| 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 | 72.1 | Confident | 86.3 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 54% | 0.542 | 46% | 0.456 | S | S | . | . | 0 | -46.9 | 0 | -74.1 | -61.7 | -89.5 | 0 | 0 | 114.6 | K3 L4 R5 K104 | M1-K3 PolarHBondContact O-N 2.88Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-R5 PolarHBondContact O-N 3Å; M1-K104 HydrophobicContact CE-CB 4.33Å | |||
| 2 | F | 79.4 | Confident | 87 | Confident | 162 Ų | 162 | 85.2 Ų | 85.2 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55 | -50.1 | -178.1 | 179.8 | -101.4 | 0 | 0 | 0 | 114.5 | L4 R5 L6 | F2-L4 VanDerWaalsContact C-N 3.29Å; F2-L4 PolarHBondContact O-N 3.19Å; F2-R5 PolarHBondContact O-N 3.33Å; F2-L6 PolarHBondContact O-N 2.95Å |
| 3 | K | 84.2 | Confident | 87.7 | Confident | 183 Ų | 183 | 82.7 Ų | 82.7 | 80% | 0.796 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -54.2 | -41.3 | 179.1 | -65.2 | -174.4 | 178.4 | -177.2 | 0 | 113.5 | M1 L6 L7 | M1-K3 PolarHBondContact O-N 2.88Å; K3-L6 PolarHBondContact O-N 3.04Å; K3-L7 PolarHBondContact O-N 2.71Å; K3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | L | 83.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 84 Ų | 84 | 39% | 0.393 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | 179.9 | -63.1 | 167.3 | 0 | 0 | 0 | 112.1 | M1 F2 L7 N8 L105 F118 | M1-L4 PolarHBondContact O-N 3.1Å; F2-L4 VanDerWaalsContact C-N 3.29Å; F2-L4 PolarHBondContact O-N 3.19Å; L4-L7 PolarHBondContact O-N 3.09Å; L4-N8 PolarHBondContact O-N 2.94Å; L4-L105 HydrophobicContact CB-CD2 3.6Å; L4-L105 HydrophobicContact CD1-CD2 4.24Å; L4-F118 HydrophobicContact CB-CE1 4.41Å; L4-F118 HydrophobicContact CD2-CE1 4.31Å; L4-F118 HydrophobicContact CD2-CZ 3.9Å; L4-F118 WeakPolarHBondContact O-CE1 3.29Å |
| 5 | R | 83.1 | Confident | 88.8 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 47% | 0.468 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 174.1 | -68.3 | -174.9 | -177.8 | 166.2 | 5.5 | 112.1 | M1 F2 L7 N8 | M1-R5 PolarHBondContact O-N 3Å; F2-R5 PolarHBondContact O-N 3.33Å; R5-L7 VanDerWaalsContact C-N 3.25Å; R5-L7 PolarHBondContact O-N 3.27Å; R5-N8 WeakPolarHBondContact O-CB 3.28Å; R5-N8 PolarHBondContact O-N 3.45Å |
| 6 | L | 88.8 | Confident | 89.3 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 172.3 | -179.8 | 62.7 | 0 | 0 | 0 | 110.7 | F2 K3 N8 A9 V10 | F2-L6 PolarHBondContact O-N 2.95Å; K3-L6 PolarHBondContact O-N 3.04Å; L6-N8 VanDerWaalsContact C-N 3.26Å; L6-N8 PolarHBondContact O-N 2.85Å; L6-A9 PolarHBondContact O-N 3.11Å; L6-V10 HydrophobicContact CD1-CG2 3.91Å; L6-V10 HydrophobicContact CG-CG2 3.94Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.07Å |
| 7 | L | 90.5 | Very high | 89.8 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 38% | 0.382 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 178 | -166.4 | 60.9 | 0 | 0 | 0 | 113 | K3 L4 R5 A9 A11 F118 | K3-L7 PolarHBondContact O-N 2.71Å; K3-L7 VanDerWaalsContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 3.09Å; R5-L7 VanDerWaalsContact C-N 3.25Å; R5-L7 PolarHBondContact O-N 3.27Å; L7-A9 PolarHBondContact O-N 3.21Å; L7-A11 HydrophobicContact CD1-CB 4.49Å; L7-A11 WeakPolarHBondContact O-CB 3.17Å; L7-A11 PolarHBondContact O-N 2.86Å; L7-F118 HydrophobicContact CB-CD1 3.75Å; L7-F118 HydrophobicContact CB-CE1 4.15Å; L7-F118 HydrophobicContact CB-CG 4.36Å; L7-F118 HydrophobicContact CD2-CB 4.17Å; L7-F118 HydrophobicContact CD2-CD1 3.62Å; L7-F118 HydrophobicContact CD2-CD2 3.72Å; L7-F118 HydrophobicContact CD2-CE1 3.9Å; L7-F118 HydrophobicContact CD2-CE2 3.98Å; L7-F118 HydrophobicContact CD2-CG 3.54Å; L7-F118 HydrophobicContact CD2-CZ 4.08Å; L7-F118 HydrophobicContact CG-CB 3.92Å; L7-F118 HydrophobicContact CG-CD1 3.63Å; L7-F118 HydrophobicContact CG-CD2 4.38Å; L7-F118 HydrophobicContact CG-CE1 4.28Å; L7-F118 HydrophobicContact CG-CG 3.71Å |
| 8 | N | 88.8 | Confident | 90.2 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 20% | 0.198 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.2 | -16.5 | 172.6 | -77.9 | -6.7 | 0 | 0 | 0 | 113.8 | L4 R5 L6 P12 H116 F118 | L4-N8 PolarHBondContact O-N 2.94Å; R5-N8 WeakPolarHBondContact O-CB 3.28Å; R5-N8 PolarHBondContact O-N 3.45Å; L6-N8 VanDerWaalsContact C-N 3.26Å; L6-N8 PolarHBondContact O-N 2.85Å; N8-P12 VanDerWaalsContact O-CD 3.32Å; N8-P12 WeakPolarHBondContact O-CD 3.26Å; N8-P12 VanDerWaalsContact O-CG 3.26Å; N8-P12 WeakPolarHBondContact O-CG 3.43Å; N8-H116 PolarHBondContact OD1-NE2 3Å; N8-F118 WeakPolarHBondContact OD1-CD1 3.41Å |
| 9 | A | 89.7 | Confident | 90.6 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -101.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L6 L7 P12 A13 | L6-A9 PolarHBondContact O-N 3.11Å; L7-A9 PolarHBondContact O-N 3.21Å; A9-P12 WeakPolarHBondContact O-CD 3.33Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 2.89Å |
| 10 | V | 94.5 | Very high | 90.9 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | -177.1 | 174.1 | 0 | 0 | 0 | 0 | 112 | L6 A13 Y14 | L6-V10 HydrophobicContact CD1-CG2 3.91Å; L6-V10 HydrophobicContact CG-CG2 3.94Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.07Å; V10-A13 PolarHBondContact O-N 3.22Å; V10-Y14 WeakPolarHBondContact O-CB 3.33Å; V10-Y14 PolarHBondContact O-N 3.08Å |
| 11 | A | 94.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L7 Y14 F15 F118 F119 | L7-A11 HydrophobicContact CD1-CB 4.49Å; L7-A11 WeakPolarHBondContact O-CB 3.17Å; L7-A11 PolarHBondContact O-N 2.86Å; A11-Y14 PolarHBondContact O-N 3.38Å; A11-F15 PolarHBondContact O-N 3.37Å; A11-F118 HydrophobicContact CB-CB 4.08Å; A11-F119 HydrophobicContact CB-CD1 3.96Å; A11-F119 HydrophobicContact CB-CE1 4.23Å; A11-F119 HydrophobicContact CB-CG 4.21Å |
| 12 | P | 94.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 13% | 0.13 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 171.2 | -24.1 | 34.9 | 0 | 0 | 0 | 112.6 | N8 A9 Y14 F15 F16 F118 F119 | N8-P12 VanDerWaalsContact O-CD 3.32Å; N8-P12 WeakPolarHBondContact O-CD 3.26Å; N8-P12 VanDerWaalsContact O-CG 3.26Å; N8-P12 WeakPolarHBondContact O-CG 3.43Å; A9-P12 WeakPolarHBondContact O-CD 3.33Å; P12-Y14 VanDerWaalsContact C-N 3.32Å; P12-Y14 PolarHBondContact O-N 3.18Å; P12-F15 WeakPolarHBondContact O-CB 3.23Å; P12-F15 PolarHBondContact O-N 3.24Å; P12-F15 VanDerWaalsContact O-N 3.16Å; P12-F16 HydrophobicContact CB-CE2 4.48Å; P12-F16 WeakPolarHBondContact O-CD2 3.17Å; P12-F16 PolarHBondContact O-N 3.15Å; P12-F118 WeakPolarHBondContact CD-O 3.45Å; P12-F119 WeakPolarHBondContact CG-O 3.25Å |
| 13 | A | 95.7 | Very high | 93.4 | Very high | 53 Ų | 53 | 62 Ų | 62 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A9 V10 S17 | A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 2.89Å; V10-A13 PolarHBondContact O-N 3.22Å; A13-S17 VanDerWaalsContact O-CB 3.29Å; A13-S17 WeakPolarHBondContact O-CB 3.2Å; A13-S17 PolarHBondContact O-N 3.49Å; A13-S17 PolarHBondContact O-OG 3.4Å |
| 14 | Y | 96.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 173.2 | 170.1 | -101.1 | 0 | 0 | 0 | 111.8 | V10 A11 P12 S17 A18 F119 V197 I201 | V10-Y14 WeakPolarHBondContact O-CB 3.33Å; V10-Y14 PolarHBondContact O-N 3.08Å; A11-Y14 PolarHBondContact O-N 3.38Å; P12-Y14 VanDerWaalsContact C-N 3.32Å; P12-Y14 PolarHBondContact O-N 3.18Å; Y14-S17 PolarHBondContact O-N 3.43Å; Y14-A18 WeakPolarHBondContact O-CB 3.5Å; Y14-A18 PolarHBondContact O-N 3.38Å; Y14-F119 HydrophobicContact CD1-CE1 4.07Å; Y14-F119 HydrophobicContact CE1-CE1 4.46Å; Y14-V197 WeakPolarHBondContact OH-CG1 3.37Å; Y14-I201 HydrophobicContact CE1-CD1 4Å; Y14-I201 HydrophobicContact CE1-CG1 4.43Å |
| 15 | F | 95.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -53 | 178.4 | 172.1 | -107.5 | 0 | 0 | 0 | 111.7 | A11 P12 S17 A18 T19 L61 Y64 F135 T139 | A11-F15 PolarHBondContact O-N 3.37Å; P12-F15 WeakPolarHBondContact O-CB 3.23Å; P12-F15 PolarHBondContact O-N 3.24Å; P12-F15 VanDerWaalsContact O-N 3.16Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 2.89Å; F15-A18 PolarHBondContact O-N 2.88Å; F15-T19 PolarHBondContact O-N 2.98Å; F15-T19 PolarHBondContact O-OG1 3.25Å; F15-L61 HydrophobicContact CE1-CD2 3.89Å; F15-L61 HydrophobicContact CZ-CD2 4.04Å; F15-Y64 HydrophobicContact CD1-CD2 4.01Å; F15-Y64 AromaticContact CD1-CE2 3.74Å; F15-Y64 HydrophobicContact CD1-CE2 3.74Å; F15-Y64 HydrophobicContact CE1-CD1 4.33Å; F15-Y64 AromaticContact CE1-CD2 3.61Å; F15-Y64 HydrophobicContact CE1-CD2 3.61Å; F15-Y64 AromaticContact CE1-CE2 3.84Å; F15-Y64 HydrophobicContact CE1-CE2 3.84Å; F15-Y64 AromaticContact CE1-CG 3.88Å; F15-Y64 HydrophobicContact CE1-CG 3.88Å; F15-Y64 HydrophobicContact CG-CE2 4.47Å; F15-Y64 HydrophobicContact CZ-CD2 4.13Å; F15-Y64 HydrophobicContact CZ-CG 4.47Å; F15-F135 HydrophobicContact CD2-CZ 4.49Å; F15-F135 HydrophobicContact CE1-CE2 4.4Å; F15-F135 AromaticContact CE2-CE2 3.67Å; F15-F135 HydrophobicContact CE2-CE2 3.67Å; F15-F135 HydrophobicContact CE2-CZ 4.07Å; F15-F135 AromaticContact CZ-CE2 3.61Å; F15-F135 HydrophobicContact CZ-CE2 3.61Å; F15-F135 HydrophobicContact CZ-CZ 4.3Å; F15-T139 HydrophobicContact CE2-CG2 4.45Å |
| 16 | F | 96.6 | Very high | 95.4 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 179.6 | -73.5 | -64.6 | 0 | 0 | 0 | 113.1 | P12 T19 A20 L61 Y64 | P12-F16 HydrophobicContact CB-CE2 4.48Å; P12-F16 WeakPolarHBondContact O-CD2 3.17Å; P12-F16 PolarHBondContact O-N 3.15Å; F16-T19 PolarHBondContact O-N 3.24Å; F16-A20 WeakPolarHBondContact O-CB 3.35Å; F16-A20 PolarHBondContact O-N 3.13Å; F16-L61 HydrophobicContact CE1-CD2 4.33Å; F16-Y64 HydrophobicContact CE1-CE1 4.4Å; F16-Y64 AromaticContact CE2-CE1 3.91Å; F16-Y64 HydrophobicContact CE2-CE1 3.91Å; F16-Y64 HydrophobicContact CZ-CD1 4.08Å; F16-Y64 AromaticContact CZ-CE1 3.46Å; F16-Y64 HydrophobicContact CZ-CE1 3.46Å; F16-Y64 VanDerWaalsContact CZ-CE1 3.46Å |
