 | D | 57.7 | Low | 69.3 | Low | 178 Ų | 178 | 66 Ų | 66 | 95% | 0.952 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -66.1 | -14.2 | 168.9 | -74.8 | -24.3 | 0 | 0 | 0 | 112.2 | ||
| 219 | G | 59.3 | Low | 70.4 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | trans | -86.5 | 132.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K217 D221 | K217-G219 PolarHBondContact O-N 3.46Å; G219-D221 VanDerWaalsContact C-N 3.27Å; G219-D221 PolarHBondContact O-N 3.39Å | ||
| 220 | T | 65.2 | Low | 71.8 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -74.3 | -19.3 | 178.4 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | N204 L205 R206 | N204-T220 CarbonylContact C-O 3.57Å; N204-T220 WeakPolarHBondContact CA-O 3.32Å; N204-T220 WeakPolarHBondContact OD1-CB 3.24Å; L205-T220 PolarHBondContact N-O 2.98Å; R206-T220 HydrophobicContact CG-CG2 3.92Å; R206-T220 VanDerWaalsContact NE-CG2 3.27Å |
| 221 | D | 75 | Confident | 73 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.1 | -165 | -65.6 | 5.6 | 0 | 0 | 0 | 110.2 | T202 Y203 N204 G219 | T202-D221 HydrophobicContact CG2-CB 3.74Å; Y203-D221 WeakPolarHBondContact O-CA 3.44Å; N204-D221 PolarHBondContact ND2-OD1 3.47Å; G219-D221 VanDerWaalsContact C-N 3.27Å; G219-D221 PolarHBondContact O-N 3.39Å |
| 222 | V | 77.7 | Confident | 74.5 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.8 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | A152 T202 Y203 L205 V224 | A152-V222 HydrophobicContact CB-CG1 3.83Å; T202-V222 WeakPolarHBondContact CA-O 3.24Å; Y203-V222 PolarHBondContact N-O 2.99Å; Y203-V222 PolarHBondContact O-N 3.46Å; L205-V222 HydrophobicContact CD1-CB 4.34Å; L205-V222 HydrophobicContact CD1-CG2 3.42Å; L205-V222 VanDerWaalsContact CD1-CG2 3.42Å; L205-V222 HydrophobicContact CG-CB 4.38Å; L205-V222 HydrophobicContact CG-CG2 3.92Å; V222-V224 HydrophobicContact CG1-CG2 4.11Å; V222-V224 PolarHBondContact O-N 3.4Å |
| 223 | Q | 84.2 | Confident | 76 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.6 | 170 | -170.5 | -174.5 | 18.9 | 0 | 0 | 108.9 | L163 E200 | L163-Q223 PolarHBondContact O-NE2 3.16Å; L163-Q223 VanDerWaalsContact O-NE2 3.13Å; E200-Q223 PolarHBondContact OE2-NE2 2.97Å |
| 224 | V | 88.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.5 | -176.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | L97 L150 L151 A152 E201 Y203 V222 | L97-V224 HydrophobicContact CD1-CG1 4.26Å; L97-V224 HydrophobicContact CD1-CG2 3.52Å; L150-V224 HydrophobicContact CB-CG1 3.76Å; L150-V224 HydrophobicContact CD2-CG1 4.15Å; L150-V224 HydrophobicContact CG-CG1 4.48Å; L151-V224 CarbonylContact O-C 3.58Å; L151-V224 VanDerWaalsContact O-CA 3.31Å; L151-V224 WeakPolarHBondContact O-CA 3.26Å; L151-V224 WeakPolarHBondContact O-CG1 3.36Å; A152-V224 HydrophobicContact CB-CG2 4.34Å; E201-V224 PolarHBondContact N-O 3.09Å; E201-V224 PolarHBondContact O-N 2.88Å; E201-V224 VanDerWaalsContact O-O 3.12Å; Y203-V224 HydrophobicContact CD2-CB 3.84Å; Y203-V224 HydrophobicContact CD2-CG1 4.36Å; Y203-V224 HydrophobicContact CD2-CG2 3.66Å; Y203-V224 HydrophobicContact CE2-CB 4.21Å; Y203-V224 HydrophobicContact CE2-CG1 4.37Å; Y203-V224 HydrophobicContact CE2-CG2 4.45Å; Y203-V224 HydrophobicContact CG-CG2 4.44Å; V222-V224 HydrophobicContact CG1-CG2 4.11Å; V222-V224 PolarHBondContact O-N 3.4Å |
| 225 | L | 90.4 | Very high | 79 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.1 | 165.4 | 179.8 | 66.6 | 0 | 0 | 0 | 108.4 | L151 L163 T165 E200 V227 | L151-L225 HydrophobicContact CB-CB 4.26Å; L151-L225 HydrophobicContact CD1-CD2 4.38Å; L151-L225 PolarHBondContact N-O 2.89Å; L151-L225 PolarHBondContact O-N 3.07Å; L163-L225 HydrophobicContact CB-CB 3.99Å; L163-L225 HydrophobicContact CD1-CB 3.93Å; T165-L225 HydrophobicContact CG2-CD1 3.84Å; E200-L225 HydrophobicContact CG-CD1 4.39Å; L225-V227 HydrophobicContact CG-CG2 4.33Å |
| 226 | K | 91.7 | Very high | 80.7 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 108 | 179.3 | 176.1 | 168.7 | 177 | 174.6 | 0 | 110.3 | P148 L150 Q198 K199 E201 Y203 | P148-K226 HydrophobicContact CB-CG 4.21Å; L150-K226 HydrophobicContact CD2-CB 3.82Å; L150-K226 HydrophobicContact CD2-CD 3.74Å; L150-K226 HydrophobicContact CD2-CG 3.62Å; Q198-K226 VanDerWaalsContact CA-O 3.3Å; Q198-K226 WeakPolarHBondContact CA-O 3.49Å; K199-K226 HydrophobicContact CG-CB 4.24Å; K199-K226 PolarHBondContact N-O 3.14Å; K199-K226 PolarHBondContact O-N 3.39Å; E201-K226 IonicContact OE1-NZ 3.05Å; E201-K226 WeakPolarHBondContact OE2-CD 3.49Å; E201-K226 IonicContact OE2-NZ 3.99Å; E201-K226 PolarHBondContact OE2-NZ 3.5Å; Y203-K226 PolarHBondContact OH-NZ 2.92Å |
| 227 | V | 90.8 | Very high | 82.4 | Confident | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.4 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | P148 I149 L151 V196 T197 Q198 L225 | P148-V227 CarbonylContact C-O 3.57Å; I149-V227 HydrophobicContact CB-CB 4.49Å; I149-V227 PolarHBondContact N-O 2.87Å; I149-V227 PolarHBondContact O-N 3.48Å; L151-V227 HydrophobicContact CD1-CG2 4.32Å; V196-V227 HydrophobicContact CG1-CG1 3.8Å; T197-V227 CarbonylContact O-C 3.6Å; T197-V227 WeakPolarHBondContact O-CA 3.23Å; Q198-V227 HydrophobicContact CB-CG2 4.44Å; L225-V227 HydrophobicContact CG-CG2 4.33Å |
| 228 | T | 92.3 | Very high | 84.1 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119 | -180 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | D146 V196 T197 | D146-T228 HydrophobicContact CB-CG2 3.78Å; V196-T228 WeakPolarHBondContact CA-O 3.38Å; T197-T228 PolarHBondContact N-O 3.13Å; T197-T228 PolarHBondContact O-N 3.48Å |
| 229 | V | 90.4 | Very high | 85.5 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.3 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | C147 L171 I193 V196 F231 | C147-V229 PolarHBondContact N-O 2.96Å; C147-V229 PolarHBondContact O-N 3.23Å; L171-V229 HydrophobicContact CD2-CG1 3.81Å; L171-V229 HydrophobicContact CD2-CG2 4.2Å; I193-V229 HydrophobicContact CG2-CG1 4.2Å; V196-V229 HydrophobicContact CG1-CG2 4.34Å; V196-V229 HydrophobicContact CG2-CG1 4.23Å; V196-V229 HydrophobicContact CG2-CG2 4.33Å; V229-F231 HydrophobicContact CB-CD2 4.44Å; V229-F231 HydrophobicContact CB-CE2 3.69Å; V229-F231 HydrophobicContact CB-CZ 3.92Å; V229-F231 HydrophobicContact CG1-CD1 4.37Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.77Å; V229-F231 HydrophobicContact CG1-CE2 3.46Å; V229-F231 VanDerWaalsContact CG1-CE2 3.46Å; V229-F231 HydrophobicContact CG1-CZ 3.27Å |
