| 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 | 39.1 | Very low | 55.3 | Low | 220 Ų | 220 | 126.6 Ų | 126.6 | 100% | 1.084 | 57% | 0.573 | S | S | * | * | 0 | -33.7 | 0 | -140.4 | 154.6 | 144 | 0 | 0 | 113.5 | |||||
| 2 | T | 55.7 | Low | 56.8 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.6 | -40 | -173.3 | 51.4 | 0 | 0 | 0 | 0 | 116 | L5 R6 | T2-L5 PolarHBondContact O-N 3.46Å; T2-R6 WeakPolarHBondContact O-CB 3.43Å; T2-R6 PolarHBondContact O-N 3.14Å |
| 3 | K | 49.3 | Very low | 58.3 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | -179.2 | -77.7 | -173 | 177.2 | -175.9 | 0 | 114 | L5 R6 R7 | K3-L5 VanDerWaalsContact C-N 3.31Å; K3-L5 PolarHBondContact O-N 3.05Å; K3-R6 PolarHBondContact O-N 3.33Å; K3-R7 PolarHBondContact O-N 2.89Å; K3-R7 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 48.2 | Very low | 59.7 | Low | 156 Ų | 156 | 110.2 Ų | 110.2 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -36.2 | -178.5 | -158.2 | 174.8 | -172.7 | 178.2 | 0 | 110.8 | R8 | K4-R8 WeakPolarHBondContact O-CG 3.26Å; K4-R8 PolarHBondContact O-N 2.97Å |
| 5 | L | 50.5 | Low | 61.3 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 176 | -164.3 | 68.9 | 0 | 0 | 0 | 111.3 | T2 K3 R7 R8 F9 | T2-L5 PolarHBondContact O-N 3.46Å; K3-L5 VanDerWaalsContact C-N 3.31Å; K3-L5 PolarHBondContact O-N 3.05Å; L5-R7 PolarHBondContact O-N 3.41Å; L5-R8 WeakPolarHBondContact O-CB 3.24Å; L5-R8 PolarHBondContact O-N 2.99Å; L5-F9 HydrophobicContact CD1-CE2 3.96Å; L5-F9 HydrophobicContact CD2-CE2 4.11Å; L5-F9 HydrophobicContact CG-CD2 3.97Å; L5-F9 HydrophobicContact CG-CE2 3.64Å; L5-F9 WeakPolarHBondContact O-CD2 3.15Å; L5-F9 PolarHBondContact O-N 2.87Å |
| 6 | R | 55.3 | Low | 62.7 | Low | 55 Ų | 55 | 105.3 Ų | 105.3 | 21% | 0.208 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | -178.6 | -159.3 | 177.4 | -166.5 | -153.2 | 3.7 | 113.6 | T2 K3 R8 F9 L10 Y103 F104 | T2-R6 WeakPolarHBondContact O-CB 3.43Å; T2-R6 PolarHBondContact O-N 3.14Å; K3-R6 PolarHBondContact O-N 3.33Å; R6-R8 VanDerWaalsContact C-N 3.35Å; R6-F9 PolarHBondContact O-N 3.14Å; R6-L10 PolarHBondContact O-N 3Å; R6-Y103 PolarHBondContact NH1-O 3.28Å; R6-F104 PolarHBondContact NH1-O 2.96Å; R6-F104 PolarHBondContact NH2-O 3.35Å |
| 7 | R | 55.8 | Low | 63.9 | Low | 178 Ų | 178 | 100.4 Ų | 100.4 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 176.2 | -158.7 | 177.8 | 174.2 | -165.3 | -3.7 | 111.1 | K3 L5 F9 F11 | K3-R7 PolarHBondContact O-N 2.89Å; K3-R7 VanDerWaalsContact O-N 3.14Å; L5-R7 PolarHBondContact O-N 3.41Å; R7-F9 VanDerWaalsContact C-N 3.31Å; R7-F9 PolarHBondContact O-N 3.2Å; R7-F11 HydrophobicContact CG-CD2 4.29Å; R7-F11 HydrophobicContact CG-CE2 3.93Å; R7-F11 WeakPolarHBondContact O-CD2 3.22Å; R7-F11 PolarHBondContact O-N 3.1Å |
| 8 | R | 59.3 | Low | 65.1 | Low | 168 Ų | 168 | 100.6 Ų | 100.6 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -37 | 173.3 | -74.1 | 177.9 | 174.7 | -167.7 | -4 | 112.2 | K4 L5 R6 S12 | K4-R8 WeakPolarHBondContact O-CG 3.26Å; K4-R8 PolarHBondContact O-N 2.97Å; L5-R8 WeakPolarHBondContact O-CB 3.24Å; L5-R8 PolarHBondContact O-N 2.99Å; R6-R8 VanDerWaalsContact C-N 3.35Å; R8-S12 WeakPolarHBondContact O-CB 3.5Å; R8-S12 PolarHBondContact O-N 3.45Å |
| 9 | F | 63.7 | Low | 66.1 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 178.7 | -88.3 | -72.5 | 0 | 0 | 0 | 113.5 | L5 R6 R7 F11 S12 V13 | L5-F9 HydrophobicContact CD1-CE2 3.96Å; L5-F9 HydrophobicContact CD2-CE2 4.11Å; L5-F9 HydrophobicContact CG-CD2 3.97Å; L5-F9 HydrophobicContact CG-CE2 3.64Å; L5-F9 WeakPolarHBondContact O-CD2 3.15Å; L5-F9 PolarHBondContact O-N 2.87Å; R6-F9 PolarHBondContact O-N 3.14Å; R7-F9 VanDerWaalsContact C-N 3.31Å; R7-F9 PolarHBondContact O-N 3.2Å; F9-F11 PolarHBondContact O-N 3.18Å; F9-S12 WeakPolarHBondContact O-CB 3.32Å; F9-S12 PolarHBondContact O-N 2.77Å; F9-S12 VanDerWaalsContact O-N 3.13Å; F9-V13 PolarHBondContact O-N 3.21Å |
| 10 | L | 63.1 | Low | 67 | Low | 49 Ų | 49 | 96.8 Ų | 96.8 | 26% | 0.257 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 176.1 | -87.8 | 156.2 | 0 | 0 | 0 | 111.5 | R6 S12 V13 S14 L110 | R6-L10 PolarHBondContact O-N 3Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 3.29Å; L10-V13 PolarHBondContact O-N 3.17Å; L10-S14 PolarHBondContact O-N 3.05Å; L10-S14 VanDerWaalsContact O-N 3.11Å; L10-S14 PolarHBondContact O-OG 3.46Å; L10-L110 HydrophobicContact CD2-CB 3.99Å |
| 11 | F | 68.2 | Low | 67.8 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 174.6 | -76.2 | -65.3 | 0 | 0 | 0 | 112.3 | R7 F9 V13 S14 I15 | R7-F11 HydrophobicContact CG-CD2 4.29Å; R7-F11 HydrophobicContact CG-CE2 3.93Å; R7-F11 WeakPolarHBondContact O-CD2 3.22Å; R7-F11 PolarHBondContact O-N 3.1Å; F9-F11 PolarHBondContact O-N 3.18Å; F11-V13 PolarHBondContact O-N 3.22Å; F11-S14 PolarHBondContact O-N 3.45Å; F11-I15 WeakPolarHBondContact O-CD1 3.45Å; F11-I15 VanDerWaalsContact O-CG1 3.28Å; F11-I15 WeakPolarHBondContact O-CG1 3.28Å; F11-I15 PolarHBondContact O-N 2.97Å |
| 12 | S | 73.6 | Confident | 70 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -28.1 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | R8 F9 L10 P16 | R8-S12 WeakPolarHBondContact O-CB 3.5Å; R8-S12 PolarHBondContact O-N 3.45Å; F9-S12 WeakPolarHBondContact O-CB 3.32Å; F9-S12 PolarHBondContact O-N 2.77Å; F9-S12 VanDerWaalsContact O-N 3.13Å; L10-S12 VanDerWaalsContact C-N 3.27Å; L10-S12 PolarHBondContact O-N 3.29Å; S12-P16 WeakPolarHBondContact O-CD 3.46Å; S12-P16 WeakPolarHBondContact O-CG 3.31Å |
| 13 | V | 76.2 | Confident | 71.4 | Confident | 20 Ų | 20 | 90.6 Ų | 90.6 | 12% | 0.121 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -88.4 | -33.2 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | F9 L10 F11 P16 I17 F111 A114 L118 | F9-V13 PolarHBondContact O-N 3.21Å; L10-V13 PolarHBondContact O-N 3.17Å; F11-V13 PolarHBondContact O-N 3.22Å; V13-P16 WeakPolarHBondContact O-CD 3.15Å; V13-I17 WeakPolarHBondContact O-CD1 3.21Å; V13-I17 WeakPolarHBondContact O-CG1 3.35Å; V13-F111 HydrophobicContact CG2-CD2 4.44Å; V13-F111 HydrophobicContact CG2-CE2 4.05Å; V13-A114 HydrophobicContact CB-CB 4.1Å; V13-A114 HydrophobicContact CG1-CB 3.62Å; V13-L118 HydrophobicContact CG1-CB 4.44Å; V13-L118 HydrophobicContact CG1-CD2 4.14Å |
| 14 | S | 78 | Confident | 73.3 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.7 | -33.1 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | L10 F11 I17 L18 | L10-S14 PolarHBondContact O-N 3.05Å; L10-S14 VanDerWaalsContact O-N 3.11Å; L10-S14 PolarHBondContact O-OG 3.46Å; F11-S14 PolarHBondContact O-N 3.45Å; S14-I17 WeakPolarHBondContact O-CB 3.24Å; S14-I17 PolarHBondContact O-N 2.91Å; S14-L18 PolarHBondContact O-N 3.39Å; S14-L18 VanDerWaalsContact O-N 3.17Å |
| 15 | I | 83.2 | Confident | 75.3 | Confident | 95 Ų | 95 | 85.9 Ų | 85.9 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.1 | -51.5 | -179.2 | -72 | 164.8 | 0 | 0 | 0 | 111.9 | F11 I17 L18 I19 | F11-I15 WeakPolarHBondContact O-CD1 3.45Å; F11-I15 VanDerWaalsContact O-CG1 3.28Å; F11-I15 WeakPolarHBondContact O-CG1 3.28Å; F11-I15 PolarHBondContact O-N 2.97Å; I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.26Å; I15-L18 PolarHBondContact O-N 3.11Å; I15-L18 VanDerWaalsContact O-N 3.1Å; I15-I19 HydrophobicContact CG2-CD1 3.65Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.46Å; I15-I19 PolarHBondContact O-N 3.45Å |
| 16 | P | 84 | Confident | 77.3 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.7 | -37.8 | 176.1 | -28.2 | 35.1 | 0 | 0 | 0 | 113.8 | S12 V13 L18 I19 L20 L118 | S12-P16 WeakPolarHBondContact O-CD 3.46Å; S12-P16 WeakPolarHBondContact O-CG 3.31Å; V13-P16 WeakPolarHBondContact O-CD 3.15Å; P16-L18 PolarHBondContact O-N 2.99Å; P16-I19 PolarHBondContact O-N 3.14Å; P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 3.34Å; P16-L118 HydrophobicContact CB-CD1 3.91Å |
| 17 | I | 83.8 | Confident | 79.1 | Confident | 21 Ų | 21 | 85.8 Ų | 85.8 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177 | -62.8 | 167.7 | 0 | 0 | 0 | 110.6 | V13 S14 I15 L20 K21 A114 Q117 L118 | V13-I17 WeakPolarHBondContact O-CD1 3.21Å; V13-I17 WeakPolarHBondContact O-CG1 3.35Å; S14-I17 WeakPolarHBondContact O-CB 3.24Å; S14-I17 PolarHBondContact O-N 2.91Å; I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.26Å; I17-L20 PolarHBondContact O-N 2.89Å; I17-K21 HydrophobicContact CG2-CD 4.44Å; I17-K21 WeakPolarHBondContact O-CG 3.45Å; I17-K21 PolarHBondContact O-N 2.79Å; I17-K21 VanDerWaalsContact O-N 3.12Å; I17-A114 HydrophobicContact CD1-CB 4.49Å; I17-A114 WeakPolarHBondContact CD1-O 3.47Å; I17-Q117 HydrophobicContact CD1-CB 4Å; I17-Q117 HydrophobicContact CD1-CG 3.98Å; I17-Q117 HydrophobicContact CG1-CG 4.41Å; I17-Q117 HydrophobicContact CG2-CG 3.91Å; I17-L118 HydrophobicContact CD1-CB 4.2Å; I17-L118 HydrophobicContact CG1-CB 3.9Å; I17-L118 HydrophobicContact CG1-CD1 4.11Å |
| 18 | L | 84.6 | Confident | 80.8 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 55% | 0.55 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179.1 | -172.6 | 64.7 | 0 | 0 | 0 | 111.4 | S14 I15 P16 K21 L22 | S14-L18 PolarHBondContact O-N 3.39Å; S14-L18 VanDerWaalsContact O-N 3.17Å; I15-L18 PolarHBondContact O-N 3.11Å; I15-L18 VanDerWaalsContact O-N 3.1Å; P16-L18 PolarHBondContact O-N 2.99Å; L18-K21 PolarHBondContact O-N 3.33Å; L18-L22 HydrophobicContact CD1-CD1 3.63Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.82Å; L18-L22 HydrophobicContact CG-CG 4.4Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 3.17Å |
| 19 | I | 85 | Confident | 82.3 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 176.9 | -67.1 | 169.1 | 0 | 0 | 0 | 110.6 | I15 P16 K21 L22 A23 | I15-I19 HydrophobicContact CG2-CD1 3.65Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.46Å; I15-I19 PolarHBondContact O-N 3.45Å; P16-I19 PolarHBondContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 2.89Å; I19-L22 PolarHBondContact O-N 2.9Å; I19-A23 HydrophobicContact CG2-CB 4.39Å; I19-A23 WeakPolarHBondContact O-CB 3.44Å; I19-A23 PolarHBondContact O-N 2.82Å |
| 20 | L | 83.3 | Confident | 83.8 | Confident | 32 Ų | 32 | 70.8 Ų | 70.8 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 178 | -73.5 | 172.4 | 0 | 0 | 0 | 111.5 | P16 I17 V24 L118 D121 I122 Y125 | P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 3.34Å; I17-L20 PolarHBondContact O-N 2.89Å; L20-V24 HydrophobicContact CD2-CB 4.38Å; L20-V24 HydrophobicContact CD2-CG2 4.11Å; L20-V24 WeakPolarHBondContact O-CB 3.02Å; L20-V24 PolarHBondContact O-N 3.18Å; L20-L118 HydrophobicContact CD1-CD1 3.94Å; L20-D121 HydrophobicContact CD1-CB 4.08Å; L20-I122 HydrophobicContact CD1-CG1 4.32Å; L20-Y125 HydrophobicContact CB-CD2 4.11Å; L20-Y125 HydrophobicContact CB-CE2 4.03Å; L20-Y125 HydrophobicContact CD2-CD2 4.42Å; L20-Y125 WeakPolarHBondContact O-CE1 3.38Å; L20-Y125 VanDerWaalsContact O-CZ 3.26Å; L20-Y125 PolarHBondContact O-OH 3.3Å |
| 21 | K | 83.7 | Confident | 85.3 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -42.6 | -178.8 | -72.3 | -175.8 | -178.7 | -177.1 | 0 | 113.5 | I17 L18 I19 Q117 D121 Y125 K167 | I17-K21 HydrophobicContact CG2-CD 4.44Å; I17-K21 WeakPolarHBondContact O-CG 3.45Å; I17-K21 PolarHBondContact O-N 2.79Å; I17-K21 VanDerWaalsContact O-N 3.12Å; L18-K21 PolarHBondContact O-N 3.33Å; I19-K21 VanDerWaalsContact C-N 3.31Å; I19-K21 PolarHBondContact O-N 2.89Å; K21-Q117 VanDerWaalsContact NZ-NE2 3.2Å; K21-D121 WeakPolarHBondContact CE-OD2 3.21Å; K21-Y125 WeakPolarHBondContact CA-OH 3.35Å; K21-K167 PolarHBondContact O-NZ 2.75Å |
| 22 | L | 84.7 | Confident | 86.6 | Confident | 131 Ų | 131 | 67.5 Ų | 67.5 | 69% | 0.686 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -89.3 | -39.9 | -172.8 | -64.1 | -177.9 | 0 | 0 | 0 | 113.6 | L18 I19 | L18-L22 HydrophobicContact CD1-CD1 3.63Å; L18-L22 HydrophobicContact CD1-CG 4.03Å; L18-L22 HydrophobicContact CD2-CD1 4.48Å; L18-L22 HydrophobicContact CG-CD1 3.82Å; L18-L22 HydrophobicContact CG-CG 4.4Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 3.17Å; I19-L22 PolarHBondContact O-N 2.9Å |
| 23 | A | 85.3 | Confident | 87.5 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -105.1 | -18.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I19 | I19-A23 HydrophobicContact CG2-CB 4.39Å; I19-A23 WeakPolarHBondContact O-CB 3.44Å; I19-A23 PolarHBondContact O-N 2.82Å |
| 24 | V | 89.5 | Confident | 88.3 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | trans | -105.8 | 135.4 | -171.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | L20 Y125 K167 | L20-V24 HydrophobicContact CD2-CB 4.38Å; L20-V24 HydrophobicContact CD2-CG2 4.11Å; L20-V24 WeakPolarHBondContact O-CB 3.02Å; L20-V24 PolarHBondContact O-N 3.18Å; V24-Y125 HydrophobicContact CB-CD1 4.21Å; V24-Y125 HydrophobicContact CB-CE1 4.43Å; V24-Y125 HydrophobicContact CG1-CD1 3.88Å; V24-Y125 HydrophobicContact CG1-CG 4.41Å; V24-Y125 VanDerWaalsContact O-CE1 3.27Å; V24-Y125 WeakPolarHBondContact O-CE1 3.33Å; V24-K167 WeakPolarHBondContact O-CE 3.3Å; V24-K167 PolarHBondContact O-NZ 3.08Å | ||
| 25 | W | 90.5 | Very high | 89.1 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 138.5 | 167.7 | -91.1 | 85.1 | 0 | 0 | 0 | 110.1 | I163 K167 | W25-I163 HydrophobicContact CH2-CG2 3.64Å; W25-I163 HydrophobicContact CZ2-CG2 3.46Å; W25-I163 VanDerWaalsContact CZ2-CG2 3.46Å; W25-K167 HydrophobicContact CE3-CG 4.3Å; W25-K167 HydrophobicContact CH2-CB 3.95Å; W25-K167 HydrophobicContact CH2-CG 4.48Å; W25-K167 HydrophobicContact CZ3-CB 3.94Å; W25-K167 HydrophobicContact CZ3-CG 4.22Å |
| 26 | P | 92.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 69.1 Ų | 69.1 | 5% | 0.045 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.1 | 173.7 | 25.6 | -32.1 | 0 | 0 | 0 | 111.3 | G28 Y125 K167 R170 L171 | P26-G28 PolarHBondContact O-N 3.21Å; P26-Y125 HydrophobicContact CB-CD1 4.24Å; P26-K167 HydrophobicContact CG-CG 4.39Å; P26-R170 HydrophobicContact CB-CB 4.34Å; P26-R170 HydrophobicContact CG-CB 3.72Å; P26-L171 HydrophobicContact CB-CD2 3.66Å; P26-L171 HydrophobicContact CB-CG 4.46Å; P26-L171 HydrophobicContact CG-CD2 3.97Å; P26-L171 HydrophobicContact CG-CG 4.31Å |
| 27 | Y | 92.3 | Very high | 90.2 | Very high | 147 Ų | 147 | 68.9 Ų | 68.9 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 126.7 | 172.8 | -178.8 | -104.1 | 0 | 0 | 0 | 111.6 | R29 Y125 | Y27-R29 HydrophobicContact CD1-CG 3.6Å; Y27-R29 HydrophobicContact CE1-CG 3.8Å; Y27-R29 PolarHBondContact O-N 3.14Å; Y27-Y125 PolarHBondContact N-O 3.01Å; Y27-Y125 VanDerWaalsContact N-O 3.12Å |
| 28 | G | 91.5 | Very high | 90.8 | Very high | 46 Ų | 46 | 68 Ų | 68 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | trans | -77.8 | 100.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P26 | P26-G28 PolarHBondContact O-N 3.21Š| ||
| 29 | R | 92.3 | Very high | 91.3 | Very high | 89 Ų | 89 | 67.6 Ų | 67.6 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | trans | -89.3 | 142.9 | 172.7 | -66.5 | -167.2 | 177.7 | -167.1 | -4.8 | 111.7 | Y27 I127 G128 | Y27-R29 HydrophobicContact CD1-CG 3.6Å; Y27-R29 HydrophobicContact CE1-CG 3.8Å; Y27-R29 PolarHBondContact O-N 3.14Å; R29-I127 PolarHBondContact NE-O 3.44Å; R29-I127 PolarHBondContact NH2-O 2.85Å; R29-G128 WeakPolarHBondContact CD-O 3.44Å; R29-G128 WeakPolarHBondContact CG-O 3.46Å | ||
| 30 | G | 94.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 9% | 0.093 | 34% | 0.337 | C | S | . | . | trans | -73.3 | 178.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y152 I153 | G30-Y152 VanDerWaalsContact CA-OH 3.31Å; G30-Y152 WeakPolarHBondContact CA-OH 3.44Å; G30-Y152 PolarHBondContact N-OH 3.38Å; G30-Y152 VanDerWaalsContact N-OH 3.11Å; G30-I153 CarbonylContact C-O 3.29Å; G30-I153 WeakPolarHBondContact CA-O 3.29Å | ||
| 31 | F | 95.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.013 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156.7 | 175.5 | 60.6 | -85.8 | 0 | 0 | 0 | 110.2 | I38 L130 F134 L135 P140 I153 F156 | F31-I38 HydrophobicContact CB-CD1 3.56Å; F31-I38 HydrophobicContact CD2-CD1 4.17Å; F31-I38 HydrophobicContact CG-CD1 4Å; F31-L130 HydrophobicContact CB-CD1 3.81Å; F31-F134 HydrophobicContact CD1-CE1 4.05Å; F31-F134 HydrophobicContact CE1-CE1 4.3Å; F31-L135 HydrophobicContact CD1-CD2 4.45Å; F31-L135 HydrophobicContact CD2-CD2 3.95Å; F31-L135 HydrophobicContact CE1-CD2 4.21Å; F31-L135 HydrophobicContact CE2-CD2 3.7Å; F31-L135 HydrophobicContact CG-CD2 4.35Å; F31-L135 HydrophobicContact CZ-CD2 3.85Å; F31-P140 HydrophobicContact CE1-CB 4.32Å; F31-P140 HydrophobicContact CE1-CG 4.22Å; F31-P140 HydrophobicContact CE2-CG 4.41Å; F31-P140 HydrophobicContact CZ-CB 3.96Å; F31-P140 HydrophobicContact CZ-CG 3.61Å; F31-I153 HydrophobicContact CE2-CD1 4.27Å; F31-I153 HydrophobicContact CZ-CB 4.5Å; F31-I153 HydrophobicContact CZ-CD1 4.43Å; F31-I153 PolarHBondContact N-O 3.44Å; F31-I153 PolarHBondContact O-N 3.16Å; F31-F156 HydrophobicContact CD1-CD1 4.22Å; F31-F156 AromaticContact CD1-CE1 3.8Å; F31-F156 HydrophobicContact CD1-CE1 3.8Å; F31-F156 AromaticContact CD1-CZ 4Å; F31-F156 HydrophobicContact CD1-CZ 4Å; F31-F156 AromaticContact CE1-CD1 3.66Å; F31-F156 HydrophobicContact CE1-CD1 3.66Å; F31-F156 HydrophobicContact CE1-CD2 4.06Å; F31-F156 AromaticContact CE1-CE1 3.65Å; F31-F156 HydrophobicContact CE1-CE1 3.65Å; F31-F156 HydrophobicContact CE1-CE2 4.05Å; F31-F156 AromaticContact CE1-CG 3.87Å; F31-F156 HydrophobicContact CE1-CG 3.87Å; F31-F156 AromaticContact CE1-CZ 3.84Å; F31-F156 HydrophobicContact CE1-CZ 3.84Å |
| 32 | Y | 95 | Very high | 93.1 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 37% | 0.373 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.8 | 168.3 | -73.2 | -85.7 | 0 | 0 | 0 | 109.4 | D34 D35 H150 L151 Y152 | Y32-D34 WeakPolarHBondContact CB-OD1 3.22Å; Y32-D34 PolarHBondContact O-N 3.49Å; Y32-D35 VanDerWaalsContact O-CB 3.27Å; Y32-D35 WeakPolarHBondContact O-CB 3.16Å; Y32-D35 PolarHBondContact O-N 3.44Å; Y32-H150 AromaticContact CD1-CD2 3.81Å; Y32-H150 AromaticContact CD1-CE1 3.27Å; Y32-H150 WeakPolarHBondContact CD1-CE1 3.35Å; Y32-H150 AromaticContact CD1-ND1 3.71Å; Y32-H150 AromaticContact CD1-NE2 3.34Å; Y32-H150 VanDerWaalsContact CD1-NE2 3.34Å; Y32-H150 WeakPolarHBondContact CD1-NE2 3.45Å; Y32-H150 AromaticContact CE1-CD2 3.63Å; Y32-H150 AromaticContact CE1-CE1 3.62Å; Y32-H150 AromaticContact CE1-NE2 3.15Å; Y32-H150 WeakPolarHBondContact CE1-NE2 3.19Å; Y32-H150 AromaticContact CG-CE1 3.6Å; Y32-H150 AromaticContact CZ-NE2 3.7Å; Y32-L151 WeakPolarHBondContact CA-O 3.28Å; Y32-Y152 HydrophobicContact CD1-CD2 4.27Å; Y32-Y152 AromaticContact CD2-CD2 3.78Å; Y32-Y152 HydrophobicContact CD2-CD2 3.78Å; Y32-Y152 HydrophobicContact CD2-CE2 4.43Å; Y32-Y152 HydrophobicContact CE1-CD2 4.15Å; Y32-Y152 HydrophobicContact CE1-CG 4.37Å; Y32-Y152 AromaticContact CE2-CD2 3.62Å; Y32-Y152 HydrophobicContact CE2-CD2 3.62Å; Y32-Y152 HydrophobicContact CE2-CE2 4.26Å; Y32-Y152 HydrophobicContact CG-CD2 4.1Å; Y32-Y152 AromaticContact CZ-CD2 3.83Å |
| 33 | C | 92.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.1 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | R39 C147 L151 I153 | C33-R39 PolarHBondContact O-NH2 3.1Å; C33-C147 HydrophobicContact CB-CB 3.67Å; C33-C147 WeakPolarHBondContact CB-SG 3.31Å; C33-C147 WeakPolarHBondContact SG-CB 3.39Å; C33-C147 CovalentContact SG-SG 2.04Å; C33-C147 PolarHBondContact SG-SG 2.88Å; C33-L151 PolarHBondContact N-O 2.9Å; C33-I153 HydrophobicContact CB-CD1 3.81Å |
| 34 | D | 92.5 | Very high | 94 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 37% | 0.369 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.6 | 177.3 | 60.1 | -31.9 | 0 | 0 | 0 | 113.3 | Y32 E36 C147 H150 | Y32-D34 WeakPolarHBondContact CB-OD1 3.22Å; Y32-D34 PolarHBondContact O-N 3.49Å; D34-E36 PolarHBondContact O-N 3.41Å; D34-C147 PolarHBondContact N-SG 3.36Å; D34-H150 VanDerWaalsContact CG-ND1 3.29Å; D34-H150 IonicContact OD1-CE1 3.86Å; D34-H150 IonicContact OD1-CG 3.87Å; D34-H150 IonicContact OD1-ND1 3.28Å; D34-H150 PolarHBondContact OD1-ND1 3.13Å; D34-H150 IonicContact OD2-CE1 2.9Å; D34-H150 IonicContact OD2-CG 3.66Å; D34-H150 IonicContact OD2-ND1 2.8Å; D34-H150 PolarHBondContact OD2-ND1 3.14Å |
| 35 | D | 94.8 | Very high | 94.3 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | trans | -72.3 | 97.4 | 178.9 | -171.3 | -9.1 | 0 | 0 | 0 | 111.6 | Y32 S37 I38 R39 | Y32-D35 VanDerWaalsContact O-CB 3.27Å; Y32-D35 WeakPolarHBondContact O-CB 3.16Å; Y32-D35 PolarHBondContact O-N 3.44Å; D35-S37 PolarHBondContact O-N 3.03Å; D35-S37 WeakPolarHBondContact OD1-CA 3.17Å; D35-S37 WeakPolarHBondContact OD1-CB 3.15Å; D35-S37 PolarHBondContact OD1-N 3.2Å; D35-S37 PolarHBondContact OD1-OG 3.35Å; D35-I38 HydrophobicContact CB-CD1 4.17Å; D35-I38 HydrophobicContact CB-CG1 3.98Å; D35-I38 WeakPolarHBondContact O-CG1 3.42Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å | ||
| 36 | E | 93.8 | Very high | 94.5 | Very high | 156 Ų | 156 | 67.2 Ų | 67.2 | 73% | 0.729 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.9 | 175.9 | -62 | -175 | 168.7 | 0 | 0 | 113.2 | D34 I38 R39 | D34-E36 PolarHBondContact O-N 3.41Å; E36-I38 PolarHBondContact O-N 3.48Å; E36-I38 VanDerWaalsContact O-N 3.11Å; E36-R39 PolarHBondContact O-N 3.01Å |
| 37 | S | 96.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -68 | -16.4 | -174.4 | 80.6 | 0 | 0 | 0 | 0 | 113 | D35 P132 H231 | D35-S37 PolarHBondContact O-N 3.03Å; D35-S37 WeakPolarHBondContact OD1-CA 3.17Å; D35-S37 WeakPolarHBondContact OD1-CB 3.15Å; D35-S37 PolarHBondContact OD1-N 3.2Å; D35-S37 PolarHBondContact OD1-OG 3.35Å; S37-P132 WeakPolarHBondContact O-CA 3.4Å; S37-P132 WeakPolarHBondContact O-CB 3.28Å; S37-H231 PolarHBondContact O-CE1 3.05Å |
| 38 | I | 96.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -113.2 | 11.9 | -179.9 | 62.2 | 167.7 | 0 | 0 | 0 | 113.8 | F31 D35 E36 L130 P132 F134 L135 | F31-I38 HydrophobicContact CB-CD1 3.56Å; F31-I38 HydrophobicContact CD2-CD1 4.17Å; F31-I38 HydrophobicContact CG-CD1 4Å; D35-I38 HydrophobicContact CB-CD1 4.17Å; D35-I38 HydrophobicContact CB-CG1 3.98Å; D35-I38 WeakPolarHBondContact O-CG1 3.42Å; E36-I38 PolarHBondContact O-N 3.48Å; E36-I38 VanDerWaalsContact O-N 3.11Å; I38-L130 HydrophobicContact CD1-CD1 4.19Å; I38-L130 HydrophobicContact CG2-CB 4.1Å; I38-P132 CarbonylContact C-O 3.35Å; I38-P132 WeakPolarHBondContact CA-O 3.29Å; I38-F134 HydrophobicContact CB-CB 4.37Å; I38-F134 HydrophobicContact CD1-CD1 4.38Å; I38-F134 PolarHBondContact O-N 3.04Å; I38-L135 HydrophobicContact CD1-CD1 3.92Å; I38-L135 HydrophobicContact CD1-CD2 4.17Å; I38-L135 HydrophobicContact CD1-CG 3.84Å; I38-L135 HydrophobicContact CG1-CD1 3.79Å; I38-L135 HydrophobicContact CG1-CG 3.94Å; I38-L135 WeakPolarHBondContact O-CB 3.47Å; I38-L135 PolarHBondContact O-N 3.31Å; I38-L135 VanDerWaalsContact O-N 3.11Å |