| 17 | S | 97.4 | Very high | 95.8 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -47 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | A13 Y14 F15 T19 A20 V21 | A13-S17 VanDerWaalsContact O-CB 3.29Å; A13-S17 WeakPolarHBondContact O-CB 3.2Å; A13-S17 PolarHBondContact O-N 3.49Å; A13-S17 PolarHBondContact O-OG 3.4Å; Y14-S17 PolarHBondContact O-N 3.43Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 2.89Å; S17-T19 VanDerWaalsContact C-N 3.33Å; S17-T19 PolarHBondContact O-N 3.35Å; S17-A20 PolarHBondContact O-N 3.18Å; S17-V21 WeakPolarHBondContact O-CG2 3.44Å; S17-V21 PolarHBondContact O-N 2.97Å |
| 18 | A | 97.3 | Very high | 96 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y14 F15 T22 I201 | Y14-A18 WeakPolarHBondContact O-CB 3.5Å; Y14-A18 PolarHBondContact O-N 3.38Å; F15-A18 PolarHBondContact O-N 2.88Å; A18-T22 VanDerWaalsContact O-CB 3.31Å; A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 PolarHBondContact O-N 2.9Å; A18-T22 PolarHBondContact O-OG1 3.03Å; A18-I201 HydrophobicContact CB-CD1 4.42Å |
| 19 | T | 97.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | F15 F16 S17 V21 T22 F23 M57 L61 | F15-T19 PolarHBondContact O-N 2.98Å; F15-T19 PolarHBondContact O-OG1 3.25Å; F16-T19 PolarHBondContact O-N 3.24Å; S17-T19 VanDerWaalsContact C-N 3.33Å; S17-T19 PolarHBondContact O-N 3.35Å; T19-V21 PolarHBondContact O-N 3.49Å; T19-T22 WeakPolarHBondContact O-CB 3.46Å; T19-T22 PolarHBondContact O-N 2.86Å; T19-F23 PolarHBondContact O-N 2.87Å; T19-M57 HydrophobicContact CG2-CE 4.16Å; T19-M57 HydrophobicContact CG2-SD 3.93Å; T19-L61 HydrophobicContact CG2-CD1 4.12Å; T19-L61 HydrophobicContact CG2-CD2 4.11Å; T19-L61 HydrophobicContact CG2-CG 4.42Å |
| 20 | A | 98.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 44% | 0.438 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F16 S17 T22 F23 I24 | F16-A20 WeakPolarHBondContact O-CB 3.35Å; F16-A20 PolarHBondContact O-N 3.13Å; S17-A20 PolarHBondContact O-N 3.18Å; A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 3.46Å; A20-F23 WeakPolarHBondContact O-CB 3.29Å; A20-F23 PolarHBondContact O-N 3.5Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 2.98Å |
| 21 | V | 98.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 42 Ų | 42 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111 | S17 T19 F23 I24 F25 F190 M194 | S17-V21 WeakPolarHBondContact O-CG2 3.44Å; S17-V21 PolarHBondContact O-N 2.97Å; T19-V21 PolarHBondContact O-N 3.49Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.38Å; V21-I24 PolarHBondContact O-N 3.17Å; V21-F25 HydrophobicContact CG1-CD2 3.98Å; V21-F25 HydrophobicContact CG1-CE2 3.85Å; V21-F25 HydrophobicContact CG1-CG 4.47Å; V21-F25 HydrophobicContact CG1-CZ 4.17Å; V21-F25 WeakPolarHBondContact O-CG 3.45Å; V21-F25 PolarHBondContact O-N 3.35Å; V21-F190 HydrophobicContact CG1-CE1 3.64Å; V21-F190 HydrophobicContact CG1-CZ 3.66Å; V21-F190 HydrophobicContact CG2-CZ 4.2Å; V21-M194 HydrophobicContact CB-CE 4.38Å; V21-M194 HydrophobicContact CG1-CE 3.91Å; V21-M194 HydrophobicContact CG1-CG 4.08Å; V21-M194 HydrophobicContact CG1-SD 3.97Å |
| 22 | T | 98.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | A18 T19 A20 F25 H26 F53 M57 S146 W198 | A18-T22 VanDerWaalsContact O-CB 3.31Å; A18-T22 WeakPolarHBondContact O-CB 3.36Å; A18-T22 PolarHBondContact O-N 2.9Å; A18-T22 PolarHBondContact O-OG1 3.03Å; T19-T22 WeakPolarHBondContact O-CB 3.46Å; T19-T22 PolarHBondContact O-N 2.86Å; A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 3.46Å; T22-F25 PolarHBondContact O-N 2.85Å; T22-H26 PolarHBondContact O-N 2.86Å; T22-H26 PolarHBondContact O-ND1 3.42Å; T22-F53 HydrophobicContact CG2-CE2 4.18Å; T22-F53 HydrophobicContact CG2-CZ 4.27Å; T22-M57 HydrophobicContact CG2-CE 3.71Å; T22-S146 WeakPolarHBondContact CG2-OG 3.29Å; T22-W198 HydrophobicContact CG2-CZ2 4.02Å; T22-W198 PolarHBondContact OG1-NE1 3.15Å |
| 23 | F | 98 | Very high | 96 | Very high | 89 Ų | 89 | 45 Ų | 45 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.5 | -162.3 | -82.6 | 0 | 0 | 0 | 111.3 | T19 A20 V21 F25 H26 F27 F53 L54 | T19-F23 PolarHBondContact O-N 2.87Å; A20-F23 WeakPolarHBondContact O-CB 3.29Å; A20-F23 PolarHBondContact O-N 3.5Å; V21-F23 VanDerWaalsContact C-N 3.31Å; V21-F23 PolarHBondContact O-N 3.38Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.05Å; F23-H26 PolarHBondContact O-N 3.36Å; F23-F27 AromaticContact CD1-CD2 3.55Å; F23-F27 HydrophobicContact CD1-CD2 3.55Å; F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD2-CD2 4.39Å; F23-F27 HydrophobicContact CD2-CE2 4.02Å; F23-F27 AromaticContact CE1-CD2 3.32Å; F23-F27 HydrophobicContact CE1-CD2 3.32Å; F23-F27 AromaticContact CE1-CE2 3.45Å; F23-F27 HydrophobicContact CE1-CE2 3.45Å; F23-F27 VanDerWaalsContact CE1-CE2 3.45Å; F23-F27 HydrophobicContact CE1-CG 4.31Å; F23-F27 HydrophobicContact CE2-CD2 4.21Å; F23-F27 AromaticContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CZ 4.49Å; F23-F27 HydrophobicContact CG-CD2 4.1Å; F23-F27 HydrophobicContact CG-CE2 4.2Å; F23-F27 AromaticContact CZ-CD2 3.69Å; F23-F27 HydrophobicContact CZ-CD2 3.69Å; F23-F27 AromaticContact CZ-CE2 3.25Å; F23-F27 HydrophobicContact CZ-CE2 3.25Å; F23-F27 HydrophobicContact CZ-CZ 4.1Å; F23-F27 WeakPolarHBondContact O-CD2 3.31Å; F23-F27 PolarHBondContact O-N 3.43Å; F23-F27 VanDerWaalsContact O-N 3.15Å; F23-F53 AromaticContact CD2-CE1 3.82Å; F23-F53 HydrophobicContact CD2-CE1 3.82Å; F23-F53 HydrophobicContact CD2-CZ 4.4Å; F23-F53 HydrophobicContact CE2-CE1 4.26Å; F23-F53 HydrophobicContact CG-CE1 4.39Å; F23-L54 HydrophobicContact CE2-CD2 3.93Å; F23-L54 HydrophobicContact CZ-CD2 4.26Å |
| 24 | I | 98.3 | Very high | 95.7 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 45% | 0.446 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 175.5 | -68.1 | 164.8 | 0 | 0 | 0 | 110.3 | A20 V21 H26 F27 C28 F29 | A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 2.98Å; V21-I24 PolarHBondContact O-N 3.17Å; I24-H26 VanDerWaalsContact C-N 3.33Å; I24-H26 PolarHBondContact O-N 3.27Å; I24-F27 PolarHBondContact O-N 2.99Å; I24-C28 HydrophobicContact CG2-CB 4.36Å; I24-C28 WeakPolarHBondContact O-CB 3.38Å; I24-C28 PolarHBondContact O-N 3.5Å; I24-F29 HydrophobicContact CG2-CE2 4.37Å |
| 25 | F | 98.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 178.4 | -75.7 | -15.5 | 0 | 0 | 0 | 113.7 | V21 T22 F23 F29 F30 L187 F190 L191 M194 W198 | V21-F25 HydrophobicContact CG1-CD2 3.98Å; V21-F25 HydrophobicContact CG1-CE2 3.85Å; V21-F25 HydrophobicContact CG1-CG 4.47Å; V21-F25 HydrophobicContact CG1-CZ 4.17Å; V21-F25 WeakPolarHBondContact O-CG 3.45Å; V21-F25 PolarHBondContact O-N 3.35Å; T22-F25 PolarHBondContact O-N 2.85Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.05Å; F25-F29 AromaticContact CD1-CD2 3.81Å; F25-F29 HydrophobicContact CD1-CD2 3.81Å; F25-F29 HydrophobicContact CD1-CE2 4.04Å; F25-F29 HydrophobicContact CE1-CD2 4.47Å; F25-F29 HydrophobicContact CE1-CE2 4.37Å; F25-F29 WeakPolarHBondContact O-CB 3.31Å; F25-F29 PolarHBondContact O-N 3.23Å; F25-F29 VanDerWaalsContact O-N 3.13Å; F25-F30 HydrophobicContact CB-CE1 4.46Å; F25-F30 HydrophobicContact CB-CE2 4.17Å; F25-F30 HydrophobicContact CB-CZ 4.11Å; F25-F30 PolarHBondContact O-N 3.31Å; F25-L187 HydrophobicContact CE1-CD1 4.23Å; F25-F190 HydrophobicContact CE1-CD1 4.1Å; F25-F190 HydrophobicContact CE1-CE1 4.1Å; F25-F190 HydrophobicContact CE2-CD1 4.25Å; F25-F190 HydrophobicContact CE2-CE1 4.11Å; F25-F190 AromaticContact CZ-CD1 3.37Å; F25-F190 HydrophobicContact CZ-CD1 3.37Å; F25-F190 AromaticContact CZ-CE1 3.45Å; F25-F190 HydrophobicContact CZ-CE1 3.45Å; F25-F190 VanDerWaalsContact CZ-CE1 3.45Å; F25-F190 HydrophobicContact CZ-CG 4.41Å; F25-L191 HydrophobicContact CD1-CD2 4.18Å; F25-L191 HydrophobicContact CD2-CD2 3.83Å; F25-L191 HydrophobicContact CE1-CD2 3.93Å; F25-L191 HydrophobicContact CE1-CG 4.34Å; F25-L191 HydrophobicContact CE2-CD2 3.52Å; F25-L191 HydrophobicContact CE2-CG 4.22Å; F25-L191 HydrophobicContact CG-CD2 4.1Å; F25-L191 HydrophobicContact CZ-CD2 3.55Å; F25-L191 HydrophobicContact CZ-CG 3.87Å; F25-M194 HydrophobicContact CD2-CB 4.4Å; F25-M194 HydrophobicContact CD2-CG 4.42Å; F25-M194 HydrophobicContact CE2-CB 3.75Å; F25-M194 HydrophobicContact CE2-CG 3.6Å; F25-M194 HydrophobicContact CZ-CG 4.4Å; F25-W198 AromaticContact CD2-CH2 3.68Å; F25-W198 HydrophobicContact CD2-CH2 3.68Å; F25-W198 AromaticContact CD2-CZ2 3.83Å; F25-W198 HydrophobicContact CD2-CZ2 3.83Å; F25-W198 HydrophobicContact CE2-CH2 4.34Å |