| 230 | R | 91.5 | Very high | 87 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.7 | 175.7 | -175.7 | 169.5 | -71.8 | 170.8 | -2.4 | 110.2 | H145 D146 V194 N195 | H145-R230 WeakPolarHBondContact O-CA 3.41Å; D146-R230 WeakPolarHBondContact OD1-CB 3.38Å; D146-R230 VanDerWaalsContact OD1-CG 3.32Å; D146-R230 WeakPolarHBondContact OD1-CG 3.33Å; D146-R230 IonicContact OD1-CZ 2.93Å; D146-R230 IonicContact OD1-NE 2.97Å; D146-R230 PolarHBondContact OD1-NE 3.01Å; D146-R230 IonicContact OD1-NH2 3.41Å; D146-R230 PolarHBondContact OD1-NH2 3.36Å; D146-R230 IonicContact OD2-CZ 3.53Å; D146-R230 IonicContact OD2-NE 2.87Å; D146-R230 IonicContact OD2-NH2 3.96Å; D146-R230 PolarHBondContact OD2-NH2 2.82Å; V194-R230 HydrophobicContact CB-CB 4.26Å; V194-R230 HydrophobicContact CB-CG 3.96Å; V194-R230 HydrophobicContact CG2-CG 4.26Å; V194-R230 PolarHBondContact N-O 2.78Å; N195-R230 PolarHBondContact O-N 3.2Å; N195-R230 WeakPolarHBondContact OD1-CB 3.48Å |
| 231 | F | 89.3 | Confident | 88.2 | Confident | 33 Ų | 33 | 61 Ų | 61 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 140.8 | 175.1 | -61.5 | -81.7 | 0 | 0 | 0 | 110.6 | M54 E144 H145 C147 W191 E192 I193 V229 | M54-F231 HydrophobicContact SD-CD2 4.5Å; M54-F231 HydrophobicContact SD-CE2 3.41Å; M54-F231 WeakPolarHBondContact SD-CE2 3.45Å; M54-F231 HydrophobicContact SD-CZ 3.65Å; E144-F231 CarbonylContact C-O 3.46Å; E144-F231 VanDerWaalsContact CA-O 3.24Å; E144-F231 WeakPolarHBondContact CA-O 3.22Å; H145-F231 PolarHBondContact N-O 2.87Å; H145-F231 PolarHBondContact O-N 2.67Å; C147-F231 HydrophobicContact CB-CD2 4.25Å; C147-F231 HydrophobicContact CB-CE2 4.04Å; W191-F231 HydrophobicContact CE3-CB 3.93Å; W191-F231 HydrophobicContact CZ3-CB 4.28Å; E192-F231 CarbonylContact O-C 3.58Å; E192-F231 WeakPolarHBondContact O-CA 3.22Å; I193-F231 HydrophobicContact CD1-CE1 4.47Å; I193-F231 HydrophobicContact CG1-CD1 3.99Å; I193-F231 HydrophobicContact CG1-CE1 3.78Å; V229-F231 HydrophobicContact CB-CD2 4.44Å; V229-F231 HydrophobicContact CB-CE2 3.69Å; V229-F231 HydrophobicContact CB-CZ 3.92Å; V229-F231 HydrophobicContact CG1-CD1 4.37Å; V229-F231 HydrophobicContact CG1-CD2 4.11Å; V229-F231 HydrophobicContact CG1-CE1 3.77Å; V229-F231 HydrophobicContact CG1-CE2 3.46Å; V229-F231 VanDerWaalsContact CG1-CE2 3.46Å; V229-F231 HydrophobicContact CG1-CZ 3.27Å |
| 232 | R | 90.8 | Very high | 88.8 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | 168.9 | 176.3 | -176.9 | -67.1 | 152 | -1.3 | 109.2 | E144 E192 V194 | E144-R232 HydrophobicContact CG-CB 4Å; E144-R232 HydrophobicContact CG-CG 4.01Å; E144-R232 IonicContact OE1-CZ 2.61Å; E144-R232 IonicContact OE1-NE 3.65Å; E144-R232 PolarHBondContact OE1-NE 3.39Å; E144-R232 IonicContact OE1-NH2 2.81Å; E144-R232 PolarHBondContact OE1-NH2 3.47Å; E192-R232 PolarHBondContact N-O 2.88Å; E192-R232 PolarHBondContact O-N 3.36Å; E192-R232 IonicContact OE2-NH1 3.96Å; V194-R232 HydrophobicContact CG2-CB 3.46Å; V194-R232 VanDerWaalsContact CG2-CB 3.46Å |
| 233 | R | 89.3 | Confident | 89.3 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.2 | 171.8 | -166.1 | -178.9 | -56.7 | -88.1 | 1.2 | 110 | D143 W191 I235 | D143-R233 VanDerWaalsContact CG-NE 3.29Å; D143-R233 PolarHBondContact O-N 3.49Å; D143-R233 VanDerWaalsContact OD1-CB 3.24Å; D143-R233 WeakPolarHBondContact OD1-CB 3.33Å; D143-R233 WeakPolarHBondContact OD1-CD 3.46Å; D143-R233 IonicContact OD1-CZ 3.15Å; D143-R233 IonicContact OD1-NE 3.55Å; D143-R233 PolarHBondContact OD1-NE 2.97Å; D143-R233 IonicContact OD2-CZ 3.89Å; D143-R233 IonicContact OD2-NE 2.78Å; D143-R233 PolarHBondContact OD2-NE 2.86Å; D143-R233 IonicContact OD2-NH2 3.82Å; D143-R233 PolarHBondContact OD2-NH2 3.41Å; W191-R233 HydrophobicContact CE3-CB 4Å; W191-R233 HydrophobicContact CH2-CB 4.23Å; W191-R233 HydrophobicContact CZ3-CB 3.7Å; W191-R233 HydrophobicContact CZ3-CG 4.37Å; R233-I235 HydrophobicContact CG-CD1 4.02Å; R233-I235 HydrophobicContact CG-CG1 3.95Å |
| 234 | R | 88.7 | Confident | 89.6 | Confident | 135 Ų | 135 | 61.7 Ų | 61.7 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | trans | -132.2 | 92.1 | -178.9 | -169.9 | 173.2 | 177.5 | -176 | -2.9 | 110.4 | Q190 E192 P236 | Q190-R234 PolarHBondContact O-N 2.93Å; E192-R234 HydrophobicContact CB-CB 4.49Å; E192-R234 IonicContact OE1-CZ 2.72Å; E192-R234 IonicContact OE1-NH1 3.51Å; E192-R234 PolarHBondContact OE1-NH1 2.87Å; R234-P236 VanDerWaalsContact O-CD 3.23Å; R234-P236 WeakPolarHBondContact O-CD 3.43Å | ||
| 235 | I | 89.3 | Confident | 89.8 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | trans | -111.4 | 81.5 | 176.2 | -51.9 | 175 | 0 | 0 | 0 | 109.2 | Y140 P141 Q190 R233 H237 F238 | Y140-I235 HydrophobicContact CE2-CD1 4.17Å; P141-I235 HydrophobicContact CB-CD1 4.3Å; Q190-I235 HydrophobicContact CB-CG1 4.12Å; Q190-I235 HydrophobicContact CG-CG1 4.21Å; R233-I235 HydrophobicContact CG-CD1 4.02Å; R233-I235 HydrophobicContact CG-CG1 3.95Å; I235-H237 VanDerWaalsContact CG2-CE1 3.44Å; I235-H237 WeakPolarHBondContact CG2-CE1 3.49Å; I235-H237 VanDerWaalsContact CG2-NE2 3.32Å; I235-H237 WeakPolarHBondContact CG2-NE2 3.39Å; I235-H237 PolarHBondContact O-N 3.28Å; I235-F238 HydrophobicContact CB-CB 4.06Å; I235-F238 HydrophobicContact CG2-CB 3.73Å; I235-F238 VanDerWaalsContact O-CB 3.24Å; I235-F238 WeakPolarHBondContact O-CB 3.45Å; I235-F238 PolarHBondContact O-N 3.03Å; I235-F238 VanDerWaalsContact O-N 3.13Å | ||
| 236 | P | 86.5 | Confident | 89.7 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.4 | -173.5 | 25.6 | -34.5 | 0 | 0 | 0 | 113.1 | R234 F238 | R234-P236 VanDerWaalsContact O-CD 3.23Å; R234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-F238 PolarHBondContact O-N 3.26Å |