| 39 | R | 95.3 | Very high | 95 | Very high | 95 Ų | 95 | 62 Ų | 62 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -99.8 | 3.7 | -178.2 | -73.2 | -178.5 | 172.1 | -92 | -2.2 | 114.7 | C33 D35 E36 P132 L135 G143 Y144 | C33-R39 PolarHBondContact O-NH2 3.1Å; D35-R39 WeakPolarHBondContact O-CG 3.28Å; E36-R39 PolarHBondContact O-N 3.01Å; R39-P132 PolarHBondContact N-O 2.86Å; R39-L135 HydrophobicContact CG-CD1 3.51Å; R39-G143 PolarHBondContact NH2-O 3.36Å; R39-G143 VanDerWaalsContact NH2-O 3.12Å; R39-Y144 PolarHBondContact NH1-O 3.06Å; R39-Y144 PolarHBondContact NH2-O 3.31Å | ||
| 40 | Y | 96.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 62 Ų | 62 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -66.6 | 150.6 | 178.6 | -71.4 | -85.2 | 0 | 0 | 0 | 111.5 | P132 H133 F228 | Y40-P132 WeakPolarHBondContact CB-O 3.34Å; Y40-P132 HydrophobicContact CD2-CB 3.91Å; Y40-P132 PolarHBondContact N-O 3.35Å; Y40-H133 WeakPolarHBondContact O-CA 3.47Å; Y40-H133 WeakPolarHBondContact O-CB 3.28Å; Y40-F228 AromaticContact CD1-CD1 3.57Å; Y40-F228 HydrophobicContact CD1-CD1 3.57Å; Y40-F228 HydrophobicContact CD1-CD2 4.13Å; Y40-F228 AromaticContact CD1-CE1 3.31Å; Y40-F228 HydrophobicContact CD1-CE1 3.31Å; Y40-F228 AromaticContact CD1-CE2 3.91Å; Y40-F228 HydrophobicContact CD1-CE2 3.91Å; Y40-F228 AromaticContact CD1-CG 3.98Å; Y40-F228 HydrophobicContact CD1-CG 3.98Å; Y40-F228 AromaticContact CD1-CZ 3.5Å; Y40-F228 HydrophobicContact CD1-CZ 3.5Å; Y40-F228 VanDerWaalsContact CD1-CZ 3.5Å; Y40-F228 HydrophobicContact CD2-CD1 4.23Å; Y40-F228 HydrophobicContact CE1-CD1 4.03Å; Y40-F228 AromaticContact CE1-CE1 3.48Å; Y40-F228 HydrophobicContact CE1-CE1 3.48Å; Y40-F228 VanDerWaalsContact CE1-CE1 3.48Å; Y40-F228 AromaticContact CE1-CZ 3.86Å; Y40-F228 HydrophobicContact CE1-CZ 3.86Å; Y40-F228 HydrophobicContact CG-CB 4.42Å; Y40-F228 AromaticContact CG-CD1 3.67Å; Y40-F228 HydrophobicContact CG-CD1 3.67Å; Y40-F228 HydrophobicContact CG-CD2 4.3Å; Y40-F228 AromaticContact CG-CE1 3.94Å; Y40-F228 HydrophobicContact CG-CE1 3.94Å; Y40-F228 AromaticContact CG-CG 3.88Å; Y40-F228 HydrophobicContact CG-CG 3.88Å; Y40-F228 HydrophobicContact CG-CZ 4.36Å |
| 41 | P | 96.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 66.2 Ų | 66.2 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 147.7 | 175.5 | 28.9 | -34.9 | 0 | 0 | 0 | 110.9 | K43 | P41-K43 PolarHBondContact O-N 3.39Š|
| 42 | Y | 96.2 | Very high | 95.3 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 123.5 | 169 | -176.8 | -88.7 | 0 | 0 | 0 | 109.7 | H133 D136 V137 R165 | Y42-H133 AromaticContact CD2-CD2 3.5Å; Y42-H133 VanDerWaalsContact CD2-CD2 3.5Å; Y42-H133 WeakPolarHBondContact CD2-CD2 3.31Å; Y42-H133 AromaticContact CD2-NE2 3.83Å; Y42-D136 VanDerWaalsContact CB-OD2 3.28Å; Y42-D136 WeakPolarHBondContact CB-OD2 3.43Å; Y42-D136 PolarHBondContact N-OD2 3.05Å; Y42-V137 HydrophobicContact CD2-CG2 3.62Å; Y42-V137 HydrophobicContact CE2-CG2 4.34Å; Y42-V137 HydrophobicContact CG-CG2 4.31Å; Y42-R165 HydrophobicContact CE2-CG 4.08Å |
| 43 | K | 94.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | trans | -122.1 | 144.7 | 175.1 | -170.7 | -176.9 | 171.5 | -157 | 0 | 110.1 | P41 D227 K229 | P41-K43 PolarHBondContact O-N 3.39Å; K43-D227 IonicContact NZ-OD1 2.94Å; K43-D227 PolarHBondContact NZ-OD1 3.12Å; K43-K229 WeakPolarHBondContact O-CE 3.41Å; K43-K229 PolarHBondContact O-NZ 2.83Å | ||
| 44 | E | 94.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | trans | -64.3 | 154.1 | 172 | -72.7 | -59.6 | 158.8 | 0 | 0 | 112.4 | T46 | E44-T46 PolarHBondContact O-N 3.39Š| ||
| 45 | S | 95.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 71.6 Ų | 71.6 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | trans | -79.4 | 122.2 | -177.3 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | V47 K229 | S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 3.39Å; S45-K229 WeakPolarHBondContact OG-CE 3.17Å | ||
| 46 | T | 96.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -54.3 | -48.7 | 168.5 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | E44 D227 | E44-T46 PolarHBondContact O-N 3.39Å; T46-D227 WeakPolarHBondContact CB-OD2 3.13Å; T46-D227 PolarHBondContact N-OD2 2.69Å; T46-D227 VanDerWaalsContact OG1-CG 3.29Å; T46-D227 PolarHBondContact OG1-OD1 2.91Å; T46-D227 PolarHBondContact OG1-OD2 3.03Å |
| 47 | V | 96.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -108 | 100.2 | 170 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | S45 H51 L52 I55 H177 V220 R224 | S45-V47 VanDerWaalsContact C-N 3.3Å; S45-V47 PolarHBondContact O-N 3.39Å; V47-H51 HydrophobicContact CG1-CB 3.94Å; V47-L52 HydrophobicContact CG1-CB 4.29Å; V47-I55 HydrophobicContact CG1-CD1 4.41Å; V47-H177 PolarHBondContact O-NE2 3.41Å; V47-V220 HydrophobicContact CG1-CG1 4.35Å; V47-V220 HydrophobicContact CG1-CG2 4.29Å; V47-V220 HydrophobicContact CG2-CG2 4.41Å; V47-R224 PolarHBondContact O-NH1 3.39Å |
| 48 | S | 96.4 | Very high | 96 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | trans | -69.6 | 166.3 | 174.4 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | T50 H51 L52 | S48-T50 PolarHBondContact O-N 3.42Å; S48-T50 PolarHBondContact OG-N 2.88Å; S48-H51 PolarHBondContact N-ND1 2.86Å; S48-H51 PolarHBondContact O-N 3.36Å; S48-H51 VanDerWaalsContact O-N 3.14Å; S48-H51 VanDerWaalsContact OG-CG 3.23Å; S48-H51 PolarHBondContact OG-N 3.45Å; S48-H51 VanDerWaalsContact OG-N 3.13Å; S48-H51 PolarHBondContact OG-ND1 2.85Å; S48-L52 PolarHBondContact O-N 3.48Å | ||
| 49 | G | 93.6 | Very high | 96 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N53 H177 | G49-N53 PolarHBondContact O-N 3.32Å; G49-N53 VanDerWaalsContact O-N 3.09Å; G49-N53 PolarHBondContact O-ND2 2.98Å; G49-H177 PolarHBondContact N-NE2 3.13Å |
| 50 | T | 94.5 | Very high | 96.1 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 174.4 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | S48 L52 N53 F54 | S48-T50 PolarHBondContact O-N 3.42Å; S48-T50 PolarHBondContact OG-N 2.88Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 3.37Å; T50-N53 PolarHBondContact O-N 2.88Å; T50-N53 VanDerWaalsContact O-N 3.16Å; T50-F54 HydrophobicContact CG2-CD2 3.87Å; T50-F54 HydrophobicContact CG2-CE2 3.69Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.36Å; T50-F54 PolarHBondContact O-N 3.16Å; T50-F54 VanDerWaalsContact O-N 3.11Å |
| 51 | H | 96.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 46% | 0.458 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 175.3 | -60.3 | 152.4 | 0 | 0 | 0 | 111.2 | V47 S48 N53 F54 I55 | V47-H51 HydrophobicContact CG1-CB 3.94Å; S48-H51 PolarHBondContact N-ND1 2.86Å; S48-H51 PolarHBondContact O-N 3.36Å; S48-H51 VanDerWaalsContact O-N 3.14Å; S48-H51 VanDerWaalsContact OG-CG 3.23Å; S48-H51 PolarHBondContact OG-N 3.45Å; S48-H51 VanDerWaalsContact OG-N 3.13Å; S48-H51 PolarHBondContact OG-ND1 2.85Å; H51-N53 VanDerWaalsContact C-N 3.33Å; H51-N53 PolarHBondContact O-N 3.47Å; H51-F54 PolarHBondContact O-N 2.8Å; H51-I55 VanDerWaalsContact O-CG1 3.32Å; H51-I55 WeakPolarHBondContact O-CG1 3.17Å; H51-I55 PolarHBondContact O-N 2.92Å |
| 52 | L | 97.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.3 | 175.9 | 64.7 | 0 | 0 | 0 | 111.7 | V47 S48 T50 F54 I55 A56 H177 L180 V220 | V47-L52 HydrophobicContact CG1-CB 4.29Å; S48-L52 PolarHBondContact O-N 3.48Å; T50-L52 VanDerWaalsContact C-N 3.29Å; T50-L52 PolarHBondContact O-N 3.37Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.96Å; L52-I55 PolarHBondContact O-N 2.81Å; L52-I55 VanDerWaalsContact O-N 3.12Å; L52-A56 HydrophobicContact CD1-CB 4.28Å; L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.37Å; L52-A56 PolarHBondContact O-N 2.88Å; L52-H177 HydrophobicContact CD2-CB 4.11Å; L52-L180 HydrophobicContact CD2-CB 4.3Å; L52-L180 HydrophobicContact CD2-CD2 3.86Å; L52-L180 HydrophobicContact CD2-CG 4.48Å; L52-L180 HydrophobicContact CG-CD2 4.05Å; L52-V220 HydrophobicContact CD1-CG1 4.02Å |
| 53 | N | 95.6 | Very high | 96.2 | Very high | 80 Ų | 80 | 58.5 Ų | 58.5 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.9 | -73.3 | -25.1 | 0 | 0 | 0 | 112.2 | G49 T50 H51 I55 F57 P58 | G49-N53 PolarHBondContact O-N 3.32Å; G49-N53 VanDerWaalsContact O-N 3.09Å; G49-N53 PolarHBondContact O-ND2 2.98Å; T50-N53 PolarHBondContact O-N 2.88Å; T50-N53 VanDerWaalsContact O-N 3.16Å; H51-N53 VanDerWaalsContact C-N 3.33Å; H51-N53 PolarHBondContact O-N 3.47Å; N53-I55 PolarHBondContact O-N 2.99Å; N53-F57 HydrophobicContact CB-CD2 4.3Å; N53-F57 PolarHBondContact O-N 3.45Å; N53-F57 VanDerWaalsContact O-N 3.16Å; N53-P58 WeakPolarHBondContact O-CD 3.49Å |
| 54 | F | 95.5 | Very high | 96.2 | Very high | 150 Ų | 150 | 54 Ų | 54 | 66% | 0.658 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.5 | -17.3 | 175.2 | -80.9 | -69.5 | 0 | 0 | 0 | 114 | T50 H51 L52 P58 | T50-F54 HydrophobicContact CG2-CD2 3.87Å; T50-F54 HydrophobicContact CG2-CE2 3.69Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.36Å; T50-F54 PolarHBondContact O-N 3.16Å; T50-F54 VanDerWaalsContact O-N 3.11Å; H51-F54 PolarHBondContact O-N 2.8Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.96Å; F54-P58 VanDerWaalsContact O-CD 3.26Å; F54-P58 WeakPolarHBondContact O-CD 3.31Å; F54-P58 VanDerWaalsContact O-CG 3.24Å; F54-P58 WeakPolarHBondContact O-CG 3.31Å |
| 55 | I | 94.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -91.9 | -54 | 172.8 | -65.6 | 165.1 | 0 | 0 | 0 | 109.9 | V47 H51 L52 N53 F57 I59 I216 V220 | V47-I55 HydrophobicContact CG1-CD1 4.41Å; H51-I55 VanDerWaalsContact O-CG1 3.32Å; H51-I55 WeakPolarHBondContact O-CG1 3.17Å; H51-I55 PolarHBondContact O-N 2.92Å; L52-I55 PolarHBondContact O-N 2.81Å; L52-I55 VanDerWaalsContact O-N 3.12Å; N53-I55 PolarHBondContact O-N 2.99Å; I55-F57 PolarHBondContact O-N 3.25Å; I55-I59 HydrophobicContact CG2-CD1 4.01Å; I55-I59 WeakPolarHBondContact O-CB 3.42Å; I55-I59 WeakPolarHBondContact O-CD1 3.1Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I216 HydrophobicContact CG2-CG2 3.46Å; I55-I216 VanDerWaalsContact CG2-CG2 3.46Å; I55-V220 HydrophobicContact CD1-CG2 4.4Å |
| 56 | A | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.7 | -25.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L52 P60 F109 L180 A184 | L52-A56 HydrophobicContact CD1-CB 4.28Å; L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.37Å; L52-A56 PolarHBondContact O-N 2.88Å; A56-P60 VanDerWaalsContact O-CD 3.23Å; A56-P60 WeakPolarHBondContact O-CD 3.27Å; A56-P60 WeakPolarHBondContact O-CG 3.22Å; A56-F109 WeakPolarHBondContact O-CZ 3.29Å; A56-L180 HydrophobicContact CB-CD2 4.18Å; A56-L180 HydrophobicContact CB-CG 3.96Å; A56-A184 HydrophobicContact CB-CB 3.93Å; A56-A184 WeakPolarHBondContact O-CB 3.46Å |
| 57 | F | 97.7 | Very high | 96 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -51 | 179.6 | -67 | -86.2 | 0 | 0 | 0 | 113.6 | N53 I55 I59 P60 L61 F109 L110 A113 L180 | N53-F57 HydrophobicContact CB-CD2 4.3Å; N53-F57 PolarHBondContact O-N 3.45Å; N53-F57 VanDerWaalsContact O-N 3.16Å; I55-F57 PolarHBondContact O-N 3.25Å; F57-I59 PolarHBondContact O-N 3.48Å; F57-P60 WeakPolarHBondContact O-CD 3.39Å; F57-L61 HydrophobicContact CB-CD1 4.4Å; F57-L61 WeakPolarHBondContact O-CB 3.32Å; F57-L61 WeakPolarHBondContact O-CD1 3.47Å; F57-L61 WeakPolarHBondContact O-CG 3.43Å; F57-L61 PolarHBondContact O-N 3.18Å; F57-F109 AromaticContact CD1-CE1 3.8Å; F57-F109 HydrophobicContact CD1-CE1 3.8Å; F57-F109 HydrophobicContact CD1-CZ 4.32Å; F57-F109 HydrophobicContact CE1-CE1 4.27Å; F57-L110 HydrophobicContact CD1-CD2 3.98Å; F57-L110 HydrophobicContact CE1-CD2 3.9Å; F57-A113 HydrophobicContact CE1-CB 4.07Å; F57-A113 HydrophobicContact CZ-CB 4.3Å; F57-L180 HydrophobicContact CE2-CD2 4.29Å |
| 58 | P | 97.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | -177.6 | -28.6 | 38.4 | 0 | 0 | 0 | 113.6 | N53 F54 L61 I62 | N53-P58 WeakPolarHBondContact O-CD 3.49Å; F54-P58 VanDerWaalsContact O-CD 3.26Å; F54-P58 WeakPolarHBondContact O-CD 3.31Å; F54-P58 VanDerWaalsContact O-CG 3.24Å; F54-P58 WeakPolarHBondContact O-CG 3.31Å; P58-L61 PolarHBondContact O-N 3.09Å; P58-I62 HydrophobicContact CB-CD1 4.26Å; P58-I62 VanDerWaalsContact O-CB 3.27Å; P58-I62 WeakPolarHBondContact O-CB 3.15Å; P58-I62 WeakPolarHBondContact O-CG1 3.37Å; P58-I62 PolarHBondContact O-N 3.33Å |
| 59 | I | 97.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 55 Ų | 55 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -59 | -177.6 | -66.9 | 173.5 | 0 | 0 | 0 | 110.9 | I55 F57 L61 I62 T63 M185 L213 I216 | I55-I59 HydrophobicContact CG2-CD1 4.01Å; I55-I59 WeakPolarHBondContact O-CB 3.42Å; I55-I59 WeakPolarHBondContact O-CD1 3.1Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; F57-I59 PolarHBondContact O-N 3.48Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.23Å; I59-I62 PolarHBondContact O-N 3.2Å; I59-T63 WeakPolarHBondContact O-CB 3.27Å; I59-T63 PolarHBondContact O-N 3.13Å; I59-T63 PolarHBondContact O-OG1 2.97Å; I59-M185 HydrophobicContact CB-CE 4.13Å; I59-M185 HydrophobicContact CD1-CE 4.36Å; I59-M185 HydrophobicContact CD1-SD 4.37Å; I59-M185 HydrophobicContact CG2-CE 4.05Å; I59-M185 HydrophobicContact CG2-SD 4.28Å; I59-L213 HydrophobicContact CG2-CD2 3.47Å; I59-L213 VanDerWaalsContact CG2-CD2 3.47Å; I59-I216 HydrophobicContact CD1-CD1 4.1Å |
| 60 | P | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 178 | -22.5 | 30.4 | 0 | 0 | 0 | 113.6 | A56 F57 T63 I64 F109 A184 M185 T188 | A56-P60 VanDerWaalsContact O-CD 3.23Å; A56-P60 WeakPolarHBondContact O-CD 3.27Å; A56-P60 WeakPolarHBondContact O-CG 3.22Å; F57-P60 WeakPolarHBondContact O-CD 3.39Å; P60-T63 PolarHBondContact O-N 2.94Å; P60-I64 WeakPolarHBondContact O-CD1 3.3Å; P60-I64 VanDerWaalsContact O-CG1 3.22Å; P60-I64 WeakPolarHBondContact O-CG1 3.43Å; P60-I64 PolarHBondContact O-N 3.47Å; P60-F109 HydrophobicContact CB-CD1 4.46Å; P60-F109 HydrophobicContact CB-CD2 4.15Å; P60-F109 HydrophobicContact CB-CE1 4.1Å; P60-F109 HydrophobicContact CB-CE2 3.77Å; P60-F109 HydrophobicContact CB-CG 4.48Å; P60-F109 HydrophobicContact CB-CZ 3.76Å; P60-F109 HydrophobicContact CG-CE1 4.31Å; P60-F109 HydrophobicContact CG-CE2 3.73Å; P60-F109 HydrophobicContact CG-CZ 3.59Å; P60-A184 HydrophobicContact CG-CB 4.15Å; P60-M185 HydrophobicContact CG-CE 4.29Å; P60-T188 WeakPolarHBondContact CA-OG1 3.44Å; P60-T188 VanDerWaalsContact CB-OG1 3.29Å; P60-T188 WeakPolarHBondContact CB-OG1 3.48Å; P60-T188 VanDerWaalsContact CG-OG1 3.26Å; P60-T188 WeakPolarHBondContact CG-OG1 3.17Å |
| 61 | L | 97.2 | Very high | 95.3 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | -176.5 | -66.4 | 177.3 | 0 | 0 | 0 | 112 | F57 P58 I59 T63 I64 I65 V106 F109 | F57-L61 HydrophobicContact CB-CD1 4.4Å; F57-L61 WeakPolarHBondContact O-CB 3.32Å; F57-L61 WeakPolarHBondContact O-CD1 3.47Å; F57-L61 WeakPolarHBondContact O-CG 3.43Å; F57-L61 PolarHBondContact O-N 3.18Å; P58-L61 PolarHBondContact O-N 3.09Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.23Å; L61-T63 VanDerWaalsContact C-N 3.35Å; L61-I64 PolarHBondContact O-N 3.11Å; L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 3.38Å; L61-V106 HydrophobicContact CD2-CB 4.14Å; L61-V106 HydrophobicContact CD2-CG1 3.59Å; L61-V106 HydrophobicContact CD2-CG2 3.64Å; L61-F109 HydrophobicContact CD2-CD1 4.06Å; L61-F109 HydrophobicContact CD2-CE1 4.42Å |
| 62 | I | 97.6 | Very high | 94.9 | Very high | 94 Ų | 94 | 48.6 Ų | 48.6 | 48% | 0.482 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 175.9 | -68 | 168.3 | 0 | 0 | 0 | 109.5 | P58 I59 I64 I65 L66 | P58-I62 HydrophobicContact CB-CD1 4.26Å; P58-I62 VanDerWaalsContact O-CB 3.27Å; P58-I62 WeakPolarHBondContact O-CB 3.15Å; P58-I62 WeakPolarHBondContact O-CG1 3.37Å; P58-I62 PolarHBondContact O-N 3.33Å; I59-I62 PolarHBondContact O-N 3.2Å; I62-I64 PolarHBondContact O-N 2.92Å; I62-I65 PolarHBondContact O-N 3.21Å; I62-L66 HydrophobicContact CG2-CD1 3.63Å; I62-L66 HydrophobicContact CG2-CG 4.05Å; I62-L66 WeakPolarHBondContact O-CB 3.33Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.35Å |
| 63 | T | 95.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | I59 P60 L61 I65 L66 V67 T188 Y191 V192 | I59-T63 WeakPolarHBondContact O-CB 3.27Å; I59-T63 PolarHBondContact O-N 3.13Å; I59-T63 PolarHBondContact O-OG1 2.97Å; P60-T63 PolarHBondContact O-N 2.94Å; L61-T63 VanDerWaalsContact C-N 3.35Å; T63-I65 PolarHBondContact O-N 3.19Å; T63-L66 PolarHBondContact O-N 3.47Å; T63-V67 HydrophobicContact CG2-CG2 4.04Å; T63-V67 VanDerWaalsContact O-CB 3.27Å; T63-V67 WeakPolarHBondContact O-CB 3.22Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.23Å; T63-T188 HydrophobicContact CG2-CG2 3.77Å; T63-Y191 HydrophobicContact CG2-CD1 4.47Å; T63-V192 HydrophobicContact CG2-CG2 3.49Å; T63-V192 VanDerWaalsContact CG2-CG2 3.49Å |
| 64 | I | 94.7 | Very high | 94 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -50 | 176.4 | -71 | 162.4 | 0 | 0 | 0 | 110.7 | P60 L61 I62 V67 E68 F105 V106 F109 F187 Y191 | P60-I64 WeakPolarHBondContact O-CD1 3.3Å; P60-I64 VanDerWaalsContact O-CG1 3.22Å; P60-I64 WeakPolarHBondContact O-CG1 3.43Å; P60-I64 PolarHBondContact O-N 3.47Å; L61-I64 PolarHBondContact O-N 3.11Å; I62-I64 PolarHBondContact O-N 2.92Å; I64-V67 PolarHBondContact O-N 2.61Å; I64-E68 WeakPolarHBondContact O-CB 3.48Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.37Å; I64-F105 HydrophobicContact CD1-CB 4.2Å; I64-F105 HydrophobicContact CG1-CB 4.38Å; I64-F105 HydrophobicContact CG2-CB 3.83Å; I64-V106 HydrophobicContact CD1-CG2 4.2Å; I64-V106 HydrophobicContact CG2-CG2 4.18Å; I64-F109 HydrophobicContact CD1-CB 4.45Å; I64-F187 HydrophobicContact CD1-CE1 4.2Å; I64-Y191 HydrophobicContact CB-CE1 4.34Å; I64-Y191 HydrophobicContact CG1-CD1 4.25Å; I64-Y191 HydrophobicContact CG1-CE1 3.85Å; I64-Y191 HydrophobicContact CG1-CE2 4.16Å |
| 65 | I | 96.2 | Very high | 93.4 | Very high | 80 Ų | 80 | 48.2 Ų | 48.2 | 41% | 0.41 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -48.5 | -178.1 | -67.2 | 165.2 | 0 | 0 | 0 | 110.9 | L61 I62 T63 W69 V102 | L61-I65 VanDerWaalsContact O-CG1 3.31Å; L61-I65 WeakPolarHBondContact O-CG1 3.3Å; L61-I65 PolarHBondContact O-N 3.38Å; I62-I65 PolarHBondContact O-N 3.21Å; T63-I65 PolarHBondContact O-N 3.19Å; I65-W69 WeakPolarHBondContact O-CB 3.43Å; I65-W69 PolarHBondContact O-N 3.25Å; I65-V102 HydrophobicContact CG1-CG1 4.06Å; I65-V102 HydrophobicContact CG1-CG2 4.1Å |
| 66 | L | 95 | Very high | 92.9 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.1 | -43.5 | -178.5 | -69.5 | 179 | 0 | 0 | 0 | 112.1 | I62 T63 F70 | I62-L66 HydrophobicContact CG2-CD1 3.63Å; I62-L66 HydrophobicContact CG2-CG 4.05Å; I62-L66 WeakPolarHBondContact O-CB 3.33Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.35Å; T63-L66 PolarHBondContact O-N 3.47Å; L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 2.67Å; L66-F70 PolarHBondContact O-N 3.26Å |
| 67 | V | 92.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 178.9 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | T63 I64 F70 R71 Y191 R195 L196 | T63-V67 HydrophobicContact CG2-CG2 4.04Å; T63-V67 VanDerWaalsContact O-CB 3.27Å; T63-V67 WeakPolarHBondContact O-CB 3.22Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 3.23Å; I64-V67 PolarHBondContact O-N 2.61Å; V67-F70 PolarHBondContact O-N 3.06Å; V67-R71 WeakPolarHBondContact O-CB 3.05Å; V67-R71 VanDerWaalsContact O-CG 3.31Å; V67-R71 WeakPolarHBondContact O-CG 3.5Å; V67-R71 PolarHBondContact O-N 3.43Å; V67-Y191 HydrophobicContact CB-CE1 3.99Å; V67-Y191 HydrophobicContact CG1-CE1 3.99Å; V67-Y191 HydrophobicContact CG2-CE1 4.28Å; V67-R195 HydrophobicContact CG1-CB 3.81Å; V67-L196 HydrophobicContact CG1-CD1 4.49Å; V67-L196 HydrophobicContact CG1-CD2 4.09Å; V67-L196 HydrophobicContact CG1-CG 4.02Å; V67-L196 HydrophobicContact CG2-CD1 3.87Å; V67-L196 HydrophobicContact CG2-CG 4.31Å |
| 68 | E | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.3 | -36.8 | -179.5 | -67 | -54.6 | 125 | 0 | 0 | 112.3 | I64 R71 I72 L98 R101 F105 Y191 R195 | I64-E68 WeakPolarHBondContact O-CB 3.48Å; I64-E68 WeakPolarHBondContact O-CG 3.48Å; I64-E68 PolarHBondContact O-N 3.37Å; E68-R71 PolarHBondContact O-N 2.65Å; E68-I72 WeakPolarHBondContact O-CG1 3Å; E68-I72 PolarHBondContact O-N 3.31Å; E68-L98 HydrophobicContact CB-CD1 3.73Å; E68-R101 HydrophobicContact CG-CB 4.21Å; E68-R101 WeakPolarHBondContact OE2-CD 3.4Å; E68-R101 IonicContact OE2-NH1 3.69Å; E68-F105 HydrophobicContact CG-CD2 4.19Å; E68-F105 HydrophobicContact CG-CE2 4.37Å; E68-Y191 VanDerWaalsContact CG-OH 3.28Å; E68-Y191 WeakPolarHBondContact CG-OH 3.21Å; E68-Y191 PolarHBondContact OE1-OH 3.32Å; E68-R195 IonicContact OE1-CZ 3.35Å; E68-R195 VanDerWaalsContact OE1-CZ 3.28Å; E68-R195 IonicContact OE1-NE 3.51Å; E68-R195 PolarHBondContact OE1-NE 3.16Å; E68-R195 IonicContact OE1-NH2 2.7Å; E68-R195 PolarHBondContact OE1-NH2 3.48Å; E68-R195 IonicContact OE2-CZ 3.41Å; E68-R195 IonicContact OE2-NH2 2.65Å; E68-R195 PolarHBondContact OE2-NH2 3.18Å |
| 69 | W | 92.6 | Very high | 90.7 | Very high | 134 Ų | 134 | 55.7 Ų | 55.7 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 172.5 | 175 | 81.4 | 0 | 0 | 0 | 111.4 | I65 R71 I72 T73 L98 | I65-W69 WeakPolarHBondContact O-CB 3.43Å; I65-W69 PolarHBondContact O-N 3.25Å; W69-R71 VanDerWaalsContact C-N 3.31Å; W69-R71 PolarHBondContact O-N 2.89Å; W69-I72 PolarHBondContact O-N 3.45Å; W69-T73 HydrophobicContact CD2-CG2 4.41Å; W69-T73 HydrophobicContact CG-CG2 4.41Å; W69-T73 WeakPolarHBondContact O-CB 3.23Å; W69-T73 VanDerWaalsContact O-CG2 3.26Å; W69-T73 WeakPolarHBondContact O-CG2 3.24Å; W69-T73 PolarHBondContact O-N 2.87Å; W69-T73 PolarHBondContact O-OG1 3.03Å; W69-L98 HydrophobicContact CB-CD1 4.2Å; W69-L98 HydrophobicContact CB-CD2 4.47Å |