| 26 | H | 97 | Very high | 94 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -63.9 | -50.4 | 178.1 | -78.9 | 68.8 | 0 | 0 | 0 | 112.1 | T22 F23 I24 F30 I31 F53 Y145 S146 | T22-H26 PolarHBondContact O-N 2.86Å; T22-H26 PolarHBondContact O-ND1 3.42Å; F23-H26 PolarHBondContact O-N 3.36Å; I24-H26 VanDerWaalsContact C-N 3.33Å; I24-H26 PolarHBondContact O-N 3.27Å; H26-F30 AromaticContact CE1-CD2 3.94Å; H26-F30 AromaticContact ND1-CD2 3.97Å; H26-I31 VanDerWaalsContact O-CB 3.31Å; H26-I31 WeakPolarHBondContact O-CB 3.44Å; H26-I31 VanDerWaalsContact O-CG1 3.29Å; H26-I31 WeakPolarHBondContact O-CG1 3.28Å; H26-I31 PolarHBondContact O-N 2.8Å; H26-F53 HydrophobicContact CB-CD1 4.05Å; H26-F53 HydrophobicContact CB-CE1 3.77Å; H26-F53 HydrophobicContact CB-CE2 4.35Å; H26-F53 HydrophobicContact CB-CG 4.44Å; H26-F53 HydrophobicContact CB-CZ 3.92Å; H26-F53 AromaticContact CD2-CD2 3.25Å; H26-F53 WeakPolarHBondContact CD2-CD2 3.39Å; H26-F53 AromaticContact CD2-CE2 3.44Å; H26-F53 VanDerWaalsContact CD2-CE2 3.44Å; H26-F53 WeakPolarHBondContact CD2-CE2 3.43Å; H26-F53 AromaticContact CD2-CG 3.59Å; H26-F53 AromaticContact CD2-CZ 3.92Å; H26-F53 AromaticContact CE1-CD2 3.88Å; H26-F53 AromaticContact CE1-CE2 3.38Å; H26-F53 WeakPolarHBondContact CE1-CE2 3.36Å; H26-F53 AromaticContact CE1-CZ 3.98Å; H26-F53 AromaticContact CG-CD2 3.74Å; H26-F53 AromaticContact CG-CE1 3.8Å; H26-F53 AromaticContact CG-CE2 3.47Å; H26-F53 VanDerWaalsContact CG-CE2 3.47Å; H26-F53 AromaticContact CG-CZ 3.49Å; H26-F53 VanDerWaalsContact CG-CZ 3.49Å; H26-F53 AromaticContact ND1-CE2 3.43Å; H26-F53 WeakPolarHBondContact ND1-CE2 3.44Å; H26-F53 AromaticContact ND1-CZ 3.54Å; H26-F53 AromaticContact NE2-CD2 3.36Å; H26-F53 WeakPolarHBondContact NE2-CD2 3.38Å; H26-F53 AromaticContact NE2-CE2 3.39Å; H26-F53 WeakPolarHBondContact NE2-CE2 3.25Å; H26-Y145 AromaticContact NE2-CD1 3.82Å; H26-Y145 AromaticContact NE2-CE1 3.97Å; H26-S146 PolarHBondContact CE1-OG 3Å |
| 27 | F | 95.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -84.8 | -31.2 | -171.4 | -72.8 | -74.6 | 0 | 0 | 0 | 114.1 | F23 I24 I31 P32 T50 F53 L54 | F23-F27 AromaticContact CD1-CD2 3.55Å; F23-F27 HydrophobicContact CD1-CD2 3.55Å; F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD2-CD2 4.39Å; F23-F27 HydrophobicContact CD2-CE2 4.02Å; F23-F27 AromaticContact CE1-CD2 3.32Å; F23-F27 HydrophobicContact CE1-CD2 3.32Å; F23-F27 AromaticContact CE1-CE2 3.45Å; F23-F27 HydrophobicContact CE1-CE2 3.45Å; F23-F27 VanDerWaalsContact CE1-CE2 3.45Å; F23-F27 HydrophobicContact CE1-CG 4.31Å; F23-F27 HydrophobicContact CE2-CD2 4.21Å; F23-F27 AromaticContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CZ 4.49Å; F23-F27 HydrophobicContact CG-CD2 4.1Å; F23-F27 HydrophobicContact CG-CE2 4.2Å; F23-F27 AromaticContact CZ-CD2 3.69Å; F23-F27 HydrophobicContact CZ-CD2 3.69Å; F23-F27 AromaticContact CZ-CE2 3.25Å; F23-F27 HydrophobicContact CZ-CE2 3.25Å; F23-F27 HydrophobicContact CZ-CZ 4.1Å; F23-F27 WeakPolarHBondContact O-CD2 3.31Å; F23-F27 PolarHBondContact O-N 3.43Å; F23-F27 VanDerWaalsContact O-N 3.15Å; I24-F27 PolarHBondContact O-N 2.99Å; F27-I31 HydrophobicContact CD1-CD1 3.94Å; F27-I31 HydrophobicContact CE1-CD1 3.95Å; F27-P32 WeakPolarHBondContact O-CD 3.3Å; F27-P32 WeakPolarHBondContact O-CG 3.5Å; F27-T50 HydrophobicContact CE1-CG2 3.8Å; F27-T50 HydrophobicContact CZ-CG2 4.15Å; F27-F53 HydrophobicContact CD2-CE1 4.42Å; F27-F53 AromaticContact CE2-CD1 3.84Å; F27-F53 HydrophobicContact CE2-CD1 3.84Å; F27-F53 AromaticContact CE2-CE1 3.77Å; F27-F53 HydrophobicContact CE2-CE1 3.77Å; F27-F53 HydrophobicContact CZ-CD1 4.18Å; F27-L54 HydrophobicContact CE2-CD2 4.21Å; F27-L54 HydrophobicContact CZ-CD2 3.86Å; F27-L54 HydrophobicContact CZ-CG 4.15Å |
| 28 | C | 95.6 | Very high | 90.5 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 53% | 0.527 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -91.5 | -23.2 | -178.5 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | I24 | I24-C28 HydrophobicContact CG2-CB 4.36Å; I24-C28 WeakPolarHBondContact O-CB 3.38Å; I24-C28 PolarHBondContact O-N 3.5Å |
| 29 | F | 95.3 | Very high | 88.6 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -127.6 | -60.2 | -172 | -60.2 | -89.4 | 0 | 0 | 0 | 112.7 | I24 F25 T33 F153 L187 | I24-F29 HydrophobicContact CG2-CE2 4.37Å; F25-F29 AromaticContact CD1-CD2 3.81Å; F25-F29 HydrophobicContact CD1-CD2 3.81Å; F25-F29 HydrophobicContact CD1-CE2 4.04Å; F25-F29 HydrophobicContact CE1-CD2 4.47Å; F25-F29 HydrophobicContact CE1-CE2 4.37Å; F25-F29 WeakPolarHBondContact O-CB 3.31Å; F25-F29 PolarHBondContact O-N 3.23Å; F25-F29 VanDerWaalsContact O-N 3.13Å; F29-T33 VanDerWaalsContact O-CB 3.25Å; F29-T33 WeakPolarHBondContact O-CB 3.35Å; F29-T33 PolarHBondContact O-N 3.29Å; F29-T33 PolarHBondContact O-OG1 2.88Å; F29-T33 VanDerWaalsContact O-OG1 3.11Å; F29-F153 HydrophobicContact CB-CD2 4.43Å; F29-F153 HydrophobicContact CB-CE2 3.8Å; F29-F153 HydrophobicContact CB-CZ 3.99Å; F29-F153 HydrophobicContact CD1-CZ 4.14Å; F29-L187 HydrophobicContact CD1-CD2 4.35Å; F29-L187 HydrophobicContact CE1-CD1 4.21Å; F29-L187 HydrophobicContact CE1-CD2 3.59Å; F29-L187 HydrophobicContact CZ-CD1 4.1Å; F29-L187 HydrophobicContact CZ-CD2 4.16Å |
| 30 | F | 95.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -67.3 | -50.1 | -170.7 | -59.4 | -15 | 0 | 0 | 0 | 112.6 | F25 H26 I34 L149 G150 F153 L191 W198 | F25-F30 HydrophobicContact CB-CE1 4.46Å; F25-F30 HydrophobicContact CB-CE2 4.17Å; F25-F30 HydrophobicContact CB-CZ 4.11Å; F25-F30 PolarHBondContact O-N 3.31Å; H26-F30 AromaticContact CE1-CD2 3.94Å; H26-F30 AromaticContact ND1-CD2 3.97Å; F30-I34 HydrophobicContact CB-CD1 4.21Å; F30-I34 VanDerWaalsContact O-CB 3.24Å; F30-I34 WeakPolarHBondContact O-CB 3.25Å; F30-I34 VanDerWaalsContact O-CG1 3.3Å; F30-I34 WeakPolarHBondContact O-CG1 3.32Å; F30-I34 PolarHBondContact O-N 3.46Å; F30-L149 HydrophobicContact CB-CB 4.37Å; F30-L149 HydrophobicContact CB-CD1 4.49Å; F30-L149 HydrophobicContact CD2-CB 3.68Å; F30-L149 HydrophobicContact CD2-CD1 4.43Å; F30-L149 HydrophobicContact CE2-CB 4.18Å; F30-L149 HydrophobicContact CG-CB 4.18Å; F30-G150 VanDerWaalsContact CZ-CA 3.49Å; F30-F153 HydrophobicContact CD1-CB 3.61Å; F30-F153 HydrophobicContact CD1-CD1 4.37Å; F30-F153 AromaticContact CD1-CD2 3.76Å; F30-F153 HydrophobicContact CD1-CD2 3.76Å; F30-F153 AromaticContact CD1-CG 3.65Å; F30-F153 HydrophobicContact CD1-CG 3.65Å; F30-F153 HydrophobicContact CE1-CB 3.7Å; F30-F153 HydrophobicContact CE1-CD1 4.11Å; F30-F153 HydrophobicContact CE1-CD2 4.32Å; F30-F153 AromaticContact CE1-CG 3.78Å; F30-F153 HydrophobicContact CE1-CG 3.78Å; F30-L191 HydrophobicContact CE1-CD2 3.9Å; F30-L191 HydrophobicContact CZ-CD2 4.16Å; F30-W198 AromaticContact CE2-CH2 3.71Å; F30-W198 HydrophobicContact CE2-CH2 3.71Å; F30-W198 HydrophobicContact CE2-CZ3 4.14Å; F30-W198 AromaticContact CZ-CH2 3.6Å; F30-W198 HydrophobicContact CZ-CH2 3.6Å; F30-W198 AromaticContact CZ-CZ3 3.95Å; F30-W198 HydrophobicContact CZ-CZ3 3.95Å |
| 31 | I | 92.2 | Very high | 84.8 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -49.7 | -177.6 | -68.7 | 167.2 | 0 | 0 | 0 | 111.8 | H26 F27 F35 T46 | H26-I31 VanDerWaalsContact O-CB 3.31Å; H26-I31 WeakPolarHBondContact O-CB 3.44Å; H26-I31 VanDerWaalsContact O-CG1 3.29Å; H26-I31 WeakPolarHBondContact O-CG1 3.28Å; H26-I31 PolarHBondContact O-N 2.8Å; F27-I31 HydrophobicContact CD1-CD1 3.94Å; F27-I31 HydrophobicContact CE1-CD1 3.95Å; I31-F35 PolarHBondContact O-N 2.91Å; I31-F35 VanDerWaalsContact O-N 3.09Å; I31-T46 HydrophobicContact CG2-CG2 3.76Å |
| 32 | P | 90.2 | Very high | 83.2 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 25% | 0.253 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 177.7 | -24.5 | 35.4 | 0 | 0 | 0 | 113 | F27 Q36 | F27-P32 WeakPolarHBondContact O-CD 3.3Å; F27-P32 WeakPolarHBondContact O-CG 3.5Å; P32-Q36 VanDerWaalsContact O-CB 3.28Å; P32-Q36 WeakPolarHBondContact O-CB 3.46Å; P32-Q36 PolarHBondContact O-N 3.25Å |
| 33 | T | 89.8 | Confident | 81.9 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -77 | -40.3 | -173.5 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | F29 F153 V156 | F29-T33 VanDerWaalsContact O-CB 3.25Å; F29-T33 WeakPolarHBondContact O-CB 3.35Å; F29-T33 PolarHBondContact O-N 3.29Å; F29-T33 PolarHBondContact O-OG1 2.88Å; F29-T33 VanDerWaalsContact O-OG1 3.11Å; T33-F153 HydrophobicContact CG2-CD2 3.98Å; T33-F153 HydrophobicContact CG2-CE2 3.84Å; T33-F153 WeakPolarHBondContact OG1-CE2 3.24Å; T33-V156 HydrophobicContact CG2-CG1 4.13Å |
| 34 | I | 89.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -84.3 | -34.8 | -174.6 | -57.2 | 170.2 | 0 | 0 | 0 | 111.3 | F30 L149 A152 F153 | F30-I34 HydrophobicContact CB-CD1 4.21Å; F30-I34 VanDerWaalsContact O-CB 3.24Å; F30-I34 WeakPolarHBondContact O-CB 3.25Å; F30-I34 VanDerWaalsContact O-CG1 3.3Å; F30-I34 WeakPolarHBondContact O-CG1 3.32Å; F30-I34 PolarHBondContact O-N 3.46Å; I34-L149 HydrophobicContact CD1-CB 4.42Å; I34-L149 HydrophobicContact CD1-CD2 4.19Å; I34-L149 WeakPolarHBondContact CD1-O 3.37Å; I34-A152 HydrophobicContact CD1-CB 3.91Å; I34-F153 HydrophobicContact CD1-CB 4.23Å |
| 35 | F | 84.3 | Confident | 80.5 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -120 | -0.7 | -166.5 | -54.5 | -69.4 | 0 | 0 | 0 | 115.5 | I31 L42 S45 T46 H49 L149 | I31-F35 PolarHBondContact O-N 2.91Å; I31-F35 VanDerWaalsContact O-N 3.09Å; F35-L42 WeakPolarHBondContact O-CD2 3.33Å; F35-S45 VanDerWaalsContact CD1-OG 3.23Å; F35-S45 WeakPolarHBondContact CD1-OG 3.43Å; F35-T46 WeakPolarHBondContact CB-OG1 3.36Å; F35-T46 PolarHBondContact O-OG1 3.49Å; F35-T46 VanDerWaalsContact O-OG1 3.08Å; F35-H49 AromaticContact CD1-CD2 3.79Å; F35-H49 HydrophobicContact CD2-CB 4.35Å; F35-H49 AromaticContact CE1-CD2 3.26Å; F35-H49 WeakPolarHBondContact CE1-CD2 3.47Å; F35-H49 AromaticContact CE1-NE2 3.34Å; F35-H49 VanDerWaalsContact CE1-NE2 3.34Å; F35-H49 WeakPolarHBondContact CE1-NE2 3.48Å; F35-H49 HydrophobicContact CE2-CB 4.02Å; F35-H49 AromaticContact CE2-CD2 3.86Å; F35-H49 AromaticContact CE2-CG 3.78Å; F35-H49 HydrophobicContact CZ-CB 4.31Å; F35-H49 AromaticContact CZ-CD2 3.32Å; F35-H49 WeakPolarHBondContact CZ-CD2 3.31Å; F35-H49 AromaticContact CZ-CE1 3.71Å; F35-H49 AromaticContact CZ-CG 3.56Å; F35-H49 AromaticContact CZ-ND1 3.79Å; F35-H49 AromaticContact CZ-NE2 3.46Å; F35-H49 WeakPolarHBondContact CZ-NE2 3.46Å; F35-L149 HydrophobicContact CE2-CD2 3.93Å; F35-L149 HydrophobicContact CZ-CD2 3.88Å |