| 237 | H | 88.9 | Confident | 89.7 | Confident | 92 Ų | 92 | 66 Ų | 66 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14 | 179.3 | 54.8 | -89.6 | 0 | 0 | 0 | 113.4 | I235 R239 Y240 T241 | I235-H237 VanDerWaalsContact CG2-CE1 3.44Å; I235-H237 WeakPolarHBondContact CG2-CE1 3.49Å; I235-H237 VanDerWaalsContact CG2-NE2 3.32Å; I235-H237 WeakPolarHBondContact CG2-NE2 3.39Å; I235-H237 PolarHBondContact O-N 3.28Å; H237-R239 PolarHBondContact O-N 2.79Å; H237-R239 VanDerWaalsContact O-N 3.14Å; H237-Y240 PolarHBondContact O-N 3.46Å; H237-T241 HydrophobicContact CB-CG2 4.24Å; H237-T241 PolarHBondContact O-N 3.28Å; H237-T241 PolarHBondContact O-OG1 2.95Å; H237-T241 VanDerWaalsContact O-OG1 3.06Å |
| 238 | F | 89.1 | Confident | 89.8 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.7 | -38.4 | -176.8 | -173.2 | -87.8 | 0 | 0 | 0 | 112.8 | Y140 P141 I235 P236 Y240 V242 V243 I298 | Y140-F238 HydrophobicContact CE1-CD2 4.41Å; Y140-F238 AromaticContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CE2 3.61Å; Y140-F238 HydrophobicContact CE1-CZ 4.08Å; P141-F238 HydrophobicContact CB-CD1 4.25Å; P141-F238 HydrophobicContact CB-CD2 3.94Å; P141-F238 HydrophobicContact CB-CE1 4.45Å; P141-F238 HydrophobicContact CB-CE2 4.18Å; P141-F238 HydrophobicContact CB-CG 3.97Å; P141-F238 HydrophobicContact CB-CZ 4.41Å; P141-F238 HydrophobicContact CG-CB 4.38Å; P141-F238 HydrophobicContact CG-CD1 3.57Å; P141-F238 HydrophobicContact CG-CD2 4.18Å; P141-F238 HydrophobicContact CG-CE1 3.77Å; P141-F238 HydrophobicContact CG-CE2 4.37Å; P141-F238 HydrophobicContact CG-CG 3.77Å; P141-F238 HydrophobicContact CG-CZ 4.17Å; I235-F238 HydrophobicContact CB-CB 4.06Å; I235-F238 HydrophobicContact CG2-CB 3.73Å; I235-F238 VanDerWaalsContact O-CB 3.24Å; I235-F238 WeakPolarHBondContact O-CB 3.45Å; I235-F238 PolarHBondContact O-N 3.03Å; I235-F238 VanDerWaalsContact O-N 3.13Å; P236-F238 VanDerWaalsContact C-N 3.3Å; P236-F238 PolarHBondContact O-N 3.26Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 3.49Å; F238-V242 HydrophobicContact CD1-CB 4.27Å; F238-V242 HydrophobicContact CD2-CB 4.24Å; F238-V242 HydrophobicContact CD2-CG2 3.77Å; F238-V242 HydrophobicContact CE1-CB 4.01Å; F238-V242 HydrophobicContact CE1-CG1 4.07Å; F238-V242 HydrophobicContact CE2-CB 3.96Å; F238-V242 HydrophobicContact CE2-CG1 4.09Å; F238-V242 HydrophobicContact CE2-CG2 3.64Å; F238-V242 HydrophobicContact CG-CB 4.39Å; F238-V242 HydrophobicContact CG-CG2 4.28Å; F238-V242 HydrophobicContact CZ-CB 3.86Å; F238-V242 HydrophobicContact CZ-CG1 3.68Å; F238-V242 HydrophobicContact CZ-CG2 4.07Å; F238-V242 WeakPolarHBondContact O-CB 3.49Å; F238-V242 PolarHBondContact O-N 3.39Å; F238-V243 HydrophobicContact CD1-CG2 3.98Å; F238-V243 HydrophobicContact CE1-CG2 3.82Å; F238-V243 PolarHBondContact O-N 2.99Å; F238-I298 HydrophobicContact CE1-CD1 3.45Å; F238-I298 VanDerWaalsContact CE1-CD1 3.45Å; F238-I298 HydrophobicContact CE1-CG1 4.4Å; F238-I298 HydrophobicContact CZ-CD1 3.48Å; F238-I298 VanDerWaalsContact CZ-CD1 3.48Å; F238-I298 HydrophobicContact CZ-CG1 3.95Å |
| 239 | R | 87.6 | Confident | 89.7 | Confident | 192 Ų | 192 | 67.2 Ų | 67.2 | 73% | 0.725 | 33% | 0.333 | S | S | * | . | I | π-helix | trans | -60.3 | -40.1 | 176.6 | -68.3 | -175.3 | 178.5 | -173.3 | -0.7 | 112.1 | H237 V243 L244 | H237-R239 PolarHBondContact O-N 2.79Å; H237-R239 VanDerWaalsContact O-N 3.14Å; R239-V243 WeakPolarHBondContact O-CB 3.4Å; R239-L244 WeakPolarHBondContact O-CB 3.21Å; R239-L244 PolarHBondContact O-N 2.89Å |
| 240 | Y | 90.4 | Very high | 89.6 | Confident | 171 Ų | 171 | 69.1 Ų | 69.1 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -86.8 | -28.4 | -176.8 | -60 | -68.3 | 0 | 0 | 0 | 113.1 | H237 F238 L244 P245 | H237-Y240 PolarHBondContact O-N 3.46Å; F238-Y240 VanDerWaalsContact C-N 3.29Å; F238-Y240 PolarHBondContact O-N 3.49Å; Y240-L244 HydrophobicContact CD1-CD2 4.48Å; Y240-P245 WeakPolarHBondContact O-CD 3.4Å |
| 241 | T | 89 | Confident | 89.5 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -93.8 | -24.3 | -176.8 | 58 | 0 | 0 | 0 | 0 | 113.7 | H237 P245 | H237-T241 HydrophobicContact CB-CG2 4.24Å; H237-T241 PolarHBondContact O-N 3.28Å; H237-T241 PolarHBondContact O-OG1 2.95Å; H237-T241 VanDerWaalsContact O-OG1 3.06Å; T241-P245 WeakPolarHBondContact O-CG 3.44Å |
| 242 | V | 88.1 | Confident | 89.5 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -118.3 | -59.6 | -175.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | F238 P245 A246 L284 | F238-V242 HydrophobicContact CD1-CB 4.27Å; F238-V242 HydrophobicContact CD2-CB 4.24Å; F238-V242 HydrophobicContact CD2-CG2 3.77Å; F238-V242 HydrophobicContact CE1-CB 4.01Å; F238-V242 HydrophobicContact CE1-CG1 4.07Å; F238-V242 HydrophobicContact CE2-CB 3.96Å; F238-V242 HydrophobicContact CE2-CG1 4.09Å; F238-V242 HydrophobicContact CE2-CG2 3.64Å; F238-V242 HydrophobicContact CG-CB 4.39Å; F238-V242 HydrophobicContact CG-CG2 4.28Å; F238-V242 HydrophobicContact CZ-CB 3.86Å; F238-V242 HydrophobicContact CZ-CG1 3.68Å; F238-V242 HydrophobicContact CZ-CG2 4.07Å; F238-V242 WeakPolarHBondContact O-CB 3.49Å; F238-V242 PolarHBondContact O-N 3.39Å; V242-P245 WeakPolarHBondContact O-CD 3.32Å; V242-A246 WeakPolarHBondContact O-CB 3.17Å; V242-A246 PolarHBondContact O-N 3.37Å; V242-A246 VanDerWaalsContact O-N 3.14Å; V242-L284 HydrophobicContact CB-CD2 4.14Å; V242-L284 HydrophobicContact CG1-CD1 3.79Å; V242-L284 HydrophobicContact CG1-CD2 3.49Å; V242-L284 VanDerWaalsContact CG1-CD2 3.49Å; V242-L284 HydrophobicContact CG1-CG 4.26Å; V242-L284 HydrophobicContact CG2-CD2 3.55Å |
| 243 | V | 88.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -66.2 | -45.1 | -172.7 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | F238 R239 A246 A247 | F238-V243 HydrophobicContact CD1-CG2 3.98Å; F238-V243 HydrophobicContact CE1-CG2 3.82Å; F238-V243 PolarHBondContact O-N 2.99Å; R239-V243 WeakPolarHBondContact O-CB 3.4Å; V243-A246 PolarHBondContact O-N 3.14Å; V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 2.87Å |
| 244 | L | 91 | Very high | 89.2 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.5 | -50.7 | -178.9 | 177 | 68.8 | 0 | 0 | 0 | 112.7 | R239 Y240 A246 A247 V248 | R239-L244 WeakPolarHBondContact O-CB 3.21Å; R239-L244 PolarHBondContact O-N 2.89Å; Y240-L244 HydrophobicContact CD1-CD2 4.48Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.03Å; L244-A247 PolarHBondContact O-N 3.48Å; L244-V248 HydrophobicContact CD1-CG2 4.23Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.91Å |