| 70 | F | 91 | Very high | 90 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 176.6 | 177.3 | -101.5 | 0 | 0 | 0 | 111.6 | L66 V67 T73 R74 Y75 L196 I200 | L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 2.67Å; L66-F70 PolarHBondContact O-N 3.26Å; V67-F70 PolarHBondContact O-N 3.06Å; F70-T73 PolarHBondContact O-N 3.46Å; F70-T73 PolarHBondContact O-OG1 3.47Å; F70-R74 HydrophobicContact CD2-CB 4.13Å; F70-R74 HydrophobicContact CD2-CG 4Å; F70-R74 HydrophobicContact CE2-CB 3.86Å; F70-R74 HydrophobicContact CE2-CG 3.92Å; F70-R74 HydrophobicContact CZ-CB 4.23Å; F70-R74 WeakPolarHBondContact O-CB 3.27Å; F70-R74 PolarHBondContact O-N 2.89Å; F70-Y75 PolarHBondContact O-N 3.46Å; F70-L196 HydrophobicContact CD1-CD2 4.17Å; F70-L196 HydrophobicContact CE1-CD2 4.49Å; F70-I200 HydrophobicContact CE2-CG2 4.42Å; F70-I200 HydrophobicContact CZ-CG2 4.1Å |
| 71 | R | 89.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -61.4 | -51.8 | 179.1 | -79.9 | -175.2 | 59.9 | 146.6 | -3.9 | 112.7 | V67 E68 W69 T73 Y75 E76 R195 | V67-R71 WeakPolarHBondContact O-CB 3.05Å; V67-R71 VanDerWaalsContact O-CG 3.31Å; V67-R71 WeakPolarHBondContact O-CG 3.5Å; V67-R71 PolarHBondContact O-N 3.43Å; E68-R71 PolarHBondContact O-N 2.65Å; W69-R71 VanDerWaalsContact C-N 3.31Å; W69-R71 PolarHBondContact O-N 2.89Å; R71-T73 VanDerWaalsContact C-N 3.32Å; R71-T73 PolarHBondContact O-N 3.16Å; R71-Y75 HydrophobicContact CG-CD1 4.38Å; R71-Y75 PolarHBondContact O-N 3.38Å; R71-Y75 VanDerWaalsContact O-N 3.13Å; R71-E76 IonicContact CZ-OE1 2.81Å; R71-E76 IonicContact NE-OE1 2.92Å; R71-E76 PolarHBondContact NE-OE1 3.19Å; R71-E76 VanDerWaalsContact NE-OE1 3.17Å; R71-E76 IonicContact NH2-OE1 3.25Å; R71-E76 PolarHBondContact NH2-OE1 2.85Å; R71-E76 PolarHBondContact O-N 2.91Å; R71-R195 VanDerWaalsContact CZ-NH2 3.29Å; R71-R195 PolarHBondContact NH1-O 3.5Å; R71-R195 VanDerWaalsContact NH1-O 3.11Å |
| 72 | I | 88.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -67.1 | -34.7 | -179 | -67.5 | 171.3 | 0 | 0 | 0 | 111.5 | E68 W69 P77 R85 P97 L98 R101 | E68-I72 WeakPolarHBondContact O-CG1 3Å; E68-I72 PolarHBondContact O-N 3.31Å; W69-I72 PolarHBondContact O-N 3.45Å; I72-P77 VanDerWaalsContact O-CD 3.31Å; I72-P77 WeakPolarHBondContact O-CD 3.46Å; I72-P77 WeakPolarHBondContact O-CG 3.39Å; I72-R85 HydrophobicContact CG2-CG 3.95Å; I72-R85 PolarHBondContact O-NE 2.91Å; I72-P97 HydrophobicContact CD1-CB 4.22Å; I72-P97 HydrophobicContact CD1-CG 4.36Å; I72-L98 VanDerWaalsContact CD1-CA 3.5Å; I72-L98 HydrophobicContact CD1-CB 3.85Å; I72-L98 HydrophobicContact CD1-CD1 4.12Å; I72-R101 VanDerWaalsContact CG1-NH1 3.34Å |
| 73 | T | 87.9 | Confident | 86.9 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -84.7 | -38.4 | -175.2 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | W69 F70 R71 R85 | W69-T73 HydrophobicContact CD2-CG2 4.41Å; W69-T73 HydrophobicContact CG-CG2 4.41Å; W69-T73 WeakPolarHBondContact O-CB 3.23Å; W69-T73 VanDerWaalsContact O-CG2 3.26Å; W69-T73 WeakPolarHBondContact O-CG2 3.24Å; W69-T73 PolarHBondContact O-N 2.87Å; W69-T73 PolarHBondContact O-OG1 3.03Å; F70-T73 PolarHBondContact O-N 3.46Å; F70-T73 PolarHBondContact O-OG1 3.47Å; R71-T73 VanDerWaalsContact C-N 3.32Å; R71-T73 PolarHBondContact O-N 3.16Å; T73-R85 PolarHBondContact O-NH2 3.33Å |
| 74 | R | 86.5 | Confident | 85.6 | Confident | 159 Ų | 159 | 67.9 Ų | 67.9 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | I | π-helix | trans | -118.2 | -47.5 | -170.8 | -60.3 | -61.6 | -174.8 | 97.1 | -2.6 | 113.4 | F70 K78 | F70-R74 HydrophobicContact CD2-CB 4.13Å; F70-R74 HydrophobicContact CD2-CG 4Å; F70-R74 HydrophobicContact CE2-CB 3.86Å; F70-R74 HydrophobicContact CE2-CG 3.92Å; F70-R74 HydrophobicContact CZ-CB 4.23Å; F70-R74 WeakPolarHBondContact O-CB 3.27Å; F70-R74 PolarHBondContact O-N 2.89Å; R74-K78 WeakPolarHBondContact O-CG 3.38Å |
| 75 | Y | 83.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -76.4 | -58.1 | -168.8 | 180 | -113.3 | 0 | 0 | 0 | 112.7 | F70 R71 K78 L79 S197 W198 | F70-Y75 PolarHBondContact O-N 3.46Å; R71-Y75 HydrophobicContact CG-CD1 4.38Å; R71-Y75 PolarHBondContact O-N 3.38Å; R71-Y75 VanDerWaalsContact O-N 3.13Å; Y75-K78 WeakPolarHBondContact O-CB 3.38Å; Y75-K78 PolarHBondContact O-N 3.5Å; Y75-K78 VanDerWaalsContact O-N 3.11Å; Y75-L79 HydrophobicContact CE1-CD2 4.26Å; Y75-L79 PolarHBondContact O-N 3.11Å; Y75-L79 WeakPolarHBondContact OH-CD2 3.23Å; Y75-S197 PolarHBondContact OH-OG 3.34Å; Y75-W198 HydrophobicContact CE2-CB 4.41Å; Y75-W198 AromaticContact CE2-CD1 3.26Å; Y75-W198 HydrophobicContact CE2-CD2 4.25Å; Y75-W198 AromaticContact CE2-CG 3.75Å; Y75-W198 HydrophobicContact CE2-CG 3.75Å; Y75-W198 AromaticContact CE2-NE1 3.57Å; Y75-W198 AromaticContact CZ-CD1 3.57Å; Y75-W198 AromaticContact CZ-NE1 3.68Å; Y75-W198 PolarHBondContact OH-NE1 2.96Å |
| 76 | E | 83.7 | Confident | 83.4 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | -173.8 | -71.1 | 172.9 | -169.1 | 0 | 0 | 113.1 | R71 K78 L79 Y80 G81 T84 R101 | R71-E76 IonicContact CZ-OE1 2.81Å; R71-E76 IonicContact NE-OE1 2.92Å; R71-E76 PolarHBondContact NE-OE1 3.19Å; R71-E76 VanDerWaalsContact NE-OE1 3.17Å; R71-E76 IonicContact NH2-OE1 3.25Å; R71-E76 PolarHBondContact NH2-OE1 2.85Å; R71-E76 PolarHBondContact O-N 2.91Å; E76-K78 PolarHBondContact O-N 2.99Å; E76-L79 PolarHBondContact O-N 3.43Å; E76-Y80 HydrophobicContact CB-CD2 4.33Å; E76-Y80 HydrophobicContact CG-CD2 4.29Å; E76-Y80 PolarHBondContact O-N 3.11Å; E76-G81 PolarHBondContact O-N 3.05Å; E76-T84 HydrophobicContact CB-CG2 4.03Å; E76-R101 IonicContact OE1-CZ 3.44Å; E76-R101 IonicContact OE1-NH1 2.75Å; E76-R101 PolarHBondContact OE1-NH1 3.43Å; E76-R101 IonicContact OE1-NH2 3.33Å; E76-R101 PolarHBondContact OE1-NH2 3.16Å; E76-R101 IonicContact OE2-CZ 3.28Å; E76-R101 VanDerWaalsContact OE2-CZ 3.28Å; E76-R101 IonicContact OE2-NH1 2.89Å; E76-R101 PolarHBondContact OE2-NH1 3.32Å; E76-R101 IonicContact OE2-NH2 2.79Å; E76-R101 PolarHBondContact OE2-NH2 3.14Å |
| 77 | P | 83.6 | Confident | 82.4 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 21% | 0.208 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61 | -28.8 | 172.5 | -26.8 | 36.9 | 0 | 0 | 0 | 114.3 | I72 G81 | I72-P77 VanDerWaalsContact O-CD 3.31Å; I72-P77 WeakPolarHBondContact O-CD 3.46Å; I72-P77 WeakPolarHBondContact O-CG 3.39Å; P77-G81 WeakPolarHBondContact CA-O 3.21Å; P77-G81 VanDerWaalsContact O-CA 3.28Å; P77-G81 WeakPolarHBondContact O-CA 3.27Å; P77-G81 PolarHBondContact O-N 2.72Å |
| 78 | K | 82.8 | Confident | 81.6 | Confident | 189 Ų | 189 | 75.3 Ų | 75.3 | 82% | 0.822 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -76.6 | -33.7 | 175.9 | -77.3 | -177 | 174.6 | -170.5 | 0 | 112.5 | R74 Y75 E76 | R74-K78 WeakPolarHBondContact O-CG 3.38Å; Y75-K78 WeakPolarHBondContact O-CB 3.38Å; Y75-K78 PolarHBondContact O-N 3.5Å; Y75-K78 VanDerWaalsContact O-N 3.11Å; E76-K78 PolarHBondContact O-N 2.99Å |
| 79 | L | 80.9 | Confident | 80.7 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 42% | 0.419 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -94 | -42.4 | -173.4 | -170.3 | 61.9 | 0 | 0 | 0 | 113.4 | Y75 E76 | Y75-L79 HydrophobicContact CE1-CD2 4.26Å; Y75-L79 PolarHBondContact O-N 3.11Å; Y75-L79 WeakPolarHBondContact OH-CD2 3.23Å; E76-L79 PolarHBondContact O-N 3.43Å |
| 80 | Y | 81.5 | Confident | 79.7 | Confident | 152 Ų | 152 | 80.4 Ų | 80.4 | 60% | 0.596 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 0.5 | -174.1 | -53.8 | -69.5 | 0 | 0 | 0 | 113.2 | E76 T84 | E76-Y80 HydrophobicContact CB-CD2 4.33Å; E76-Y80 HydrophobicContact CG-CD2 4.29Å; E76-Y80 PolarHBondContact O-N 3.11Å; Y80-T84 HydrophobicContact CD2-CG2 4.3Å; Y80-T84 HydrophobicContact CG-CG2 4.43Å |
| 81 | G | 79.7 | Confident | 79.3 | Confident | 31 Ų | 31 | 86.6 Ų | 86.6 | 32% | 0.32 | 43% | 0.427 | S | S | . | . | trans | 76.5 | -175.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | E76 P77 A83 T84 | E76-G81 PolarHBondContact O-N 3.05Å; P77-G81 WeakPolarHBondContact CA-O 3.21Å; P77-G81 VanDerWaalsContact O-CA 3.28Å; P77-G81 WeakPolarHBondContact O-CA 3.27Å; P77-G81 PolarHBondContact O-N 2.72Å; G81-A83 PolarHBondContact O-N 3.29Å; G81-T84 PolarHBondContact O-OG1 3.18Å | ||
| 82 | K | 75.8 | Confident | 78.9 | Confident | 183 Ų | 183 | 89.5 Ų | 89.5 | 80% | 0.796 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -71.8 | -10.3 | -170.8 | -67.1 | -179.5 | -177.9 | 174.2 | 0 | 114.8 | T84 R85 | K82-T84 PolarHBondContact O-N 3.3Å; K82-R85 PolarHBondContact O-N 3.11Å |
| 83 | A | 72.1 | Confident | 78.5 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -60.4 | -28 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G81 R85 A86 | G81-A83 PolarHBondContact O-N 3.29Å; A83-R85 PolarHBondContact O-N 2.93Å; A83-R85 VanDerWaalsContact O-N 3.1Å; A83-A86 VanDerWaalsContact O-CB 3.24Å; A83-A86 WeakPolarHBondContact O-CB 3.21Å; A83-A86 PolarHBondContact O-N 3.38Å |
| 84 | T | 68.4 | Low | 78.3 | Confident | 33 Ų | 33 | 102.2 Ų | 102.2 | 20% | 0.202 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -64.2 | -13.6 | 178.8 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | E76 Y80 G81 K82 | E76-T84 HydrophobicContact CB-CG2 4.03Å; Y80-T84 HydrophobicContact CD2-CG2 4.3Å; Y80-T84 HydrophobicContact CG-CG2 4.43Å; G81-T84 PolarHBondContact O-OG1 3.18Å; K82-T84 PolarHBondContact O-N 3.3Å |
| 85 | R | 71.3 | Confident | 78.2 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -92.4 | -0.7 | 174.3 | -63.9 | -170.6 | -176.5 | 172.9 | 6.1 | 113.8 | I72 T73 K82 A83 | I72-R85 HydrophobicContact CG2-CG 3.95Å; I72-R85 PolarHBondContact O-NE 2.91Å; T73-R85 PolarHBondContact O-NH2 3.33Å; K82-R85 PolarHBondContact O-N 3.11Å; A83-R85 PolarHBondContact O-N 2.93Å; A83-R85 VanDerWaalsContact O-N 3.1Å |
| 86 | A | 71.9 | Confident | 78.4 | Confident | 66 Ų | 66 | 98.6 Ų | 98.6 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A83 | A83-A86 VanDerWaalsContact O-CB 3.24Å; A83-A86 WeakPolarHBondContact O-CB 3.21Å; A83-A86 PolarHBondContact O-N 3.38Å |
| 87 | P | 75.3 | Confident | 78.5 | Confident | 69 Ų | 69 | 99.1 Ų | 99.1 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.8 | 179.3 | 27.5 | -33.7 | 0 | 0 | 0 | 110.1 | K89 N94 V95 | P87-K89 PolarHBondContact O-N 2.82Å; P87-N94 HydrophobicContact CB-CB 3.95Å; P87-N94 HydrophobicContact CG-CB 4.23Å; P87-V95 WeakPolarHBondContact CA-O 3.26Å |
| 88 | L | 75.3 | Confident | 78.8 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.9 | 172.3 | -174.9 | 69.6 | 0 | 0 | 0 | 108.4 | L90 V95 V100 | L88-L90 PolarHBondContact O-N 3.24Å; L88-L90 VanDerWaalsContact O-N 3.14Å; L88-V95 PolarHBondContact N-O 2.87Å; L88-V95 PolarHBondContact O-N 2.95Å; L88-V100 HydrophobicContact CD2-CG1 4.38Å; L88-V100 HydrophobicContact CD2-CG2 4.18Å |
| 89 | K | 73.1 | Confident | 79.2 | Confident | 166 Ų | 166 | 95.5 Ų | 95.5 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 105.1 | 170.1 | -83.2 | -175.5 | 178.2 | -176.1 | 0 | 109.3 | P87 N94 | P87-K89 PolarHBondContact O-N 2.82Å; K89-N94 WeakPolarHBondContact CG-OD1 3.29Å |
| 90 | L | 72.7 | Confident | 79.5 | Confident | 75 Ų | 75 | 93.7 Ų | 93.7 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 104.8 | 170.3 | -175.5 | 69.3 | 0 | 0 | 0 | 108.7 | L88 A92 W93 V95 | L88-L90 PolarHBondContact O-N 3.24Å; L88-L90 VanDerWaalsContact O-N 3.14Å; L90-A92 PolarHBondContact O-N 3.23Å; L90-W93 PolarHBondContact N-O 3.41Å; L90-W93 PolarHBondContact O-N 3.27Å; L90-V95 HydrophobicContact CB-CG2 3.92Å |
| 91 | F | 80.8 | Confident | 79.9 | Confident | 194 Ų | 194 | 87 Ų | 87 | 85% | 0.851 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -125.4 | -171.8 | -166.3 | -111.9 | 0 | 0 | 0 | 109.9 | W93 | F91-W93 VanDerWaalsContact C-N 3.34Š|
| 92 | A | 81.1 | Confident | 80.4 | Confident | 84 Ų | 84 | 87 Ų | 87 | 69% | 0.694 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 0.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L90 | L90-A92 PolarHBondContact O-N 3.23Š|
| 93 | W | 81.4 | Confident | 81.1 | Confident | 196 Ų | 196 | 83.1 Ų | 83.1 | 74% | 0.742 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.4 | -171.3 | -57.5 | 77 | 0 | 0 | 0 | 111.5 | L90 F91 V95 | L90-W93 PolarHBondContact N-O 3.41Å; L90-W93 PolarHBondContact O-N 3.27Å; F91-W93 VanDerWaalsContact C-N 3.34Å; W93-V95 PolarHBondContact O-N 3.36Å |
| 94 | N | 82.7 | Confident | 81.9 | Confident | 107 Ų | 107 | 80.6 Ų | 80.6 | 57% | 0.572 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 110.6 | 168.2 | -72.2 | -35.3 | 0 | 0 | 0 | 108.8 | P87 K89 | P87-N94 HydrophobicContact CB-CB 3.95Å; P87-N94 HydrophobicContact CG-CB 4.23Å; K89-N94 WeakPolarHBondContact CG-OD1 3.29Å |
| 95 | V | 85.4 | Confident | 83 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129 | -179 | -172.1 | 0 | 0 | 0 | 0 | 109.7 | P87 L88 L90 W93 I99 V100 | P87-V95 WeakPolarHBondContact CA-O 3.26Å; L88-V95 PolarHBondContact N-O 2.87Å; L88-V95 PolarHBondContact O-N 2.95Å; L90-V95 HydrophobicContact CB-CG2 3.92Å; W93-V95 PolarHBondContact O-N 3.36Å; V95-I99 HydrophobicContact CG1-CB 4.13Å; V95-I99 HydrophobicContact CG1-CG2 4.25Å; V95-V100 HydrophobicContact CB-CG2 4.35Å; V95-V100 HydrophobicContact CG1-CG2 3.85Å |
| 96 | H | 87.4 | Confident | 84 | Confident | 91 Ų | 91 | 75 Ų | 75 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | trans | -63.1 | 134.3 | 177.1 | -170.9 | -83.2 | 0 | 0 | 0 | 110.6 | L98 I99 | H96-L98 WeakPolarHBondContact ND1-CB 3.49Å; H96-L98 PolarHBondContact ND1-N 2.96Å; H96-L98 VanDerWaalsContact ND1-N 3.17Å; H96-L98 PolarHBondContact O-N 3.37Å; H96-L98 VanDerWaalsContact O-N 3.14Å; H96-I99 HydrophobicContact CB-CD1 4.27Å; H96-I99 HydrophobicContact CB-CG1 4.45Å; H96-I99 WeakPolarHBondContact O-CB 3.5Å; H96-I99 PolarHBondContact O-N 2.87Å | ||
| 97 | P | 85.5 | Confident | 84.9 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.4 | -33.8 | -174.4 | 19.3 | -32.1 | 0 | 0 | 0 | 113.5 | I72 I99 V100 R101 | I72-P97 HydrophobicContact CD1-CB 4.22Å; I72-P97 HydrophobicContact CD1-CG 4.36Å; P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.48Å; P97-V100 PolarHBondContact O-N 3.34Å; P97-V100 VanDerWaalsContact O-N 3.14Å; P97-R101 WeakPolarHBondContact O-CG 3.47Å; P97-R101 PolarHBondContact O-N 2.74Å |
| 98 | L | 89.9 | Confident | 85.6 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.3 | -43.9 | 175 | -176.2 | 63.1 | 0 | 0 | 0 | 112.4 | E68 W69 I72 H96 V100 R101 V102 | E68-L98 HydrophobicContact CB-CD1 3.73Å; W69-L98 HydrophobicContact CB-CD1 4.2Å; W69-L98 HydrophobicContact CB-CD2 4.47Å; I72-L98 VanDerWaalsContact CD1-CA 3.5Å; I72-L98 HydrophobicContact CD1-CB 3.85Å; I72-L98 HydrophobicContact CD1-CD1 4.12Å; H96-L98 WeakPolarHBondContact ND1-CB 3.49Å; H96-L98 PolarHBondContact ND1-N 2.96Å; H96-L98 VanDerWaalsContact ND1-N 3.17Å; H96-L98 PolarHBondContact O-N 3.37Å; H96-L98 VanDerWaalsContact O-N 3.14Å; L98-V100 VanDerWaalsContact C-N 3.32Å; L98-V100 PolarHBondContact O-N 3.41Å; L98-R101 PolarHBondContact O-N 2.86Å; L98-V102 HydrophobicContact CD1-CG2 3.97Å; L98-V102 HydrophobicContact CG-CG2 4.23Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.39Å |
| 99 | I | 90.6 | Very high | 86.4 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 55% | 0.554 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | -178.2 | -61.1 | 173.3 | 0 | 0 | 0 | 109.9 | V95 H96 P97 Y103 | V95-I99 HydrophobicContact CG1-CB 4.13Å; V95-I99 HydrophobicContact CG1-CG2 4.25Å; H96-I99 HydrophobicContact CB-CD1 4.27Å; H96-I99 HydrophobicContact CB-CG1 4.45Å; H96-I99 WeakPolarHBondContact O-CB 3.5Å; H96-I99 PolarHBondContact O-N 2.87Å; P97-I99 VanDerWaalsContact C-N 3.28Å; P97-I99 PolarHBondContact O-N 3.48Å; I99-Y103 WeakPolarHBondContact O-CB 3.5Å; I99-Y103 PolarHBondContact O-N 2.94Å |
| 100 | V | 87.9 | Confident | 87.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 178.6 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | L88 V95 P97 L98 Y103 F104 | L88-V100 HydrophobicContact CD2-CG1 4.38Å; L88-V100 HydrophobicContact CD2-CG2 4.18Å; V95-V100 HydrophobicContact CB-CG2 4.35Å; V95-V100 HydrophobicContact CG1-CG2 3.85Å; P97-V100 PolarHBondContact O-N 3.34Å; P97-V100 VanDerWaalsContact O-N 3.14Å; L98-V100 VanDerWaalsContact C-N 3.32Å; L98-V100 PolarHBondContact O-N 3.41Å; V100-Y103 PolarHBondContact O-N 3.41Å; V100-F104 WeakPolarHBondContact O-CB 3.15Å; V100-F104 PolarHBondContact O-N 3.18Å |
| 101 | R | 88.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -45.1 | -179.1 | -64.4 | -170.4 | -174.7 | 169.8 | -2.3 | 112.4 | E68 I72 E76 P97 L98 Y103 F104 F105 A261 | E68-R101 HydrophobicContact CG-CB 4.21Å; E68-R101 WeakPolarHBondContact OE2-CD 3.4Å; E68-R101 IonicContact OE2-NH1 3.69Å; I72-R101 VanDerWaalsContact CG1-NH1 3.34Å; E76-R101 IonicContact OE1-CZ 3.44Å; E76-R101 IonicContact OE1-NH1 2.75Å; E76-R101 PolarHBondContact OE1-NH1 3.43Å; E76-R101 IonicContact OE1-NH2 3.33Å; E76-R101 PolarHBondContact OE1-NH2 3.16Å; E76-R101 IonicContact OE2-CZ 3.28Å; E76-R101 VanDerWaalsContact OE2-CZ 3.28Å; E76-R101 IonicContact OE2-NH1 2.89Å; E76-R101 PolarHBondContact OE2-NH1 3.32Å; E76-R101 IonicContact OE2-NH2 2.79Å; E76-R101 PolarHBondContact OE2-NH2 3.14Å; P97-R101 WeakPolarHBondContact O-CG 3.47Å; P97-R101 PolarHBondContact O-N 2.74Å; L98-R101 PolarHBondContact O-N 2.86Å; R101-Y103 PolarHBondContact O-N 3.05Å; R101-F104 WeakPolarHBondContact O-CB 3.09Å; R101-F104 PolarHBondContact O-N 2.89Å; R101-F104 VanDerWaalsContact O-N 3.16Å; R101-F105 HydrophobicContact CB-CD2 4.48Å; R101-F105 HydrophobicContact CB-CE2 4.42Å; R101-F105 WeakPolarHBondContact O-CD2 3.39Å; R101-F105 PolarHBondContact O-N 3.23Å; R101-A261 PolarHBondContact NH2-O 2.84Å |
| 102 | V | 91.6 | Very high | 88.9 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.5 | 171 | 0 | 0 | 0 | 0 | 110 | I65 L98 F104 F105 V106 | I65-V102 HydrophobicContact CG1-CG1 4.06Å; I65-V102 HydrophobicContact CG1-CG2 4.1Å; L98-V102 HydrophobicContact CD1-CG2 3.97Å; L98-V102 HydrophobicContact CG-CG2 4.23Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.38Å; L98-V102 PolarHBondContact O-N 3.39Å; V102-F104 VanDerWaalsContact C-N 3.28Å; V102-F104 PolarHBondContact O-N 3.43Å; V102-F105 PolarHBondContact O-N 3.39Å; V102-V106 HydrophobicContact CG1-CG2 3.83Å; V102-V106 WeakPolarHBondContact O-CB 3.38Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 2.85Å |
| 103 | Y | 89.8 | Confident | 89.6 | Confident | 103 Ų | 103 | 48 Ų | 48 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 176 | 173.9 | -96.2 | 0 | 0 | 0 | 112.7 | R6 I99 V100 R101 G107 | R6-Y103 PolarHBondContact NH1-O 3.28Å; I99-Y103 WeakPolarHBondContact O-CB 3.5Å; I99-Y103 PolarHBondContact O-N 2.94Å; V100-Y103 PolarHBondContact O-N 3.41Å; R101-Y103 PolarHBondContact O-N 3.05Å; Y103-G107 PolarHBondContact O-N 3.38Å; Y103-G107 VanDerWaalsContact O-N 3.09Å |
| 104 | F | 89 | Confident | 90.2 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -61.5 | 177.9 | -177.2 | -96.2 | 0 | 0 | 0 | 110.5 | R6 V100 R101 V102 G107 Y108 V253 Q256 V260 | R6-F104 PolarHBondContact NH1-O 2.96Å; R6-F104 PolarHBondContact NH2-O 3.35Å; V100-F104 WeakPolarHBondContact O-CB 3.15Å; V100-F104 PolarHBondContact O-N 3.18Å; R101-F104 WeakPolarHBondContact O-CB 3.09Å; R101-F104 PolarHBondContact O-N 2.89Å; R101-F104 VanDerWaalsContact O-N 3.16Å; V102-F104 VanDerWaalsContact C-N 3.28Å; V102-F104 PolarHBondContact O-N 3.43Å; F104-G107 PolarHBondContact O-N 2.85Å; F104-Y108 HydrophobicContact CD1-CD2 4.17Å; F104-Y108 HydrophobicContact CD1-CE2 4.11Å; F104-Y108 HydrophobicContact CD2-CD2 4.49Å; F104-Y108 AromaticContact CD2-CE2 3.8Å; F104-Y108 HydrophobicContact CD2-CE2 3.8Å; F104-Y108 HydrophobicContact CE1-CD2 4Å; F104-Y108 AromaticContact CE1-CE2 3.72Å; F104-Y108 HydrophobicContact CE1-CE2 3.72Å; F104-Y108 HydrophobicContact CE2-CD2 4.35Å; F104-Y108 AromaticContact CE2-CE2 3.39Å; F104-Y108 HydrophobicContact CE2-CE2 3.39Å; F104-Y108 HydrophobicContact CG-CD2 4.42Å; F104-Y108 HydrophobicContact CG-CE2 4.15Å; F104-Y108 HydrophobicContact CZ-CD2 4.1Å; F104-Y108 AromaticContact CZ-CE2 3.34Å; F104-Y108 HydrophobicContact CZ-CE2 3.34Å; F104-Y108 AromaticContact CZ-CZ 3.99Å; F104-Y108 WeakPolarHBondContact O-CD2 3.33Å; F104-Y108 PolarHBondContact O-N 2.91Å; F104-V253 HydrophobicContact CE1-CG1 4.2Å; F104-Q256 HydrophobicContact CZ-CB 4.18Å; F104-V260 HydrophobicContact CD2-CG1 4.35Å; F104-V260 HydrophobicContact CD2-CG2 4.1Å; F104-V260 HydrophobicContact CE2-CG2 3.67Å; F104-V260 HydrophobicContact CG-CG1 4.4Å; F104-V260 HydrophobicContact CZ-CG2 3.98Å |
| 105 | F | 91.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.4 | -43.9 | -174.2 | -68.4 | -62.2 | 0 | 0 | 0 | 113.4 | I64 E68 R101 V102 G107 Y108 F109 Y191 V253 | I64-F105 HydrophobicContact CD1-CB 4.2Å; I64-F105 HydrophobicContact CG1-CB 4.38Å; I64-F105 HydrophobicContact CG2-CB 3.83Å; E68-F105 HydrophobicContact CG-CD2 4.19Å; E68-F105 HydrophobicContact CG-CE2 4.37Å; R101-F105 HydrophobicContact CB-CD2 4.48Å; R101-F105 HydrophobicContact CB-CE2 4.42Å; R101-F105 WeakPolarHBondContact O-CD2 3.39Å; R101-F105 PolarHBondContact O-N 3.23Å; V102-F105 PolarHBondContact O-N 3.39Å; F105-G107 PolarHBondContact O-N 2.99Å; F105-Y108 PolarHBondContact O-N 3.1Å; F105-F109 WeakPolarHBondContact O-CB 3.44Å; F105-F109 PolarHBondContact O-N 3.17Å; F105-Y191 HydrophobicContact CB-CE2 4.1Å; F105-Y191 HydrophobicContact CD1-CD2 4.2Å; F105-Y191 AromaticContact CD1-CE2 3.59Å; F105-Y191 HydrophobicContact CD1-CE2 3.59Å; F105-Y191 AromaticContact CD2-CE2 3.95Å; F105-Y191 HydrophobicContact CD2-CE2 3.95Å; F105-Y191 AromaticContact CE1-CE2 3.94Å; F105-Y191 HydrophobicContact CE1-CE2 3.94Å; F105-Y191 HydrophobicContact CE2-CE2 4.28Å; F105-Y191 AromaticContact CG-CE2 3.61Å; F105-Y191 HydrophobicContact CG-CE2 3.61Å; F105-Y191 HydrophobicContact CZ-CE2 4.28Å; F105-V253 HydrophobicContact CD1-CG1 3.89Å; F105-V253 HydrophobicContact CE1-CG1 3.78Å |
| 106 | V | 92.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 34 Ų | 34 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -39.5 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | L61 I64 V102 Y108 F109 L110 | L61-V106 HydrophobicContact CD2-CB 4.14Å; L61-V106 HydrophobicContact CD2-CG1 3.59Å; L61-V106 HydrophobicContact CD2-CG2 3.64Å; I64-V106 HydrophobicContact CD1-CG2 4.2Å; I64-V106 HydrophobicContact CG2-CG2 4.18Å; V102-V106 HydrophobicContact CG1-CG2 3.83Å; V102-V106 WeakPolarHBondContact O-CB 3.38Å; V102-V106 WeakPolarHBondContact O-CG2 3.43Å; V102-V106 PolarHBondContact O-N 2.85Å; V106-Y108 PolarHBondContact O-N 3.26Å; V106-F109 PolarHBondContact O-N 3.36Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.08Å; V106-L110 WeakPolarHBondContact O-CB 3.39Å; V106-L110 VanDerWaalsContact O-CG 3.32Å; V106-L110 WeakPolarHBondContact O-CG 3.31Å; V106-L110 PolarHBondContact O-N 2.82Å |