| 36 | Q | 71.4 | Confident | 80.1 | Confident | 134 Ų | 134 | 66.7 Ų | 66.7 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | trans | -105.6 | 81.8 | 173.1 | -60.5 | -175.5 | -22.8 | 0 | 0 | 112 | P32 | P32-Q36 VanDerWaalsContact O-CB 3.28Å; P32-Q36 WeakPolarHBondContact O-CB 3.46Å; P32-Q36 PolarHBondContact O-N 3.25Å | ||
| 37 | S | 60.9 | Low | 79.7 | Confident | 73 Ų | 73 | 71 Ų | 71 | 51% | 0.51 | 41% | 0.405 | S | S | . | . | trans | -115.1 | 143.8 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | G39 | S37-G39 PolarHBondContact O-N 3.32Š| ||
| 38 | P | 58.6 | Low | 79.6 | Confident | 138 Ų | 138 | 72.5 Ų | 72.5 | 90% | 0.896 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -74.4 | 87.9 | -166.2 | 28.8 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 39 | G | 57.7 | Low | 79.4 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -164.9 | 140.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S37 S41 L42 | S37-G39 PolarHBondContact O-N 3.32Å; G39-S41 PolarHBondContact O-N 3.08Å; G39-L42 PolarHBondContact O-N 3.25Å |
| 40 | I | 57.7 | Low | 79.4 | Confident | 171 Ų | 171 | 70.1 Ų | 70.1 | 88% | 0.877 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.1 | -24.3 | -171.3 | -65.9 | 168.7 | 0 | 0 | 0 | 113.4 | ||
| 41 | S | 59.8 | Low | 79.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 74% | 0.741 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72 | -25.9 | 175.2 | -167.3 | 0 | 0 | 0 | 0 | 114.1 | G39 | G39-S41 PolarHBondContact O-N 3.08Å |
| 42 | L | 62.9 | Low | 79.7 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 28% | 0.283 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -78.7 | -20 | -178.7 | -88.8 | 107.1 | 0 | 0 | 0 | 114.3 | F35 G39 A44 S45 T46 | F35-L42 WeakPolarHBondContact O-CD2 3.33Å; G39-L42 PolarHBondContact O-N 3.25Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 2.87Å; L42-S45 PolarHBondContact O-N 3.23Å; L42-T46 PolarHBondContact O-N 2.91Å; L42-T46 PolarHBondContact O-OG1 3.41Å |
| 43 | R | 72.4 | Confident | 80 | Confident | 206 Ų | 206 | 73.2 Ų | 73.2 | 78% | 0.777 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 176.6 | -161.6 | 177.3 | -165.3 | 178 | 4.7 | 111.7 | V47 | R43-V47 VanDerWaalsContact O-CG2 3.28Å; R43-V47 WeakPolarHBondContact O-CG2 3.49Å; R43-V47 PolarHBondContact O-N 3.44Å; R43-V47 VanDerWaalsContact O-N 3.1Å |
| 44 | A | 81.9 | Confident | 80.4 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L42 T46 V47 I48 | L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 2.87Å; A44-T46 PolarHBondContact O-N 3.21Å; A44-V47 PolarHBondContact O-N 3.47Å; A44-I48 WeakPolarHBondContact O-CB 3.34Å; A44-I48 WeakPolarHBondContact O-CD1 3.26Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 2.79Å |
| 45 | S | 85.1 | Confident | 80.9 | Confident | 35 Ų | 35 | 76.2 Ų | 76.2 | 25% | 0.245 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.3 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | F35 L42 V47 I48 H49 | F35-S45 VanDerWaalsContact CD1-OG 3.23Å; F35-S45 WeakPolarHBondContact CD1-OG 3.43Å; L42-S45 PolarHBondContact O-N 3.23Å; S45-V47 VanDerWaalsContact C-N 3.33Å; S45-V47 PolarHBondContact O-N 3.03Å; S45-I48 PolarHBondContact O-N 3.5Å; S45-H49 PolarHBondContact O-CD2 3.36Å; S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact OG-CD2 2.89Å |
| 46 | T | 88.2 | Confident | 81.5 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 15% | 0.153 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.3 | -47.6 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | I31 F35 L42 A44 T50 | I31-T46 HydrophobicContact CG2-CG2 3.76Å; F35-T46 WeakPolarHBondContact CB-OG1 3.36Å; F35-T46 PolarHBondContact O-OG1 3.49Å; F35-T46 VanDerWaalsContact O-OG1 3.08Å; L42-T46 PolarHBondContact O-N 2.91Å; L42-T46 PolarHBondContact O-OG1 3.41Å; A44-T46 PolarHBondContact O-N 3.21Å; T46-T50 VanDerWaalsContact O-CB 3.26Å; T46-T50 WeakPolarHBondContact O-CB 3.39Å; T46-T50 PolarHBondContact O-N 2.92Å; T46-T50 PolarHBondContact O-OG1 3.19Å |
| 47 | V | 90.4 | Very high | 82.8 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 178.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | R43 A44 S45 T50 A51 | R43-V47 VanDerWaalsContact O-CG2 3.28Å; R43-V47 WeakPolarHBondContact O-CG2 3.49Å; R43-V47 PolarHBondContact O-N 3.44Å; R43-V47 VanDerWaalsContact O-N 3.1Å; A44-V47 PolarHBondContact O-N 3.47Å; S45-V47 VanDerWaalsContact C-N 3.33Å; S45-V47 PolarHBondContact O-N 3.03Å; V47-T50 PolarHBondContact O-N 3.33Å; V47-A51 WeakPolarHBondContact O-CB 3.21Å; V47-A51 PolarHBondContact O-N 2.79Å |
| 48 | I | 91.8 | Very high | 84.5 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -52.2 | 179.4 | -70.1 | 163.8 | 0 | 0 | 0 | 110.5 | A44 S45 T50 A51 V52 | A44-I48 WeakPolarHBondContact O-CB 3.34Å; A44-I48 WeakPolarHBondContact O-CD1 3.26Å; A44-I48 WeakPolarHBondContact O-CG1 3.32Å; A44-I48 PolarHBondContact O-N 2.79Å; S45-I48 PolarHBondContact O-N 3.5Å; I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 PolarHBondContact O-N 3.38Å; I48-A51 PolarHBondContact O-N 3.2Å; I48-A51 VanDerWaalsContact O-N 3.15Å; I48-V52 HydrophobicContact CG2-CG2 4.35Å; I48-V52 WeakPolarHBondContact O-CG2 3.19Å; I48-V52 PolarHBondContact O-N 3Å |
| 49 | H | 93.1 | Very high | 86.4 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -33.9 | -178.9 | -77.2 | -71.7 | 0 | 0 | 0 | 112.4 | F35 S45 F53 Y145 | F35-H49 AromaticContact CD1-CD2 3.79Å; F35-H49 HydrophobicContact CD2-CB 4.35Å; F35-H49 AromaticContact CE1-CD2 3.26Å; F35-H49 WeakPolarHBondContact CE1-CD2 3.47Å; F35-H49 AromaticContact CE1-NE2 3.34Å; F35-H49 VanDerWaalsContact CE1-NE2 3.34Å; F35-H49 WeakPolarHBondContact CE1-NE2 3.48Å; F35-H49 HydrophobicContact CE2-CB 4.02Å; F35-H49 AromaticContact CE2-CD2 3.86Å; F35-H49 AromaticContact CE2-CG 3.78Å; F35-H49 HydrophobicContact CZ-CB 4.31Å; F35-H49 AromaticContact CZ-CD2 3.32Å; F35-H49 WeakPolarHBondContact CZ-CD2 3.31Å; F35-H49 AromaticContact CZ-CE1 3.71Å; F35-H49 AromaticContact CZ-CG 3.56Å; F35-H49 AromaticContact CZ-ND1 3.79Å; F35-H49 AromaticContact CZ-NE2 3.46Å; F35-H49 WeakPolarHBondContact CZ-NE2 3.46Å; S45-H49 PolarHBondContact O-CD2 3.36Å; S45-H49 PolarHBondContact O-N 2.92Å; S45-H49 PolarHBondContact OG-CD2 2.89Å; H49-F53 WeakPolarHBondContact O-CB 3.44Å; H49-F53 PolarHBondContact O-N 3.1Å; H49-Y145 WeakPolarHBondContact CA-OH 3.38Å; H49-Y145 VanDerWaalsContact CB-OH 3.32Å; H49-Y145 WeakPolarHBondContact CB-OH 3.11Å; H49-Y145 AromaticContact ND1-CZ 3.8Å; H49-Y145 PolarHBondContact ND1-OH 3.3Å; H49-Y145 PolarHBondContact O-OH 2.84Å |
| 50 | T | 94.5 | Very high | 88.3 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 171.3 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | F27 T46 V47 I48 V52 F53 L54 | F27-T50 HydrophobicContact CE1-CG2 3.8Å; F27-T50 HydrophobicContact CZ-CG2 4.15Å; T46-T50 VanDerWaalsContact O-CB 3.26Å; T46-T50 WeakPolarHBondContact O-CB 3.39Å; T46-T50 PolarHBondContact O-N 2.92Å; T46-T50 PolarHBondContact O-OG1 3.19Å; V47-T50 PolarHBondContact O-N 3.33Å; I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 PolarHBondContact O-N 3.38Å; T50-V52 PolarHBondContact O-N 3.5Å; T50-F53 PolarHBondContact O-N 2.93Å; T50-L54 HydrophobicContact CG2-CD1 3.85Å; T50-L54 HydrophobicContact CG2-CG 4.38Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.29Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 3.34Å |
| 51 | A | 96.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | V47 I48 L54 Y55 | V47-A51 WeakPolarHBondContact O-CB 3.21Å; V47-A51 PolarHBondContact O-N 2.79Å; I48-A51 PolarHBondContact O-N 3.2Å; I48-A51 VanDerWaalsContact O-N 3.15Å; A51-L54 PolarHBondContact O-N 3.32Å; A51-Y55 VanDerWaalsContact O-CB 3.28Å; A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 3.21Å |
| 52 | V | 96.9 | Very high | 92 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | I48 T50 L54 Y55 L56 Y145 | I48-V52 HydrophobicContact CG2-CG2 4.35Å; I48-V52 WeakPolarHBondContact O-CG2 3.19Å; I48-V52 PolarHBondContact O-N 3Å; T50-V52 PolarHBondContact O-N 3.5Å; V52-L54 PolarHBondContact O-N 3.01Å; V52-Y55 PolarHBondContact O-N 3.44Å; V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.2Å; V52-L56 PolarHBondContact O-N 2.82Å; V52-Y145 HydrophobicContact CG1-CD2 4.29Å; V52-Y145 HydrophobicContact CG1-CE2 3.84Å |
| 53 | F | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 179.4 | 178.4 | -110.5 | 0 | 0 | 0 | 112.2 | T22 F23 H26 F27 H49 T50 Y55 L56 M57 T142 Y145 | T22-F53 HydrophobicContact CG2-CE2 4.18Å; T22-F53 HydrophobicContact CG2-CZ 4.27Å; F23-F53 AromaticContact CD2-CE1 3.82Å; F23-F53 HydrophobicContact CD2-CE1 3.82Å; F23-F53 HydrophobicContact CD2-CZ 4.4Å; F23-F53 HydrophobicContact CE2-CE1 4.26Å; F23-F53 HydrophobicContact CG-CE1 4.39Å; H26-F53 HydrophobicContact CB-CD1 4.05Å; H26-F53 HydrophobicContact CB-CE1 3.77Å; H26-F53 HydrophobicContact CB-CE2 4.35Å; H26-F53 HydrophobicContact CB-CG 4.44Å; H26-F53 HydrophobicContact CB-CZ 3.92Å; H26-F53 AromaticContact CD2-CD2 3.25Å; H26-F53 WeakPolarHBondContact CD2-CD2 3.39Å; H26-F53 AromaticContact CD2-CE2 3.44Å; H26-F53 VanDerWaalsContact CD2-CE2 3.44Å; H26-F53 WeakPolarHBondContact CD2-CE2 3.43Å; H26-F53 AromaticContact CD2-CG 3.59Å; H26-F53 AromaticContact CD2-CZ 3.92Å; H26-F53 AromaticContact CE1-CD2 3.88Å; H26-F53 AromaticContact CE1-CE2 3.38Å; H26-F53 WeakPolarHBondContact CE1-CE2 3.36Å; H26-F53 AromaticContact CE1-CZ 3.98Å; H26-F53 AromaticContact CG-CD2 3.74Å; H26-F53 AromaticContact CG-CE1 3.8Å; H26-F53 AromaticContact CG-CE2 3.47Å; H26-F53 VanDerWaalsContact CG-CE2 3.47Å; H26-F53 AromaticContact CG-CZ 3.49Å; H26-F53 VanDerWaalsContact CG-CZ 3.49Å; H26-F53 AromaticContact ND1-CE2 3.43Å; H26-F53 WeakPolarHBondContact ND1-CE2 3.44Å; H26-F53 AromaticContact ND1-CZ 3.54Å; H26-F53 AromaticContact NE2-CD2 3.36Å; H26-F53 WeakPolarHBondContact NE2-CD2 3.38Å; H26-F53 AromaticContact NE2-CE2 3.39Å; H26-F53 WeakPolarHBondContact NE2-CE2 3.25Å; F27-F53 HydrophobicContact CD2-CE1 4.42Å; F27-F53 AromaticContact CE2-CD1 3.84Å; F27-F53 HydrophobicContact CE2-CD1 3.84Å; F27-F53 AromaticContact CE2-CE1 3.77Å; F27-F53 HydrophobicContact CE2-CE1 3.77Å; F27-F53 HydrophobicContact CZ-CD1 4.18Å; H49-F53 WeakPolarHBondContact O-CB 3.44Å; H49-F53 PolarHBondContact O-N 3.1Å; T50-F53 PolarHBondContact O-N 2.93Å; F53-Y55 VanDerWaalsContact C-N 3.32Å; F53-Y55 PolarHBondContact O-N 3.32Å; F53-L56 PolarHBondContact O-N 3.46Å; F53-M57 HydrophobicContact CD1-CG 4.47Å; F53-M57 HydrophobicContact CD2-CG 4.32Å; F53-M57 HydrophobicContact CE1-CG 3.97Å; F53-M57 HydrophobicContact CE2-CE 3.62Å; F53-M57 HydrophobicContact CE2-CG 3.81Å; F53-M57 HydrophobicContact CZ-CE 3.47Å; F53-M57 VanDerWaalsContact CZ-CE 3.47Å; F53-M57 HydrophobicContact CZ-CG 3.62Å; F53-M57 HydrophobicContact CZ-SD 4.4Å; F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 PolarHBondContact O-N 3.33Å; F53-T142 HydrophobicContact CE2-CG2 4.34Å; F53-Y145 HydrophobicContact CB-CE1 3.97Å; F53-Y145 HydrophobicContact CD2-CD1 4.17Å; F53-Y145 HydrophobicContact CD2-CE1 4.25Å |