| 245 | P | 90.9 | Very high | 89.1 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 28% | 0.279 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.7 | -28.4 | 37.4 | 0 | 0 | 0 | 113.7 | Y240 T241 V242 V248 A249 L280 | Y240-P245 WeakPolarHBondContact O-CD 3.4Å; T241-P245 WeakPolarHBondContact O-CG 3.44Å; V242-P245 WeakPolarHBondContact O-CD 3.32Å; P245-V248 PolarHBondContact O-N 3.23Å; P245-A249 WeakPolarHBondContact O-CB 3.3Å; P245-A249 PolarHBondContact O-N 3.24Å; P245-L280 HydrophobicContact CB-CD1 4.15Å |
| 246 | A | 89.5 | Confident | 88.9 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V242 V243 L244 A249 A250 | V242-A246 WeakPolarHBondContact O-CB 3.17Å; V242-A246 PolarHBondContact O-N 3.37Å; V242-A246 VanDerWaalsContact O-N 3.14Å; V243-A246 PolarHBondContact O-N 3.14Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 3.03Å; A246-A249 PolarHBondContact O-N 3.25Å; A246-A250 WeakPolarHBondContact O-CB 3.33Å; A246-A250 PolarHBondContact O-N 3.28Å |
| 247 | A | 91.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V243 L244 A250 T251 | V243-A247 WeakPolarHBondContact O-CB 3.29Å; V243-A247 PolarHBondContact O-N 2.87Å; L244-A247 PolarHBondContact O-N 3.48Å; A247-A250 PolarHBondContact O-N 2.87Å; A247-T251 WeakPolarHBondContact O-CG2 3.49Å; A247-T251 PolarHBondContact O-N 3.35Å; A247-T251 PolarHBondContact O-OG1 3.39Å |
| 248 | V | 92.1 | Very high | 88.5 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L244 P245 A250 T251 F252 | L244-V248 HydrophobicContact CD1-CG2 4.23Å; L244-V248 VanDerWaalsContact O-CG2 3.31Å; L244-V248 WeakPolarHBondContact O-CG2 3.44Å; L244-V248 PolarHBondContact O-N 2.91Å; P245-V248 PolarHBondContact O-N 3.23Å; V248-A250 VanDerWaalsContact C-N 3.31Å; V248-A250 PolarHBondContact O-N 2.9Å; V248-T251 WeakPolarHBondContact CA-OG1 3.35Å; V248-T251 PolarHBondContact O-N 2.93Å; V248-T251 VanDerWaalsContact O-N 3.15Å; V248-T251 PolarHBondContact O-OG1 3.06Å; V248-F252 HydrophobicContact CG1-CD2 3.74Å; V248-F252 HydrophobicContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.3Å; V248-F252 PolarHBondContact O-N 3.18Å |
| 249 | A | 90.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 83.2 Ų | 83.2 | 3% | 0.025 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.2 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P245 A246 F252 N253 N273 Q277 | P245-A249 WeakPolarHBondContact O-CB 3.3Å; P245-A249 PolarHBondContact O-N 3.24Å; A246-A249 PolarHBondContact O-N 3.25Å; A249-F252 PolarHBondContact O-N 3.18Å; A249-N253 PolarHBondContact O-N 2.9Å; A249-N253 VanDerWaalsContact O-N 3.15Å; A249-N273 WeakPolarHBondContact CB-OD1 3.27Å; A249-N273 PolarHBondContact O-ND2 2.92Å; A249-Q277 HydrophobicContact CB-CG 3.9Å |
| 250 | A | 89 | Confident | 87.1 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 40% | 0.397 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A246 A247 V248 F252 N253 T254 | A246-A250 WeakPolarHBondContact O-CB 3.33Å; A246-A250 PolarHBondContact O-N 3.28Å; A247-A250 PolarHBondContact O-N 2.87Å; V248-A250 VanDerWaalsContact C-N 3.31Å; V248-A250 PolarHBondContact O-N 2.9Å; A250-F252 PolarHBondContact O-N 3.27Å; A250-N253 WeakPolarHBondContact O-CB 3.33Å; A250-N253 PolarHBondContact O-N 3.45Å; A250-T254 PolarHBondContact O-N 3.14Å; A250-T254 VanDerWaalsContact O-N 3.11Å |
| 251 | T | 90.2 | Very high | 86.3 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 174.9 | 59.7 | 0 | 0 | 0 | 0 | 112 | A247 V248 N253 T254 V255 | A247-T251 WeakPolarHBondContact O-CG2 3.49Å; A247-T251 PolarHBondContact O-N 3.35Å; A247-T251 PolarHBondContact O-OG1 3.39Å; V248-T251 WeakPolarHBondContact CA-OG1 3.35Å; V248-T251 PolarHBondContact O-N 2.93Å; V248-T251 VanDerWaalsContact O-N 3.15Å; V248-T251 PolarHBondContact O-OG1 3.06Å; T251-N253 VanDerWaalsContact C-N 3.29Å; T251-N253 PolarHBondContact O-N 2.73Å; T251-T254 PolarHBondContact O-N 3.4Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 2.98Å; T251-V255 WeakPolarHBondContact O-CG2 3.34Å; T251-V255 PolarHBondContact O-N 3.27Å |
| 252 | F | 88.6 | Confident | 86.1 | Confident | 109 Ų | 109 | 75.1 Ų | 75.1 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.4 | -39.6 | 174 | -84.6 | -70.8 | 0 | 0 | 0 | 112.6 | V248 A249 A250 V255 A256 | V248-F252 HydrophobicContact CG1-CD2 3.74Å; V248-F252 HydrophobicContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact CG1-CE2 3.5Å; V248-F252 VanDerWaalsContact O-CD2 3.23Å; V248-F252 WeakPolarHBondContact O-CD2 3.3Å; V248-F252 PolarHBondContact O-N 3.18Å; A249-F252 PolarHBondContact O-N 3.18Å; A250-F252 PolarHBondContact O-N 3.27Å; F252-V255 PolarHBondContact O-N 2.95Å; F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.89Å |
| 253 | N | 87.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 25% | 0.251 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.7 | -73.9 | -20.4 | 0 | 0 | 0 | 111.7 | A249 A250 T251 A256 M257 L270 N273 Q277 | A249-N253 PolarHBondContact O-N 2.9Å; A249-N253 VanDerWaalsContact O-N 3.15Å; A250-N253 WeakPolarHBondContact O-CB 3.33Å; A250-N253 PolarHBondContact O-N 3.45Å; T251-N253 VanDerWaalsContact C-N 3.29Å; T251-N253 PolarHBondContact O-N 2.73Å; N253-A256 PolarHBondContact O-N 3.24Å; N253-M257 WeakPolarHBondContact O-CG 3.32Å; N253-M257 PolarHBondContact O-N 2.91Å; N253-L270 WeakPolarHBondContact OD1-CD2 3.38Å; N253-N273 VanDerWaalsContact CG-ND2 3.34Å; N253-N273 PolarHBondContact OD1-ND2 2.93Å; N253-Q277 PolarHBondContact ND2-NE2 3.34Å; N253-Q277 VanDerWaalsContact ND2-NE2 3.17Å |
| 254 | T | 87 | Confident | 85.7 | Confident | 98 Ų | 98 | 84 Ų | 84 | 60% | 0.601 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | A250 T251 M257 | A250-T254 PolarHBondContact O-N 3.14Å; A250-T254 VanDerWaalsContact O-N 3.11Å; T251-T254 PolarHBondContact O-N 3.4Å; T251-T254 VanDerWaalsContact O-N 3.13Å; T251-T254 PolarHBondContact O-OG1 2.98Å; T254-M257 PolarHBondContact O-N 3.48Å |
| 255 | V | 86.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 84.6 Ų | 84.6 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.3 | -38.6 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | T251 F252 M257 Y258 | T251-V255 WeakPolarHBondContact O-CG2 3.34Å; T251-V255 PolarHBondContact O-N 3.27Å; F252-V255 PolarHBondContact O-N 2.95Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 3.43Å; V255-Y258 VanDerWaalsContact O-CB 3.31Å; V255-Y258 WeakPolarHBondContact O-CB 3.36Å; V255-Y258 PolarHBondContact O-N 2.88Å |