| 107 | G | 90.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y103 F104 F105 F111 | Y103-G107 PolarHBondContact O-N 3.38Å; Y103-G107 VanDerWaalsContact O-N 3.09Å; F104-G107 PolarHBondContact O-N 2.85Å; F105-G107 PolarHBondContact O-N 2.99Å; G107-F111 WeakPolarHBondContact O-CB 3.45Å; G107-F111 PolarHBondContact O-N 3.35Å; G107-F111 VanDerWaalsContact O-N 3.11Å |
| 108 | Y | 90.7 | Very high | 92 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.2 | -39.6 | 176 | -78 | -84 | 0 | 0 | 0 | 112.2 | F104 F105 V106 F111 G112 V253 Q256 | F104-Y108 HydrophobicContact CD1-CD2 4.17Å; F104-Y108 HydrophobicContact CD1-CE2 4.11Å; F104-Y108 HydrophobicContact CD2-CD2 4.49Å; F104-Y108 AromaticContact CD2-CE2 3.8Å; F104-Y108 HydrophobicContact CD2-CE2 3.8Å; F104-Y108 HydrophobicContact CE1-CD2 4Å; F104-Y108 AromaticContact CE1-CE2 3.72Å; F104-Y108 HydrophobicContact CE1-CE2 3.72Å; F104-Y108 HydrophobicContact CE2-CD2 4.35Å; F104-Y108 AromaticContact CE2-CE2 3.39Å; F104-Y108 HydrophobicContact CE2-CE2 3.39Å; F104-Y108 HydrophobicContact CG-CD2 4.42Å; F104-Y108 HydrophobicContact CG-CE2 4.15Å; F104-Y108 HydrophobicContact CZ-CD2 4.1Å; F104-Y108 AromaticContact CZ-CE2 3.34Å; F104-Y108 HydrophobicContact CZ-CE2 3.34Å; F104-Y108 AromaticContact CZ-CZ 3.99Å; F104-Y108 WeakPolarHBondContact O-CD2 3.33Å; F104-Y108 PolarHBondContact O-N 2.91Å; F105-Y108 PolarHBondContact O-N 3.1Å; V106-Y108 PolarHBondContact O-N 3.26Å; Y108-F111 PolarHBondContact O-N 2.97Å; Y108-G112 PolarHBondContact O-N 3.06Å; Y108-V253 VanDerWaalsContact CB-CG2 3.49Å; Y108-V253 HydrophobicContact CD1-CG2 3.33Å; Y108-V253 HydrophobicContact CD2-CG2 3.79Å; Y108-V253 HydrophobicContact CE1-CG2 3.93Å; Y108-V253 HydrophobicContact CE2-CG2 4.41Å; Y108-V253 HydrophobicContact CG-CG2 3.26Å; Y108-Q256 PolarHBondContact OH-OE1 3.49Å |
| 109 | F | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -49.8 | 175.1 | 173.1 | -107.1 | 0 | 0 | 0 | 111.6 | A56 F57 P60 L61 I64 F105 V106 F111 G112 A113 Y183 A184 F187 | A56-F109 WeakPolarHBondContact O-CZ 3.29Å; F57-F109 AromaticContact CD1-CE1 3.8Å; F57-F109 HydrophobicContact CD1-CE1 3.8Å; F57-F109 HydrophobicContact CD1-CZ 4.32Å; F57-F109 HydrophobicContact CE1-CE1 4.27Å; P60-F109 HydrophobicContact CB-CD1 4.46Å; P60-F109 HydrophobicContact CB-CD2 4.15Å; P60-F109 HydrophobicContact CB-CE1 4.1Å; P60-F109 HydrophobicContact CB-CE2 3.77Å; P60-F109 HydrophobicContact CB-CG 4.48Å; P60-F109 HydrophobicContact CB-CZ 3.76Å; P60-F109 HydrophobicContact CG-CE1 4.31Å; P60-F109 HydrophobicContact CG-CE2 3.73Å; P60-F109 HydrophobicContact CG-CZ 3.59Å; L61-F109 HydrophobicContact CD2-CD1 4.06Å; L61-F109 HydrophobicContact CD2-CE1 4.42Å; I64-F109 HydrophobicContact CD1-CB 4.45Å; F105-F109 WeakPolarHBondContact O-CB 3.44Å; F105-F109 PolarHBondContact O-N 3.17Å; V106-F109 PolarHBondContact O-N 3.36Å; F109-F111 VanDerWaalsContact C-N 3.34Å; F109-F111 PolarHBondContact O-N 2.93Å; F109-G112 PolarHBondContact O-N 2.92Å; F109-A113 PolarHBondContact O-N 3.31Å; F109-Y183 WeakPolarHBondContact CA-OH 3.45Å; F109-Y183 AromaticContact CD2-CE1 3.85Å; F109-Y183 HydrophobicContact CD2-CE1 3.85Å; F109-Y183 HydrophobicContact CE2-CD1 4.32Å; F109-Y183 AromaticContact CE2-CE1 3.61Å; F109-Y183 HydrophobicContact CE2-CE1 3.61Å; F109-Y183 HydrophobicContact CZ-CE1 4.42Å; F109-Y183 PolarHBondContact O-OH 3.41Å; F109-A184 HydrophobicContact CE2-CB 4.18Å; F109-A184 HydrophobicContact CZ-CB 4.29Å; F109-F187 HydrophobicContact CB-CD1 4.48Å; F109-F187 HydrophobicContact CB-CE1 3.89Å; F109-F187 HydrophobicContact CB-CE2 4.37Å; F109-F187 HydrophobicContact CB-CZ 3.82Å; F109-F187 HydrophobicContact CD2-CB 4.5Å; F109-F187 AromaticContact CD2-CD1 3.56Å; F109-F187 HydrophobicContact CD2-CD1 3.56Å; F109-F187 HydrophobicContact CD2-CD2 4.38Å; F109-F187 AromaticContact CD2-CE1 3.83Å; F109-F187 HydrophobicContact CD2-CE1 3.83Å; F109-F187 AromaticContact CD2-CG 3.89Å; F109-F187 HydrophobicContact CD2-CG 3.89Å; F109-F187 HydrophobicContact CD2-CZ 4.34Å; F109-F187 HydrophobicContact CE2-CD1 4.29Å; F109-F187 HydrophobicContact CG-CD1 4.38Å; F109-F187 HydrophobicContact CG-CE1 4.21Å |
| 110 | L | 93.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 179.4 | -67.3 | 178.3 | 0 | 0 | 0 | 112.4 | L10 F57 V106 G112 A113 A114 | L10-L110 HydrophobicContact CD2-CB 3.99Å; F57-L110 HydrophobicContact CD1-CD2 3.98Å; F57-L110 HydrophobicContact CE1-CD2 3.9Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.08Å; V106-L110 WeakPolarHBondContact O-CB 3.39Å; V106-L110 VanDerWaalsContact O-CG 3.32Å; V106-L110 WeakPolarHBondContact O-CG 3.31Å; V106-L110 PolarHBondContact O-N 2.82Å; L110-G112 VanDerWaalsContact C-N 3.33Å; L110-A113 PolarHBondContact O-N 3.29Å; L110-A114 WeakPolarHBondContact O-CB 3.16Å; L110-A114 PolarHBondContact O-N 3.38Å |
| 111 | F | 91.8 | Very high | 92.9 | Very high | 72 Ų | 72 | 29.7 Ų | 29.7 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 173.9 | 173.9 | -101.3 | 0 | 0 | 0 | 111.2 | V13 G107 Y108 F109 A114 A115 L249 | V13-F111 HydrophobicContact CG2-CD2 4.44Å; V13-F111 HydrophobicContact CG2-CE2 4.05Å; G107-F111 WeakPolarHBondContact O-CB 3.45Å; G107-F111 PolarHBondContact O-N 3.35Å; G107-F111 VanDerWaalsContact O-N 3.11Å; Y108-F111 PolarHBondContact O-N 2.97Å; F109-F111 VanDerWaalsContact C-N 3.34Å; F109-F111 PolarHBondContact O-N 2.93Å; F111-A114 PolarHBondContact O-N 2.98Å; F111-A115 WeakPolarHBondContact O-CB 3.41Å; F111-A115 PolarHBondContact O-N 2.94Å; F111-L249 HydrophobicContact CD1-CD2 3.77Å; F111-L249 HydrophobicContact CE1-CD2 3.86Å |
| 112 | G | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y108 F109 L110 A114 A115 N116 Y183 | Y108-G112 PolarHBondContact O-N 3.06Å; F109-G112 PolarHBondContact O-N 2.92Å; L110-G112 VanDerWaalsContact C-N 3.33Å; G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 3.45Å; G112-A115 PolarHBondContact O-N 3.05Å; G112-N116 WeakPolarHBondContact O-CB 3.15Å; G112-N116 PolarHBondContact O-N 3.19Å; G112-Y183 VanDerWaalsContact C-CZ 3.43Å; G112-Y183 VanDerWaalsContact CA-OH 3.31Å; G112-Y183 WeakPolarHBondContact CA-OH 3.05Å |
| 113 | A | 95.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F57 F109 L110 Q117 L180 Y183 | F57-A113 HydrophobicContact CE1-CB 4.07Å; F57-A113 HydrophobicContact CZ-CB 4.3Å; F109-A113 PolarHBondContact O-N 3.31Å; L110-A113 PolarHBondContact O-N 3.29Å; A113-Q117 WeakPolarHBondContact O-CB 3.42Å; A113-Q117 PolarHBondContact O-N 3.34Å; A113-L180 HydrophobicContact CB-CD1 4.37Å; A113-Y183 HydrophobicContact CB-CD1 4.25Å; A113-Y183 HydrophobicContact CB-CE1 3.77Å |
| 114 | A | 93.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 10% | 0.099 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 I17 L110 F111 G112 N116 Q117 L118 | V13-A114 HydrophobicContact CB-CB 4.1Å; V13-A114 HydrophobicContact CG1-CB 3.62Å; I17-A114 HydrophobicContact CD1-CB 4.49Å; I17-A114 WeakPolarHBondContact CD1-O 3.47Å; L110-A114 WeakPolarHBondContact O-CB 3.16Å; L110-A114 PolarHBondContact O-N 3.38Å; F111-A114 PolarHBondContact O-N 2.98Å; G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 3.45Å; A114-N116 VanDerWaalsContact C-N 3.31Å; A114-N116 PolarHBondContact O-N 2.94Å; A114-Q117 PolarHBondContact O-N 2.99Å; A114-L118 WeakPolarHBondContact O-CB 3.44Å; A114-L118 PolarHBondContact O-N 3.33Å |
| 115 | A | 93.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 24% | 0.24 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F111 G112 L118 F119 | F111-A115 WeakPolarHBondContact O-CB 3.41Å; F111-A115 PolarHBondContact O-N 2.94Å; G112-A115 PolarHBondContact O-N 3.05Å; A115-L118 PolarHBondContact O-N 2.76Å; A115-F119 WeakPolarHBondContact O-CB 3.26Å; A115-F119 PolarHBondContact O-N 3.12Å |
| 116 | N | 96 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.3 | -177 | 77.3 | 0 | 0 | 0 | 112.7 | G112 A114 T120 S179 Y183 G242 I245 | G112-N116 WeakPolarHBondContact O-CB 3.15Å; G112-N116 PolarHBondContact O-N 3.19Å; A114-N116 VanDerWaalsContact C-N 3.31Å; A114-N116 PolarHBondContact O-N 2.94Å; N116-T120 WeakPolarHBondContact O-CB 3.17Å; N116-T120 PolarHBondContact O-N 3.44Å; N116-T120 PolarHBondContact O-OG1 3.11Å; N116-S179 PolarHBondContact ND2-OG 3.16Å; N116-S179 PolarHBondContact OD1-OG 3.32Å; N116-Y183 HydrophobicContact CB-CG 4.31Å; N116-G242 VanDerWaalsContact OD1-CA 3.3Å; N116-G242 WeakPolarHBondContact OD1-CA 3.26Å; N116-I245 VanDerWaalsContact CA-CD1 3.48Å; N116-I245 HydrophobicContact CB-CD1 3.91Å; N116-I245 HydrophobicContact CB-CG2 4.22Å |
| 117 | Q | 95.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 16% | 0.159 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 176.6 | -178.8 | 62.5 | 27.2 | 0 | 0 | 111.1 | I17 K21 A113 A114 F119 T120 D121 | I17-Q117 HydrophobicContact CD1-CB 4Å; I17-Q117 HydrophobicContact CD1-CG 3.98Å; I17-Q117 HydrophobicContact CG1-CG 4.41Å; I17-Q117 HydrophobicContact CG2-CG 3.91Å; K21-Q117 VanDerWaalsContact NZ-NE2 3.2Å; A113-Q117 WeakPolarHBondContact O-CB 3.42Å; A113-Q117 PolarHBondContact O-N 3.34Å; A114-Q117 PolarHBondContact O-N 2.99Å; Q117-F119 PolarHBondContact O-N 3.17Å; Q117-T120 PolarHBondContact O-N 3.22Å; Q117-D121 PolarHBondContact NE2-OD1 3.09Å; Q117-D121 PolarHBondContact NE2-OD2 3.25Å; Q117-D121 WeakPolarHBondContact O-CB 3.49Å; Q117-D121 VanDerWaalsContact O-CG 3.28Å; Q117-D121 PolarHBondContact O-N 3.43Å |
| 118 | L | 94.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 178.8 | 179 | 58.8 | 0 | 0 | 0 | 111.7 | V13 P16 I17 L20 A114 A115 T120 D121 I122 | V13-L118 HydrophobicContact CG1-CB 4.44Å; V13-L118 HydrophobicContact CG1-CD2 4.14Å; P16-L118 HydrophobicContact CB-CD1 3.91Å; I17-L118 HydrophobicContact CD1-CB 4.2Å; I17-L118 HydrophobicContact CG1-CB 3.9Å; I17-L118 HydrophobicContact CG1-CD1 4.11Å; L20-L118 HydrophobicContact CD1-CD1 3.94Å; A114-L118 WeakPolarHBondContact O-CB 3.44Å; A114-L118 PolarHBondContact O-N 3.33Å; A115-L118 PolarHBondContact O-N 2.76Å; L118-T120 VanDerWaalsContact C-N 3.34Å; L118-T120 PolarHBondContact O-N 3.42Å; L118-D121 PolarHBondContact O-N 3.42Å; L118-I122 HydrophobicContact CD1-CD1 4.14Å; L118-I122 HydrophobicContact CD1-CG1 4.26Å; L118-I122 HydrophobicContact CG-CD1 4.02Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.33Å; L118-I122 PolarHBondContact O-N 2.99Å |
| 119 | F | 94.8 | Very high | 94.7 | Very high | 122 Ų | 122 | 34.6 Ų | 34.6 | 54% | 0.535 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 179.3 | -168.5 | -85.6 | 0 | 0 | 0 | 111.9 | A115 Q117 G123 I241 I245 | A115-F119 WeakPolarHBondContact O-CB 3.26Å; A115-F119 PolarHBondContact O-N 3.12Å; Q117-F119 PolarHBondContact O-N 3.17Å; F119-G123 PolarHBondContact O-N 3.02Å; F119-I241 HydrophobicContact CD1-CD1 3.94Å; F119-I241 HydrophobicContact CD1-CG1 4.12Å; F119-I241 HydrophobicContact CD1-CG2 3.62Å; F119-I241 HydrophobicContact CE1-CD1 3.83Å; F119-I241 HydrophobicContact CE1-CG1 3.88Å; F119-I241 HydrophobicContact CE1-CG2 4.18Å; F119-I241 HydrophobicContact CG-CG2 4.44Å; F119-I245 HydrophobicContact CB-CD1 4.28Å |
| 120 | T | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | N116 Q117 L118 G123 K124 P174 G176 S179 | N116-T120 WeakPolarHBondContact O-CB 3.17Å; N116-T120 PolarHBondContact O-N 3.44Å; N116-T120 PolarHBondContact O-OG1 3.11Å; Q117-T120 PolarHBondContact O-N 3.22Å; L118-T120 VanDerWaalsContact C-N 3.34Å; L118-T120 PolarHBondContact O-N 3.42Å; T120-G123 PolarHBondContact O-N 3.44Å; T120-K124 HydrophobicContact CG2-CD 4.41Å; T120-K124 WeakPolarHBondContact O-CG 3.34Å; T120-K124 PolarHBondContact O-N 2.91Å; T120-P174 HydrophobicContact CG2-CG 3.87Å; T120-G176 VanDerWaalsContact CG2-CA 3.5Å; T120-S179 PolarHBondContact OG1-OG 2.96Å; T120-S179 VanDerWaalsContact OG1-OG 3.09Å |
| 121 | D | 94.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | -178.9 | -73.7 | -17 | 0 | 0 | 0 | 110.9 | L20 K21 Q117 L118 G123 K124 Y125 | L20-D121 HydrophobicContact CD1-CB 4.08Å; K21-D121 WeakPolarHBondContact CE-OD2 3.21Å; Q117-D121 PolarHBondContact NE2-OD1 3.09Å; Q117-D121 PolarHBondContact NE2-OD2 3.25Å; Q117-D121 WeakPolarHBondContact O-CB 3.49Å; Q117-D121 VanDerWaalsContact O-CG 3.28Å; Q117-D121 PolarHBondContact O-N 3.43Å; L118-D121 PolarHBondContact O-N 3.42Å; D121-G123 VanDerWaalsContact C-N 3.27Å; D121-G123 PolarHBondContact O-N 3.37Å; D121-K124 WeakPolarHBondContact O-CB 3.29Å; D121-K124 PolarHBondContact O-N 3.45Å; D121-Y125 HydrophobicContact CB-CD2 4.39Å; D121-Y125 HydrophobicContact CB-CE2 4.42Å; D121-Y125 WeakPolarHBondContact O-CD2 3.33Å; D121-Y125 PolarHBondContact O-N 3.19Å |
| 122 | I | 93.6 | Very high | 95.4 | Very high | 84 Ų | 84 | 30.2 Ų | 30.2 | 43% | 0.431 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -51.8 | -49.5 | 172.7 | -70 | 165.1 | 0 | 0 | 0 | 110.3 | L20 L118 K124 Y125 V126 | L20-I122 HydrophobicContact CD1-CG1 4.32Å; L118-I122 HydrophobicContact CD1-CD1 4.14Å; L118-I122 HydrophobicContact CD1-CG1 4.26Å; L118-I122 HydrophobicContact CG-CD1 4.02Å; L118-I122 VanDerWaalsContact O-CG1 3.28Å; L118-I122 WeakPolarHBondContact O-CG1 3.33Å; L118-I122 PolarHBondContact O-N 2.99Å; I122-K124 PolarHBondContact O-N 3.47Å; I122-Y125 PolarHBondContact O-N 2.92Å; I122-V126 HydrophobicContact CG2-CG2 4.12Å; I122-V126 VanDerWaalsContact O-CB 3.29Å; I122-V126 WeakPolarHBondContact O-CB 3.43Å; I122-V126 WeakPolarHBondContact O-CG2 3.44Å; I122-V126 PolarHBondContact O-N 3.32Å |
| 123 | G | 94.7 | Very high | 95.6 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F119 T120 D121 Y125 I127 F173 | F119-G123 PolarHBondContact O-N 3.02Å; T120-G123 PolarHBondContact O-N 3.44Å; D121-G123 VanDerWaalsContact C-N 3.27Å; D121-G123 PolarHBondContact O-N 3.37Å; G123-Y125 PolarHBondContact O-N 2.85Å; G123-I127 WeakPolarHBondContact O-CB 3.24Å; G123-I127 WeakPolarHBondContact O-CG1 3.34Å; G123-I127 PolarHBondContact O-N 3.44Å; G123-F173 CarbonylContact C-O 3.48Å |
| 124 | K | 96.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 180 | -70.8 | 178.7 | 171.1 | -60.7 | 0 | 113.2 | T120 D121 I122 G128 L171 S172 F173 P174 H230 | T120-K124 HydrophobicContact CG2-CD 4.41Å; T120-K124 WeakPolarHBondContact O-CG 3.34Å; T120-K124 PolarHBondContact O-N 2.91Å; D121-K124 WeakPolarHBondContact O-CB 3.29Å; D121-K124 PolarHBondContact O-N 3.45Å; I122-K124 PolarHBondContact O-N 3.47Å; K124-G128 PolarHBondContact O-N 3.41Å; K124-L171 HydrophobicContact CB-CB 4.43Å; K124-L171 HydrophobicContact CB-CD2 3.81Å; K124-L171 HydrophobicContact CD-CB 4.34Å; K124-L171 PolarHBondContact NZ-O 3.38Å; K124-S172 PolarHBondContact NZ-O 2.99Å; K124-F173 WeakPolarHBondContact CA-O 3.42Å; K124-F173 PolarHBondContact N-O 2.88Å; K124-P174 WeakPolarHBondContact CE-O 3.24Å; K124-P174 PolarHBondContact NZ-O 3.36Å; K124-H230 PolarHBondContact NZ-CE1 3.38Å |
| 125 | Y | 94.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -77.5 | -35.9 | -175.9 | -75.1 | -81.4 | 0 | 0 | 0 | 112.9 | L20 K21 V24 P26 Y27 D121 I122 G123 L171 | L20-Y125 HydrophobicContact CB-CD2 4.11Å; L20-Y125 HydrophobicContact CB-CE2 4.03Å; L20-Y125 HydrophobicContact CD2-CD2 4.42Å; L20-Y125 WeakPolarHBondContact O-CE1 3.38Å; L20-Y125 VanDerWaalsContact O-CZ 3.26Å; L20-Y125 PolarHBondContact O-OH 3.3Å; K21-Y125 WeakPolarHBondContact CA-OH 3.35Å; V24-Y125 HydrophobicContact CB-CD1 4.21Å; V24-Y125 HydrophobicContact CB-CE1 4.43Å; V24-Y125 HydrophobicContact CG1-CD1 3.88Å; V24-Y125 HydrophobicContact CG1-CG 4.41Å; V24-Y125 VanDerWaalsContact O-CE1 3.27Å; V24-Y125 WeakPolarHBondContact O-CE1 3.33Å; P26-Y125 HydrophobicContact CB-CD1 4.24Å; Y27-Y125 PolarHBondContact N-O 3.01Å; Y27-Y125 VanDerWaalsContact N-O 3.12Å; D121-Y125 HydrophobicContact CB-CD2 4.39Å; D121-Y125 HydrophobicContact CB-CE2 4.42Å; D121-Y125 WeakPolarHBondContact O-CD2 3.33Å; D121-Y125 PolarHBondContact O-N 3.19Å; I122-Y125 PolarHBondContact O-N 2.92Å; G123-Y125 PolarHBondContact O-N 2.85Å; Y125-L171 HydrophobicContact CD1-CD2 4.09Å; Y125-L171 HydrophobicContact CD2-CD2 4.41Å; Y125-L171 HydrophobicContact CE1-CD2 3.94Å; Y125-L171 HydrophobicContact CE2-CD2 4.25Å; Y125-L171 HydrophobicContact CG-CD2 4.31Å |
| 126 | V | 94.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 31 Ų | 31 | 62% | 0.624 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -70.9 | -42.5 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I122 | I122-V126 HydrophobicContact CG2-CG2 4.12Å; I122-V126 VanDerWaalsContact O-CB 3.29Å; I122-V126 WeakPolarHBondContact O-CB 3.43Å; I122-V126 WeakPolarHBondContact O-CG2 3.44Å; I122-V126 PolarHBondContact O-N 3.32Å |
| 127 | I | 95.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -82.5 | -51.5 | -174.9 | -66.3 | 172.7 | 0 | 0 | 0 | 109.7 | R29 G123 R129 F173 | R29-I127 PolarHBondContact NE-O 3.44Å; R29-I127 PolarHBondContact NH2-O 2.85Å; G123-I127 WeakPolarHBondContact O-CB 3.24Å; G123-I127 WeakPolarHBondContact O-CG1 3.34Å; G123-I127 PolarHBondContact O-N 3.44Å; I127-R129 VanDerWaalsContact C-N 3.31Å; I127-R129 HydrophobicContact CG2-CB 3.94Å; I127-R129 PolarHBondContact O-N 2.98Å; I127-F173 HydrophobicContact CD1-CD1 3.3Å; I127-F173 HydrophobicContact CD1-CE1 3.44Å; I127-F173 VanDerWaalsContact CD1-CE1 3.44Å; I127-F173 HydrophobicContact CD1-CG 4.44Å; I127-F173 HydrophobicContact CG1-CD1 4.5Å; I127-F173 HydrophobicContact CG2-CB 4.37Å; I127-F173 HydrophobicContact CG2-CD1 4.36Å |
| 128 | G | 94.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 66.8 | 31.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R29 K124 L130 R170 | R29-G128 WeakPolarHBondContact CD-O 3.44Å; R29-G128 WeakPolarHBondContact CG-O 3.46Å; K124-G128 PolarHBondContact O-N 3.41Å; G128-L130 PolarHBondContact O-N 3.33Å; G128-R170 CarbonylContact C-O 3.56Å; G128-R170 VanDerWaalsContact C-O 3.25Å; G128-R170 WeakPolarHBondContact CA-O 3.07Å | ||
| 129 | R | 97.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 32 Ų | 32 | 25% | 0.253 | 16% | 0.16 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 131.8 | 177.3 | -174.3 | -177.3 | -174.2 | 177.8 | 2.3 | 109.8 | I127 R170 S172 F173 H231 S233 D234 | I127-R129 VanDerWaalsContact C-N 3.31Å; I127-R129 HydrophobicContact CG2-CB 3.94Å; I127-R129 PolarHBondContact O-N 2.98Å; R129-R170 CarbonylContact O-C 2.92Å; R129-R170 VanDerWaalsContact O-O 3.07Å; R129-S172 WeakPolarHBondContact O-CB 3.47Å; R129-S172 PolarHBondContact O-N 2.71Å; R129-F173 HydrophobicContact CB-CB 3.85Å; R129-F173 HydrophobicContact CG-CB 4.48Å; R129-H231 PolarHBondContact NE-CD2 2.79Å; R129-H231 VanDerWaalsContact NE-CD2 3.28Å; R129-H231 VanDerWaalsContact NH2-CG 3.34Å; R129-S233 PolarHBondContact NH1-OG 3.37Å; R129-D234 WeakPolarHBondContact CD-OD1 3.36Å; R129-D234 IonicContact CZ-OD1 3.91Å; R129-D234 IonicContact NE-OD1 2.85Å; R129-D234 IonicContact NH1-OD1 3.74Å; R129-D234 PolarHBondContact NH1-OD1 2.92Å |
| 130 | L | 97.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.063 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 139.4 | 178.1 | -52.3 | 179.8 | 0 | 0 | 0 | 111.4 | F31 I38 G128 F134 R170 H231 | F31-L130 HydrophobicContact CB-CD1 3.81Å; I38-L130 HydrophobicContact CD1-CD1 4.19Å; I38-L130 HydrophobicContact CG2-CB 4.1Å; G128-L130 PolarHBondContact O-N 3.33Å; L130-F134 HydrophobicContact CB-CB 4Å; L130-F134 HydrophobicContact CB-CD1 4.41Å; L130-F134 HydrophobicContact CB-CD2 4.44Å; L130-F134 HydrophobicContact CB-CG 4.02Å; L130-F134 HydrophobicContact CD1-CD1 3.75Å; L130-F134 HydrophobicContact CD1-CE1 3.9Å; L130-F134 HydrophobicContact CD1-CG 4.16Å; L130-F134 HydrophobicContact CD1-CZ 4.44Å; L130-F134 HydrophobicContact CD2-CD1 4.32Å; L130-F134 HydrophobicContact CD2-CD2 3.81Å; L130-F134 HydrophobicContact CD2-CE1 4.3Å; L130-F134 HydrophobicContact CD2-CE2 3.82Å; L130-F134 HydrophobicContact CD2-CG 4.07Å; L130-F134 HydrophobicContact CD2-CZ 4.06Å; L130-F134 HydrophobicContact CG-CD1 4.37Å; L130-F134 HydrophobicContact CG-CG 4.29Å; L130-R170 HydrophobicContact CD2-CB 4.46Å; L130-R170 HydrophobicContact CD2-CG 3.89Å; L130-H231 PolarHBondContact O-NE2 3.12Å; L130-H231 VanDerWaalsContact O-NE2 3.17Å |
| 131 | R | 98 | Very high | 95.6 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 159.7 | 176.8 | -72.3 | -167.2 | 175.9 | 175.3 | 13.3 | 111.6 | H133 F134 D168 A169 L171 K229 | R131-H133 VanDerWaalsContact CD-CE1 3.48Å; R131-H133 WeakPolarHBondContact CD-CE1 3.07Å; R131-H133 PolarHBondContact O-N 3.35Å; R131-F134 VanDerWaalsContact O-CB 3.27Å; R131-F134 WeakPolarHBondContact O-CB 3.37Å; R131-F134 PolarHBondContact O-N 3.01Å; R131-D168 WeakPolarHBondContact CD-O 3.33Å; R131-D168 IonicContact CZ-OD1 3.33Å; R131-D168 IonicContact CZ-OD2 3Å; R131-D168 VanDerWaalsContact CZ-OD2 3.25Å; R131-D168 PolarHBondContact NE-O 3.38Å; R131-D168 VanDerWaalsContact NE-O 3.12Å; R131-D168 IonicContact NH1-OD1 2.76Å; R131-D168 IonicContact NH1-OD2 3.26Å; R131-D168 PolarHBondContact NH1-OD2 3.22Å; R131-D168 VanDerWaalsContact NH2-CG 3.34Å; R131-D168 PolarHBondContact NH2-O 3.39Å; R131-D168 IonicContact NH2-OD1 3.87Å; R131-D168 PolarHBondContact NH2-OD1 3.25Å; R131-D168 IonicContact NH2-OD2 3.24Å; R131-D168 PolarHBondContact NH2-OD2 3.05Å; R131-A169 WeakPolarHBondContact CB-O 3.1Å; R131-A169 WeakPolarHBondContact CG-O 3.27Å; R131-A169 PolarHBondContact N-O 3Å; R131-L171 PolarHBondContact NE-O 3.47Å; R131-L171 PolarHBondContact NH2-O 2.95Å; R131-K229 WeakPolarHBondContact CD-O 3.46Å; R131-K229 VanDerWaalsContact CG-O 3.3Å; R131-K229 WeakPolarHBondContact CG-O 3.15Å; R131-K229 PolarHBondContact NE-O 2.81Å |
| 132 | P | 98.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19 | 179 | -25.8 | 32.8 | 0 | 0 | 0 | 116.3 | S37 I38 R39 Y40 F228 | S37-P132 WeakPolarHBondContact O-CA 3.4Å; S37-P132 WeakPolarHBondContact O-CB 3.28Å; I38-P132 CarbonylContact C-O 3.35Å; I38-P132 WeakPolarHBondContact CA-O 3.29Å; R39-P132 PolarHBondContact N-O 2.86Å; Y40-P132 WeakPolarHBondContact CB-O 3.34Å; Y40-P132 HydrophobicContact CD2-CB 3.91Å; Y40-P132 PolarHBondContact N-O 3.35Å; P132-F228 HydrophobicContact CB-CB 4.11Å; P132-F228 WeakPolarHBondContact CB-O 3.22Å; P132-F228 WeakPolarHBondContact CD-O 3.22Å |