| 54 | L | 97.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.4 | -70.7 | 176.3 | 0 | 0 | 0 | 112 | F23 F27 T50 A51 V52 M57 L58 | F23-L54 HydrophobicContact CE2-CD2 3.93Å; F23-L54 HydrophobicContact CZ-CD2 4.26Å; F27-L54 HydrophobicContact CE2-CD2 4.21Å; F27-L54 HydrophobicContact CZ-CD2 3.86Å; F27-L54 HydrophobicContact CZ-CG 4.15Å; T50-L54 HydrophobicContact CG2-CD1 3.85Å; T50-L54 HydrophobicContact CG2-CG 4.38Å; T50-L54 WeakPolarHBondContact O-CB 3.35Å; T50-L54 VanDerWaalsContact O-CG 3.29Å; T50-L54 WeakPolarHBondContact O-CG 3.32Å; T50-L54 PolarHBondContact O-N 3.34Å; A51-L54 PolarHBondContact O-N 3.32Å; V52-L54 PolarHBondContact O-N 3.01Å; L54-M57 PolarHBondContact O-N 3.05Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 2.84Å |
| 55 | Y | 98.4 | Very high | 95.4 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.4 | 170.6 | -98.9 | 0 | 0 | 0 | 112.4 | A51 V52 F53 L58 N59 Y138 F254 | A51-Y55 VanDerWaalsContact O-CB 3.28Å; A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 3.21Å; V52-Y55 PolarHBondContact O-N 3.44Å; F53-Y55 VanDerWaalsContact C-N 3.32Å; F53-Y55 PolarHBondContact O-N 3.32Å; Y55-L58 PolarHBondContact O-N 3.35Å; Y55-N59 WeakPolarHBondContact CE2-ND2 3.41Å; Y55-N59 PolarHBondContact O-N 3.18Å; Y55-N59 VanDerWaalsContact O-N 3.1Å; Y55-N59 PolarHBondContact O-ND2 2.98Å; Y55-Y138 AromaticContact CE1-CE1 3.77Å; Y55-Y138 HydrophobicContact CE1-CE1 3.77Å; Y55-Y138 PolarHBondContact OH-OH 2.86Å; Y55-F254 WeakPolarHBondContact CE2-O 3.47Å; Y55-F254 WeakPolarHBondContact OH-CA 3.32Å; Y55-F254 PolarHBondContact OH-O 3.34Å |
| 56 | L | 98.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 177.4 | -70.6 | 175.8 | 0 | 0 | 0 | 111.1 | V52 F53 N59 A60 Y138 C141 T142 Y145 | V52-L56 HydrophobicContact CG1-CD1 4.1Å; V52-L56 WeakPolarHBondContact O-CG 3.2Å; V52-L56 PolarHBondContact O-N 2.82Å; F53-L56 PolarHBondContact O-N 3.46Å; L56-N59 PolarHBondContact O-N 2.79Å; L56-A60 WeakPolarHBondContact O-CB 3.27Å; L56-A60 PolarHBondContact O-N 3.38Å; L56-Y138 HydrophobicContact CD2-CD1 3.98Å; L56-Y138 HydrophobicContact CD2-CE1 4.29Å; L56-C141 HydrophobicContact CD2-CB 3.88Å; L56-T142 WeakPolarHBondContact CB-OG1 3.42Å; L56-Y145 HydrophobicContact CD1-CG 4.1Å |
| 57 | M | 97.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 177.6 | -82.7 | -64.6 | -175.5 | 0 | 0 | 112.8 | T19 T22 F53 L54 N59 A60 L61 T142 | T19-M57 HydrophobicContact CG2-CE 4.16Å; T19-M57 HydrophobicContact CG2-SD 3.93Å; T22-M57 HydrophobicContact CG2-CE 3.71Å; F53-M57 HydrophobicContact CD1-CG 4.47Å; F53-M57 HydrophobicContact CD2-CG 4.32Å; F53-M57 HydrophobicContact CE1-CG 3.97Å; F53-M57 HydrophobicContact CE2-CE 3.62Å; F53-M57 HydrophobicContact CE2-CG 3.81Å; F53-M57 HydrophobicContact CZ-CE 3.47Å; F53-M57 VanDerWaalsContact CZ-CE 3.47Å; F53-M57 HydrophobicContact CZ-CG 3.62Å; F53-M57 HydrophobicContact CZ-SD 4.4Å; F53-M57 WeakPolarHBondContact O-CB 3.35Å; F53-M57 PolarHBondContact O-N 3.33Å; L54-M57 PolarHBondContact O-N 3.05Å; M57-N59 VanDerWaalsContact C-N 3.28Å; M57-N59 PolarHBondContact O-N 3.42Å; M57-A60 PolarHBondContact O-N 2.9Å; M57-L61 WeakPolarHBondContact O-CB 3.47Å; M57-L61 PolarHBondContact O-N 3.3Å; M57-T142 HydrophobicContact CE-CG2 3.47Å; M57-T142 VanDerWaalsContact CE-CG2 3.47Å; M57-T142 HydrophobicContact CG-CG2 4.25Å; M57-T142 HydrophobicContact SD-CG2 3.84Å |
| 58 | L | 97.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 175.9 | 174.7 | 65.8 | 0 | 0 | 0 | 110.8 | L54 Y55 G62 | L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 PolarHBondContact O-N 2.84Å; Y55-L58 PolarHBondContact O-N 3.35Å; L58-G62 VanDerWaalsContact O-CA 3.29Å; L58-G62 WeakPolarHBondContact O-CA 3.48Å; L58-G62 PolarHBondContact O-N 3.02Å |
| 59 | N | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -38.6 | -179.7 | -88.8 | -73.4 | 0 | 0 | 0 | 113 | Y55 L56 M57 N63 Y138 F254 P256 | Y55-N59 WeakPolarHBondContact CE2-ND2 3.41Å; Y55-N59 PolarHBondContact O-N 3.18Å; Y55-N59 VanDerWaalsContact O-N 3.1Å; Y55-N59 PolarHBondContact O-ND2 2.98Å; L56-N59 PolarHBondContact O-N 2.79Å; M57-N59 VanDerWaalsContact C-N 3.28Å; M57-N59 PolarHBondContact O-N 3.42Å; N59-N63 VanDerWaalsContact O-CB 3.28Å; N59-N63 WeakPolarHBondContact O-CB 3.41Å; N59-N63 PolarHBondContact O-N 2.94Å; N59-N63 PolarHBondContact O-ND2 3.3Å; N59-Y138 HydrophobicContact CB-CD1 3.33Å; N59-Y138 HydrophobicContact CB-CD2 3.56Å; N59-Y138 HydrophobicContact CB-CE1 3.49Å; N59-Y138 VanDerWaalsContact CB-CE1 3.49Å; N59-Y138 HydrophobicContact CB-CE2 3.71Å; N59-Y138 HydrophobicContact CB-CG 3.36Å; N59-F254 PolarHBondContact ND2-O 3.23Å; N59-F254 PolarHBondContact OD1-O 2.97Å; N59-F254 VanDerWaalsContact OD1-O 3.07Å; N59-P256 WeakPolarHBondContact OD1-CD 3.34Å |
| 60 | A | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -52.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L56 M57 Y64 | L56-A60 WeakPolarHBondContact O-CB 3.27Å; L56-A60 PolarHBondContact O-N 3.38Å; M57-A60 PolarHBondContact O-N 2.9Å; A60-Y64 WeakPolarHBondContact O-CB 3.15Å; A60-Y64 PolarHBondContact O-N 3.45Å |
| 61 | L | 97.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.5 | -40.4 | -179.9 | -68.7 | 175.5 | 0 | 0 | 0 | 112.5 | F15 F16 T19 M57 Y64 V65 | F15-L61 HydrophobicContact CE1-CD2 3.89Å; F15-L61 HydrophobicContact CZ-CD2 4.04Å; F16-L61 HydrophobicContact CE1-CD2 4.33Å; T19-L61 HydrophobicContact CG2-CD1 4.12Å; T19-L61 HydrophobicContact CG2-CD2 4.11Å; T19-L61 HydrophobicContact CG2-CG 4.42Å; M57-L61 WeakPolarHBondContact O-CB 3.47Å; M57-L61 PolarHBondContact O-N 3.3Å; L61-Y64 WeakPolarHBondContact O-CB 3.48Å; L61-Y64 PolarHBondContact O-N 3.2Å; L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.23Å |
| 62 | G | 96.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 40 Ų | 40 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L58 Y64 V65 M66 P256 | L58-G62 VanDerWaalsContact O-CA 3.29Å; L58-G62 WeakPolarHBondContact O-CA 3.48Å; L58-G62 PolarHBondContact O-N 3.02Å; G62-Y64 PolarHBondContact O-N 2.7Å; G62-V65 PolarHBondContact O-N 3.38Å; G62-M66 WeakPolarHBondContact O-CG 3.47Å; G62-M66 PolarHBondContact O-N 3.03Å; G62-P256 VanDerWaalsContact C-CB 3.45Å |
| 63 | N | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -35.6 | 177.6 | -77 | -72.5 | 0 | 0 | 0 | 112.3 | N59 V65 M66 T67 M134 F135 | N59-N63 VanDerWaalsContact O-CB 3.28Å; N59-N63 WeakPolarHBondContact O-CB 3.41Å; N59-N63 PolarHBondContact O-N 2.94Å; N59-N63 PolarHBondContact O-ND2 3.3Å; N63-V65 PolarHBondContact O-N 3.48Å; N63-M66 PolarHBondContact O-N 2.95Å; N63-T67 PolarHBondContact O-N 3.44Å; N63-T67 PolarHBondContact O-OG1 3.39Å; N63-M134 HydrophobicContact CB-CB 3.98Å; N63-M134 WeakPolarHBondContact OD1-CB 3.29Å; N63-F135 HydrophobicContact CB-CB 4Å |
| 64 | Y | 96.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.7 | -49 | 170.7 | 178.9 | -84.2 | 0 | 0 | 0 | 111.7 | F15 F16 A60 L61 G62 M66 T67 I68 F119 T120 F135 | F15-Y64 HydrophobicContact CD1-CD2 4.01Å; F15-Y64 AromaticContact CD1-CE2 3.74Å; F15-Y64 HydrophobicContact CD1-CE2 3.74Å; F15-Y64 HydrophobicContact CE1-CD1 4.33Å; F15-Y64 AromaticContact CE1-CD2 3.61Å; F15-Y64 HydrophobicContact CE1-CD2 3.61Å; F15-Y64 AromaticContact CE1-CE2 3.84Å; F15-Y64 HydrophobicContact CE1-CE2 3.84Å; F15-Y64 AromaticContact CE1-CG 3.88Å; F15-Y64 HydrophobicContact CE1-CG 3.88Å; F15-Y64 HydrophobicContact CG-CE2 4.47Å; F15-Y64 HydrophobicContact CZ-CD2 4.13Å; F15-Y64 HydrophobicContact CZ-CG 4.47Å; F16-Y64 HydrophobicContact CE1-CE1 4.4Å; F16-Y64 AromaticContact CE2-CE1 3.91Å; F16-Y64 HydrophobicContact CE2-CE1 3.91Å; F16-Y64 HydrophobicContact CZ-CD1 4.08Å; F16-Y64 AromaticContact CZ-CE1 3.46Å; F16-Y64 HydrophobicContact CZ-CE1 3.46Å; F16-Y64 VanDerWaalsContact CZ-CE1 3.46Å; A60-Y64 WeakPolarHBondContact O-CB 3.15Å; A60-Y64 PolarHBondContact O-N 3.45Å; L61-Y64 WeakPolarHBondContact O-CB 3.48Å; L61-Y64 PolarHBondContact O-N 3.2Å; G62-Y64 PolarHBondContact O-N 2.7Å; Y64-M66 PolarHBondContact O-N 3.27Å; Y64-T67 WeakPolarHBondContact O-CB 3.45Å; Y64-T67 PolarHBondContact O-N 3.39Å; Y64-I68 HydrophobicContact CD1-CD1 3.9Å; Y64-I68 HydrophobicContact CE1-CD1 3.3Å; Y64-I68 HydrophobicContact CE1-CG1 4.5Å; Y64-I68 PolarHBondContact O-N 3.03Å; Y64-F119 VanDerWaalsContact CE2-O 3.23Å; Y64-F119 WeakPolarHBondContact CE2-O 3.34Å; Y64-F119 PolarHBondContact OH-O 2.98Å; Y64-T120 HydrophobicContact CD2-CG2 4.12Å; Y64-T120 HydrophobicContact CE2-CG2 3.92Å; Y64-F135 HydrophobicContact CD2-CD2 4.13Å; Y64-F135 HydrophobicContact CD2-CE1 4.35Å; Y64-F135 AromaticContact CD2-CE2 3.73Å; Y64-F135 HydrophobicContact CD2-CE2 3.73Å; Y64-F135 AromaticContact CD2-CZ 3.84Å; Y64-F135 HydrophobicContact CD2-CZ 3.84Å; Y64-F135 HydrophobicContact CE2-CZ 4.48Å; Y64-F135 HydrophobicContact CG-CE2 4.42Å |