| 256 | A | 84.6 | Confident | 85.2 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 8% | 0.083 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.5 | -30.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F252 N253 Y258 S261 T266 V269 L270 | F252-A256 WeakPolarHBondContact O-CB 3.45Å; F252-A256 PolarHBondContact O-N 2.89Å; N253-A256 PolarHBondContact O-N 3.24Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.34Å; A256-S261 PolarHBondContact O-OG 3.2Å; A256-T266 HydrophobicContact CB-CG2 4.44Å; A256-T266 WeakPolarHBondContact O-CG2 3.43Å; A256-V269 HydrophobicContact CB-CB 4.38Å; A256-V269 HydrophobicContact CB-CG1 4.03Å; A256-L270 HydrophobicContact CB-CD2 3.69Å; A256-L270 HydrophobicContact CB-CG 3.94Å |
| 257 | M | 82.5 | Confident | 85 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 74% | 0.739 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 7.7 | 178.2 | -63.5 | -170.1 | 86.3 | 0 | 0 | 114.1 | N253 T254 V255 | N253-M257 WeakPolarHBondContact O-CG 3.32Å; N253-M257 PolarHBondContact O-N 2.91Å; T254-M257 PolarHBondContact O-N 3.48Å; V255-M257 VanDerWaalsContact C-N 3.26Å; V255-M257 PolarHBondContact O-N 3.43Å |
| 258 | Y | 84.9 | Confident | 84.8 | Confident | 153 Ų | 153 | 89 Ų | 89 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | trans | -62.6 | 135.4 | 178.5 | -171.8 | -102.7 | 0 | 0 | 0 | 111.4 | V255 A256 S260 S261 | V255-Y258 VanDerWaalsContact O-CB 3.31Å; V255-Y258 WeakPolarHBondContact O-CB 3.36Å; V255-Y258 PolarHBondContact O-N 2.88Å; A256-Y258 VanDerWaalsContact C-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.34Å; Y258-S260 VanDerWaalsContact CD1-OG 3.22Å; Y258-S260 WeakPolarHBondContact CD1-OG 3.42Å; Y258-S260 VanDerWaalsContact CE1-OG 3.25Å; Y258-S260 WeakPolarHBondContact CE1-OG 3.35Å; Y258-S260 PolarHBondContact O-N 3.17Å; Y258-S261 PolarHBondContact O-N 3.45Å; Y258-S261 VanDerWaalsContact O-N 3.07Å; Y258-S261 PolarHBondContact O-OG 3.48Å | ||
| 259 | P | 71.8 | Confident | 84.5 | Confident | 126 Ų | 126 | 88.7 Ų | 88.7 | 82% | 0.818 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.8 | -164.8 | -25.7 | 34.1 | 0 | 0 | 0 | 116.8 | ||
| 260 | S | 74.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 91 Ų | 91 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7.5 | -179.4 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | Y258 | Y258-S260 VanDerWaalsContact CD1-OG 3.22Å; Y258-S260 WeakPolarHBondContact CD1-OG 3.42Å; Y258-S260 VanDerWaalsContact CE1-OG 3.25Å; Y258-S260 WeakPolarHBondContact CE1-OG 3.35Å; Y258-S260 PolarHBondContact O-N 3.17Å |
| 261 | S | 74.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 95 Ų | 95 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | trans | -81.9 | 134 | -176.5 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | A256 Y258 F263 T266 | A256-S261 PolarHBondContact O-OG 3.2Å; Y258-S261 PolarHBondContact O-N 3.45Å; Y258-S261 VanDerWaalsContact O-N 3.07Å; Y258-S261 PolarHBondContact O-OG 3.48Å; S261-F263 PolarHBondContact O-N 3.11Å; S261-T266 WeakPolarHBondContact CB-OG1 3.42Å; S261-T266 PolarHBondContact OG-OG1 3.39Å | ||
| 262 | N | 83.5 | Confident | 84.6 | Confident | 126 Ų | 126 | 94.7 Ų | 94.7 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | trans | -63.8 | 133.5 | 172.1 | -75.8 | -38.1 | 0 | 0 | 0 | 109.8 | L264 L265 T266 | N262-L264 PolarHBondContact O-N 3.15Å; N262-L264 VanDerWaalsContact O-N 3.1Å; N262-L265 HydrophobicContact CB-CB 4.32Å; N262-L265 WeakPolarHBondContact O-CB 3.49Å; N262-L265 PolarHBondContact O-N 2.91Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 3.41Å | ||
| 263 | F | 85.3 | Confident | 84.7 | Confident | 159 Ų | 159 | 90.2 Ų | 90.2 | 70% | 0.697 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -48.6 | -43.3 | -179.2 | 179 | -105.3 | 0 | 0 | 0 | 113.6 | S261 L265 T266 L267 | S261-F263 PolarHBondContact O-N 3.11Å; F263-L265 PolarHBondContact O-N 2.89Å; F263-T266 PolarHBondContact O-N 3.28Å; F263-L267 HydrophobicContact CD1-CD1 4.03Å; F263-L267 HydrophobicContact CE1-CD1 3.38Å; F263-L267 HydrophobicContact CE1-CG 4.17Å; F263-L267 HydrophobicContact CE2-CD1 4.38Å; F263-L267 HydrophobicContact CE2-CG 4.39Å; F263-L267 HydrophobicContact CZ-CD1 3.6Å; F263-L267 HydrophobicContact CZ-CD2 4.35Å; F263-L267 HydrophobicContact CZ-CG 4.07Å; F263-L267 PolarHBondContact O-N 2.73Å |
| 264 | L | 84.7 | Confident | 85 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 178.9 | -174.6 | 65.5 | 0 | 0 | 0 | 112.4 | N262 T266 L267 M268 | N262-L264 PolarHBondContact O-N 3.15Å; N262-L264 VanDerWaalsContact O-N 3.1Å; L264-T266 VanDerWaalsContact C-N 3.35Å; L264-L267 PolarHBondContact O-N 2.67Å; L264-M268 HydrophobicContact CD1-CE 4.27Å; L264-M268 VanDerWaalsContact O-CG 3.23Å; L264-M268 WeakPolarHBondContact O-CG 3.5Å; L264-M268 PolarHBondContact O-N 3.31Å; L264-M268 VanDerWaalsContact O-N 3.09Å |
| 265 | L | 83.8 | Confident | 85.2 | Confident | 106 Ų | 106 | 92.1 Ų | 92.1 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -41.4 | 178.6 | -177.4 | 66.2 | 0 | 0 | 0 | 110.5 | N262 F263 L267 M268 V269 | N262-L265 HydrophobicContact CB-CB 4.32Å; N262-L265 WeakPolarHBondContact O-CB 3.49Å; N262-L265 PolarHBondContact O-N 2.91Å; F263-L265 PolarHBondContact O-N 2.89Å; L265-L267 PolarHBondContact O-N 3.48Å; L265-M268 PolarHBondContact O-N 3.48Å; L265-V269 WeakPolarHBondContact O-CG2 3.35Å; L265-V269 PolarHBondContact O-N 3.3Å; L265-V269 VanDerWaalsContact O-N 3.11Å |
| 266 | T | 86.6 | Confident | 85.4 | Confident | 23 Ų | 23 | 91.7 Ų | 91.7 | 14% | 0.141 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | A256 S261 N262 F263 L264 M268 V269 L270 | A256-T266 HydrophobicContact CB-CG2 4.44Å; A256-T266 WeakPolarHBondContact O-CG2 3.43Å; S261-T266 WeakPolarHBondContact CB-OG1 3.42Å; S261-T266 PolarHBondContact OG-OG1 3.39Å; N262-T266 PolarHBondContact O-N 3.37Å; N262-T266 PolarHBondContact O-OG1 3.41Å; F263-T266 PolarHBondContact O-N 3.28Å; L264-T266 VanDerWaalsContact C-N 3.35Å; T266-M268 PolarHBondContact O-N 3.35Å; T266-V269 PolarHBondContact O-N 2.88Å; T266-L270 HydrophobicContact CG2-CD1 3.65Å; T266-L270 HydrophobicContact CG2-CG 4.23Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 VanDerWaalsContact O-CG 3.31Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 2.9Å |