| 133 | H | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 20.2 | 177.3 | 58.8 | -92.6 | 0 | 0 | 0 | 113.7 | Y40 Y42 R131 L135 D136 V137 F228 | Y40-H133 WeakPolarHBondContact O-CA 3.47Å; Y40-H133 WeakPolarHBondContact O-CB 3.28Å; Y42-H133 AromaticContact CD2-CD2 3.5Å; Y42-H133 VanDerWaalsContact CD2-CD2 3.5Å; Y42-H133 WeakPolarHBondContact CD2-CD2 3.31Å; Y42-H133 AromaticContact CD2-NE2 3.83Å; R131-H133 VanDerWaalsContact CD-CE1 3.48Å; R131-H133 WeakPolarHBondContact CD-CE1 3.07Å; R131-H133 PolarHBondContact O-N 3.35Å; H133-L135 PolarHBondContact O-N 3.49Å; H133-D136 PolarHBondContact O-N 2.84Å; H133-V137 PolarHBondContact O-N 2.9Å; H133-F228 PolarHBondContact CE1-O 2.86Å; H133-F228 PolarHBondContact ND1-O 2.84Å |
| 134 | F | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | -174 | 172.1 | -99.2 | 0 | 0 | 0 | 112.9 | F31 I38 L130 R131 D136 V137 C138 F156 L166 A169 R170 | F31-F134 HydrophobicContact CD1-CE1 4.05Å; F31-F134 HydrophobicContact CE1-CE1 4.3Å; I38-F134 HydrophobicContact CB-CB 4.37Å; I38-F134 HydrophobicContact CD1-CD1 4.38Å; I38-F134 PolarHBondContact O-N 3.04Å; L130-F134 HydrophobicContact CB-CB 4Å; L130-F134 HydrophobicContact CB-CD1 4.41Å; L130-F134 HydrophobicContact CB-CD2 4.44Å; L130-F134 HydrophobicContact CB-CG 4.02Å; L130-F134 HydrophobicContact CD1-CD1 3.75Å; L130-F134 HydrophobicContact CD1-CE1 3.9Å; L130-F134 HydrophobicContact CD1-CG 4.16Å; L130-F134 HydrophobicContact CD1-CZ 4.44Å; L130-F134 HydrophobicContact CD2-CD1 4.32Å; L130-F134 HydrophobicContact CD2-CD2 3.81Å; L130-F134 HydrophobicContact CD2-CE1 4.3Å; L130-F134 HydrophobicContact CD2-CE2 3.82Å; L130-F134 HydrophobicContact CD2-CG 4.07Å; L130-F134 HydrophobicContact CD2-CZ 4.06Å; L130-F134 HydrophobicContact CG-CD1 4.37Å; L130-F134 HydrophobicContact CG-CG 4.29Å; R131-F134 VanDerWaalsContact O-CB 3.27Å; R131-F134 WeakPolarHBondContact O-CB 3.37Å; R131-F134 PolarHBondContact O-N 3.01Å; F134-D136 VanDerWaalsContact C-N 3.31Å; F134-D136 PolarHBondContact O-N 2.92Å; F134-V137 PolarHBondContact O-N 3.44Å; F134-C138 HydrophobicContact CD1-CB 4.49Å; F134-C138 HydrophobicContact CE1-CB 4.01Å; F134-C138 HydrophobicContact CE2-CB 4.02Å; F134-C138 HydrophobicContact CZ-CB 3.76Å; F134-C138 WeakPolarHBondContact O-CB 3.45Å; F134-C138 PolarHBondContact O-N 3.22Å; F134-F156 HydrophobicContact CE1-CE2 4.24Å; F134-F156 HydrophobicContact CE1-CZ 4.25Å; F134-F156 AromaticContact CZ-CE2 3.84Å; F134-F156 HydrophobicContact CZ-CE2 3.84Å; F134-F156 AromaticContact CZ-CZ 3.93Å; F134-F156 HydrophobicContact CZ-CZ 3.93Å; F134-L166 HydrophobicContact CE2-CD1 3.92Å; F134-A169 HydrophobicContact CD2-CB 3.88Å; F134-R170 HydrophobicContact CD2-CG 4.31Å; F134-R170 HydrophobicContact CE2-CG 3.86Å |
| 135 | L | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.4 | -31.3 | -176.2 | -66.9 | 178.2 | 0 | 0 | 0 | 112.7 | F31 I38 R39 H133 V137 Q139 P140 Y144 | F31-L135 HydrophobicContact CD1-CD2 4.45Å; F31-L135 HydrophobicContact CD2-CD2 3.95Å; F31-L135 HydrophobicContact CE1-CD2 4.21Å; F31-L135 HydrophobicContact CE2-CD2 3.7Å; F31-L135 HydrophobicContact CG-CD2 4.35Å; F31-L135 HydrophobicContact CZ-CD2 3.85Å; I38-L135 HydrophobicContact CD1-CD1 3.92Å; I38-L135 HydrophobicContact CD1-CD2 4.17Å; I38-L135 HydrophobicContact CD1-CG 3.84Å; I38-L135 HydrophobicContact CG1-CD1 3.79Å; I38-L135 HydrophobicContact CG1-CG 3.94Å; I38-L135 WeakPolarHBondContact O-CB 3.47Å; I38-L135 PolarHBondContact O-N 3.31Å; I38-L135 VanDerWaalsContact O-N 3.11Å; R39-L135 HydrophobicContact CG-CD1 3.51Å; H133-L135 PolarHBondContact O-N 3.49Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-Q139 WeakPolarHBondContact O-CA 3.43Å; L135-Q139 PolarHBondContact O-N 3.27Å; L135-P140 HydrophobicContact CD2-CG 3.79Å; L135-Y144 HydrophobicContact CB-CD2 4.33Å; L135-Y144 HydrophobicContact CB-CE2 4.28Å; L135-Y144 WeakPolarHBondContact O-CE2 3.41Å |
| 136 | D | 95.5 | Very high | 93.1 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 174.6 | -169.1 | 47 | 0 | 0 | 0 | 112 | Y42 H133 F134 Q139 | Y42-D136 VanDerWaalsContact CB-OD2 3.28Å; Y42-D136 WeakPolarHBondContact CB-OD2 3.43Å; Y42-D136 PolarHBondContact N-OD2 3.05Å; H133-D136 PolarHBondContact O-N 2.84Å; F134-D136 VanDerWaalsContact C-N 3.31Å; F134-D136 PolarHBondContact O-N 2.92Å; D136-Q139 WeakPolarHBondContact O-CG 3.44Å |
| 137 | V | 95.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.1 | -44.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | Y42 H133 F134 L135 T160 R165 A169 | Y42-V137 HydrophobicContact CD2-CG2 3.62Å; Y42-V137 HydrophobicContact CE2-CG2 4.34Å; Y42-V137 HydrophobicContact CG-CG2 4.31Å; H133-V137 PolarHBondContact O-N 2.9Å; F134-V137 PolarHBondContact O-N 3.44Å; L135-V137 VanDerWaalsContact C-N 3.35Å; V137-T160 VanDerWaalsContact O-CB 3.22Å; V137-T160 WeakPolarHBondContact O-CB 3.28Å; V137-T160 VanDerWaalsContact O-CG2 3.3Å; V137-T160 WeakPolarHBondContact O-CG2 3.31Å; V137-R165 HydrophobicContact CG1-CB 4.26Å; V137-R165 HydrophobicContact CG1-CG 3.76Å; V137-R165 HydrophobicContact CG2-CG 4.05Å; V137-A169 HydrophobicContact CB-CB 4.24Å; V137-A169 HydrophobicContact CG1-CB 4.12Å |
| 138 | C | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.4 | -40.7 | -175 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | F134 C158 S159 L166 | F134-C138 HydrophobicContact CD1-CB 4.49Å; F134-C138 HydrophobicContact CE1-CB 4.01Å; F134-C138 HydrophobicContact CE2-CB 4.02Å; F134-C138 HydrophobicContact CZ-CB 3.76Å; F134-C138 WeakPolarHBondContact O-CB 3.45Å; F134-C138 PolarHBondContact O-N 3.22Å; C138-C158 HydrophobicContact CB-CB 3.98Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 CarbonylContact O-C 3.43Å; C138-C158 WeakPolarHBondContact O-CA 3.37Å; C138-C158 WeakPolarHBondContact O-CB 3.3Å; C138-C158 VanDerWaalsContact SG-CA 3.59Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.44Å; C138-S159 PolarHBondContact O-N 3.16Å; C138-L166 HydrophobicContact CB-CD1 3.83Å |
| 139 | Q | 94.3 | Very high | 91.4 | Very high | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | trans | 46.5 | 66.4 | -172.2 | -65 | -176.7 | -21.1 | 0 | 0 | 111.6 | L135 D136 S159 | L135-Q139 WeakPolarHBondContact O-CA 3.43Å; L135-Q139 PolarHBondContact O-N 3.27Å; D136-Q139 WeakPolarHBondContact O-CG 3.44Å; Q139-S159 VanDerWaalsContact CB-OG 3.22Å; Q139-S159 WeakPolarHBondContact CB-OG 3.25Å; Q139-S159 PolarHBondContact O-N 3.3Å; Q139-S159 PolarHBondContact O-OG 3.37Å; Q139-S159 PolarHBondContact OE1-OG 2.99Å | ||
| 140 | P | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 146.3 | -173.6 | 26.6 | -32.3 | 0 | 0 | 0 | 111.5 | F31 L135 V142 Y144 F156 T157 | F31-P140 HydrophobicContact CE1-CB 4.32Å; F31-P140 HydrophobicContact CE1-CG 4.22Å; F31-P140 HydrophobicContact CE2-CG 4.41Å; F31-P140 HydrophobicContact CZ-CB 3.96Å; F31-P140 HydrophobicContact CZ-CG 3.61Å; L135-P140 HydrophobicContact CD2-CG 3.79Å; P140-V142 PolarHBondContact O-N 3.01Å; P140-Y144 HydrophobicContact CG-CD2 4.49Å; P140-Y144 WeakPolarHBondContact O-CB 3.43Å; P140-F156 HydrophobicContact CB-CB 4.22Å; P140-F156 HydrophobicContact CB-CD2 3.99Å; P140-F156 HydrophobicContact CB-CG 4.36Å; P140-T157 WeakPolarHBondContact CA-O 3.32Å |
| 141 | N | 91.5 | Very high | 90.8 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -63.1 | -18.2 | 176.5 | 64.9 | -38.6 | 0 | 0 | 0 | 114.1 | T157 | N141-T157 PolarHBondContact N-O 3.39Å; N141-T157 VanDerWaalsContact N-O 3.11Å; N141-T157 PolarHBondContact ND2-OG1 2.88Å; N141-T157 PolarHBondContact OD1-N 3.24Å; N141-T157 PolarHBondContact OD1-O 3.49Å; N141-T157 PolarHBondContact OD1-OG1 3.14Å |
| 142 | V | 89.6 | Confident | 90.6 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -130.5 | 144.5 | -178.1 | -69 | 0 | 0 | 0 | 0 | 110.9 | P140 Y144 I153 F156 | P140-V142 PolarHBondContact O-N 3.01Å; V142-Y144 PolarHBondContact O-N 3.45Å; V142-Y144 VanDerWaalsContact O-N 3.15Å; V142-I153 HydrophobicContact CG2-CD1 4.32Å; V142-I153 HydrophobicContact CG2-CG2 3.66Å; V142-F156 HydrophobicContact CG2-CB 3.75Å |
| 143 | G | 81.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 71.3 | 0.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R39 | R39-G143 PolarHBondContact NH2-O 3.36Å; R39-G143 VanDerWaalsContact NH2-O 3.12Å |
| 144 | Y | 83.2 | Confident | 90.2 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -71.7 | -57 | -177.8 | -175.7 | -121.3 | 0 | 0 | 0 | 112.6 | R39 L135 P140 V142 | R39-Y144 PolarHBondContact NH1-O 3.06Å; R39-Y144 PolarHBondContact NH2-O 3.31Å; L135-Y144 HydrophobicContact CB-CD2 4.33Å; L135-Y144 HydrophobicContact CB-CE2 4.28Å; L135-Y144 WeakPolarHBondContact O-CE2 3.41Å; P140-Y144 HydrophobicContact CG-CD2 4.49Å; P140-Y144 WeakPolarHBondContact O-CB 3.43Å; V142-Y144 PolarHBondContact O-N 3.45Å; V142-Y144 VanDerWaalsContact O-N 3.15Å |
| 145 | T | 82.8 | Confident | 89.9 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 75% | 0.748 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -95.2 | -47.4 | -177.3 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 146 | T | 83.6 | Confident | 89.8 | Confident | 110 Ų | 110 | 70.3 Ų | 70.3 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | trans | -108.6 | 120.1 | -179.2 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 147 | C | 84 | Confident | 89.7 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 31% | 0.311 | 41% | 0.41 | S | S | . | . | trans | -124.7 | 119.4 | 173 | 176.3 | 0 | 0 | 0 | 0 | 108.4 | C33 D34 G149 | C33-C147 HydrophobicContact CB-CB 3.67Å; C33-C147 WeakPolarHBondContact CB-SG 3.31Å; C33-C147 WeakPolarHBondContact SG-CB 3.39Å; C33-C147 CovalentContact SG-SG 2.04Å; C33-C147 PolarHBondContact SG-SG 2.88Å; D34-C147 PolarHBondContact N-SG 3.36Å; C147-G149 PolarHBondContact SG-O 2.93Å | ||
| 148 | S | 82.7 | Confident | 89.6 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 84% | 0.839 | 42% | 0.417 | S | S | * | . | trans | -100.7 | 88.1 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | G | 84.3 | Confident | 89.5 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 53% | 0.526 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 83.4 | -150 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C147 | C147-G149 PolarHBondContact SG-O 2.93Š|
| 150 | H | 89.7 | Confident | 89.4 | Confident | 126 Ų | 126 | 74 Ų | 74 | 58% | 0.583 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -107 | 76.7 | -174.4 | -172.3 | 65.7 | 0 | 0 | 0 | 110.8 | Y32 D34 | Y32-H150 AromaticContact CD1-CD2 3.81Å; Y32-H150 AromaticContact CD1-CE1 3.27Å; Y32-H150 WeakPolarHBondContact CD1-CE1 3.35Å; Y32-H150 AromaticContact CD1-ND1 3.71Å; Y32-H150 AromaticContact CD1-NE2 3.34Å; Y32-H150 VanDerWaalsContact CD1-NE2 3.34Å; Y32-H150 WeakPolarHBondContact CD1-NE2 3.45Å; Y32-H150 AromaticContact CE1-CD2 3.63Å; Y32-H150 AromaticContact CE1-CE1 3.62Å; Y32-H150 AromaticContact CE1-NE2 3.15Å; Y32-H150 WeakPolarHBondContact CE1-NE2 3.19Å; Y32-H150 AromaticContact CG-CE1 3.6Å; Y32-H150 AromaticContact CZ-NE2 3.7Å; D34-H150 VanDerWaalsContact CG-ND1 3.29Å; D34-H150 IonicContact OD1-CE1 3.86Å; D34-H150 IonicContact OD1-CG 3.87Å; D34-H150 IonicContact OD1-ND1 3.28Å; D34-H150 PolarHBondContact OD1-ND1 3.13Å; D34-H150 IonicContact OD2-CE1 2.9Å; D34-H150 IonicContact OD2-CG 3.66Å; D34-H150 IonicContact OD2-ND1 2.8Å; D34-H150 PolarHBondContact OD2-ND1 3.14Å |
| 151 | L | 91.4 | Very high | 89.3 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 55% | 0.55 | 47% | 0.472 | S | S | . | . | trans | -103.7 | 128.7 | -176.6 | -179.3 | 65.3 | 0 | 0 | 0 | 111.4 | Y32 C33 I153 | Y32-L151 WeakPolarHBondContact CA-O 3.28Å; C33-L151 PolarHBondContact N-O 2.9Å; L151-I153 HydrophobicContact CD2-CG1 4.4Å; L151-I153 HydrophobicContact CG-CG1 4.38Å | ||
| 152 | Y | 94.1 | Very high | 89.4 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.6 | 171 | -172 | -103.7 | 0 | 0 | 0 | 111 | G30 Y32 | G30-Y152 VanDerWaalsContact CA-OH 3.31Å; G30-Y152 WeakPolarHBondContact CA-OH 3.44Å; G30-Y152 PolarHBondContact N-OH 3.38Å; G30-Y152 VanDerWaalsContact N-OH 3.11Å; Y32-Y152 HydrophobicContact CD1-CD2 4.27Å; Y32-Y152 AromaticContact CD2-CD2 3.78Å; Y32-Y152 HydrophobicContact CD2-CD2 3.78Å; Y32-Y152 HydrophobicContact CD2-CE2 4.43Å; Y32-Y152 HydrophobicContact CE1-CD2 4.15Å; Y32-Y152 HydrophobicContact CE1-CG 4.37Å; Y32-Y152 AromaticContact CE2-CD2 3.62Å; Y32-Y152 HydrophobicContact CE2-CD2 3.62Å; Y32-Y152 HydrophobicContact CE2-CE2 4.26Å; Y32-Y152 HydrophobicContact CG-CD2 4.1Å; Y32-Y152 AromaticContact CZ-CD2 3.83Å |
| 153 | I | 92.9 | Very high | 89.6 | Confident | 18 Ų | 18 | 78 Ų | 78 | 9% | 0.092 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 110.4 | 179.9 | -58.1 | 170.1 | 0 | 0 | 0 | 108.8 | G30 F31 C33 V142 L151 D155 F156 | G30-I153 CarbonylContact C-O 3.29Å; G30-I153 WeakPolarHBondContact CA-O 3.29Å; F31-I153 HydrophobicContact CE2-CD1 4.27Å; F31-I153 HydrophobicContact CZ-CB 4.5Å; F31-I153 HydrophobicContact CZ-CD1 4.43Å; F31-I153 PolarHBondContact N-O 3.44Å; F31-I153 PolarHBondContact O-N 3.16Å; C33-I153 HydrophobicContact CB-CD1 3.81Å; V142-I153 HydrophobicContact CG2-CD1 4.32Å; V142-I153 HydrophobicContact CG2-CG2 3.66Å; L151-I153 HydrophobicContact CD2-CG1 4.4Å; L151-I153 HydrophobicContact CG-CG1 4.38Å; I153-D155 WeakPolarHBondContact CG2-O 3.29Å; I153-F156 HydrophobicContact CG2-CB 4.13Å; I153-F156 HydrophobicContact CG2-CD1 4.09Å |
| 154 | S | 93 | Very high | 90.1 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | trans | -95.6 | -30.4 | 174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 155 | D | 91.7 | Very high | 90.6 | Very high | 140 Ų | 140 | 84.3 Ų | 84.3 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | trans | -107.5 | 112.4 | -177.9 | -165.9 | 6.8 | 0 | 0 | 0 | 110.3 | I153 | I153-D155 WeakPolarHBondContact CG2-O 3.29Š| ||
| 156 | F | 93.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 79.2 Ų | 79.2 | 11% | 0.114 | 46% | 0.459 | C | S | . | . | trans | -157.6 | 153.4 | -178.7 | 60.5 | -87.3 | 0 | 0 | 0 | 110.4 | F31 F134 P140 V142 I153 | F31-F156 HydrophobicContact CD1-CD1 4.22Å; F31-F156 AromaticContact CD1-CE1 3.8Å; F31-F156 HydrophobicContact CD1-CE1 3.8Å; F31-F156 AromaticContact CD1-CZ 4Å; F31-F156 HydrophobicContact CD1-CZ 4Å; F31-F156 AromaticContact CE1-CD1 3.66Å; F31-F156 HydrophobicContact CE1-CD1 3.66Å; F31-F156 HydrophobicContact CE1-CD2 4.06Å; F31-F156 AromaticContact CE1-CE1 3.65Å; F31-F156 HydrophobicContact CE1-CE1 3.65Å; F31-F156 HydrophobicContact CE1-CE2 4.05Å; F31-F156 AromaticContact CE1-CG 3.87Å; F31-F156 HydrophobicContact CE1-CG 3.87Å; F31-F156 AromaticContact CE1-CZ 3.84Å; F31-F156 HydrophobicContact CE1-CZ 3.84Å; F134-F156 HydrophobicContact CE1-CE2 4.24Å; F134-F156 HydrophobicContact CE1-CZ 4.25Å; F134-F156 AromaticContact CZ-CE2 3.84Å; F134-F156 HydrophobicContact CZ-CE2 3.84Å; F134-F156 AromaticContact CZ-CZ 3.93Å; F134-F156 HydrophobicContact CZ-CZ 3.93Å; P140-F156 HydrophobicContact CB-CB 4.22Å; P140-F156 HydrophobicContact CB-CD2 3.99Å; P140-F156 HydrophobicContact CB-CG 4.36Å; V142-F156 HydrophobicContact CG2-CB 3.75Å; I153-F156 HydrophobicContact CG2-CB 4.13Å; I153-F156 HydrophobicContact CG2-CD1 4.09Å | ||
| 157 | T | 93.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 75 Ų | 75 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | trans | -112.4 | 128.5 | 174.1 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | P140 N141 | P140-T157 WeakPolarHBondContact CA-O 3.32Å; N141-T157 PolarHBondContact N-O 3.39Å; N141-T157 VanDerWaalsContact N-O 3.11Å; N141-T157 PolarHBondContact ND2-OG1 2.88Å; N141-T157 PolarHBondContact OD1-N 3.24Å; N141-T157 PolarHBondContact OD1-O 3.49Å; N141-T157 PolarHBondContact OD1-OG1 3.14Å | ||
| 158 | C | 94.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 138.4 | 172.6 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | C138 T160 L166 | C138-C158 HydrophobicContact CB-CB 3.98Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 CarbonylContact O-C 3.43Å; C138-C158 WeakPolarHBondContact O-CA 3.37Å; C138-C158 WeakPolarHBondContact O-CB 3.3Å; C138-C158 VanDerWaalsContact SG-CA 3.59Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.44Å; C158-T160 HydrophobicContact CB-CG2 4.28Å; C158-L166 HydrophobicContact CB-CD1 4.31Å; C158-L166 HydrophobicContact CB-CD2 3.84Å; C158-L166 VanDerWaalsContact SG-CD1 3.51Å |
| 159 | S | 93.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 69.8 Ų | 69.8 | 56% | 0.559 | 39% | 0.391 | S | S | * | . | trans | -80.7 | -18.1 | 179 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | C138 Q139 | C138-S159 PolarHBondContact O-N 3.16Å; Q139-S159 VanDerWaalsContact CB-OG 3.22Å; Q139-S159 WeakPolarHBondContact CB-OG 3.25Å; Q139-S159 PolarHBondContact O-N 3.3Å; Q139-S159 PolarHBondContact O-OG 3.37Å; Q139-S159 PolarHBondContact OE1-OG 2.99Å | ||
| 160 | T | 91.9 | Very high | 93.5 | Very high | 32 Ų | 32 | 69.2 Ų | 69.2 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | trans | -65.9 | 139.6 | -174.6 | -169.7 | 0 | 0 | 0 | 0 | 113 | V137 C158 D162 L166 | V137-T160 VanDerWaalsContact O-CB 3.22Å; V137-T160 WeakPolarHBondContact O-CB 3.28Å; V137-T160 VanDerWaalsContact O-CG2 3.3Å; V137-T160 WeakPolarHBondContact O-CG2 3.31Å; C158-T160 HydrophobicContact CB-CG2 4.28Å; T160-D162 PolarHBondContact OG1-N 3.26Å; T160-L166 HydrophobicContact CG2-CB 4.03Å; T160-L166 HydrophobicContact CG2-CD2 4.19Å; T160-L166 HydrophobicContact CG2-CG 4.49Å | ||
| 161 | S | 91.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 83% | 0.825 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -85.9 | -14.4 | 170.5 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | I163 | S161-I163 PolarHBondContact O-N 3.34Å; S161-I163 VanDerWaalsContact O-N 3.08Å |
| 162 | D | 94.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | trans | -84.5 | 83.4 | -179.7 | -169.4 | -19.2 | 0 | 0 | 0 | 110.6 | T160 D164 R165 L166 | T160-D162 PolarHBondContact OG1-N 3.26Å; D162-D164 VanDerWaalsContact C-N 3.3Å; D162-D164 PolarHBondContact O-N 3.28Å; D162-D164 PolarHBondContact OD1-N 2.94Å; D162-R165 HydrophobicContact CB-CB 4.07Å; D162-R165 PolarHBondContact O-N 2.86Å; D162-R165 WeakPolarHBondContact OD1-CB 3.43Å; D162-R165 PolarHBondContact OD1-N 3.28Å; D162-R165 WeakPolarHBondContact OD2-CB 3.48Å; D162-R165 IonicContact OD2-CZ 3.45Å; D162-R165 IonicContact OD2-NE 2.66Å; D162-R165 PolarHBondContact OD2-NE 2.97Å; D162-R165 IonicContact OD2-NH1 3.47Å; D162-R165 PolarHBondContact OD2-NH1 3.32Å; D162-R165 IonicContact OD2-NH2 3.87Å; D162-R165 PolarHBondContact OD2-NH2 2.86Å; D162-L166 PolarHBondContact O-N 3.49Å | ||
| 163 | I | 93 | Very high | 94.3 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | -177.3 | -58.5 | -55.9 | 0 | 0 | 0 | 112 | W25 S161 L166 K167 | W25-I163 HydrophobicContact CH2-CG2 3.64Å; W25-I163 HydrophobicContact CZ2-CG2 3.46Å; W25-I163 VanDerWaalsContact CZ2-CG2 3.46Å; S161-I163 PolarHBondContact O-N 3.34Å; S161-I163 VanDerWaalsContact O-N 3.08Å; I163-L166 PolarHBondContact O-N 3.14Å; I163-K167 WeakPolarHBondContact O-CB 3.33Å; I163-K167 PolarHBondContact O-N 3.46Å |
| 164 | D | 92 | Very high | 94.5 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.8 | -43.1 | 179.6 | -74.2 | -31.7 | 0 | 0 | 0 | 111 | D162 L166 K167 D168 | D162-D164 VanDerWaalsContact C-N 3.3Å; D162-D164 PolarHBondContact O-N 3.28Å; D162-D164 PolarHBondContact OD1-N 2.94Å; D164-L166 VanDerWaalsContact C-N 3.34Å; D164-K167 PolarHBondContact O-N 3.01Å; D164-D168 WeakPolarHBondContact O-CB 3.4Å; D164-D168 PolarHBondContact O-N 2.98Å |
| 165 | R | 94.2 | Very high | 94.8 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.3 | -168.1 | -178.1 | -68.8 | 143.8 | 2.2 | 111.6 | Y42 V137 D162 D168 A169 | Y42-R165 HydrophobicContact CE2-CG 4.08Å; V137-R165 HydrophobicContact CG1-CB 4.26Å; V137-R165 HydrophobicContact CG1-CG 3.76Å; V137-R165 HydrophobicContact CG2-CG 4.05Å; D162-R165 HydrophobicContact CB-CB 4.07Å; D162-R165 PolarHBondContact O-N 2.86Å; D162-R165 WeakPolarHBondContact OD1-CB 3.43Å; D162-R165 PolarHBondContact OD1-N 3.28Å; D162-R165 WeakPolarHBondContact OD2-CB 3.48Å; D162-R165 IonicContact OD2-CZ 3.45Å; D162-R165 IonicContact OD2-NE 2.66Å; D162-R165 PolarHBondContact OD2-NE 2.97Å; D162-R165 IonicContact OD2-NH1 3.47Å; D162-R165 PolarHBondContact OD2-NH1 3.32Å; D162-R165 IonicContact OD2-NH2 3.87Å; D162-R165 PolarHBondContact OD2-NH2 2.86Å; R165-D168 PolarHBondContact O-N 3.46Å; R165-A169 WeakPolarHBondContact O-CB 3.42Å; R165-A169 PolarHBondContact O-N 2.8Å |
| 166 | L | 95.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.7 | 178 | 59.6 | 0 | 0 | 0 | 111.9 | F134 C138 C158 T160 D162 I163 D164 A169 R170 | F134-L166 HydrophobicContact CE2-CD1 3.92Å; C138-L166 HydrophobicContact CB-CD1 3.83Å; C158-L166 HydrophobicContact CB-CD1 4.31Å; C158-L166 HydrophobicContact CB-CD2 3.84Å; C158-L166 VanDerWaalsContact SG-CD1 3.51Å; T160-L166 HydrophobicContact CG2-CB 4.03Å; T160-L166 HydrophobicContact CG2-CD2 4.19Å; T160-L166 HydrophobicContact CG2-CG 4.49Å; D162-L166 PolarHBondContact O-N 3.49Å; I163-L166 PolarHBondContact O-N 3.14Å; D164-L166 VanDerWaalsContact C-N 3.34Å; L166-A169 PolarHBondContact O-N 3.28Å; L166-R170 PolarHBondContact O-N 2.99Å |
| 167 | K | 94.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 174.4 | -175.8 | -179 | 179.9 | 176.1 | 0 | 110.6 | K21 V24 W25 P26 I163 D164 A169 R170 L171 | K21-K167 PolarHBondContact O-NZ 2.75Å; V24-K167 WeakPolarHBondContact O-CE 3.3Å; V24-K167 PolarHBondContact O-NZ 3.08Å; W25-K167 HydrophobicContact CE3-CG 4.3Å; W25-K167 HydrophobicContact CH2-CB 3.95Å; W25-K167 HydrophobicContact CH2-CG 4.48Å; W25-K167 HydrophobicContact CZ3-CB 3.94Å; W25-K167 HydrophobicContact CZ3-CG 4.22Å; P26-K167 HydrophobicContact CG-CG 4.39Å; I163-K167 WeakPolarHBondContact O-CB 3.33Å; I163-K167 PolarHBondContact O-N 3.46Å; D164-K167 PolarHBondContact O-N 3.01Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.09Å; K167-R170 PolarHBondContact O-N 2.93Å; K167-R170 VanDerWaalsContact O-N 3.11Å; K167-L171 WeakPolarHBondContact O-CG 3.19Å |
| 168 | D | 94.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 41 Ų | 41 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 178.7 | -171.6 | 54.5 | 0 | 0 | 0 | 112.7 | R131 D164 R165 R170 L171 | R131-D168 WeakPolarHBondContact CD-O 3.33Å; R131-D168 IonicContact CZ-OD1 3.33Å; R131-D168 IonicContact CZ-OD2 3Å; R131-D168 VanDerWaalsContact CZ-OD2 3.25Å; R131-D168 PolarHBondContact NE-O 3.38Å; R131-D168 VanDerWaalsContact NE-O 3.12Å; R131-D168 IonicContact NH1-OD1 2.76Å; R131-D168 IonicContact NH1-OD2 3.26Å; R131-D168 PolarHBondContact NH1-OD2 3.22Å; R131-D168 VanDerWaalsContact NH2-CG 3.34Å; R131-D168 PolarHBondContact NH2-O 3.39Å; R131-D168 IonicContact NH2-OD1 3.87Å; R131-D168 PolarHBondContact NH2-OD1 3.25Å; R131-D168 IonicContact NH2-OD2 3.24Å; R131-D168 PolarHBondContact NH2-OD2 3.05Å; D164-D168 WeakPolarHBondContact O-CB 3.4Å; D164-D168 PolarHBondContact O-N 2.98Å; R165-D168 PolarHBondContact O-N 3.46Å; D168-R170 PolarHBondContact O-N 3.02Å; D168-R170 VanDerWaalsContact O-N 3.16Å; D168-L171 PolarHBondContact O-N 3.18Å |