| 65 | V | 95.5 | Very high | 90.6 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L61 G62 N63 T67 I68 K69 | L61-V65 WeakPolarHBondContact O-CG2 3.43Å; L61-V65 PolarHBondContact O-N 3.23Å; G62-V65 PolarHBondContact O-N 3.38Å; N63-V65 PolarHBondContact O-N 3.48Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.32Å; V65-I68 PolarHBondContact O-N 2.87Å; V65-I68 VanDerWaalsContact O-N 3.14Å; V65-K69 WeakPolarHBondContact O-CB 3.31Å; V65-K69 PolarHBondContact O-N 3.25Å |
| 66 | M | 93.8 | Very high | 88.6 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 178.4 | -65 | -70.4 | -79.6 | 0 | 0 | 111.9 | G62 N63 Y64 I68 K69 Y70 Y131 P256 Q258 | G62-M66 WeakPolarHBondContact O-CG 3.47Å; G62-M66 PolarHBondContact O-N 3.03Å; N63-M66 PolarHBondContact O-N 2.95Å; Y64-M66 PolarHBondContact O-N 3.27Å; M66-I68 PolarHBondContact O-N 2.91Å; M66-K69 PolarHBondContact O-N 3.21Å; M66-Y70 HydrophobicContact CE-CD2 4.07Å; M66-Y70 HydrophobicContact CE-CE2 3.4Å; M66-Y70 WeakPolarHBondContact O-CD2 3.37Å; M66-Y70 PolarHBondContact O-N 3.35Å; M66-Y70 VanDerWaalsContact O-N 3.09Å; M66-Y70 HydrophobicContact SD-CD2 4.3Å; M66-Y70 HydrophobicContact SD-CE2 3.69Å; M66-Y131 HydrophobicContact CB-CD1 3.51Å; M66-Y131 HydrophobicContact CB-CD2 3.98Å; M66-Y131 HydrophobicContact CB-CE1 3.89Å; M66-Y131 HydrophobicContact CB-CE2 4.37Å; M66-Y131 HydrophobicContact CB-CG 3.56Å; M66-Y131 HydrophobicContact CE-CD1 4.43Å; M66-Y131 HydrophobicContact CE-CE1 3.63Å; M66-Y131 HydrophobicContact CG-CD1 4.27Å; M66-Y131 HydrophobicContact CG-CE1 4.35Å; M66-P256 HydrophobicContact CG-CB 4.41Å; M66-Q258 HydrophobicContact CE-CB 4.34Å |
| 67 | T | 93.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -34.7 | 174 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | N63 Y64 V65 T120 I124 N128 Y131 F132 | N63-T67 PolarHBondContact O-N 3.44Å; N63-T67 PolarHBondContact O-OG1 3.39Å; Y64-T67 WeakPolarHBondContact O-CB 3.45Å; Y64-T67 PolarHBondContact O-N 3.39Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.32Å; T67-T120 HydrophobicContact CG2-CG2 3.97Å; T67-I124 HydrophobicContact CG2-CD1 3.41Å; T67-I124 VanDerWaalsContact CG2-CD1 3.41Å; T67-N128 HydrophobicContact CG2-CB 4.28Å; T67-N128 PolarHBondContact O-ND2 3.4Å; T67-Y131 VanDerWaalsContact OG1-C 3.24Å; T67-Y131 VanDerWaalsContact OG1-CB 3.27Å; T67-Y131 WeakPolarHBondContact OG1-CB 3.28Å; T67-F132 HydrophobicContact CG2-CB 4.31Å; T67-F132 PolarHBondContact OG1-N 2.92Å; T67-F132 VanDerWaalsContact OG1-N 3.17Å |
| 68 | I | 92.3 | Very high | 84.4 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 36% | 0.359 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -81.5 | -45.2 | 178.1 | -62.8 | 171.5 | 0 | 0 | 0 | 110.8 | Y64 V65 M66 Y70 | Y64-I68 HydrophobicContact CD1-CD1 3.9Å; Y64-I68 HydrophobicContact CE1-CD1 3.3Å; Y64-I68 HydrophobicContact CE1-CG1 4.5Å; Y64-I68 PolarHBondContact O-N 3.03Å; V65-I68 PolarHBondContact O-N 2.87Å; V65-I68 VanDerWaalsContact O-N 3.14Å; M66-I68 PolarHBondContact O-N 2.91Å; I68-Y70 VanDerWaalsContact C-N 3.28Å; I68-Y70 PolarHBondContact O-N 3.47Å |
| 69 | K | 90.4 | Very high | 82.2 | Confident | 140 Ų | 140 | 52 Ų | 52 | 61% | 0.609 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.2 | -31.5 | -175.6 | -173.9 | 177.1 | 177.7 | -178.4 | 0 | 113.1 | V65 M66 P71 | V65-K69 WeakPolarHBondContact O-CB 3.31Å; V65-K69 PolarHBondContact O-N 3.25Å; M66-K69 PolarHBondContact O-N 3.21Å; K69-P71 WeakPolarHBondContact O-CD 3.33Å |
| 70 | Y | 87.4 | Confident | 80 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 22% | 0.216 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -108.6 | 69.8 | 178.7 | -65.3 | -80.6 | 0 | 0 | 0 | 111.3 | M66 I68 N128 Y131 Q258 | M66-Y70 HydrophobicContact CE-CD2 4.07Å; M66-Y70 HydrophobicContact CE-CE2 3.4Å; M66-Y70 WeakPolarHBondContact O-CD2 3.37Å; M66-Y70 PolarHBondContact O-N 3.35Å; M66-Y70 VanDerWaalsContact O-N 3.09Å; M66-Y70 HydrophobicContact SD-CD2 4.3Å; M66-Y70 HydrophobicContact SD-CE2 3.69Å; I68-Y70 VanDerWaalsContact C-N 3.28Å; I68-Y70 PolarHBondContact O-N 3.47Å; Y70-N128 WeakPolarHBondContact O-CB 3.33Å; Y70-Y131 HydrophobicContact CD2-CD2 4.44Å; Y70-Y131 AromaticContact CD2-CE2 3.73Å; Y70-Y131 HydrophobicContact CD2-CE2 3.73Å; Y70-Y131 HydrophobicContact CG-CE2 4.05Å; Y70-Q258 PolarHBondContact OH-OE1 2.66Å; Y70-Q258 VanDerWaalsContact OH-OE1 3.13Å |
| 71 | P | 79.3 | Confident | 77.8 | Confident | 46 Ų | 46 | 63 Ų | 63 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -61.3 | 144.7 | -174.5 | 27.4 | -35.6 | 0 | 0 | 0 | 111.9 | K69 E73 | K69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-E73 PolarHBondContact O-N 2.9Å | ||
| 72 | A | 80.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | trans | -73 | 19.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I110 L111 | A72-I110 HydrophobicContact CB-CG2 3.69Å; A72-I110 WeakPolarHBondContact O-CA 3.13Å; A72-I110 WeakPolarHBondContact O-CG2 3.28Å; A72-L111 PolarHBondContact O-N 3.35Å; A72-L111 VanDerWaalsContact O-N 3.13Å | ||
| 73 | E | 81.6 | Confident | 73.2 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 138.3 | -179.9 | -175.3 | 166.8 | -156.5 | 0 | 0 | 111.6 | P71 K108 K127 | P71-E73 PolarHBondContact O-N 2.9Å; E73-K108 VanDerWaalsContact CD-CD 3.49Å; E73-K108 HydrophobicContact CG-CB 4.5Å; E73-K108 HydrophobicContact CG-CD 4.3Å; E73-K108 WeakPolarHBondContact OE1-CD 3.39Å; E73-K108 WeakPolarHBondContact OE1-CE 3.48Å; E73-K108 WeakPolarHBondContact OE1-CG 3.41Å; E73-K108 IonicContact OE1-NZ 2.71Å; E73-K108 WeakPolarHBondContact OE2-CD 3.43Å; E73-K108 WeakPolarHBondContact OE2-CE 3.49Å; E73-K108 IonicContact OE2-NZ 2.67Å; E73-K108 PolarHBondContact OE2-NZ 3.26Å; E73-K127 PolarHBondContact O-NZ 3.49Å; E73-K127 VanDerWaalsContact O-NZ 3.15Å |
| 74 | S | 68.8 | Low | 71 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.112 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 126.6 | 171.7 | -166.2 | 0 | 0 | 0 | 0 | 109.3 | E77 V109 | S74-E77 PolarHBondContact OG-OE1 2.91Å; S74-V109 PolarHBondContact N-O 2.89Å |
| 75 | A | 64.1 | Low | 68.9 | Low | 68 Ų | 68 | 74.8 Ų | 74.8 | 56% | 0.562 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 141.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 76 | N | 55.6 | Low | 66.8 | Low | 166 Ų | 166 | 78.4 Ų | 78.4 | 89% | 0.888 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 23.5 | 171.6 | -61 | -11 | 0 | 0 | 0 | 117.8 | ||
| 77 | E | 55.7 | Low | 64.9 | Low | 77 Ų | 77 | 79 Ų | 79 | 36% | 0.36 | 47% | 0.469 | S | S | . | . | trans | -107.8 | 90.3 | 174.2 | -89.6 | 175.8 | -138.4 | 0 | 0 | 111.6 | S74 V79 R100 V109 | S74-E77 PolarHBondContact OG-OE1 2.91Å; E77-V79 VanDerWaalsContact C-N 3.28Å; E77-V79 HydrophobicContact CB-CG2 3.97Å; E77-V79 HydrophobicContact CG-CG2 4.4Å; E77-V79 PolarHBondContact O-N 3.25Å; E77-R100 WeakPolarHBondContact OE1-CD 3.47Å; E77-R100 IonicContact OE1-CZ 3.53Å; E77-R100 IonicContact OE1-NE 3.44Å; E77-R100 PolarHBondContact OE1-NE 3.46Å; E77-V109 WeakPolarHBondContact OE2-CG1 3.45Å | ||
| 78 | T | 51.6 | Low | 63.1 | Low | 145 Ų | 145 | 82.2 Ų | 82.2 | 89% | 0.89 | 49% | 0.491 | S | S | * | . | trans | -72.1 | 84.8 | 161 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | V | 53.2 | Low | 61.1 | Low | 61 Ų | 61 | 84.6 Ų | 84.6 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | trans | -94 | 113.7 | 179.3 | 175 | 0 | 0 | 0 | 0 | 110.4 | E77 Y95 V109 | E77-V79 VanDerWaalsContact C-N 3.28Å; E77-V79 HydrophobicContact CB-CG2 3.97Å; E77-V79 HydrophobicContact CG-CG2 4.4Å; E77-V79 PolarHBondContact O-N 3.25Å; V79-Y95 HydrophobicContact CG1-CE1 3.81Å; V79-V109 HydrophobicContact CB-CG2 4.34Å; V79-V109 HydrophobicContact CG2-CG2 4.16Å | ||
| 80 | I | 51.2 | Low | 59 | Low | 152 Ų | 152 | 87.2 Ų | 87.2 | 78% | 0.779 | 52% | 0.516 | S | S | * | . | trans | -72.5 | 119.7 | 164 | -59.9 | 167.4 | 0 | 0 | 0 | 106.9 | A82 | I80-A82 PolarHBondContact O-N 3.31Š| ||
| 81 | P | 50.9 | Low | 57.1 | Low | 84 Ų | 84 | 89.3 Ų | 89.3 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | trans | -66.4 | 117.6 | 176.7 | 20.1 | -23 | 0 | 0 | 0 | 109.7 | C83 | P81-C83 PolarHBondContact O-N 2.92Š| ||
| 82 | A | 48.8 | Very low | 55.6 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 67% | 0.669 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -76.2 | -3.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I80 | I80-A82 PolarHBondContact O-N 3.31Š|
| 83 | C | 49.1 | Very low | 53.9 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 42% | 0.419 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -137.3 | 151.7 | 174.6 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | P81 | P81-C83 PolarHBondContact O-N 2.92Š|
| 84 | S | 51.2 | Low | 52.2 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 58% | 0.58 | 57% | 0.57 | S | S | * | * | trans | -63.9 | 158.6 | -177.7 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | D86 C87 | S84-D86 PolarHBondContact O-N 2.85Å; S84-C87 PolarHBondContact O-N 2.64Å | ||