| 267 | L | 85.9 | Confident | 85.7 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.6 | -72.8 | -179.4 | 0 | 0 | 0 | 112.8 | F263 L264 L265 V269 L270 F271 | F263-L267 HydrophobicContact CD1-CD1 4.03Å; F263-L267 HydrophobicContact CE1-CD1 3.38Å; F263-L267 HydrophobicContact CE1-CG 4.17Å; F263-L267 HydrophobicContact CE2-CD1 4.38Å; F263-L267 HydrophobicContact CE2-CG 4.39Å; F263-L267 HydrophobicContact CZ-CD1 3.6Å; F263-L267 HydrophobicContact CZ-CD2 4.35Å; F263-L267 HydrophobicContact CZ-CG 4.07Å; F263-L267 PolarHBondContact O-N 2.73Å; L264-L267 PolarHBondContact O-N 2.67Å; L265-L267 PolarHBondContact O-N 3.48Å; L267-V269 PolarHBondContact O-N 2.99Å; L267-L270 PolarHBondContact O-N 2.91Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.28Å; L267-F271 VanDerWaalsContact O-N 3.13Å |
| 268 | M | 86.3 | Confident | 86.1 | Confident | 131 Ų | 131 | 90 Ų | 90 | 65% | 0.645 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65 | -25.3 | -180 | -70.3 | -67.4 | -172.2 | 0 | 0 | 113 | L264 L265 T266 P272 | L264-M268 HydrophobicContact CD1-CE 4.27Å; L264-M268 VanDerWaalsContact O-CG 3.23Å; L264-M268 WeakPolarHBondContact O-CG 3.5Å; L264-M268 PolarHBondContact O-N 3.31Å; L264-M268 VanDerWaalsContact O-N 3.09Å; L265-M268 PolarHBondContact O-N 3.48Å; T266-M268 PolarHBondContact O-N 3.35Å; M268-P272 WeakPolarHBondContact O-CD 3.23Å; M268-P272 VanDerWaalsContact O-CG 3.26Å; M268-P272 WeakPolarHBondContact O-CG 3.48Å |
| 269 | V | 86.5 | Confident | 86.4 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -89 | -45.9 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | A256 L265 T266 L267 N273 | A256-V269 HydrophobicContact CB-CB 4.38Å; A256-V269 HydrophobicContact CB-CG1 4.03Å; L265-V269 WeakPolarHBondContact O-CG2 3.35Å; L265-V269 PolarHBondContact O-N 3.3Å; L265-V269 VanDerWaalsContact O-N 3.11Å; T266-V269 PolarHBondContact O-N 2.88Å; L267-V269 PolarHBondContact O-N 2.99Å; V269-N273 WeakPolarHBondContact O-CB 3.31Å; V269-N273 PolarHBondContact O-N 3.34Å |
| 270 | L | 89.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | -173.5 | -70.6 | 179.1 | 0 | 0 | 0 | 112.8 | N253 A256 T266 L267 N273 L274 | N253-L270 WeakPolarHBondContact OD1-CD2 3.38Å; A256-L270 HydrophobicContact CB-CD2 3.69Å; A256-L270 HydrophobicContact CB-CG 3.94Å; T266-L270 HydrophobicContact CG2-CD1 3.65Å; T266-L270 HydrophobicContact CG2-CG 4.23Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 VanDerWaalsContact O-CG 3.31Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 2.91Å; L270-N273 PolarHBondContact O-N 2.91Å; L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 3.43Å |
| 271 | F | 89.6 | Confident | 87.7 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 59% | 0.588 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66 | -49.6 | -175.9 | -179.2 | -95.5 | 0 | 0 | 0 | 113.1 | L267 N273 L274 L275 | L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.28Å; L267-F271 VanDerWaalsContact O-N 3.13Å; F271-N273 VanDerWaalsContact C-N 3.31Å; F271-N273 PolarHBondContact O-N 2.91Å; F271-L274 PolarHBondContact O-N 2.96Å; F271-L275 HydrophobicContact CD1-CD1 4.08Å; F271-L275 HydrophobicContact CE1-CD1 3.56Å; F271-L275 HydrophobicContact CE1-CG 4.32Å; F271-L275 HydrophobicContact CZ-CD1 4.01Å; F271-L275 HydrophobicContact CZ-CG 4.44Å; F271-L275 PolarHBondContact O-N 3.02Å; F271-L275 VanDerWaalsContact O-N 3.13Å |
| 272 | P | 91.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 174.1 | -22.8 | 35.2 | 0 | 0 | 0 | 113.2 | M268 L275 L276 | M268-P272 WeakPolarHBondContact O-CD 3.23Å; M268-P272 VanDerWaalsContact O-CG 3.26Å; M268-P272 WeakPolarHBondContact O-CG 3.48Å; P272-L275 PolarHBondContact O-N 3.35Å; P272-L276 PolarHBondContact O-N 3.44Å |
| 273 | N | 92.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 8% | 0.075 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 178.2 | -166.5 | 45.2 | 0 | 0 | 0 | 111.8 | A249 N253 V269 L270 F271 L276 Q277 | A249-N273 WeakPolarHBondContact CB-OD1 3.27Å; A249-N273 PolarHBondContact O-ND2 2.92Å; N253-N273 VanDerWaalsContact CG-ND2 3.34Å; N253-N273 PolarHBondContact OD1-ND2 2.93Å; V269-N273 WeakPolarHBondContact O-CB 3.31Å; V269-N273 PolarHBondContact O-N 3.34Å; L270-N273 PolarHBondContact O-N 2.91Å; F271-N273 VanDerWaalsContact C-N 3.31Å; F271-N273 PolarHBondContact O-N 2.91Å; N273-L276 PolarHBondContact O-N 3.3Å; N273-Q277 WeakPolarHBondContact O-CG 3.44Å; N273-Q277 PolarHBondContact O-N 3.23Å |
| 274 | L | 91.9 | Very high | 88.4 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 173.7 | -178.8 | 65.1 | 0 | 0 | 0 | 111.4 | L270 F271 L276 Q277 C278 | L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 3.43Å; F271-L274 PolarHBondContact O-N 2.96Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.38Å; L274-Q277 PolarHBondContact O-N 2.74Å; L274-C278 PolarHBondContact O-N 3.15Å; L274-C278 PolarHBondContact O-SG 2.88Å |
| 275 | L | 92.2 | Very high | 88.2 | Confident | 91 Ų | 91 | 78.7 Ų | 78.7 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 175.7 | -70 | 176.8 | 0 | 0 | 0 | 111.7 | F271 P272 C278 V279 | F271-L275 HydrophobicContact CD1-CD1 4.08Å; F271-L275 HydrophobicContact CE1-CD1 3.56Å; F271-L275 HydrophobicContact CE1-CG 4.32Å; F271-L275 HydrophobicContact CZ-CD1 4.01Å; F271-L275 HydrophobicContact CZ-CG 4.44Å; F271-L275 PolarHBondContact O-N 3.02Å; F271-L275 VanDerWaalsContact O-N 3.13Å; P272-L275 PolarHBondContact O-N 3.35Å; L275-C278 PolarHBondContact O-N 2.99Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.4Å |
| 276 | L | 90.2 | Very high | 88.1 | Confident | 92 Ų | 92 | 82 Ų | 82 | 48% | 0.482 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.6 | -179.9 | 62.9 | 0 | 0 | 0 | 111.7 | P272 N273 L274 C278 V279 L280 | P272-L276 PolarHBondContact O-N 3.44Å; N273-L276 PolarHBondContact O-N 3.3Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 3.38Å; L276-C278 PolarHBondContact O-N 3.47Å; L276-V279 PolarHBondContact O-N 3.21Å; L276-L280 HydrophobicContact CD1-CD1 4.39Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.43Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.13Å |