| 169 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -17.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R131 F134 V137 R165 L166 K167 | R131-A169 WeakPolarHBondContact CB-O 3.1Å; R131-A169 WeakPolarHBondContact CG-O 3.27Å; R131-A169 PolarHBondContact N-O 3Å; F134-A169 HydrophobicContact CD2-CB 3.88Å; V137-A169 HydrophobicContact CB-CB 4.24Å; V137-A169 HydrophobicContact CG1-CB 4.12Å; R165-A169 WeakPolarHBondContact O-CB 3.42Å; R165-A169 PolarHBondContact O-N 2.8Å; L166-A169 PolarHBondContact O-N 3.28Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.09Å |
| 170 | R | 96.8 | Very high | 95.9 | Very high | 40 Ų | 40 | 36.1 Ų | 36.1 | 15% | 0.151 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.8 | 174.1 | -64.9 | -179.4 | 169.2 | -176.2 | -1.8 | 113.9 | P26 G128 R129 L130 F134 L166 K167 D168 | P26-R170 HydrophobicContact CB-CB 4.34Å; P26-R170 HydrophobicContact CG-CB 3.72Å; G128-R170 CarbonylContact C-O 3.56Å; G128-R170 VanDerWaalsContact C-O 3.25Å; G128-R170 WeakPolarHBondContact CA-O 3.07Å; R129-R170 CarbonylContact O-C 2.92Å; R129-R170 VanDerWaalsContact O-O 3.07Å; L130-R170 HydrophobicContact CD2-CB 4.46Å; L130-R170 HydrophobicContact CD2-CG 3.89Å; F134-R170 HydrophobicContact CD2-CG 4.31Å; F134-R170 HydrophobicContact CE2-CG 3.86Å; L166-R170 PolarHBondContact O-N 2.99Å; K167-R170 PolarHBondContact O-N 2.93Å; K167-R170 VanDerWaalsContact O-N 3.11Å; D168-R170 PolarHBondContact O-N 3.02Å; D168-R170 VanDerWaalsContact O-N 3.16Å |
| 171 | L | 96.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | trans | -109.6 | 56.3 | -174.9 | -64.1 | 171.7 | 0 | 0 | 0 | 111.4 | P26 K124 Y125 R131 K167 D168 | P26-L171 HydrophobicContact CB-CD2 3.66Å; P26-L171 HydrophobicContact CB-CG 4.46Å; P26-L171 HydrophobicContact CG-CD2 3.97Å; P26-L171 HydrophobicContact CG-CG 4.31Å; K124-L171 HydrophobicContact CB-CB 4.43Å; K124-L171 HydrophobicContact CB-CD2 3.81Å; K124-L171 HydrophobicContact CD-CB 4.34Å; K124-L171 PolarHBondContact NZ-O 3.38Å; Y125-L171 HydrophobicContact CD1-CD2 4.09Å; Y125-L171 HydrophobicContact CD2-CD2 4.41Å; Y125-L171 HydrophobicContact CE1-CD2 3.94Å; Y125-L171 HydrophobicContact CE2-CD2 4.25Å; Y125-L171 HydrophobicContact CG-CD2 4.31Å; R131-L171 PolarHBondContact NE-O 3.47Å; R131-L171 PolarHBondContact NH2-O 2.95Å; K167-L171 WeakPolarHBondContact O-CG 3.19Å; D168-L171 PolarHBondContact O-N 3.18Å | ||
| 172 | S | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -78.6 | -64.4 | -179.6 | -153.4 | 0 | 0 | 0 | 0 | 112.5 | K124 R129 P174 H230 D234 | K124-S172 PolarHBondContact NZ-O 2.99Å; R129-S172 WeakPolarHBondContact O-CB 3.47Å; R129-S172 PolarHBondContact O-N 2.71Å; S172-P174 CarbonylContact O-C 3.52Å; S172-P174 VanDerWaalsContact O-C 3.29Å; S172-P174 VanDerWaalsContact O-O 3.11Å; S172-H230 PolarHBondContact O-CE1 3.15Å; S172-H230 PolarHBondContact O-ND1 3.31Å; S172-H230 PolarHBondContact OG-ND1 3.45Å; S172-D234 WeakPolarHBondContact CB-OD2 3.48Å; S172-D234 PolarHBondContact OG-OD2 3.37Å | ||
| 173 | F | 97.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 27 Ų | 27 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -93.7 | 134.9 | -168.8 | -177.8 | -81.2 | 0 | 0 | 0 | 113.2 | G123 K124 I127 R129 D234 T237 | G123-F173 CarbonylContact C-O 3.48Å; K124-F173 WeakPolarHBondContact CA-O 3.42Å; K124-F173 PolarHBondContact N-O 2.88Å; I127-F173 HydrophobicContact CD1-CD1 3.3Å; I127-F173 HydrophobicContact CD1-CE1 3.44Å; I127-F173 VanDerWaalsContact CD1-CE1 3.44Å; I127-F173 HydrophobicContact CD1-CG 4.44Å; I127-F173 HydrophobicContact CG1-CD1 4.5Å; I127-F173 HydrophobicContact CG2-CB 4.37Å; I127-F173 HydrophobicContact CG2-CD1 4.36Å; R129-F173 HydrophobicContact CB-CB 3.85Å; R129-F173 HydrophobicContact CG-CB 4.48Å; F173-D234 HydrophobicContact CB-CB 4.43Å; F173-D234 WeakPolarHBondContact CB-OD1 3.31Å; F173-D234 HydrophobicContact CD2-CB 4.18Å; F173-D234 VanDerWaalsContact CD2-OD1 3.22Å; F173-D234 WeakPolarHBondContact CD2-OD1 3.37Å; F173-T237 HydrophobicContact CE1-CG2 4.28Å; F173-T237 HydrophobicContact CE2-CG2 4Å; F173-T237 VanDerWaalsContact CE2-OG1 3.32Å; F173-T237 WeakPolarHBondContact CE2-OG1 3.11Å; F173-T237 HydrophobicContact CZ-CG2 3.58Å |
| 174 | P | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | S | Bend | cis | -81.7 | 168.3 | -13.6 | 32.6 | -32.9 | 0 | 0 | 0 | 111.7 | T120 K124 S172 G176 T237 I241 | T120-P174 HydrophobicContact CG2-CG 3.87Å; K124-P174 WeakPolarHBondContact CE-O 3.24Å; K124-P174 PolarHBondContact NZ-O 3.36Å; S172-P174 CarbonylContact O-C 3.52Å; S172-P174 VanDerWaalsContact O-C 3.29Å; S172-P174 VanDerWaalsContact O-O 3.11Å; P174-G176 PolarHBondContact O-N 3.12Å; P174-T237 HydrophobicContact CB-CG2 4.02Å; P174-I241 HydrophobicContact CB-CD1 3.91Å; P174-I241 HydrophobicContact CG-CD1 3.65Å |
| 175 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -71.8 | 114 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | S178 S179 H230 D234 | S175-S178 WeakPolarHBondContact CB-OG 3.17Å; S175-S178 WeakPolarHBondContact OG-CB 3.28Å; S175-S178 PolarHBondContact OG-N 3.03Å; S175-S178 PolarHBondContact OG-OG 3.3Å; S175-S179 VanDerWaalsContact O-CB 3.31Å; S175-S179 WeakPolarHBondContact O-CB 3.15Å; S175-S179 PolarHBondContact O-N 2.99Å; S175-H230 VanDerWaalsContact CB-CD2 3.46Å; S175-H230 WeakPolarHBondContact CB-CD2 3.44Å; S175-H230 PolarHBondContact OG-CD2 2.51Å; S175-D234 WeakPolarHBondContact CB-O 3.2Å; S175-D234 PolarHBondContact N-O 3.01Å | ||
| 176 | G | 97.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 13.8 Ų | 13.8 | 8% | 0.082 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -69.9 | -33.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T120 P174 S179 L180 | T120-G176 VanDerWaalsContact CG2-CA 3.5Å; P174-G176 PolarHBondContact O-N 3.12Å; G176-S179 PolarHBondContact O-N 3.48Å; G176-L180 WeakPolarHBondContact O-CB 3.2Å; G176-L180 PolarHBondContact O-N 2.97Å |
| 177 | H | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 13.2 Ų | 13.2 | 17% | 0.171 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.5 | -77 | 61.8 | 0 | 0 | 0 | 111.1 | V47 G49 L52 S179 S181 V220 R224 | V47-H177 PolarHBondContact O-NE2 3.41Å; G49-H177 PolarHBondContact N-NE2 3.13Å; L52-H177 HydrophobicContact CD2-CB 4.11Å; H177-S179 VanDerWaalsContact C-N 3.33Å; H177-S181 VanDerWaalsContact O-CB 3.3Å; H177-S181 WeakPolarHBondContact O-CB 3.14Å; H177-S181 PolarHBondContact O-N 3.41Å; H177-S181 PolarHBondContact O-OG 2.96Å; H177-S181 VanDerWaalsContact O-OG 3.08Å; H177-V220 HydrophobicContact CB-CG1 4.16Å; H177-R224 HydrophobicContact CB-CG 3.86Å |
| 178 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 178.6 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | S175 S181 A182 V235 | S175-S178 WeakPolarHBondContact CB-OG 3.17Å; S175-S178 WeakPolarHBondContact OG-CB 3.28Å; S175-S178 PolarHBondContact OG-N 3.03Å; S175-S178 PolarHBondContact OG-OG 3.3Å; S178-S181 PolarHBondContact O-OG 3.29Å; S178-A182 WeakPolarHBondContact O-CB 3.29Å; S178-A182 PolarHBondContact O-N 3.38Å; S178-V235 WeakPolarHBondContact OG-CG1 3.19Å |
| 179 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.8 | -50.1 | 177.7 | 177 | 0 | 0 | 0 | 0 | 112.7 | N116 T120 S175 G176 H177 Y183 G238 G242 | N116-S179 PolarHBondContact ND2-OG 3.16Å; N116-S179 PolarHBondContact OD1-OG 3.32Å; T120-S179 PolarHBondContact OG1-OG 2.96Å; T120-S179 VanDerWaalsContact OG1-OG 3.09Å; S175-S179 VanDerWaalsContact O-CB 3.31Å; S175-S179 WeakPolarHBondContact O-CB 3.15Å; S175-S179 PolarHBondContact O-N 2.99Å; G176-S179 PolarHBondContact O-N 3.48Å; H177-S179 VanDerWaalsContact C-N 3.33Å; S179-Y183 VanDerWaalsContact O-CB 3.31Å; S179-Y183 WeakPolarHBondContact O-CB 3.34Å; S179-Y183 PolarHBondContact O-N 2.91Å; S179-G238 WeakPolarHBondContact CA-O 3.49Å; S179-G238 WeakPolarHBondContact CB-O 3.4Å; S179-G242 WeakPolarHBondContact O-CA 3.38Å |
| 180 | L | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 12.4 Ų | 12.4 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.8 | -178.7 | 59.8 | 0 | 0 | 0 | 112.1 | L52 A56 F57 A113 G176 Y183 A184 | L52-L180 HydrophobicContact CD2-CB 4.3Å; L52-L180 HydrophobicContact CD2-CD2 3.86Å; L52-L180 HydrophobicContact CD2-CG 4.48Å; L52-L180 HydrophobicContact CG-CD2 4.05Å; A56-L180 HydrophobicContact CB-CD2 4.18Å; A56-L180 HydrophobicContact CB-CG 3.96Å; F57-L180 HydrophobicContact CE2-CD2 4.29Å; A113-L180 HydrophobicContact CB-CD1 4.37Å; G176-L180 WeakPolarHBondContact O-CB 3.2Å; G176-L180 PolarHBondContact O-N 2.97Å; L180-Y183 HydrophobicContact CD1-CD1 4.43Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.37Å; L180-A184 PolarHBondContact O-N 2.94Å |
| 181 | S | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 177.9 | 71 | 0 | 0 | 0 | 0 | 111.9 | H177 S178 A184 M185 A217 | H177-S181 VanDerWaalsContact O-CB 3.3Å; H177-S181 WeakPolarHBondContact O-CB 3.14Å; H177-S181 PolarHBondContact O-N 3.41Å; H177-S181 PolarHBondContact O-OG 2.96Å; H177-S181 VanDerWaalsContact O-OG 3.08Å; S178-S181 PolarHBondContact O-OG 3.29Å; S181-A184 PolarHBondContact O-N 3.21Å; S181-M185 WeakPolarHBondContact O-CB 3.2Å; S181-M185 VanDerWaalsContact O-CG 3.31Å; S181-M185 WeakPolarHBondContact O-CG 3.45Å; S181-M185 PolarHBondContact O-N 3.41Å; S181-A217 PolarHBondContact OG-O 3.21Å |
| 182 | A | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 4% | 0.041 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S178 A184 L186 L239 | S178-A182 WeakPolarHBondContact O-CB 3.29Å; S178-A182 PolarHBondContact O-N 3.38Å; A182-A184 PolarHBondContact O-N 3.34Å; A182-L186 WeakPolarHBondContact O-CB 3.28Å; A182-L186 PolarHBondContact O-N 2.96Å; A182-L239 HydrophobicContact CB-CD2 3.83Å |
| 183 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.1 | -54.6 | 176.9 | 169.5 | -101 | 0 | 0 | 0 | 111.3 | F109 G112 A113 N116 S179 L180 F187 G242 I245 A246 L249 | F109-Y183 WeakPolarHBondContact CA-OH 3.45Å; F109-Y183 AromaticContact CD2-CE1 3.85Å; F109-Y183 HydrophobicContact CD2-CE1 3.85Å; F109-Y183 HydrophobicContact CE2-CD1 4.32Å; F109-Y183 AromaticContact CE2-CE1 3.61Å; F109-Y183 HydrophobicContact CE2-CE1 3.61Å; F109-Y183 HydrophobicContact CZ-CE1 4.42Å; F109-Y183 PolarHBondContact O-OH 3.41Å; G112-Y183 VanDerWaalsContact C-CZ 3.43Å; G112-Y183 VanDerWaalsContact CA-OH 3.31Å; G112-Y183 WeakPolarHBondContact CA-OH 3.05Å; A113-Y183 HydrophobicContact CB-CD1 4.25Å; A113-Y183 HydrophobicContact CB-CE1 3.77Å; N116-Y183 HydrophobicContact CB-CG 4.31Å; S179-Y183 VanDerWaalsContact O-CB 3.31Å; S179-Y183 WeakPolarHBondContact O-CB 3.34Å; S179-Y183 PolarHBondContact O-N 2.91Å; L180-Y183 HydrophobicContact CD1-CD1 4.43Å; Y183-F187 WeakPolarHBondContact O-CB 3.46Å; Y183-F187 PolarHBondContact O-N 3.31Å; Y183-G242 WeakPolarHBondContact CA-O 3.13Å; Y183-I245 HydrophobicContact CD2-CB 4.34Å; Y183-I245 HydrophobicContact CD2-CG2 3.91Å; Y183-I245 HydrophobicContact CE2-CG2 3.97Å; Y183-A246 HydrophobicContact CD2-CB 3.87Å; Y183-A246 HydrophobicContact CE2-CB 4.27Å; Y183-L249 HydrophobicContact CE2-CD1 4.04Å |
| 184 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 P60 F109 L180 S181 A182 T188 | A56-A184 HydrophobicContact CB-CB 3.93Å; A56-A184 WeakPolarHBondContact O-CB 3.46Å; P60-A184 HydrophobicContact CG-CB 4.15Å; F109-A184 HydrophobicContact CE2-CB 4.18Å; F109-A184 HydrophobicContact CZ-CB 4.29Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.37Å; L180-A184 PolarHBondContact O-N 2.94Å; S181-A184 PolarHBondContact O-N 3.21Å; A182-A184 PolarHBondContact O-N 3.34Å; A184-T188 WeakPolarHBondContact O-CB 3.42Å; A184-T188 PolarHBondContact O-N 3.44Å; A184-T188 VanDerWaalsContact O-N 3.14Å; A184-T188 PolarHBondContact O-OG1 3.37Å |
| 185 | M | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -73.6 | -42.7 | -178.5 | -61.3 | -58.3 | 99.6 | 0 | 0 | 111.1 | I59 P60 S181 T188 V189 L213 I216 A217 | I59-M185 HydrophobicContact CB-CE 4.13Å; I59-M185 HydrophobicContact CD1-CE 4.36Å; I59-M185 HydrophobicContact CD1-SD 4.37Å; I59-M185 HydrophobicContact CG2-CE 4.05Å; I59-M185 HydrophobicContact CG2-SD 4.28Å; P60-M185 HydrophobicContact CG-CE 4.29Å; S181-M185 WeakPolarHBondContact O-CB 3.2Å; S181-M185 VanDerWaalsContact O-CG 3.31Å; S181-M185 WeakPolarHBondContact O-CG 3.45Å; S181-M185 PolarHBondContact O-N 3.41Å; M185-T188 WeakPolarHBondContact O-CB 3.29Å; M185-T188 PolarHBondContact O-N 3.5Å; M185-T188 VanDerWaalsContact O-N 3.16Å; M185-V189 VanDerWaalsContact O-CG2 3.28Å; M185-V189 WeakPolarHBondContact O-CG2 3.4Å; M185-V189 PolarHBondContact O-N 3.46Å; M185-L213 HydrophobicContact CB-CB 4.29Å; M185-L213 VanDerWaalsContact CB-O 3.28Å; M185-L213 WeakPolarHBondContact CB-O 3.39Å; M185-L213 VanDerWaalsContact CG-O 3.25Å; M185-L213 WeakPolarHBondContact CG-O 3.48Å; M185-L213 HydrophobicContact SD-CB 4.34Å; M185-L213 HydrophobicContact SD-CD2 3.73Å; M185-I216 HydrophobicContact CG-CB 4.48Å; M185-I216 HydrophobicContact CG-CG2 4.33Å; M185-I216 HydrophobicContact SD-CB 4.26Å; M185-I216 HydrophobicContact SD-CG2 4.01Å; M185-A217 HydrophobicContact CB-CB 3.87Å; M185-A217 HydrophobicContact CG-CB 3.84Å |
| 186 | L | 97.7 | Very high | 95.1 | Very high | 31 Ų | 31 | 15.8 Ų | 15.8 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 178.3 | -172.9 | 62.5 | 0 | 0 | 0 | 111.5 | A182 T188 V189 I190 L214 A246 I247 | A182-L186 WeakPolarHBondContact O-CB 3.28Å; A182-L186 PolarHBondContact O-N 2.96Å; L186-T188 PolarHBondContact O-N 3.45Å; L186-V189 HydrophobicContact CD1-CB 4.45Å; L186-V189 HydrophobicContact CD1-CG1 4.46Å; L186-V189 WeakPolarHBondContact O-CB 3.37Å; L186-V189 PolarHBondContact O-N 2.75Å; L186-I190 HydrophobicContact CD1-CD1 4.25Å; L186-I190 HydrophobicContact CD1-CG1 4.2Å; L186-I190 HydrophobicContact CD2-CD1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.88Å; L186-I190 HydrophobicContact CG-CG1 4.28Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.48Å; L186-I190 PolarHBondContact O-N 3.38Å; L186-L214 HydrophobicContact CD1-CD2 4.18Å; L186-A246 HydrophobicContact CB-CB 4.18Å; L186-A246 HydrophobicContact CD2-CB 4.22Å; L186-A246 HydrophobicContact CG-CB 4.29Å; L186-I247 HydrophobicContact CD2-CD1 4.35Å; L186-I247 HydrophobicContact CD2-CG1 4.16Å |
| 187 | F | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.013 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -52.7 | -47.5 | 170.9 | 176.1 | -83.5 | 0 | 0 | 0 | 110.6 | I64 F109 Y183 I190 Y191 A246 V250 | I64-F187 HydrophobicContact CD1-CE1 4.2Å; F109-F187 HydrophobicContact CB-CD1 4.48Å; F109-F187 HydrophobicContact CB-CE1 3.89Å; F109-F187 HydrophobicContact CB-CE2 4.37Å; F109-F187 HydrophobicContact CB-CZ 3.82Å; F109-F187 HydrophobicContact CD2-CB 4.5Å; F109-F187 AromaticContact CD2-CD1 3.56Å; F109-F187 HydrophobicContact CD2-CD1 3.56Å; F109-F187 HydrophobicContact CD2-CD2 4.38Å; F109-F187 AromaticContact CD2-CE1 3.83Å; F109-F187 HydrophobicContact CD2-CE1 3.83Å; F109-F187 AromaticContact CD2-CG 3.89Å; F109-F187 HydrophobicContact CD2-CG 3.89Å; F109-F187 HydrophobicContact CD2-CZ 4.34Å; F109-F187 HydrophobicContact CE2-CD1 4.29Å; F109-F187 HydrophobicContact CG-CD1 4.38Å; F109-F187 HydrophobicContact CG-CE1 4.21Å; Y183-F187 WeakPolarHBondContact O-CB 3.46Å; Y183-F187 PolarHBondContact O-N 3.31Å; F187-I190 PolarHBondContact O-N 3.38Å; F187-Y191 WeakPolarHBondContact O-CB 3.49Å; F187-Y191 PolarHBondContact O-N 3.04Å; F187-A246 HydrophobicContact CB-CB 4.38Å; F187-V250 HydrophobicContact CD2-CG2 3.5Å; F187-V250 VanDerWaalsContact CD2-CG2 3.5Å; F187-V250 HydrophobicContact CE2-CG2 3.84Å; F187-V250 HydrophobicContact CG-CG2 4.31Å |
| 188 | T | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | -179.6 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | P60 T63 A184 M185 L186 Y191 V192 L213 | P60-T188 WeakPolarHBondContact CA-OG1 3.44Å; P60-T188 VanDerWaalsContact CB-OG1 3.29Å; P60-T188 WeakPolarHBondContact CB-OG1 3.48Å; P60-T188 VanDerWaalsContact CG-OG1 3.26Å; P60-T188 WeakPolarHBondContact CG-OG1 3.17Å; T63-T188 HydrophobicContact CG2-CG2 3.77Å; A184-T188 WeakPolarHBondContact O-CB 3.42Å; A184-T188 PolarHBondContact O-N 3.44Å; A184-T188 VanDerWaalsContact O-N 3.14Å; A184-T188 PolarHBondContact O-OG1 3.37Å; M185-T188 WeakPolarHBondContact O-CB 3.29Å; M185-T188 PolarHBondContact O-N 3.5Å; M185-T188 VanDerWaalsContact O-N 3.16Å; L186-T188 PolarHBondContact O-N 3.45Å; T188-Y191 PolarHBondContact O-N 3.39Å; T188-V192 HydrophobicContact CG2-CG2 4.42Å; T188-V192 WeakPolarHBondContact O-CB 3.4Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.35Å; T188-V192 PolarHBondContact O-N 3.32Å; T188-L213 HydrophobicContact CG2-CD1 3.66Å; T188-L213 HydrophobicContact CG2-CD2 4.47Å |
| 189 | V | 95.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -52.3 | 175.4 | 164.7 | 0 | 0 | 0 | 0 | 110.9 | M185 L186 Y191 V192 Q193 Q210 L213 L214 | M185-V189 VanDerWaalsContact O-CG2 3.28Å; M185-V189 WeakPolarHBondContact O-CG2 3.4Å; M185-V189 PolarHBondContact O-N 3.46Å; L186-V189 HydrophobicContact CD1-CB 4.45Å; L186-V189 HydrophobicContact CD1-CG1 4.46Å; L186-V189 WeakPolarHBondContact O-CB 3.37Å; L186-V189 PolarHBondContact O-N 2.75Å; V189-Y191 VanDerWaalsContact C-N 3.33Å; V189-V192 PolarHBondContact O-N 3.34Å; V189-Q193 WeakPolarHBondContact O-CB 3.36Å; V189-Q193 PolarHBondContact O-N 3Å; V189-Q210 HydrophobicContact CB-CG 4.37Å; V189-Q210 HydrophobicContact CG1-CB 4.04Å; V189-Q210 HydrophobicContact CG1-CG 3.94Å; V189-Q210 HydrophobicContact CG2-CB 4.09Å; V189-Q210 HydrophobicContact CG2-CG 4.32Å; V189-Q210 PolarHBondContact O-NE2 2.79Å; V189-L213 HydrophobicContact CG2-CB 3.85Å; V189-L213 HydrophobicContact CG2-CD1 4.02Å; V189-L214 HydrophobicContact CG2-CD2 4.15Å; V189-L214 HydrophobicContact CG2-CG 4.1Å |
| 190 | I | 93.6 | Very high | 90.1 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 22% | 0.221 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -36.2 | -177.9 | -50.3 | 163.8 | 0 | 0 | 0 | 110 | L186 F187 Q193 S194 I247 V250 F254 | L186-I190 HydrophobicContact CD1-CD1 4.25Å; L186-I190 HydrophobicContact CD1-CG1 4.2Å; L186-I190 HydrophobicContact CD2-CD1 4.43Å; L186-I190 HydrophobicContact CG-CD1 3.88Å; L186-I190 HydrophobicContact CG-CG1 4.28Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.48Å; L186-I190 PolarHBondContact O-N 3.38Å; F187-I190 PolarHBondContact O-N 3.38Å; I190-Q193 PolarHBondContact O-N 3.28Å; I190-S194 WeakPolarHBondContact O-CB 3.47Å; I190-S194 PolarHBondContact O-N 3.42Å; I190-S194 PolarHBondContact O-OG 3.41Å; I190-I247 HydrophobicContact CD1-CG1 4.14Å; I190-V250 HydrophobicContact CB-CG1 3.93Å; I190-V250 HydrophobicContact CD1-CB 4.48Å; I190-V250 HydrophobicContact CD1-CG1 4.48Å; I190-V250 HydrophobicContact CG2-CB 4.44Å; I190-V250 HydrophobicContact CG2-CG1 3.41Å; I190-V250 VanDerWaalsContact CG2-CG1 3.41Å; I190-F254 HydrophobicContact CG2-CE2 4.03Å |
| 191 | Y | 92.5 | Very high | 89 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 173.3 | 178.7 | -93.1 | 0 | 0 | 0 | 112.8 | T63 I64 V67 E68 F105 F187 T188 V189 Q193 S194 R195 | T63-Y191 HydrophobicContact CG2-CD1 4.47Å; I64-Y191 HydrophobicContact CB-CE1 4.34Å; I64-Y191 HydrophobicContact CG1-CD1 4.25Å; I64-Y191 HydrophobicContact CG1-CE1 3.85Å; I64-Y191 HydrophobicContact CG1-CE2 4.16Å; V67-Y191 HydrophobicContact CB-CE1 3.99Å; V67-Y191 HydrophobicContact CG1-CE1 3.99Å; V67-Y191 HydrophobicContact CG2-CE1 4.28Å; E68-Y191 VanDerWaalsContact CG-OH 3.28Å; E68-Y191 WeakPolarHBondContact CG-OH 3.21Å; E68-Y191 PolarHBondContact OE1-OH 3.32Å; F105-Y191 HydrophobicContact CB-CE2 4.1Å; F105-Y191 HydrophobicContact CD1-CD2 4.2Å; F105-Y191 AromaticContact CD1-CE2 3.59Å; F105-Y191 HydrophobicContact CD1-CE2 3.59Å; F105-Y191 AromaticContact CD2-CE2 3.95Å; F105-Y191 HydrophobicContact CD2-CE2 3.95Å; F105-Y191 AromaticContact CE1-CE2 3.94Å; F105-Y191 HydrophobicContact CE1-CE2 3.94Å; F105-Y191 HydrophobicContact CE2-CE2 4.28Å; F105-Y191 AromaticContact CG-CE2 3.61Å; F105-Y191 HydrophobicContact CG-CE2 3.61Å; F105-Y191 HydrophobicContact CZ-CE2 4.28Å; F187-Y191 WeakPolarHBondContact O-CB 3.49Å; F187-Y191 PolarHBondContact O-N 3.04Å; T188-Y191 PolarHBondContact O-N 3.39Å; V189-Y191 VanDerWaalsContact C-N 3.33Å; Y191-Q193 VanDerWaalsContact C-N 3.33Å; Y191-Q193 PolarHBondContact O-N 2.86Å; Y191-S194 PolarHBondContact O-OG 2.65Å; Y191-R195 HydrophobicContact CD1-CG 4.48Å; Y191-R195 HydrophobicContact CD2-CG 3.92Å; Y191-R195 HydrophobicContact CE1-CG 4.21Å; Y191-R195 HydrophobicContact CE2-CG 3.61Å; Y191-R195 HydrophobicContact CG-CG 4.35Å; Y191-R195 VanDerWaalsContact O-CB 3.3Å; Y191-R195 WeakPolarHBondContact O-CB 3.34Å; Y191-R195 VanDerWaalsContact O-CG 3.3Å; Y191-R195 WeakPolarHBondContact O-CG 3.22Å; Y191-R195 PolarHBondContact O-N 2.92Å |
| 192 | V | 92.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.2 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | T63 T188 V189 S194 L196 K206 Q210 | T63-V192 HydrophobicContact CG2-CG2 3.49Å; T63-V192 VanDerWaalsContact CG2-CG2 3.49Å; T188-V192 HydrophobicContact CG2-CG2 4.42Å; T188-V192 WeakPolarHBondContact O-CB 3.4Å; T188-V192 VanDerWaalsContact O-CG2 3.3Å; T188-V192 WeakPolarHBondContact O-CG2 3.35Å; T188-V192 PolarHBondContact O-N 3.32Å; V189-V192 PolarHBondContact O-N 3.34Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 3.38Å; V192-L196 HydrophobicContact CG1-CD1 4.15Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 PolarHBondContact O-N 2.7Å; V192-L196 VanDerWaalsContact O-N 3.11Å; V192-K206 HydrophobicContact CG1-CD 4.08Å; V192-K206 HydrophobicContact CG1-CG 3.78Å; V192-Q210 HydrophobicContact CG1-CG 4.46Å |
| 193 | Q | 90.8 | Very high | 87.8 | Confident | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | -177.3 | -177.2 | 56.4 | 12 | 0 | 0 | 112.9 | V189 I190 Y191 | V189-Q193 WeakPolarHBondContact O-CB 3.36Å; V189-Q193 PolarHBondContact O-N 3Å; I190-Q193 PolarHBondContact O-N 3.28Å; Y191-Q193 VanDerWaalsContact C-N 3.33Å; Y191-Q193 PolarHBondContact O-N 2.86Å |