| 85 | A | 52.5 | Low | 51.4 | Low | 98 Ų | 98 | 97.3 Ų | 97.3 | 81% | 0.81 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -8.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 86 | D | 51.7 | Low | 50.9 | Low | 155 Ų | 155 | 97.8 Ų | 97.8 | 83% | 0.829 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 5.2 | -177.6 | -99.8 | -10.8 | 0 | 0 | 0 | 114.3 | S84 S88 | S84-D86 PolarHBondContact O-N 2.85Å; D86-S88 PolarHBondContact O-N 3.19Å |
| 87 | C | 54.5 | Low | 50.8 | Low | 34 Ų | 34 | 96.1 Ų | 96.1 | 23% | 0.23 | 56% | 0.558 | C | S | . | * | trans | -62 | 137.1 | 177.5 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | S84 K104 | S84-C87 PolarHBondContact O-N 2.64Å; C87-K104 PolarHBondContact O-NZ 3.07Å | ||
| 88 | S | 54 | Low | 51.1 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | trans | -53.9 | 137.1 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 112.2 | D86 K90 I91 | D86-S88 PolarHBondContact O-N 3.19Å; S88-K90 PolarHBondContact O-N 3.46Å; S88-K90 PolarHBondContact OG-N 2.84Å; S88-I91 PolarHBondContact O-N 3.29Å | ||
| 89 | D | 50.8 | Low | 51.9 | Low | 121 Ų | 121 | 93.1 Ų | 93.1 | 65% | 0.647 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -15.7 | 176.3 | -72.8 | -22 | 0 | 0 | 0 | 113.6 | I91 K104 | D89-I91 VanDerWaalsContact C-N 3.32Å; D89-K104 IonicContact OD1-NZ 3.67Å; D89-K104 PolarHBondContact OD1-NZ 2.9Å |
| 90 | K | 46.5 | Very low | 53 | Low | 195 Ų | 195 | 93.6 Ų | 93.6 | 85% | 0.848 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.5 | 173.8 | -70.1 | -176.5 | 177.2 | -178.8 | 0 | 112.9 | S88 D92 | S88-K90 PolarHBondContact O-N 3.46Å; S88-K90 PolarHBondContact OG-N 2.84Å; K90-D92 PolarHBondContact O-N 3.39Å; K90-D92 VanDerWaalsContact O-N 3.11Å |
| 91 | I | 47.7 | Very low | 54.2 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | trans | -90.6 | 61.7 | 174 | -50.1 | 178 | 0 | 0 | 0 | 107.7 | S88 D89 A93 | S88-I91 PolarHBondContact O-N 3.29Å; D89-I91 VanDerWaalsContact C-N 3.32Å; I91-A93 HydrophobicContact CG2-CB 4.08Å; I91-A93 PolarHBondContact O-N 2.92Å | ||
| 92 | D | 48.5 | Very low | 55.5 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -78.9 | 16.9 | 166.8 | -112.3 | -10.5 | 0 | 0 | 0 | 110.9 | K90 H94 R227 | K90-D92 PolarHBondContact O-N 3.39Å; K90-D92 VanDerWaalsContact O-N 3.11Å; D92-H94 PolarHBondContact O-N 2.96Å; D92-R227 VanDerWaalsContact CB-NH2 3.26Å; D92-R227 IonicContact OD1-NH2 2.66Å; D92-R227 IonicContact OD2-CZ 3.74Å; D92-R227 IonicContact OD2-NE 3.76Å; D92-R227 IonicContact OD2-NH2 3.95Å; D92-R227 PolarHBondContact OD2-NH2 2.99Å |
| 93 | A | 43.6 | Very low | 57.1 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -73.7 | -13.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I91 Y95 | I91-A93 HydrophobicContact CG2-CB 4.08Å; I91-A93 PolarHBondContact O-N 2.92Å; A93-Y95 PolarHBondContact O-N 3.35Å |
| 94 | H | 46.6 | Very low | 58.7 | Low | 87 Ų | 87 | 82 Ų | 82 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -89 | -2.2 | -157.7 | -149.9 | -71 | 0 | 0 | 0 | 115.9 | D92 | D92-H94 PolarHBondContact O-N 2.96Š|
| 95 | Y | 51.3 | Low | 60.3 | Low | 56 Ų | 56 | 79.7 Ų | 79.7 | 22% | 0.22 | 43% | 0.434 | C | S | . | . | trans | -147.2 | 13.4 | -173 | -63.4 | -73.7 | 0 | 0 | 0 | 116.4 | V79 A93 L97 R100 F102 | V79-Y95 HydrophobicContact CG1-CE1 3.81Å; A93-Y95 PolarHBondContact O-N 3.35Å; Y95-L97 PolarHBondContact O-N 2.89Å; Y95-R100 CarbonylContact C-O 3.58Å; Y95-R100 CarbonylContact O-C 3.28Å; Y95-F102 HydrophobicContact CD1-CB 4.45Å; Y95-F102 HydrophobicContact CD2-CB 3.38Å; Y95-F102 HydrophobicContact CD2-CG 4.41Å; Y95-F102 HydrophobicContact CE2-CB 3.52Å; Y95-F102 HydrophobicContact CE2-CG 4.09Å; Y95-F102 HydrophobicContact CG-CB 3.88Å | ||
| 96 | L | 53.3 | Low | 61.8 | Low | 79 Ų | 79 | 76.3 Ų | 76.3 | 41% | 0.414 | 40% | 0.404 | S | S | . | . | trans | -75 | 45.6 | -179.6 | -84.6 | 167.4 | 0 | 0 | 0 | 113.5 | ||||
| 97 | L | 53.4 | Low | 63.2 | Low | 131 Ų | 131 | 75.7 Ų | 75.7 | 69% | 0.686 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -91.7 | 111.4 | 164.5 | -113.5 | 89.6 | 0 | 0 | 0 | 109.1 | Y95 G99 R100 | Y95-L97 PolarHBondContact O-N 2.89Å; L97-G99 PolarHBondContact O-N 3.39Å; L97-R100 PolarHBondContact O-N 3.21Å |
| 98 | N | 63.5 | Low | 64.5 | Low | 135 Ų | 135 | 77.7 Ų | 77.7 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 46.2 | 166.8 | -57.1 | -27.7 | 0 | 0 | 0 | 114.5 | R100 | N98-R100 PolarHBondContact O-N 3.23Å; N98-R100 PolarHBondContact O-NH1 2.69Å |
| 99 | G | 67.4 | Low | 65.8 | Low | 23 Ų | 23 | 75.1 Ų | 75.1 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L97 R112 | L97-G99 PolarHBondContact O-N 3.39Å; G99-R112 WeakPolarHBondContact O-CA 3.44Å; G99-R112 PolarHBondContact O-N 2.9Å |
| 100 | R | 75.6 | Confident | 67.4 | Low | 71 Ų | 71 | 69.4 Ų | 69.4 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 149.5 | 174.8 | -67.6 | 169.7 | 178.1 | 71.8 | -1.9 | 111.3 | E77 Y95 L97 N98 V109 I110 L111 | E77-R100 WeakPolarHBondContact OE1-CD 3.47Å; E77-R100 IonicContact OE1-CZ 3.53Å; E77-R100 IonicContact OE1-NE 3.44Å; E77-R100 PolarHBondContact OE1-NE 3.46Å; Y95-R100 CarbonylContact C-O 3.58Å; Y95-R100 CarbonylContact O-C 3.28Å; L97-R100 PolarHBondContact O-N 3.21Å; N98-R100 PolarHBondContact O-N 3.23Å; N98-R100 PolarHBondContact O-NH1 2.69Å; R100-V109 HydrophobicContact CB-CG1 3.87Å; R100-V109 HydrophobicContact CG-CG1 4.38Å; R100-I110 CarbonylContact C-O 3.43Å; R100-I110 WeakPolarHBondContact CA-O 3.16Å; R100-L111 HydrophobicContact CG-CD1 3.77Å |
| 101 | H | 77.4 | Confident | 69.1 | Low | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 130.6 | 178.2 | -64.5 | -94.1 | 0 | 0 | 0 | 111.6 | I110 R113 | H101-I110 PolarHBondContact N-O 3.13Å; H101-I110 PolarHBondContact O-N 3.43Å; H101-R113 HydrophobicContact CB-CB 3.71Å; H101-R113 VanDerWaalsContact CB-CD 3.49Å; H101-R113 HydrophobicContact CB-CG 4.25Å |
| 102 | F | 79.1 | Confident | 70.8 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 25% | 0.254 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.6 | 170.9 | -174.2 | -101.5 | 0 | 0 | 0 | 111.1 | Y95 K104 K107 V109 R113 | Y95-F102 HydrophobicContact CD1-CB 4.45Å; Y95-F102 HydrophobicContact CD2-CB 3.38Å; Y95-F102 HydrophobicContact CD2-CG 4.41Å; Y95-F102 HydrophobicContact CE2-CB 3.52Å; Y95-F102 HydrophobicContact CE2-CG 4.09Å; Y95-F102 HydrophobicContact CG-CB 3.88Å; F102-K104 HydrophobicContact CD1-CG 4.34Å; F102-K104 HydrophobicContact CE1-CG 4.25Å; F102-K107 HydrophobicContact CZ-CB 4.45Å; F102-V109 HydrophobicContact CD2-CG2 4.07Å; F102-R113 PolarHBondContact O-NH1 3.48Å |
| 103 | C | 82.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.1 | 172.3 | 178 | 0 | 0 | 0 | 0 | 110.1 | L105 C106 K107 K108 I110 C123 | C103-L105 PolarHBondContact O-N 2.85Å; C103-L105 PolarHBondContact SG-N 2.69Å; C103-C106 HydrophobicContact CB-CB 4.09Å; C103-C106 PolarHBondContact O-N 3.41Å; C103-C106 PolarHBondContact SG-N 2.8Å; C103-C106 VanDerWaalsContact SG-N 3.44Å; C103-K107 VanDerWaalsContact O-CA 3.25Å; C103-K107 WeakPolarHBondContact O-CA 3.18Å; C103-K107 PolarHBondContact O-N 2.67Å; C103-K108 PolarHBondContact N-O 3.3Å; C103-K108 PolarHBondContact O-N 3.5Å; C103-I110 HydrophobicContact CB-CG1 4.15Å; C103-C123 VanDerWaalsContact CB-SG 3.54Å; C103-C123 PolarHBondContact SG-SG 3Å |
| 104 | K | 81.1 | Confident | 74.8 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.6 | 177.3 | -62.5 | -179.2 | -176.7 | 175.1 | 0 | 113.9 | M1 C87 D89 F102 | M1-K104 HydrophobicContact CE-CB 4.33Å; C87-K104 PolarHBondContact O-NZ 3.07Å; D89-K104 IonicContact OD1-NZ 3.67Å; D89-K104 PolarHBondContact OD1-NZ 2.9Å; F102-K104 HydrophobicContact CD1-CG 4.34Å; F102-K104 HydrophobicContact CE1-CG 4.25Å |
| 105 | L | 84.5 | Confident | 76.9 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -47.7 | 178.5 | -65.1 | 173.2 | 0 | 0 | 0 | 111.5 | L4 C103 K107 H116 F118 | L4-L105 HydrophobicContact CB-CD2 3.6Å; L4-L105 HydrophobicContact CD1-CD2 4.24Å; C103-L105 PolarHBondContact O-N 2.85Å; C103-L105 PolarHBondContact SG-N 2.69Å; L105-K107 VanDerWaalsContact C-N 3.34Å; L105-H116 HydrophobicContact CD1-CB 4.2Å; L105-F118 HydrophobicContact CD1-CE1 3.8Å; L105-F118 HydrophobicContact CD1-CZ 3.84Å |
| 106 | C | 84.3 | Confident | 78.8 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.1 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | C103 K108 H116 C123 | C103-C106 HydrophobicContact CB-CB 4.09Å; C103-C106 PolarHBondContact O-N 3.41Å; C103-C106 PolarHBondContact SG-N 2.8Å; C103-C106 VanDerWaalsContact SG-N 3.44Å; C106-K108 VanDerWaalsContact C-N 3.28Å; C106-K108 HydrophobicContact CB-CB 4.21Å; C106-K108 HydrophobicContact CB-CD 4.44Å; C106-K108 HydrophobicContact CB-CG 4.48Å; C106-K108 WeakPolarHBondContact O-CG 3.34Å; C106-K108 PolarHBondContact O-N 2.85Å; C106-H116 PolarHBondContact SG-CE1 2.85Å; C106-H116 PolarHBondContact SG-ND1 2.78Å; C106-C123 PolarHBondContact SG-SG 3.07Å |
| 107 | K | 81.6 | Confident | 80.8 | Confident | 141 Ų | 141 | 50.8 Ų | 50.8 | 61% | 0.613 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 40.1 | -168.8 | -56.4 | -176.9 | 179.7 | -179.3 | 0 | 113.2 | F102 C103 L105 | F102-K107 HydrophobicContact CZ-CB 4.45Å; C103-K107 VanDerWaalsContact O-CA 3.25Å; C103-K107 WeakPolarHBondContact O-CA 3.18Å; C103-K107 PolarHBondContact O-N 2.67Å; L105-K107 VanDerWaalsContact C-N 3.34Å |