| 277 | Q | 91.4 | Very high | 87.7 | Confident | 50 Ų | 50 | 84.8 Ų | 84.8 | 23% | 0.234 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.9 | -74.1 | 175.7 | -20.4 | 0 | 0 | 112.1 | A249 N253 N273 L274 L280 T281 | A249-Q277 HydrophobicContact CB-CG 3.9Å; N253-Q277 PolarHBondContact ND2-NE2 3.34Å; N253-Q277 VanDerWaalsContact ND2-NE2 3.17Å; N273-Q277 WeakPolarHBondContact O-CG 3.44Å; N273-Q277 PolarHBondContact O-N 3.23Å; L274-Q277 PolarHBondContact O-N 2.74Å; Q277-L280 PolarHBondContact O-N 3.47Å; Q277-T281 VanDerWaalsContact O-CB 3.32Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 2.94Å; Q277-T281 PolarHBondContact O-OG1 3.34Å |
| 278 | C | 91.4 | Very high | 87.1 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 49% | 0.493 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -44 | 174.7 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | L274 L275 L276 T281 A282 | L274-C278 PolarHBondContact O-N 3.15Å; L274-C278 PolarHBondContact O-SG 2.88Å; L275-C278 PolarHBondContact O-N 2.99Å; L276-C278 PolarHBondContact O-N 3.47Å; C278-T281 PolarHBondContact O-N 3.41Å; C278-A282 WeakPolarHBondContact O-CB 3.31Å; C278-A282 PolarHBondContact O-N 3.13Å |
| 279 | V | 90.8 | Very high | 86.3 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 61% | 0.606 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.9 | -45.3 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L275 L276 T281 A282 Y283 | L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.4Å; L276-V279 PolarHBondContact O-N 3.21Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.38Å; V279-A282 PolarHBondContact O-N 3.13Å; V279-Y283 PolarHBondContact O-N 3.34Å |
| 280 | L | 87.4 | Confident | 85.2 | Confident | 50 Ų | 50 | 81.4 Ų | 81.4 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.6 | -72.9 | 171.1 | 0 | 0 | 0 | 111.5 | P245 L276 Q277 Y283 L284 | P245-L280 HydrophobicContact CB-CD1 4.15Å; L276-L280 HydrophobicContact CD1-CD1 4.39Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.11Å; L276-L280 WeakPolarHBondContact O-CB 3.43Å; L276-L280 WeakPolarHBondContact O-CG 3.33Å; L276-L280 PolarHBondContact O-N 3.13Å; Q277-L280 PolarHBondContact O-N 3.47Å; L280-Y283 WeakPolarHBondContact O-CB 3.47Å; L280-Y283 PolarHBondContact O-N 2.89Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3Å |
| 281 | T | 87.2 | Confident | 83.6 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 45% | 0.454 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | Q277 C278 V279 Y283 L284 L285 | Q277-T281 VanDerWaalsContact O-CB 3.32Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 2.94Å; Q277-T281 PolarHBondContact O-OG1 3.34Å; C278-T281 PolarHBondContact O-N 3.41Å; V279-T281 VanDerWaalsContact C-N 3.35Å; V279-T281 PolarHBondContact O-N 3.38Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.18Å; T281-L284 PolarHBondContact O-N 3.03Å; T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 HydrophobicContact CG2-CG 4.33Å; T281-L285 WeakPolarHBondContact O-CB 3.31Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.5Å |
| 282 | A | 87.9 | Confident | 81.9 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | C278 V279 K286 | C278-A282 WeakPolarHBondContact O-CB 3.31Å; C278-A282 PolarHBondContact O-N 3.13Å; V279-A282 PolarHBondContact O-N 3.13Å; A282-K286 PolarHBondContact O-N 2.92Å |
| 283 | Y | 86.2 | Confident | 80.1 | Confident | 142 Ų | 142 | 76.1 Ų | 76.1 | 56% | 0.557 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 174.3 | -175.5 | -99.3 | 0 | 0 | 0 | 111.6 | V279 L280 T281 L285 K286 D287 | V279-Y283 PolarHBondContact O-N 3.34Å; L280-Y283 WeakPolarHBondContact O-CB 3.47Å; L280-Y283 PolarHBondContact O-N 2.89Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.18Å; Y283-L285 PolarHBondContact O-N 3.07Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.3Å; Y283-D287 VanDerWaalsContact CE1-OD2 3.27Å; Y283-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y283-D287 PolarHBondContact O-N 3.5Å; Y283-D287 PolarHBondContact OH-OD2 3.46Å |
| 284 | L | 83 | Confident | 78.5 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177 | -69.3 | 170.9 | 0 | 0 | 0 | 112.8 | V242 L280 T281 K286 D287 M288 | V242-L284 HydrophobicContact CB-CD2 4.14Å; V242-L284 HydrophobicContact CG1-CD1 3.79Å; V242-L284 HydrophobicContact CG1-CD2 3.49Å; V242-L284 VanDerWaalsContact CG1-CD2 3.49Å; V242-L284 HydrophobicContact CG1-CG 4.26Å; V242-L284 HydrophobicContact CG2-CD2 3.55Å; L280-L284 VanDerWaalsContact O-CG 3.3Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3Å; T281-L284 PolarHBondContact O-N 3.03Å; L284-K286 PolarHBondContact O-N 3.38Å; L284-D287 PolarHBondContact O-N 2.95Å; L284-M288 HydrophobicContact CB-CE 4.4Å; L284-M288 WeakPolarHBondContact O-CB 3.44Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.22Å; L284-M288 PolarHBondContact O-N 3.32Å |
| 285 | L | 81.5 | Confident | 76.9 | Confident | 116 Ų | 116 | 78.9 Ų | 78.9 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.5 | -26.5 | 177.9 | -73.7 | 169 | 0 | 0 | 0 | 112.4 | T281 Y283 M288 | T281-L285 HydrophobicContact CG2-CD1 3.98Å; T281-L285 HydrophobicContact CG2-CG 4.33Å; T281-L285 WeakPolarHBondContact O-CB 3.31Å; T281-L285 VanDerWaalsContact O-CG 3.3Å; T281-L285 WeakPolarHBondContact O-CG 3.4Å; T281-L285 PolarHBondContact O-N 3.5Å; Y283-L285 PolarHBondContact O-N 3.07Å; L285-M288 HydrophobicContact CD2-CE 3.67Å; L285-M288 HydrophobicContact CG-CE 4.21Å |
| 286 | K | 81.1 | Confident | 75.4 | Confident | 175 Ų | 175 | 75 Ų | 75 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -76.7 | -36.3 | 176.3 | -171.7 | 179.9 | 177.6 | -177.2 | 0 | 112.7 | A282 Y283 L284 | A282-K286 PolarHBondContact O-N 2.92Å; Y283-K286 WeakPolarHBondContact O-CB 3.45Å; Y283-K286 PolarHBondContact O-N 3.3Å; L284-K286 PolarHBondContact O-N 3.38Å |
| 287 | D | 77.3 | Confident | 74.2 | Confident | 81 Ų | 81 | 78.4 Ų | 78.4 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -91.3 | -19.7 | -175.5 | -74.1 | -3.9 | 0 | 0 | 0 | 113 | Y283 L284 | Y283-D287 VanDerWaalsContact CE1-OD2 3.27Å; Y283-D287 WeakPolarHBondContact CE1-OD2 3.45Å; Y283-D287 PolarHBondContact O-N 3.5Å; Y283-D287 PolarHBondContact OH-OD2 3.46Å; L284-D287 PolarHBondContact O-N 2.95Å |