| 194 | S | 87.6 | Confident | 87.4 | Confident | 44 Ų | 44 | 54 Ų | 54 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.9 | -42.7 | -176.1 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | I190 Y191 V192 F254 | I190-S194 WeakPolarHBondContact O-CB 3.47Å; I190-S194 PolarHBondContact O-N 3.42Å; I190-S194 PolarHBondContact O-OG 3.41Å; Y191-S194 PolarHBondContact O-OG 2.65Å; V192-S194 VanDerWaalsContact C-N 3.33Å; V192-S194 PolarHBondContact O-N 3.38Å; S194-F254 VanDerWaalsContact CB-CE1 3.41Å; S194-F254 VanDerWaalsContact CB-CE2 3.45Å; S194-F254 WeakPolarHBondContact OG-CE1 3.49Å; S194-F254 VanDerWaalsContact OG-CE2 3.22Å; S194-F254 WeakPolarHBondContact OG-CE2 3.35Å; S194-F254 WeakPolarHBondContact OG-CZ 3.46Å |
| 195 | R | 87.3 | Confident | 86.9 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -80.9 | -25.8 | -174.6 | -63.2 | -64.9 | -69.1 | 170.4 | -1.9 | 112.7 | V67 E68 R71 Y191 F254 | V67-R195 HydrophobicContact CG1-CB 3.81Å; E68-R195 IonicContact OE1-CZ 3.35Å; E68-R195 VanDerWaalsContact OE1-CZ 3.28Å; E68-R195 IonicContact OE1-NE 3.51Å; E68-R195 PolarHBondContact OE1-NE 3.16Å; E68-R195 IonicContact OE1-NH2 2.7Å; E68-R195 PolarHBondContact OE1-NH2 3.48Å; E68-R195 IonicContact OE2-CZ 3.41Å; E68-R195 IonicContact OE2-NH2 2.65Å; E68-R195 PolarHBondContact OE2-NH2 3.18Å; R71-R195 VanDerWaalsContact CZ-NH2 3.29Å; R71-R195 PolarHBondContact NH1-O 3.5Å; R71-R195 VanDerWaalsContact NH1-O 3.11Å; Y191-R195 HydrophobicContact CD1-CG 4.48Å; Y191-R195 HydrophobicContact CD2-CG 3.92Å; Y191-R195 HydrophobicContact CE1-CG 4.21Å; Y191-R195 HydrophobicContact CE2-CG 3.61Å; Y191-R195 HydrophobicContact CG-CG 4.35Å; Y191-R195 VanDerWaalsContact O-CB 3.3Å; Y191-R195 WeakPolarHBondContact O-CB 3.34Å; Y191-R195 VanDerWaalsContact O-CG 3.3Å; Y191-R195 WeakPolarHBondContact O-CG 3.22Å; Y191-R195 PolarHBondContact O-N 2.92Å; R195-F254 HydrophobicContact CG-CE1 4.36Å |
| 196 | L | 85.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | trans | -109.4 | 83 | 177.8 | -64.8 | 172 | 0 | 0 | 0 | 110.5 | V67 F70 V192 W198 I200 K206 | V67-L196 HydrophobicContact CG1-CD1 4.49Å; V67-L196 HydrophobicContact CG1-CD2 4.09Å; V67-L196 HydrophobicContact CG1-CG 4.02Å; V67-L196 HydrophobicContact CG2-CD1 3.87Å; V67-L196 HydrophobicContact CG2-CG 4.31Å; F70-L196 HydrophobicContact CD1-CD2 4.17Å; F70-L196 HydrophobicContact CE1-CD2 4.49Å; V192-L196 HydrophobicContact CG1-CD1 4.15Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 PolarHBondContact O-N 2.7Å; V192-L196 VanDerWaalsContact O-N 3.11Å; L196-W198 VanDerWaalsContact C-N 3.3Å; L196-W198 PolarHBondContact O-N 3.33Å; L196-I200 HydrophobicContact CD1-CD1 3.99Å; L196-K206 HydrophobicContact CB-CD 4.42Å; L196-K206 PolarHBondContact O-NZ 3.11Å | ||
| 197 | S | 75.5 | Confident | 86.3 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | trans | -73.3 | -17.5 | 179 | 40.2 | 0 | 0 | 0 | 0 | 114 | Y75 | Y75-S197 PolarHBondContact OH-OG 3.34Š| ||
| 198 | W | 71.5 | Confident | 86.3 | Confident | 158 Ų | 158 | 65.4 Ų | 65.4 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -115.8 | 151.1 | -173.8 | -65.7 | 62.7 | 0 | 0 | 0 | 111.8 | Y75 L196 I200 | Y75-W198 HydrophobicContact CE2-CB 4.41Å; Y75-W198 AromaticContact CE2-CD1 3.26Å; Y75-W198 HydrophobicContact CE2-CD2 4.25Å; Y75-W198 AromaticContact CE2-CG 3.75Å; Y75-W198 HydrophobicContact CE2-CG 3.75Å; Y75-W198 AromaticContact CE2-NE1 3.57Å; Y75-W198 AromaticContact CZ-CD1 3.57Å; Y75-W198 AromaticContact CZ-NE1 3.68Å; Y75-W198 PolarHBondContact OH-NE1 2.96Å; L196-W198 VanDerWaalsContact C-N 3.3Å; L196-W198 PolarHBondContact O-N 3.33Å; W198-I200 PolarHBondContact O-N 3.47Å |
| 199 | P | 71.5 | Confident | 86.2 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | trans | -64.7 | 129.1 | 170.3 | 29.2 | -35.1 | 0 | 0 | 0 | 109.8 | ||||
| 200 | I | 69.3 | Low | 86.2 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -74.8 | -44.7 | 178.3 | -54.2 | 169.8 | 0 | 0 | 0 | 110.1 | F70 L196 W198 | F70-I200 HydrophobicContact CE2-CG2 4.42Å; F70-I200 HydrophobicContact CZ-CG2 4.1Å; L196-I200 HydrophobicContact CD1-CD1 3.99Å; W198-I200 PolarHBondContact O-N 3.47Å |
| 201 | I | 75.5 | Confident | 86.4 | Confident | 154 Ų | 154 | 73.1 Ų | 73.1 | 79% | 0.79 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -137.5 | -52.2 | -178.4 | -60.3 | 169.3 | 0 | 0 | 0 | 109.6 | ||
| 202 | S | 84 | Confident | 86.7 | Confident | 52 Ų | 52 | 76.8 Ų | 76.8 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | trans | -134.8 | 151.6 | 176.4 | 161 | 0 | 0 | 0 | 0 | 109.8 | L204 V205 | S202-L204 PolarHBondContact O-N 3.18Å; S202-L204 PolarHBondContact OG-N 3.23Å; S202-V205 PolarHBondContact O-N 3.14Å | ||
| 203 | H | 86.1 | Confident | 87 | Confident | 152 Ų | 152 | 77 Ų | 77 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.8 | 175.7 | -67.8 | -86.5 | 0 | 0 | 0 | 113 | P207 | H203-P207 VanDerWaalsContact O-CD 3.24Å; H203-P207 WeakPolarHBondContact O-CD 3.2Å |
| 204 | L | 90 | Very high | 87.3 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -16 | -178.2 | -63.4 | 179.1 | 0 | 0 | 0 | 114.6 | S202 K206 P207 F208 | S202-L204 PolarHBondContact O-N 3.18Å; S202-L204 PolarHBondContact OG-N 3.23Å; L204-K206 PolarHBondContact O-N 2.82Å; L204-P207 WeakPolarHBondContact O-CD 3.42Å; L204-P207 WeakPolarHBondContact O-CG 3.49Å; L204-F208 WeakPolarHBondContact O-CB 2.99Å; L204-F208 PolarHBondContact O-N 2.92Å |
| 205 | V | 89.4 | Confident | 87.8 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | -176 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | S202 F208 I209 | S202-V205 PolarHBondContact O-N 3.14Å; V205-F208 PolarHBondContact O-N 3.02Å; V205-I209 HydrophobicContact CG1-CD1 3.85Å; V205-I209 WeakPolarHBondContact O-CG1 3.33Å; V205-I209 PolarHBondContact O-N 2.83Å |
| 206 | K | 90.3 | Very high | 88.4 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.4 | -55.6 | 179.5 | -176.1 | 173.1 | 68 | 170.6 | 0 | 112.7 | V192 L196 L204 F208 I209 Q210 | V192-K206 HydrophobicContact CG1-CD 4.08Å; V192-K206 HydrophobicContact CG1-CG 3.78Å; L196-K206 HydrophobicContact CB-CD 4.42Å; L196-K206 PolarHBondContact O-NZ 3.11Å; L204-K206 PolarHBondContact O-N 2.82Å; K206-F208 PolarHBondContact O-N 2.95Å; K206-I209 PolarHBondContact O-N 3Å; K206-Q210 WeakPolarHBondContact O-CG 3.32Å; K206-Q210 PolarHBondContact O-N 3.05Å |
| 207 | P | 93.4 | Very high | 89 | Confident | 57 Ų | 57 | 77 Ų | 77 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -32 | 178.2 | 23.4 | -33.3 | 0 | 0 | 0 | 112.3 | H203 L204 Q210 F211 | H203-P207 VanDerWaalsContact O-CD 3.24Å; H203-P207 WeakPolarHBondContact O-CD 3.2Å; L204-P207 WeakPolarHBondContact O-CD 3.42Å; L204-P207 WeakPolarHBondContact O-CG 3.49Å; P207-Q210 PolarHBondContact O-N 3.44Å; P207-F211 WeakPolarHBondContact O-CB 3.33Å; P207-F211 PolarHBondContact O-N 3.2Å |
| 208 | F | 94.7 | Very high | 90.1 | Very high | 122 Ų | 122 | 78.8 Ų | 78.8 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 174.8 | -176.2 | -110.8 | 0 | 0 | 0 | 112.6 | L204 V205 K206 Q210 F211 L212 | L204-F208 WeakPolarHBondContact O-CB 2.99Å; L204-F208 PolarHBondContact O-N 2.92Å; V205-F208 PolarHBondContact O-N 3.02Å; K206-F208 PolarHBondContact O-N 2.95Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; F208-Q210 PolarHBondContact O-N 2.78Å; F208-F211 WeakPolarHBondContact O-CB 3.47Å; F208-F211 PolarHBondContact O-N 2.92Å; F208-L212 HydrophobicContact CD1-CD1 4.05Å; F208-L212 HydrophobicContact CE1-CD1 3.54Å; F208-L212 HydrophobicContact CE1-CG 4.19Å; F208-L212 HydrophobicContact CE2-CD2 4.41Å; F208-L212 HydrophobicContact CE2-CG 4.42Å; F208-L212 HydrophobicContact CZ-CD1 3.85Å; F208-L212 HydrophobicContact CZ-CD2 4.18Å; F208-L212 HydrophobicContact CZ-CG 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.3Å; F208-L212 PolarHBondContact O-N 2.91Å |
| 209 | I | 94.4 | Very high | 91.3 | Very high | 72 Ų | 72 | 75 Ų | 75 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.3 | -69.3 | 166.6 | 0 | 0 | 0 | 110.5 | V205 K206 F211 L212 L213 | V205-I209 HydrophobicContact CG1-CD1 3.85Å; V205-I209 WeakPolarHBondContact O-CG1 3.33Å; V205-I209 PolarHBondContact O-N 2.83Å; K206-I209 PolarHBondContact O-N 3Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.16Å; I209-L212 PolarHBondContact O-N 3.27Å; I209-L213 HydrophobicContact CG2-CD1 4.07Å; I209-L213 HydrophobicContact CG2-CG 4.42Å; I209-L213 VanDerWaalsContact O-CG 3.29Å; I209-L213 WeakPolarHBondContact O-CG 3.46Å; I209-L213 PolarHBondContact O-N 2.96Å |
| 210 | Q | 95.7 | Very high | 92.6 | Very high | 27 Ų | 27 | 72.3 Ų | 72.3 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 178.8 | -69.8 | 168.4 | -19.8 | 0 | 0 | 111.9 | V189 V192 K206 P207 F208 L213 L214 | V189-Q210 HydrophobicContact CB-CG 4.37Å; V189-Q210 HydrophobicContact CG1-CB 4.04Å; V189-Q210 HydrophobicContact CG1-CG 3.94Å; V189-Q210 HydrophobicContact CG2-CB 4.09Å; V189-Q210 HydrophobicContact CG2-CG 4.32Å; V189-Q210 PolarHBondContact O-NE2 2.79Å; V192-Q210 HydrophobicContact CG1-CG 4.46Å; K206-Q210 WeakPolarHBondContact O-CG 3.32Å; K206-Q210 PolarHBondContact O-N 3.05Å; P207-Q210 PolarHBondContact O-N 3.44Å; F208-Q210 VanDerWaalsContact C-N 3.31Å; F208-Q210 PolarHBondContact O-N 2.78Å; Q210-L213 PolarHBondContact O-N 3.42Å; Q210-L214 WeakPolarHBondContact O-CG 3.1Å; Q210-L214 PolarHBondContact O-N 2.88Å |
| 211 | F | 97.7 | Very high | 94 | Very high | 124 Ų | 124 | 68.3 Ų | 68.3 | 54% | 0.544 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.2 | 173.4 | -104 | 0 | 0 | 0 | 111.6 | P207 F208 I209 L213 L214 C215 | P207-F211 WeakPolarHBondContact O-CB 3.33Å; P207-F211 PolarHBondContact O-N 3.2Å; F208-F211 WeakPolarHBondContact O-CB 3.47Å; F208-F211 PolarHBondContact O-N 2.92Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.16Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.09Å; F211-L214 PolarHBondContact O-N 2.93Å; F211-L214 VanDerWaalsContact O-N 3.14Å; F211-C215 VanDerWaalsContact CE1-SG 3.58Å; F211-C215 WeakPolarHBondContact CZ-SG 3.3Å; F211-C215 PolarHBondContact O-N 2.96Å; F211-C215 PolarHBondContact O-SG 2.72Å; F211-C215 VanDerWaalsContact O-SG 3.32Å |
| 212 | L | 98.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 66.2 Ų | 66.2 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.7 | -68.8 | -179.6 | 0 | 0 | 0 | 112.6 | F208 I209 L214 C215 I216 | F208-L212 HydrophobicContact CD1-CD1 4.05Å; F208-L212 HydrophobicContact CE1-CD1 3.54Å; F208-L212 HydrophobicContact CE1-CG 4.19Å; F208-L212 HydrophobicContact CE2-CD2 4.41Å; F208-L212 HydrophobicContact CE2-CG 4.42Å; F208-L212 HydrophobicContact CZ-CD1 3.85Å; F208-L212 HydrophobicContact CZ-CD2 4.18Å; F208-L212 HydrophobicContact CZ-CG 4.13Å; F208-L212 WeakPolarHBondContact O-CG 3.3Å; F208-L212 PolarHBondContact O-N 2.91Å; I209-L212 PolarHBondContact O-N 3.27Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 3.2Å; L212-C215 WeakPolarHBondContact O-CB 3.34Å; L212-C215 PolarHBondContact O-N 3.21Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.26Å |
| 213 | L | 98.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.6 | -68.7 | 170.8 | 0 | 0 | 0 | 111.5 | I59 M185 T188 V189 I209 Q210 F211 I216 A217 | I59-L213 HydrophobicContact CG2-CD2 3.47Å; I59-L213 VanDerWaalsContact CG2-CD2 3.47Å; M185-L213 HydrophobicContact CB-CB 4.29Å; M185-L213 VanDerWaalsContact CB-O 3.28Å; M185-L213 WeakPolarHBondContact CB-O 3.39Å; M185-L213 VanDerWaalsContact CG-O 3.25Å; M185-L213 WeakPolarHBondContact CG-O 3.48Å; M185-L213 HydrophobicContact SD-CB 4.34Å; M185-L213 HydrophobicContact SD-CD2 3.73Å; T188-L213 HydrophobicContact CG2-CD1 3.66Å; T188-L213 HydrophobicContact CG2-CD2 4.47Å; V189-L213 HydrophobicContact CG2-CB 3.85Å; V189-L213 HydrophobicContact CG2-CD1 4.02Å; I209-L213 HydrophobicContact CG2-CD1 4.07Å; I209-L213 HydrophobicContact CG2-CG 4.42Å; I209-L213 VanDerWaalsContact O-CG 3.29Å; I209-L213 WeakPolarHBondContact O-CG 3.46Å; I209-L213 PolarHBondContact O-N 2.96Å; Q210-L213 PolarHBondContact O-N 3.42Å; F211-L213 VanDerWaalsContact C-N 3.32Å; F211-L213 PolarHBondContact O-N 3.09Å; L213-I216 PolarHBondContact O-N 2.91Å; L213-A217 PolarHBondContact O-N 3.49Å; L213-A217 VanDerWaalsContact O-N 3.14Å |
| 214 | L | 98.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.1 | -65.9 | 177.7 | 0 | 0 | 0 | 111.5 | L186 V189 Q210 F211 L212 I216 A217 F218 | L186-L214 HydrophobicContact CD1-CD2 4.18Å; V189-L214 HydrophobicContact CG2-CD2 4.15Å; V189-L214 HydrophobicContact CG2-CG 4.1Å; Q210-L214 WeakPolarHBondContact O-CG 3.1Å; Q210-L214 PolarHBondContact O-N 2.88Å; F211-L214 PolarHBondContact O-N 2.93Å; F211-L214 VanDerWaalsContact O-N 3.14Å; L212-L214 VanDerWaalsContact C-N 3.35Å; L212-L214 PolarHBondContact O-N 3.2Å; L214-I216 VanDerWaalsContact C-N 3.3Å; L214-I216 PolarHBondContact O-N 2.9Å; L214-A217 PolarHBondContact O-N 3.08Å; L214-A217 VanDerWaalsContact O-N 3.16Å; L214-F218 WeakPolarHBondContact O-CD2 3.35Å; L214-F218 PolarHBondContact O-N 3.26Å |
| 215 | C | 98.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 173.3 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | F211 L212 A217 F218 S219 | F211-C215 VanDerWaalsContact CE1-SG 3.58Å; F211-C215 WeakPolarHBondContact CZ-SG 3.3Å; F211-C215 PolarHBondContact O-N 2.96Å; F211-C215 PolarHBondContact O-SG 2.72Å; F211-C215 VanDerWaalsContact O-SG 3.32Å; L212-C215 WeakPolarHBondContact O-CB 3.34Å; L212-C215 PolarHBondContact O-N 3.21Å; C215-A217 PolarHBondContact O-N 3.24Å; C215-F218 PolarHBondContact O-N 2.64Å; C215-S219 WeakPolarHBondContact O-CB 3.04Å; C215-S219 PolarHBondContact O-N 3.25Å; C215-S219 PolarHBondContact O-OG 2.65Å |
| 216 | I | 98.3 | Very high | 97 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 175.8 | -68.4 | 166 | 0 | 0 | 0 | 111 | I55 I59 M185 L212 L213 L214 F218 S219 V220 | I55-I216 HydrophobicContact CG2-CG2 3.46Å; I55-I216 VanDerWaalsContact CG2-CG2 3.46Å; I59-I216 HydrophobicContact CD1-CD1 4.1Å; M185-I216 HydrophobicContact CG-CB 4.48Å; M185-I216 HydrophobicContact CG-CG2 4.33Å; M185-I216 HydrophobicContact SD-CB 4.26Å; M185-I216 HydrophobicContact SD-CG2 4.01Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.26Å; L213-I216 PolarHBondContact O-N 2.91Å; L214-I216 VanDerWaalsContact C-N 3.3Å; L214-I216 PolarHBondContact O-N 2.9Å; I216-F218 PolarHBondContact O-N 2.96Å; I216-S219 PolarHBondContact O-N 2.74Å; I216-V220 WeakPolarHBondContact O-CG2 3.48Å; I216-V220 PolarHBondContact O-N 3.05Å |
| 217 | A | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S181 M185 L213 L214 C215 V220 A221 | S181-A217 PolarHBondContact OG-O 3.21Å; M185-A217 HydrophobicContact CB-CB 3.87Å; M185-A217 HydrophobicContact CG-CB 3.84Å; L213-A217 PolarHBondContact O-N 3.49Å; L213-A217 VanDerWaalsContact O-N 3.14Å; L214-A217 PolarHBondContact O-N 3.08Å; L214-A217 VanDerWaalsContact O-N 3.16Å; C215-A217 PolarHBondContact O-N 3.24Å; A217-V220 PolarHBondContact O-N 3.17Å; A217-A221 WeakPolarHBondContact O-CB 3.37Å; A217-A221 PolarHBondContact O-N 3.46Å |
| 218 | F | 97.9 | Very high | 97.6 | Very high | 112 Ų | 112 | 52.3 Ų | 52.3 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.7 | -89.1 | -79.5 | 0 | 0 | 0 | 112.3 | L214 C215 I216 V220 A221 L222 L239 | L214-F218 WeakPolarHBondContact O-CD2 3.35Å; L214-F218 PolarHBondContact O-N 3.26Å; C215-F218 PolarHBondContact O-N 2.64Å; I216-F218 PolarHBondContact O-N 2.96Å; F218-V220 PolarHBondContact O-N 2.98Å; F218-A221 WeakPolarHBondContact O-CB 3.37Å; F218-A221 PolarHBondContact O-N 3.41Å; F218-A221 VanDerWaalsContact O-N 3.14Å; F218-L222 WeakPolarHBondContact O-CB 3.46Å; F218-L222 VanDerWaalsContact O-CG 3.29Å; F218-L222 WeakPolarHBondContact O-CG 3.43Å; F218-L222 PolarHBondContact O-N 3.33Å; F218-L239 HydrophobicContact CD1-CD1 4.45Å; F218-L239 HydrophobicContact CE1-CD1 4.09Å |
| 219 | S | 98.3 | Very high | 97.7 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 55% | 0.552 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.5 | -44 | 177 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | C215 I216 A221 L222 S223 | C215-S219 WeakPolarHBondContact O-CB 3.04Å; C215-S219 PolarHBondContact O-N 3.25Å; C215-S219 PolarHBondContact O-OG 2.65Å; I216-S219 PolarHBondContact O-N 2.74Å; S219-A221 VanDerWaalsContact C-N 3.34Å; S219-A221 PolarHBondContact O-N 2.67Å; S219-L222 PolarHBondContact O-N 2.76Å; S219-S223 WeakPolarHBondContact O-CB 3.41Å; S219-S223 PolarHBondContact O-N 3.48Å |
| 220 | V | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | V47 L52 I55 H177 I216 A217 F218 S223 | V47-V220 HydrophobicContact CG1-CG1 4.35Å; V47-V220 HydrophobicContact CG1-CG2 4.29Å; V47-V220 HydrophobicContact CG2-CG2 4.41Å; L52-V220 HydrophobicContact CD1-CG1 4.02Å; I55-V220 HydrophobicContact CD1-CG2 4.4Å; H177-V220 HydrophobicContact CB-CG1 4.16Å; I216-V220 WeakPolarHBondContact O-CG2 3.48Å; I216-V220 PolarHBondContact O-N 3.05Å; A217-V220 PolarHBondContact O-N 3.17Å; F218-V220 PolarHBondContact O-N 2.98Å; V220-S223 PolarHBondContact O-N 2.99Å; V220-S223 PolarHBondContact O-OG 3.47Å |
| 221 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A217 F218 S219 S223 R224 V235 L239 | A217-A221 WeakPolarHBondContact O-CB 3.37Å; A217-A221 PolarHBondContact O-N 3.46Å; F218-A221 WeakPolarHBondContact O-CB 3.37Å; F218-A221 PolarHBondContact O-N 3.41Å; F218-A221 VanDerWaalsContact O-N 3.14Å; S219-A221 VanDerWaalsContact C-N 3.34Å; S219-A221 PolarHBondContact O-N 2.67Å; A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 2.9Å; A221-R224 WeakPolarHBondContact O-CB 3.5Å; A221-R224 PolarHBondContact O-N 3.36Å; A221-R224 VanDerWaalsContact O-N 3.12Å; A221-V235 HydrophobicContact CB-CG1 3.8Å; A221-L239 HydrophobicContact CB-CD1 4.15Å; A221-L239 HydrophobicContact CB-CD2 3.72Å; A221-L239 HydrophobicContact CB-CG 4.09Å |
| 222 | L | 98.2 | Very high | 98 | Very high | 111 Ų | 111 | 45.8 Ų | 45.8 | 58% | 0.581 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.6 | -35 | 178.6 | -68.6 | 174.8 | 0 | 0 | 0 | 112.2 | F218 S219 R224 V225 S226 | F218-L222 WeakPolarHBondContact O-CB 3.46Å; F218-L222 VanDerWaalsContact O-CG 3.29Å; F218-L222 WeakPolarHBondContact O-CG 3.43Å; F218-L222 PolarHBondContact O-N 3.33Å; S219-L222 PolarHBondContact O-N 2.76Å; L222-R224 PolarHBondContact O-N 3.12Å; L222-V225 PolarHBondContact O-N 2.99Å; L222-S226 PolarHBondContact O-N 3.48Å |
| 223 | S | 98 | Very high | 98 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.7 | -25.6 | 174.3 | 79.5 | 0 | 0 | 0 | 0 | 112.7 | S219 V220 A221 S226 D227 | S219-S223 WeakPolarHBondContact O-CB 3.41Å; S219-S223 PolarHBondContact O-N 3.48Å; V220-S223 PolarHBondContact O-N 2.99Å; V220-S223 PolarHBondContact O-OG 3.47Å; A221-S223 VanDerWaalsContact C-N 3.33Å; A221-S223 PolarHBondContact O-N 2.9Å; S223-S226 WeakPolarHBondContact CA-OG 3.45Å; S223-S226 PolarHBondContact O-OG 3.34Å; S223-D227 WeakPolarHBondContact O-CB 3.28Å; S223-D227 PolarHBondContact O-N 3.41Å; S223-D227 VanDerWaalsContact O-OD2 3.11Å |
| 224 | R | 98 | Very high | 98 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.4 | -28.6 | 179.4 | -58.1 | -76.4 | 43.9 | 106.5 | 27.3 | 114.2 | V47 H177 A221 L222 D227 K229 H230 V235 | V47-R224 PolarHBondContact O-NH1 3.39Å; H177-R224 HydrophobicContact CB-CG 3.86Å; A221-R224 WeakPolarHBondContact O-CB 3.5Å; A221-R224 PolarHBondContact O-N 3.36Å; A221-R224 VanDerWaalsContact O-N 3.12Å; L222-R224 PolarHBondContact O-N 3.12Å; R224-D227 IonicContact CZ-OD2 3.17Å; R224-D227 IonicContact NH2-OD2 3.48Å; R224-D227 PolarHBondContact NH2-OD2 3.16Å; R224-K229 VanDerWaalsContact NH2-CG 3.26Å; R224-K229 PolarHBondContact O-N 3.46Å; R224-H230 HydrophobicContact CB-CB 4.25Å; R224-H230 PolarHBondContact O-N 2.98Å; R224-H230 VanDerWaalsContact O-N 3.16Å; R224-V235 HydrophobicContact CB-CG2 3.89Å |
| 225 | V | 97.7 | Very high | 98 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -77.1 | -47.5 | 171.2 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | L222 D227 F228 V235 | L222-V225 PolarHBondContact O-N 2.99Å; V225-D227 VanDerWaalsContact C-N 3.27Å; V225-D227 PolarHBondContact O-N 3.03Å; V225-F228 PolarHBondContact O-N 3.05Å; V225-F228 VanDerWaalsContact O-N 3.08Å; V225-V235 HydrophobicContact CG2-CB 4.21Å; V225-V235 HydrophobicContact CG2-CG1 4.42Å; V225-V235 HydrophobicContact CG2-CG2 3.77Å |
| 226 | S | 96.9 | Very high | 98 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.2 | -25.4 | -176.9 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | L222 S223 | L222-S226 PolarHBondContact O-N 3.48Å; S223-S226 WeakPolarHBondContact CA-OG 3.45Å; S223-S226 PolarHBondContact O-OG 3.34Å |
| 227 | D | 97.2 | Very high | 98 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 15.6 | 176 | -56.7 | -27.5 | 0 | 0 | 0 | 113 | K43 T46 S223 R224 V225 K229 | K43-D227 IonicContact NZ-OD1 2.94Å; K43-D227 PolarHBondContact NZ-OD1 3.12Å; T46-D227 WeakPolarHBondContact CB-OD2 3.13Å; T46-D227 PolarHBondContact N-OD2 2.69Å; T46-D227 VanDerWaalsContact OG1-CG 3.29Å; T46-D227 PolarHBondContact OG1-OD1 2.91Å; T46-D227 PolarHBondContact OG1-OD2 3.03Å; S223-D227 WeakPolarHBondContact O-CB 3.28Å; S223-D227 PolarHBondContact O-N 3.41Å; S223-D227 VanDerWaalsContact O-OD2 3.11Å; R224-D227 IonicContact CZ-OD2 3.17Å; R224-D227 IonicContact NH2-OD2 3.48Å; R224-D227 PolarHBondContact NH2-OD2 3.16Å; V225-D227 VanDerWaalsContact C-N 3.27Å; V225-D227 PolarHBondContact O-N 3.03Å; D227-K229 HydrophobicContact CB-CG 4.2Å; D227-K229 PolarHBondContact O-N 3.05Å |
| 228 | F | 97.4 | Very high | 98 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 26.8 | 176.4 | -51.1 | -53.1 | 0 | 0 | 0 | 114.2 | Y40 P132 H133 V225 | Y40-F228 AromaticContact CD1-CD1 3.57Å; Y40-F228 HydrophobicContact CD1-CD1 3.57Å; Y40-F228 HydrophobicContact CD1-CD2 4.13Å; Y40-F228 AromaticContact CD1-CE1 3.31Å; Y40-F228 HydrophobicContact CD1-CE1 3.31Å; Y40-F228 AromaticContact CD1-CE2 3.91Å; Y40-F228 HydrophobicContact CD1-CE2 3.91Å; Y40-F228 AromaticContact CD1-CG 3.98Å; Y40-F228 HydrophobicContact CD1-CG 3.98Å; Y40-F228 AromaticContact CD1-CZ 3.5Å; Y40-F228 HydrophobicContact CD1-CZ 3.5Å; Y40-F228 VanDerWaalsContact CD1-CZ 3.5Å; Y40-F228 HydrophobicContact CD2-CD1 4.23Å; Y40-F228 HydrophobicContact CE1-CD1 4.03Å; Y40-F228 AromaticContact CE1-CE1 3.48Å; Y40-F228 HydrophobicContact CE1-CE1 3.48Å; Y40-F228 VanDerWaalsContact CE1-CE1 3.48Å; Y40-F228 AromaticContact CE1-CZ 3.86Å; Y40-F228 HydrophobicContact CE1-CZ 3.86Å; Y40-F228 HydrophobicContact CG-CB 4.42Å; Y40-F228 AromaticContact CG-CD1 3.67Å; Y40-F228 HydrophobicContact CG-CD1 3.67Å; Y40-F228 HydrophobicContact CG-CD2 4.3Å; Y40-F228 AromaticContact CG-CE1 3.94Å; Y40-F228 HydrophobicContact CG-CE1 3.94Å; Y40-F228 AromaticContact CG-CG 3.88Å; Y40-F228 HydrophobicContact CG-CG 3.88Å; Y40-F228 HydrophobicContact CG-CZ 4.36Å; P132-F228 HydrophobicContact CB-CB 4.11Å; P132-F228 WeakPolarHBondContact CB-O 3.22Å; P132-F228 WeakPolarHBondContact CD-O 3.22Å; H133-F228 PolarHBondContact CE1-O 2.86Å; H133-F228 PolarHBondContact ND1-O 2.84Å; V225-F228 PolarHBondContact O-N 3.05Å; V225-F228 VanDerWaalsContact O-N 3.08Å |