| 288 | M | 74.2 | Confident | 72.8 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -67.4 | 135.3 | 178.4 | -80.5 | -171.3 | -66.1 | 0 | 0 | 111.4 | Y140 L284 L285 I290 P296 I298 | Y140-M288 HydrophobicContact CE1-CG 4.19Å; L284-M288 HydrophobicContact CB-CE 4.4Å; L284-M288 WeakPolarHBondContact O-CB 3.44Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.22Å; L284-M288 PolarHBondContact O-N 3.32Å; L285-M288 HydrophobicContact CD2-CE 3.67Å; L285-M288 HydrophobicContact CG-CE 4.21Å; M288-I290 PolarHBondContact O-N 3.44Å; M288-P296 HydrophobicContact SD-CB 4.42Å; M288-P296 HydrophobicContact SD-CG 4.27Å; M288-I298 HydrophobicContact SD-CG2 3.73Å |
| 289 | P | 68.5 | Low | 71.3 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 21% | 0.214 | 42% | 0.42 | C | S | . | . | trans | -62.3 | 138.3 | 170.8 | 28.3 | -34.1 | 0 | 0 | 0 | 108.9 | A137 Y140 A291 | A137-P289 HydrophobicContact CB-CB 4.31Å; A137-P289 HydrophobicContact CB-CG 3.48Å; A137-P289 VanDerWaalsContact CB-CG 3.48Å; Y140-P289 HydrophobicContact CD2-CG 4.08Å; P289-A291 VanDerWaalsContact C-N 3.33Å; P289-A291 PolarHBondContact O-N 3.06Å | ||
| 290 | I | 63.6 | Low | 70 | Confident | 133 Ų | 133 | 79.4 Ų | 79.4 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | trans | -70 | 96.1 | 174.8 | -49.3 | 173.9 | 0 | 0 | 0 | 106.8 | I50 M288 | I50-I290 HydrophobicContact CD1-CB 3.7Å; I50-I290 HydrophobicContact CD1-CG2 3.27Å; M288-I290 PolarHBondContact O-N 3.44Å | ||
| 291 | A | 56.8 | Low | 68.6 | Low | 26 Ų | 26 | 89 Ų | 89 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | trans | -80.2 | 133.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A137 P289 E294 P296 | A137-A291 HydrophobicContact CB-CB 3.99Å; P289-A291 VanDerWaalsContact C-N 3.33Å; P289-A291 PolarHBondContact O-N 3.06Å; A291-E294 WeakPolarHBondContact CB-O 3.25Å; A291-P296 HydrophobicContact CB-CG 4.41Å | ||
| 292 | T | 53.2 | Low | 67.7 | Low | 50 Ų | 50 | 89.8 Ų | 89.8 | 31% | 0.307 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -98 | -25 | -172.9 | 48.3 | 0 | 0 | 0 | 0 | 114.5 | T48 I50 | T48-T292 VanDerWaalsContact O-CB 3.23Å; T48-T292 WeakPolarHBondContact O-CB 3.47Å; T48-T292 WeakPolarHBondContact O-CG2 3.42Å; I50-T292 HydrophobicContact CB-CG2 3.39Å; I50-T292 HydrophobicContact CD1-CG2 3.47Å; I50-T292 VanDerWaalsContact CD1-CG2 3.47Å; I50-T292 HydrophobicContact CG1-CG2 3.31Å |
| 293 | A | 53.5 | Low | 66.6 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -87.9 | -51.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 294 | E | 59.5 | Low | 65.5 | Low | 111 Ų | 111 | 88.5 Ų | 88.5 | 52% | 0.519 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -146.9 | 144.4 | -179.9 | -68.9 | -167.5 | 166.5 | 0 | 0 | 110.8 | A291 | A291-E294 WeakPolarHBondContact CB-O 3.25Š|
| 295 | A | 58.2 | Low | 64.5 | Low | 56 Ų | 56 | 91.2 Ų | 91.2 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | trans | -58.5 | 133.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R297 S299 | A295-R297 PolarHBondContact O-N 3.05Å; A295-S299 WeakPolarHBondContact CB-OG 3.45Å | ||
| 296 | P | 59.9 | Low | 63.4 | Low | 10 Ų | 10 | 89.7 Ų | 89.7 | 7% | 0.065 | 45% | 0.453 | C | S | . | . | trans | -47 | 140.5 | 178.1 | -32.4 | 38 | 0 | 0 | 0 | 112.4 | M288 A291 I298 S299 | M288-P296 HydrophobicContact SD-CB 4.42Å; M288-P296 HydrophobicContact SD-CG 4.27Å; A291-P296 HydrophobicContact CB-CG 4.41Å; P296-I298 HydrophobicContact CB-CG2 3.83Å; P296-I298 PolarHBondContact O-N 3.47Å; P296-S299 WeakPolarHBondContact O-CB 3.23Å; P296-S299 PolarHBondContact O-N 3.49Å; P296-S299 PolarHBondContact O-OG 3.1Å | ||
| 297 | R | 65.3 | Low | 62.2 | Low | 162 Ų | 162 | 84 Ų | 84 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -52.3 | -31.8 | 178.9 | -77.1 | 178.2 | 178.7 | -166.2 | 1 | 113.4 | S138 A295 S299 K300 Y301 | S138-R297 WeakPolarHBondContact O-CG 3.43Å; S138-R297 PolarHBondContact O-N 3.35Å; A295-R297 PolarHBondContact O-N 3.05Å; R297-S299 PolarHBondContact O-N 2.92Å; R297-K300 WeakPolarHBondContact O-CB 3.26Å; R297-K300 PolarHBondContact O-N 3.11Å; R297-K300 VanDerWaalsContact O-N 3.11Å; R297-Y301 VanDerWaalsContact O-CD2 3.22Å; R297-Y301 WeakPolarHBondContact O-CD2 3.1Å |
| 298 | I | 62.4 | Low | 61.2 | Low | 38 Ų | 38 | 84.2 Ų | 84.2 | 20% | 0.195 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -59.8 | -32.2 | 176.3 | -165.2 | 95.7 | 0 | 0 | 0 | 112.8 | Y140 F238 M288 P296 K300 Y301 | Y140-I298 HydrophobicContact CD1-CG2 3.99Å; F238-I298 HydrophobicContact CE1-CD1 3.45Å; F238-I298 VanDerWaalsContact CE1-CD1 3.45Å; F238-I298 HydrophobicContact CE1-CG1 4.4Å; F238-I298 HydrophobicContact CZ-CD1 3.48Å; F238-I298 VanDerWaalsContact CZ-CD1 3.48Å; F238-I298 HydrophobicContact CZ-CG1 3.95Å; M288-I298 HydrophobicContact SD-CG2 3.73Å; P296-I298 HydrophobicContact CB-CG2 3.83Å; P296-I298 PolarHBondContact O-N 3.47Å; I298-K300 PolarHBondContact O-N 3.23Å; I298-Y301 PolarHBondContact O-N 3.09Å |
| 299 | S | 60.2 | Low | 60.2 | Low | 61 Ų | 61 | 88.2 Ų | 88.2 | 43% | 0.427 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -73.1 | -8.8 | 179.4 | 77.5 | 0 | 0 | 0 | 0 | 113 | A295 P296 R297 | A295-S299 WeakPolarHBondContact CB-OG 3.45Å; P296-S299 WeakPolarHBondContact O-CB 3.23Å; P296-S299 PolarHBondContact O-N 3.49Å; P296-S299 PolarHBondContact O-OG 3.1Å; R297-S299 PolarHBondContact O-N 2.92Å |
| 300 | K | 63.8 | Low | 59.5 | Low | 145 Ų | 145 | 92.8 Ų | 92.8 | 63% | 0.63 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -88.6 | -8 | 175.6 | -59.8 | -177.7 | -179.8 | 175.7 | 0 | 112.4 | R297 I298 | R297-K300 WeakPolarHBondContact O-CB 3.26Å; R297-K300 PolarHBondContact O-N 3.11Å; R297-K300 VanDerWaalsContact O-N 3.11Å; I298-K300 PolarHBondContact O-N 3.23Å |
| 301 | Y | 57.4 | Low | 59.1 | Low | 253 Ų | 253 | 89.2 Ų | 89.2 | 99% | 0.992 | 45% | 0.454 | S | S | * | . | trans | -113.8 | 0 | 180 | -63.9 | -77.4 | 0 | 0 | 0 | 111.1 | R297 I298 | R297-Y301 VanDerWaalsContact O-CD2 3.22Å; R297-Y301 WeakPolarHBondContact O-CD2 3.1Å; I298-Y301 PolarHBondContact O-N 3.09Å |
Retrieved 301 of 301 residues in 1466.8 ms
(Link to these results)