| 229 | K | 97.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -83.3 | -29.7 | 179.1 | -62.2 | -55.7 | -179 | 178.1 | 0 | 112.3 | K43 S45 R131 R224 D227 | K43-K229 WeakPolarHBondContact O-CE 3.41Å; K43-K229 PolarHBondContact O-NZ 2.83Å; S45-K229 WeakPolarHBondContact OG-CE 3.17Å; R131-K229 WeakPolarHBondContact CD-O 3.46Å; R131-K229 VanDerWaalsContact CG-O 3.3Å; R131-K229 WeakPolarHBondContact CG-O 3.15Å; R131-K229 PolarHBondContact NE-O 2.81Å; R224-K229 VanDerWaalsContact NH2-CG 3.26Å; R224-K229 PolarHBondContact O-N 3.46Å; D227-K229 HydrophobicContact CB-CG 4.2Å; D227-K229 PolarHBondContact O-N 3.05Å |
| 230 | H | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -144.6 | 148 | -175.2 | -72.4 | -46.1 | 0 | 0 | 0 | 110.7 | K124 S172 S175 R224 D234 V235 | K124-H230 PolarHBondContact NZ-CE1 3.38Å; S172-H230 PolarHBondContact O-CE1 3.15Å; S172-H230 PolarHBondContact O-ND1 3.31Å; S172-H230 PolarHBondContact OG-ND1 3.45Å; S175-H230 VanDerWaalsContact CB-CD2 3.46Å; S175-H230 WeakPolarHBondContact CB-CD2 3.44Å; S175-H230 PolarHBondContact OG-CD2 2.51Å; R224-H230 HydrophobicContact CB-CB 4.25Å; R224-H230 PolarHBondContact O-N 2.98Å; R224-H230 VanDerWaalsContact O-N 3.16Å; H230-D234 HydrophobicContact CB-CB 4.04Å; H230-V235 HydrophobicContact CB-CG2 3.76Å |
| 231 | H | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | trans | -67.4 | 153.3 | 166.7 | -61.9 | -80.3 | 0 | 0 | 0 | 109.3 | S37 R129 L130 S233 D234 V235 | S37-H231 PolarHBondContact O-CE1 3.05Å; R129-H231 PolarHBondContact NE-CD2 2.79Å; R129-H231 VanDerWaalsContact NE-CD2 3.28Å; R129-H231 VanDerWaalsContact NH2-CG 3.34Å; L130-H231 PolarHBondContact O-NE2 3.12Å; L130-H231 VanDerWaalsContact O-NE2 3.17Å; H231-S233 PolarHBondContact O-N 3.42Å; H231-S233 VanDerWaalsContact O-N 3.15Å; H231-D234 IonicContact CD2-OD2 3.74Å; H231-D234 PolarHBondContact CD2-OD2 3.44Å; H231-D234 IonicContact CG-OD2 3.06Å; H231-D234 PolarHBondContact N-OD2 3.17Å; H231-D234 WeakPolarHBondContact O-CB 3.36Å; H231-D234 PolarHBondContact O-N 3.31Å; H231-V235 PolarHBondContact O-N 3.47Å; H231-V235 VanDerWaalsContact O-N 3.15Å | ||
| 232 | W | 97.9 | Very high | 98.1 | Very high | 178 Ų | 178 | 41.7 Ų | 41.7 | 67% | 0.674 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56 | -34.9 | 179.1 | 67.7 | -96.4 | 0 | 0 | 0 | 112.1 | V235 L236 | W232-V235 WeakPolarHBondContact O-CB 3.5Å; W232-V235 PolarHBondContact O-N 2.66Å; W232-L236 HydrophobicContact CZ3-CD2 4.05Å; W232-L236 PolarHBondContact O-N 3.28Å |
| 233 | S | 98.2 | Very high | 98.1 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | R129 H231 V235 L236 T237 | R129-S233 PolarHBondContact NH1-OG 3.37Å; H231-S233 PolarHBondContact O-N 3.42Å; H231-S233 VanDerWaalsContact O-N 3.15Å; S233-V235 VanDerWaalsContact C-N 3.27Å; S233-V235 PolarHBondContact O-N 2.93Å; S233-L236 PolarHBondContact O-N 2.75Å; S233-T237 WeakPolarHBondContact O-CB 3.15Å; S233-T237 PolarHBondContact O-N 3.02Å; S233-T237 PolarHBondContact O-OG1 3.06Å; S233-T237 VanDerWaalsContact O-OG1 3.09Å |
| 234 | D | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 173.8 | -49 | -19.5 | 0 | 0 | 0 | 110.9 | R129 S172 F173 S175 H230 H231 G238 | R129-D234 WeakPolarHBondContact CD-OD1 3.36Å; R129-D234 IonicContact CZ-OD1 3.91Å; R129-D234 IonicContact NE-OD1 2.85Å; R129-D234 IonicContact NH1-OD1 3.74Å; R129-D234 PolarHBondContact NH1-OD1 2.92Å; S172-D234 WeakPolarHBondContact CB-OD2 3.48Å; S172-D234 PolarHBondContact OG-OD2 3.37Å; F173-D234 HydrophobicContact CB-CB 4.43Å; F173-D234 WeakPolarHBondContact CB-OD1 3.31Å; F173-D234 HydrophobicContact CD2-CB 4.18Å; F173-D234 VanDerWaalsContact CD2-OD1 3.22Å; F173-D234 WeakPolarHBondContact CD2-OD1 3.37Å; S175-D234 WeakPolarHBondContact CB-O 3.2Å; S175-D234 PolarHBondContact N-O 3.01Å; H230-D234 HydrophobicContact CB-CB 4.04Å; H231-D234 IonicContact CD2-OD2 3.74Å; H231-D234 PolarHBondContact CD2-OD2 3.44Å; H231-D234 IonicContact CG-OD2 3.06Å; H231-D234 PolarHBondContact N-OD2 3.17Å; H231-D234 WeakPolarHBondContact O-CB 3.36Å; H231-D234 PolarHBondContact O-N 3.31Å; D234-G238 PolarHBondContact O-N 3.15Å |
| 235 | V | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -47.5 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | S178 A221 R224 V225 H230 H231 W232 S233 G238 L239 | S178-V235 WeakPolarHBondContact OG-CG1 3.19Å; A221-V235 HydrophobicContact CB-CG1 3.8Å; R224-V235 HydrophobicContact CB-CG2 3.89Å; V225-V235 HydrophobicContact CG2-CB 4.21Å; V225-V235 HydrophobicContact CG2-CG1 4.42Å; V225-V235 HydrophobicContact CG2-CG2 3.77Å; H230-V235 HydrophobicContact CB-CG2 3.76Å; H231-V235 PolarHBondContact O-N 3.47Å; H231-V235 VanDerWaalsContact O-N 3.15Å; W232-V235 WeakPolarHBondContact O-CB 3.5Å; W232-V235 PolarHBondContact O-N 2.66Å; S233-V235 VanDerWaalsContact C-N 3.27Å; S233-V235 PolarHBondContact O-N 2.93Å; V235-G238 PolarHBondContact O-N 3.28Å; V235-L239 HydrophobicContact CG1-CD1 4.48Å; V235-L239 WeakPolarHBondContact O-CG 3.27Å; V235-L239 PolarHBondContact O-N 3.01Å |
| 236 | L | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.4 | -178.8 | 62.3 | 0 | 0 | 0 | 111.6 | W232 S233 G238 L239 F240 | W232-L236 HydrophobicContact CZ3-CD2 4.05Å; W232-L236 PolarHBondContact O-N 3.28Å; S233-L236 PolarHBondContact O-N 2.75Å; L236-G238 VanDerWaalsContact C-N 3.3Å; L236-G238 PolarHBondContact O-N 3.27Å; L236-L239 PolarHBondContact O-N 2.91Å; L236-F240 PolarHBondContact O-N 3.24Å |
| 237 | T | 98.5 | Very high | 97.7 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | F173 P174 S233 F240 I241 | F173-T237 HydrophobicContact CE1-CG2 4.28Å; F173-T237 HydrophobicContact CE2-CG2 4Å; F173-T237 VanDerWaalsContact CE2-OG1 3.32Å; F173-T237 WeakPolarHBondContact CE2-OG1 3.11Å; F173-T237 HydrophobicContact CZ-CG2 3.58Å; P174-T237 HydrophobicContact CB-CG2 4.02Å; S233-T237 WeakPolarHBondContact O-CB 3.15Å; S233-T237 PolarHBondContact O-N 3.02Å; S233-T237 PolarHBondContact O-OG1 3.06Å; S233-T237 VanDerWaalsContact O-OG1 3.09Å; T237-F240 PolarHBondContact O-N 3.28Å; T237-I241 HydrophobicContact CG2-CD1 3.77Å; T237-I241 HydrophobicContact CG2-CG1 4.23Å; T237-I241 VanDerWaalsContact O-CG1 3.28Å; T237-I241 WeakPolarHBondContact O-CG1 3.16Å; T237-I241 PolarHBondContact O-N 2.73Å |
| 238 | G | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -51.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | S179 D234 V235 L236 F240 I241 G242 | S179-G238 WeakPolarHBondContact CA-O 3.49Å; S179-G238 WeakPolarHBondContact CB-O 3.4Å; D234-G238 PolarHBondContact O-N 3.15Å; V235-G238 PolarHBondContact O-N 3.28Å; L236-G238 VanDerWaalsContact C-N 3.3Å; L236-G238 PolarHBondContact O-N 3.27Å; G238-F240 VanDerWaalsContact C-N 3.29Å; G238-F240 PolarHBondContact O-N 3.19Å; G238-I241 PolarHBondContact O-N 3.43Å; G238-G242 PolarHBondContact O-N 3.42Å |
| 239 | L | 98.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 176.1 | -71.2 | 174.7 | 0 | 0 | 0 | 111.9 | A182 F218 A221 V235 L236 S243 | A182-L239 HydrophobicContact CB-CD2 3.83Å; F218-L239 HydrophobicContact CD1-CD1 4.45Å; F218-L239 HydrophobicContact CE1-CD1 4.09Å; A221-L239 HydrophobicContact CB-CD1 4.15Å; A221-L239 HydrophobicContact CB-CD2 3.72Å; A221-L239 HydrophobicContact CB-CG 4.09Å; V235-L239 HydrophobicContact CG1-CD1 4.48Å; V235-L239 WeakPolarHBondContact O-CG 3.27Å; V235-L239 PolarHBondContact O-N 3.01Å; L236-L239 PolarHBondContact O-N 2.91Å; L239-S243 VanDerWaalsContact O-CB 3.28Å; L239-S243 WeakPolarHBondContact O-CB 3.35Å; L239-S243 PolarHBondContact O-N 3.43Å; L239-S243 PolarHBondContact O-OG 2.84Å |
| 240 | F | 98.6 | Very high | 96 | Very high | 142 Ų | 142 | 43 Ų | 43 | 62% | 0.623 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61 | -53.8 | 177.4 | 178 | -100.9 | 0 | 0 | 0 | 111.6 | L236 T237 G238 G242 S243 T244 | L236-F240 PolarHBondContact O-N 3.24Å; T237-F240 PolarHBondContact O-N 3.28Å; G238-F240 VanDerWaalsContact C-N 3.29Å; G238-F240 PolarHBondContact O-N 3.19Å; F240-G242 PolarHBondContact O-N 3.42Å; F240-S243 PolarHBondContact O-N 3.02Å; F240-T244 PolarHBondContact O-N 3.3Å; F240-T244 PolarHBondContact O-OG1 3.11Å; F240-T244 VanDerWaalsContact O-OG1 3.06Å |
| 241 | I | 98.3 | Very high | 94.9 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.7 | -51 | 178.7 | -70 | 166.3 | 0 | 0 | 0 | 110.9 | F119 P174 T237 G238 S243 T244 I245 | F119-I241 HydrophobicContact CD1-CD1 3.94Å; F119-I241 HydrophobicContact CD1-CG1 4.12Å; F119-I241 HydrophobicContact CD1-CG2 3.62Å; F119-I241 HydrophobicContact CE1-CD1 3.83Å; F119-I241 HydrophobicContact CE1-CG1 3.88Å; F119-I241 HydrophobicContact CE1-CG2 4.18Å; F119-I241 HydrophobicContact CG-CG2 4.44Å; P174-I241 HydrophobicContact CB-CD1 3.91Å; P174-I241 HydrophobicContact CG-CD1 3.65Å; T237-I241 HydrophobicContact CG2-CD1 3.77Å; T237-I241 HydrophobicContact CG2-CG1 4.23Å; T237-I241 VanDerWaalsContact O-CG1 3.28Å; T237-I241 WeakPolarHBondContact O-CG1 3.16Å; T237-I241 PolarHBondContact O-N 2.73Å; G238-I241 PolarHBondContact O-N 3.43Å; I241-S243 VanDerWaalsContact C-N 3.29Å; I241-S243 PolarHBondContact O-N 3.08Å; I241-T244 PolarHBondContact O-N 3.38Å; I241-I245 HydrophobicContact CG2-CD1 3.94Å; I241-I245 WeakPolarHBondContact O-CG1 3.42Å; I241-I245 PolarHBondContact O-N 3.34Å |
| 242 | G | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N116 S179 Y183 G238 F240 A246 | N116-G242 VanDerWaalsContact OD1-CA 3.3Å; N116-G242 WeakPolarHBondContact OD1-CA 3.26Å; S179-G242 WeakPolarHBondContact O-CA 3.38Å; Y183-G242 WeakPolarHBondContact CA-O 3.13Å; G238-G242 PolarHBondContact O-N 3.42Å; F240-G242 PolarHBondContact O-N 3.42Å; G242-A246 WeakPolarHBondContact O-CB 3.02Å; G242-A246 PolarHBondContact O-N 3Å |
| 243 | S | 98 | Very high | 92.3 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | L239 F240 I241 I245 A246 I247 | L239-S243 VanDerWaalsContact O-CB 3.28Å; L239-S243 WeakPolarHBondContact O-CB 3.35Å; L239-S243 PolarHBondContact O-N 3.43Å; L239-S243 PolarHBondContact O-OG 2.84Å; F240-S243 PolarHBondContact O-N 3.02Å; I241-S243 VanDerWaalsContact C-N 3.29Å; I241-S243 PolarHBondContact O-N 3.08Å; S243-I245 PolarHBondContact O-N 2.04Å; S243-A246 PolarHBondContact O-N 3.47Å; S243-I247 VanDerWaalsContact O-CG1 3.29Å; S243-I247 WeakPolarHBondContact O-CG1 3.43Å; S243-I247 PolarHBondContact O-N 2.92Å |
| 244 | T | 97.2 | Very high | 90.8 | Very high | 50 Ų | 50 | 40.1 Ų | 40.1 | 31% | 0.307 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | F240 I241 I247 L248 | F240-T244 PolarHBondContact O-N 3.3Å; F240-T244 PolarHBondContact O-OG1 3.11Å; F240-T244 VanDerWaalsContact O-OG1 3.06Å; I241-T244 PolarHBondContact O-N 3.38Å; T244-I247 PolarHBondContact O-N 3.02Å; T244-L248 HydrophobicContact CG2-CD1 3.86Å; T244-L248 HydrophobicContact CG2-CG 4.35Å; T244-L248 WeakPolarHBondContact O-CB 3.38Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.31Å; T244-L248 PolarHBondContact O-N 3.44Å |
| 245 | I | 95.9 | Very high | 88.8 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 180 | -67.8 | 175.3 | 0 | 0 | 0 | 111.3 | N116 F119 Y183 I241 S243 L249 | N116-I245 VanDerWaalsContact CA-CD1 3.48Å; N116-I245 HydrophobicContact CB-CD1 3.91Å; N116-I245 HydrophobicContact CB-CG2 4.22Å; F119-I245 HydrophobicContact CB-CD1 4.28Å; Y183-I245 HydrophobicContact CD2-CB 4.34Å; Y183-I245 HydrophobicContact CD2-CG2 3.91Å; Y183-I245 HydrophobicContact CE2-CG2 3.97Å; I241-I245 HydrophobicContact CG2-CD1 3.94Å; I241-I245 WeakPolarHBondContact O-CG1 3.42Å; I241-I245 PolarHBondContact O-N 3.34Å; S243-I245 PolarHBondContact O-N 2.04Å; I245-L249 HydrophobicContact CG2-CD1 3.73Å; I245-L249 WeakPolarHBondContact O-CB 3.4Å; I245-L249 WeakPolarHBondContact O-CG 3.45Å; I245-L249 PolarHBondContact O-N 3.11Å |
| 246 | A | 96.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y183 L186 F187 G242 S243 V250 | Y183-A246 HydrophobicContact CD2-CB 3.87Å; Y183-A246 HydrophobicContact CE2-CB 4.27Å; L186-A246 HydrophobicContact CB-CB 4.18Å; L186-A246 HydrophobicContact CD2-CB 4.22Å; L186-A246 HydrophobicContact CG-CB 4.29Å; F187-A246 HydrophobicContact CB-CB 4.38Å; G242-A246 WeakPolarHBondContact O-CB 3.02Å; G242-A246 PolarHBondContact O-N 3Å; S243-A246 PolarHBondContact O-N 3.47Å; A246-V250 WeakPolarHBondContact O-CB 3.48Å; A246-V250 WeakPolarHBondContact O-CG2 3.27Å; A246-V250 PolarHBondContact O-N 3.29Å |
| 247 | I | 94.1 | Very high | 84.7 | Confident | 87 Ų | 87 | 45 Ų | 45 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -49.5 | -179.9 | -67.9 | 164.9 | 0 | 0 | 0 | 111 | L186 I190 S243 T244 L249 V250 S251 | L186-I247 HydrophobicContact CD2-CD1 4.35Å; L186-I247 HydrophobicContact CD2-CG1 4.16Å; I190-I247 HydrophobicContact CD1-CG1 4.14Å; S243-I247 VanDerWaalsContact O-CG1 3.29Å; S243-I247 WeakPolarHBondContact O-CG1 3.43Å; S243-I247 PolarHBondContact O-N 2.92Å; T244-I247 PolarHBondContact O-N 3.02Å; I247-L249 PolarHBondContact O-N 2.92Å; I247-V250 PolarHBondContact O-N 3.18Å; I247-S251 PolarHBondContact O-N 3.18Å; I247-S251 PolarHBondContact O-OG 3.11Å |
| 248 | L | 90.5 | Very high | 82.6 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 57% | 0.571 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | -178.4 | -72.6 | 174.3 | 0 | 0 | 0 | 112.5 | T244 V250 V252 | T244-L248 HydrophobicContact CG2-CD1 3.86Å; T244-L248 HydrophobicContact CG2-CG 4.35Å; T244-L248 WeakPolarHBondContact O-CB 3.38Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.31Å; T244-L248 PolarHBondContact O-N 3.44Å; L248-V250 VanDerWaalsContact C-N 3.35Å; L248-V252 WeakPolarHBondContact O-CG2 3.21Å; L248-V252 PolarHBondContact O-N 3.11Å |
| 249 | L | 86.2 | Confident | 80.2 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | -179.9 | -78.5 | 167.8 | 0 | 0 | 0 | 112.1 | F111 Y183 I245 I247 S251 V252 V253 | F111-L249 HydrophobicContact CD1-CD2 3.77Å; F111-L249 HydrophobicContact CE1-CD2 3.86Å; Y183-L249 HydrophobicContact CE2-CD1 4.04Å; I245-L249 HydrophobicContact CG2-CD1 3.73Å; I245-L249 WeakPolarHBondContact O-CB 3.4Å; I245-L249 WeakPolarHBondContact O-CG 3.45Å; I245-L249 PolarHBondContact O-N 3.11Å; I247-L249 PolarHBondContact O-N 2.92Å; L249-S251 VanDerWaalsContact C-N 3.34Å; L249-V252 PolarHBondContact O-N 3.45Å; L249-V253 WeakPolarHBondContact O-CB 3.46Å; L249-V253 WeakPolarHBondContact O-CG2 3.36Å; L249-V253 PolarHBondContact O-N 2.59Å |
| 250 | V | 79.1 | Confident | 77.9 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -37.8 | -178.5 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F187 I190 A246 I247 L248 V252 V253 F254 | F187-V250 HydrophobicContact CD2-CG2 3.5Å; F187-V250 VanDerWaalsContact CD2-CG2 3.5Å; F187-V250 HydrophobicContact CE2-CG2 3.84Å; F187-V250 HydrophobicContact CG-CG2 4.31Å; I190-V250 HydrophobicContact CB-CG1 3.93Å; I190-V250 HydrophobicContact CD1-CB 4.48Å; I190-V250 HydrophobicContact CD1-CG1 4.48Å; I190-V250 HydrophobicContact CG2-CB 4.44Å; I190-V250 HydrophobicContact CG2-CG1 3.41Å; I190-V250 VanDerWaalsContact CG2-CG1 3.41Å; A246-V250 WeakPolarHBondContact O-CB 3.48Å; A246-V250 WeakPolarHBondContact O-CG2 3.27Å; A246-V250 PolarHBondContact O-N 3.29Å; I247-V250 PolarHBondContact O-N 3.18Å; L248-V250 VanDerWaalsContact C-N 3.35Å; V250-V252 VanDerWaalsContact C-N 3.31Å; V250-V252 PolarHBondContact O-N 2.98Å; V250-V253 PolarHBondContact O-N 2.91Å; V250-F254 HydrophobicContact CB-CE2 4.36Å; V250-F254 HydrophobicContact CG1-CD2 3.31Å; V250-F254 HydrophobicContact CG1-CE2 2.95Å; V250-F254 HydrophobicContact CG1-CZ 3.88Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.27Å; V250-F254 PolarHBondContact O-N 2.82Å |
| 251 | S | 75.7 | Confident | 75.4 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 170.5 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | I247 L249 I255 | I247-S251 PolarHBondContact O-N 3.18Å; I247-S251 PolarHBondContact O-OG 3.11Å; L249-S251 VanDerWaalsContact C-N 3.34Å; S251-I255 VanDerWaalsContact O-CD1 3.23Å; S251-I255 WeakPolarHBondContact O-CD1 3.33Å; S251-I255 WeakPolarHBondContact O-CG1 3.34Å; S251-I255 PolarHBondContact O-N 3.15Å |
| 252 | V | 72.6 | Confident | 74.2 | Confident | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 176.4 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | L248 L249 V250 I255 Q256 | L248-V252 WeakPolarHBondContact O-CG2 3.21Å; L248-V252 PolarHBondContact O-N 3.11Å; L249-V252 PolarHBondContact O-N 3.45Å; V250-V252 VanDerWaalsContact C-N 3.31Å; V250-V252 PolarHBondContact O-N 2.98Å; V252-I255 PolarHBondContact O-N 3.19Å; V252-Q256 WeakPolarHBondContact O-CG 3.15Å; V252-Q256 PolarHBondContact O-N 3.04Å; V252-Q256 VanDerWaalsContact O-N 3.16Å |
| 253 | V | 68.1 | Low | 72.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | -179.7 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | F104 F105 Y108 L249 V250 Q256 G257 | F104-V253 HydrophobicContact CE1-CG1 4.2Å; F105-V253 HydrophobicContact CD1-CG1 3.89Å; F105-V253 HydrophobicContact CE1-CG1 3.78Å; Y108-V253 VanDerWaalsContact CB-CG2 3.49Å; Y108-V253 HydrophobicContact CD1-CG2 3.33Å; Y108-V253 HydrophobicContact CD2-CG2 3.79Å; Y108-V253 HydrophobicContact CE1-CG2 3.93Å; Y108-V253 HydrophobicContact CE2-CG2 4.41Å; Y108-V253 HydrophobicContact CG-CG2 3.26Å; L249-V253 WeakPolarHBondContact O-CB 3.46Å; L249-V253 WeakPolarHBondContact O-CG2 3.36Å; L249-V253 PolarHBondContact O-N 2.59Å; V250-V253 PolarHBondContact O-N 2.91Å; V253-Q256 CarbonylContact O-C 3.25Å; V253-Q256 PolarHBondContact O-N 3.37Å; V253-G257 VanDerWaalsContact O-CA 3.29Å; V253-G257 WeakPolarHBondContact O-CA 3.47Å; V253-G257 PolarHBondContact O-N 3.12Å |
| 254 | F | 66.5 | Low | 71.6 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.7 | -38 | 179.3 | -73.2 | -50.5 | 0 | 0 | 0 | 112.8 | I190 S194 R195 V250 Q256 G257 D258 | I190-F254 HydrophobicContact CG2-CE2 4.03Å; S194-F254 VanDerWaalsContact CB-CE1 3.41Å; S194-F254 VanDerWaalsContact CB-CE2 3.45Å; S194-F254 WeakPolarHBondContact OG-CE1 3.49Å; S194-F254 VanDerWaalsContact OG-CE2 3.22Å; S194-F254 WeakPolarHBondContact OG-CE2 3.35Å; S194-F254 WeakPolarHBondContact OG-CZ 3.46Å; R195-F254 HydrophobicContact CG-CE1 4.36Å; V250-F254 HydrophobicContact CB-CE2 4.36Å; V250-F254 HydrophobicContact CG1-CD2 3.31Å; V250-F254 HydrophobicContact CG1-CE2 2.95Å; V250-F254 HydrophobicContact CG1-CZ 3.88Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.27Å; V250-F254 PolarHBondContact O-N 2.82Å; F254-Q256 PolarHBondContact O-N 3.21Å; F254-G257 PolarHBondContact O-N 2.72Å; F254-D258 PolarHBondContact O-N 3.25Å |
| 255 | I | 56.2 | Low | 70.1 | Confident | 131 Ų | 131 | 58.5 Ų | 58.5 | 67% | 0.672 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.6 | -34.2 | 172 | -67.6 | 165.6 | 0 | 0 | 0 | 111 | S251 V252 | S251-I255 VanDerWaalsContact O-CD1 3.23Å; S251-I255 WeakPolarHBondContact O-CD1 3.33Å; S251-I255 WeakPolarHBondContact O-CG1 3.34Å; S251-I255 PolarHBondContact O-N 3.15Å; V252-I255 PolarHBondContact O-N 3.19Å |
| 256 | Q | 57.5 | Low | 68.4 | Low | 81 Ų | 81 | 60.6 Ų | 60.6 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -95.2 | -26.8 | 179.7 | -66.8 | -176 | -29.8 | 0 | 0 | 114.5 | F104 Y108 V252 V253 F254 S259 V260 | F104-Q256 HydrophobicContact CZ-CB 4.18Å; Y108-Q256 PolarHBondContact OH-OE1 3.49Å; V252-Q256 WeakPolarHBondContact O-CG 3.15Å; V252-Q256 PolarHBondContact O-N 3.04Å; V252-Q256 VanDerWaalsContact O-N 3.16Å; V253-Q256 CarbonylContact O-C 3.25Å; V253-Q256 PolarHBondContact O-N 3.37Å; F254-Q256 PolarHBondContact O-N 3.21Å; Q256-S259 WeakPolarHBondContact O-CA 3.09Å; Q256-S259 WeakPolarHBondContact O-CB 3.46Å; Q256-S259 PolarHBondContact O-N 3.07Å; Q256-S259 PolarHBondContact O-OG 2.93Å; Q256-V260 WeakPolarHBondContact O-CG2 3.13Å; Q256-V260 PolarHBondContact O-N 2.99Å |
| 257 | G | 53 | Low | 66.6 | Low | 2 Ų | 2 | 64.6 Ų | 64.6 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72.7 | -32.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V253 F254 S259 V260 A261 | V253-G257 VanDerWaalsContact O-CA 3.29Å; V253-G257 WeakPolarHBondContact O-CA 3.47Å; V253-G257 PolarHBondContact O-N 3.12Å; F254-G257 PolarHBondContact O-N 2.72Å; G257-S259 PolarHBondContact O-N 2.04Å; G257-V260 PolarHBondContact O-N 2.85Å; G257-V260 VanDerWaalsContact O-N 3.1Å; G257-A261 PolarHBondContact O-N 2.94Å |
| 258 | D | 56.1 | Low | 64.6 | Low | 123 Ų | 123 | 63 Ų | 63 | 66% | 0.658 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20 | 169.5 | -68 | -17.5 | 0 | 0 | 0 | 111.9 | F254 | F254-D258 PolarHBondContact O-N 3.25Š|
| 259 | S | 47.8 | Very low | 62.6 | Low | 98 Ų | 98 | 59.5 Ų | 59.5 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.5 | 172 | -35.2 | 0 | 0 | 0 | 0 | 113.7 | Q256 G257 | Q256-S259 WeakPolarHBondContact O-CA 3.09Å; Q256-S259 WeakPolarHBondContact O-CB 3.46Å; Q256-S259 PolarHBondContact O-N 3.07Å; Q256-S259 PolarHBondContact O-OG 2.93Å; G257-S259 PolarHBondContact O-N 2.04Å |
| 260 | V | 49.4 | Very low | 60.7 | Low | 60 Ų | 60 | 62.6 Ų | 62.6 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -21.8 | -177.2 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | F104 Q256 G257 | F104-V260 HydrophobicContact CD2-CG1 4.35Å; F104-V260 HydrophobicContact CD2-CG2 4.1Å; F104-V260 HydrophobicContact CE2-CG2 3.67Å; F104-V260 HydrophobicContact CG-CG1 4.4Å; F104-V260 HydrophobicContact CZ-CG2 3.98Å; Q256-V260 WeakPolarHBondContact O-CG2 3.13Å; Q256-V260 PolarHBondContact O-N 2.99Å; G257-V260 PolarHBondContact O-N 2.85Å; G257-V260 VanDerWaalsContact O-N 3.1Å |
| 261 | A | 46 | Very low | 59 | Low | 79 Ų | 79 | 67.9 Ų | 67.9 | 65% | 0.653 | 41% | 0.406 | S | S | * | . | trans | -75 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R101 G257 | R101-A261 PolarHBondContact NH2-O 2.84Å; G257-A261 PolarHBondContact O-N 2.94Å |
Retrieved 261 of 261 residues in 319.6 ms
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