| 108 | K | 80.9 | Confident | 82.7 | Confident | 77 Ų | 77 | 47 Ų | 47 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.6 | -174 | -70 | 173.1 | 171.4 | -155.7 | 0 | 111 | E73 C103 C106 I110 | E73-K108 VanDerWaalsContact CD-CD 3.49Å; E73-K108 HydrophobicContact CG-CB 4.5Å; E73-K108 HydrophobicContact CG-CD 4.3Å; E73-K108 WeakPolarHBondContact OE1-CD 3.39Å; E73-K108 WeakPolarHBondContact OE1-CE 3.48Å; E73-K108 WeakPolarHBondContact OE1-CG 3.41Å; E73-K108 IonicContact OE1-NZ 2.71Å; E73-K108 WeakPolarHBondContact OE2-CD 3.43Å; E73-K108 WeakPolarHBondContact OE2-CE 3.49Å; E73-K108 IonicContact OE2-NZ 2.67Å; E73-K108 PolarHBondContact OE2-NZ 3.26Å; C103-K108 PolarHBondContact N-O 3.3Å; C103-K108 PolarHBondContact O-N 3.5Å; C106-K108 VanDerWaalsContact C-N 3.28Å; C106-K108 HydrophobicContact CB-CB 4.21Å; C106-K108 HydrophobicContact CB-CD 4.44Å; C106-K108 HydrophobicContact CB-CG 4.48Å; C106-K108 WeakPolarHBondContact O-CG 3.34Å; C106-K108 PolarHBondContact O-N 2.85Å; K108-I110 HydrophobicContact CB-CD1 4.06Å |
| 109 | V | 81.7 | Confident | 84.2 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.4 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | S74 E77 V79 R100 F102 | S74-V109 PolarHBondContact N-O 2.89Å; E77-V109 WeakPolarHBondContact OE2-CG1 3.45Å; V79-V109 HydrophobicContact CB-CG2 4.34Å; V79-V109 HydrophobicContact CG2-CG2 4.16Å; R100-V109 HydrophobicContact CB-CG1 3.87Å; R100-V109 HydrophobicContact CG-CG1 4.38Å; F102-V109 HydrophobicContact CD2-CG2 4.07Å |
| 110 | I | 84.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.4 | -174 | -52.7 | -57.9 | 0 | 0 | 0 | 109 | A72 R100 H101 C103 K108 R113 C123 | A72-I110 HydrophobicContact CB-CG2 3.69Å; A72-I110 WeakPolarHBondContact O-CA 3.13Å; A72-I110 WeakPolarHBondContact O-CG2 3.28Å; R100-I110 CarbonylContact C-O 3.43Å; R100-I110 WeakPolarHBondContact CA-O 3.16Å; H101-I110 PolarHBondContact N-O 3.13Å; H101-I110 PolarHBondContact O-N 3.43Å; C103-I110 HydrophobicContact CB-CG1 4.15Å; K108-I110 HydrophobicContact CB-CD1 4.06Å; I110-R113 HydrophobicContact CB-CB 3.87Å; I110-R113 HydrophobicContact CB-CG 4.05Å; I110-R113 HydrophobicContact CG2-CB 3.69Å; I110-R113 HydrophobicContact CG2-CG 3.9Å; I110-C123 HydrophobicContact CD1-CB 3.78Å; I110-C123 HydrophobicContact CG1-CB 3.76Å; I110-C123 HydrophobicContact CG2-CB 4.04Å |
| 111 | L | 82.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.7 | 177.2 | -177.7 | 67.1 | 0 | 0 | 0 | 110.7 | A72 R100 R113 N126 | A72-L111 PolarHBondContact O-N 3.35Å; A72-L111 VanDerWaalsContact O-N 3.13Å; R100-L111 HydrophobicContact CG-CD1 3.77Å; L111-R113 PolarHBondContact O-N 3.4Å; L111-N126 PolarHBondContact O-N 3.46Å |
| 112 | R | 82.5 | Confident | 86.8 | Confident | 119 Ų | 119 | 42.7 Ų | 42.7 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.1 | 53 | -171.9 | -66.5 | -179.9 | 168.1 | 174.4 | -6.6 | 111 | G99 D114 G125 N126 T221 D243 | G99-R112 WeakPolarHBondContact O-CA 3.44Å; G99-R112 PolarHBondContact O-N 2.9Å; R112-D114 PolarHBondContact O-N 3.29Å; R112-G125 VanDerWaalsContact O-CA 3.3Å; R112-G125 WeakPolarHBondContact O-CA 3.27Å; R112-N126 HydrophobicContact CB-CB 4.19Å; R112-N126 WeakPolarHBondContact CD-OD1 3.49Å; R112-N126 PolarHBondContact NH1-OD1 3.26Å; R112-N126 VanDerWaalsContact NH1-OD1 3.09Å; R112-T221 HydrophobicContact CB-CG2 4.41Å; R112-D243 IonicContact CZ-OD2 3.74Å; R112-D243 IonicContact NH1-OD2 2.72Å; R112-D243 PolarHBondContact NH1-OD2 3.37Å; R112-D243 IonicContact NH2-OD2 2.76Å |
| 113 | R | 86.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | trans | -59.3 | 124.6 | -177.3 | -176.6 | -176.8 | 167.2 | -146.2 | -8.4 | 110.1 | H101 F102 I110 L111 | H101-R113 HydrophobicContact CB-CB 3.71Å; H101-R113 VanDerWaalsContact CB-CD 3.49Å; H101-R113 HydrophobicContact CB-CG 4.25Å; F102-R113 PolarHBondContact O-NH1 3.48Å; I110-R113 HydrophobicContact CB-CB 3.87Å; I110-R113 HydrophobicContact CB-CG 4.05Å; I110-R113 HydrophobicContact CG2-CB 3.69Å; I110-R113 HydrophobicContact CG2-CG 3.9Å; L111-R113 PolarHBondContact O-N 3.4Å | ||
| 114 | D | 90 | Very high | 88 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -91.4 | -65.9 | 172.8 | -165.9 | 74.1 | 0 | 0 | 0 | 110.3 | R112 I124 M129 Q212 Y222 C223 | R112-D114 PolarHBondContact O-N 3.29Å; D114-I124 PolarHBondContact N-O 3.26Å; D114-M129 HydrophobicContact CB-CE 3.51Å; D114-Q212 PolarHBondContact OD1-OE1 2.93Å; D114-Q212 PolarHBondContact OD2-NE2 3.41Å; D114-Q212 PolarHBondContact OD2-OE1 3.29Å; D114-Y222 VanDerWaalsContact OD1-CB 3.29Å; D114-Y222 WeakPolarHBondContact OD1-CB 3.43Å; D114-Y222 PolarHBondContact OD1-N 3.36Å; D114-Y222 WeakPolarHBondContact OD2-CB 3.48Å; D114-C223 PolarHBondContact O-N 2.82Å | ||
| 115 | H | 90.9 | Very high | 88.4 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 170.3 | 178.5 | 65.6 | -80.8 | 0 | 0 | 0 | 111.9 | C123 I124 F132 Y222 | H115-C123 WeakPolarHBondContact O-CA 3.45Å; H115-I124 PolarHBondContact O-N 3.15Å; H115-F132 AromaticContact CE1-CE1 3.75Å; H115-F132 AromaticContact CE1-CZ 3.74Å; H115-F132 AromaticContact NE2-CZ 3.71Å; H115-Y222 HydrophobicContact CB-CD1 4.3Å |
| 116 | H | 91.8 | Very high | 88.4 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 9% | 0.088 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.4 | 165.2 | -176.4 | 93.1 | 0 | 0 | 0 | 108.1 | N8 L105 C106 F118 | N8-H116 PolarHBondContact OD1-NE2 3Å; L105-H116 HydrophobicContact CD1-CB 4.2Å; C106-H116 PolarHBondContact SG-CE1 2.85Å; C106-H116 PolarHBondContact SG-ND1 2.78Å; H116-F118 AromaticContact CD2-CE1 3.98Å |
| 117 | C | 94.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.1 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | F119 T120 G121 N122 I124 F132 | C117-F119 VanDerWaalsContact C-N 3.31Å; C117-F119 PolarHBondContact O-N 2.87Å; C117-T120 WeakPolarHBondContact CB-OG1 3.48Å; C117-T120 PolarHBondContact O-OG1 3.45Å; C117-G121 PolarHBondContact O-N 3.1Å; C117-N122 PolarHBondContact N-O 3.2Å; C117-N122 PolarHBondContact O-N 3.21Å; C117-I124 HydrophobicContact CB-CD1 4.09Å; C117-I124 HydrophobicContact CB-CG1 3.84Å; C117-F132 HydrophobicContact CB-CE2 4.5Å |
| 118 | F | 94.7 | Very high | 89 | Confident | 51 Ų | 51 | 33.1 Ų | 33.1 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -33.1 | 177.9 | -66.6 | -77.8 | 0 | 0 | 0 | 112.3 | L4 L7 N8 A11 P12 L105 H116 T120 G121 | L4-F118 HydrophobicContact CB-CE1 4.41Å; L4-F118 HydrophobicContact CD2-CE1 4.31Å; L4-F118 HydrophobicContact CD2-CZ 3.9Å; L4-F118 WeakPolarHBondContact O-CE1 3.29Å; L7-F118 HydrophobicContact CB-CD1 3.75Å; L7-F118 HydrophobicContact CB-CE1 4.15Å; L7-F118 HydrophobicContact CB-CG 4.36Å; L7-F118 HydrophobicContact CD2-CB 4.17Å; L7-F118 HydrophobicContact CD2-CD1 3.62Å; L7-F118 HydrophobicContact CD2-CD2 3.72Å; L7-F118 HydrophobicContact CD2-CE1 3.9Å; L7-F118 HydrophobicContact CD2-CE2 3.98Å; L7-F118 HydrophobicContact CD2-CG 3.54Å; L7-F118 HydrophobicContact CD2-CZ 4.08Å; L7-F118 HydrophobicContact CG-CB 3.92Å; L7-F118 HydrophobicContact CG-CD1 3.63Å; L7-F118 HydrophobicContact CG-CD2 4.38Å; L7-F118 HydrophobicContact CG-CE1 4.28Å; L7-F118 HydrophobicContact CG-CG 3.71Å; N8-F118 WeakPolarHBondContact OD1-CD1 3.41Å; A11-F118 HydrophobicContact CB-CB 4.08Å; P12-F118 WeakPolarHBondContact CD-O 3.45Å; L105-F118 HydrophobicContact CD1-CE1 3.8Å; L105-F118 HydrophobicContact CD1-CZ 3.84Å; H116-F118 AromaticContact CD2-CE1 3.98Å; F118-T120 VanDerWaalsContact C-N 3.32Å; F118-T120 PolarHBondContact O-N 3.18Å; F118-G121 PolarHBondContact O-N 3.39Å |
| 119 | F | 94.8 | Very high | 89.6 | Confident | 90 Ų | 90 | 30 Ų | 30 | 40% | 0.395 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.1 | -179.6 | -71.3 | -83.9 | 0 | 0 | 0 | 113.5 | A11 P12 Y14 Y64 C117 | A11-F119 HydrophobicContact CB-CD1 3.96Å; A11-F119 HydrophobicContact CB-CE1 4.23Å; A11-F119 HydrophobicContact CB-CG 4.21Å; P12-F119 WeakPolarHBondContact CG-O 3.25Å; Y14-F119 HydrophobicContact CD1-CE1 4.07Å; Y14-F119 HydrophobicContact CE1-CE1 4.46Å; Y64-F119 VanDerWaalsContact CE2-O 3.23Å; Y64-F119 WeakPolarHBondContact CE2-O 3.34Å; Y64-F119 PolarHBondContact OH-O 2.98Å; C117-F119 VanDerWaalsContact C-N 3.31Å; C117-F119 PolarHBondContact O-N 2.87Å |
| 120 | T | 93.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.5 | 173.3 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | Y64 T67 C117 F118 N122 | Y64-T120 HydrophobicContact CD2-CG2 4.12Å; Y64-T120 HydrophobicContact CE2-CG2 3.92Å; T67-T120 HydrophobicContact CG2-CG2 3.97Å; C117-T120 WeakPolarHBondContact CB-OG1 3.48Å; C117-T120 PolarHBondContact O-OG1 3.45Å; F118-T120 VanDerWaalsContact C-N 3.32Å; F118-T120 PolarHBondContact O-N 3.18Å; T120-N122 PolarHBondContact O-N 3.45Å; T120-N122 VanDerWaalsContact O-N 3.15Å; T120-N122 PolarHBondContact OG1-N 3Å |
| 121 | G | 91.2 | Very high | 90.7 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 14.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C117 F118 | C117-G121 PolarHBondContact O-N 3.1Å; F118-G121 PolarHBondContact O-N 3.39Å |
| 122 | N | 91.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 12% | 0.118 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.5 | -171.4 | -165.4 | 17 | 0 | 0 | 0 | 112.3 | C117 T120 | C117-N122 PolarHBondContact N-O 3.2Å; C117-N122 PolarHBondContact O-N 3.21Å; T120-N122 PolarHBondContact O-N 3.45Å; T120-N122 VanDerWaalsContact O-N 3.15Å; T120-N122 PolarHBondContact OG1-N 3Å |
| 123 | C | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140.9 | 170.8 | -81.9 | 0 | 0 | 0 | 0 | 112.1 | C103 C106 I110 H115 N128 | C103-C123 VanDerWaalsContact CB-SG 3.54Å; C103-C123 PolarHBondContact SG-SG 3Å; C106-C123 PolarHBondContact SG-SG 3.07Å; I110-C123 HydrophobicContact CD1-CB 3.78Å; I110-C123 HydrophobicContact CG1-CB 3.76Å; I110-C123 HydrophobicContact CG2-CB 4.04Å; H115-C123 WeakPolarHBondContact O-CA 3.45Å; C123-N128 PolarHBondContact O-ND2 3.2Å |
| 124 | I | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133.7 | 169.6 | -48.7 | -54.2 | 0 | 0 | 0 | 108.5 | T67 D114 H115 C117 N128 M129 F132 | T67-I124 HydrophobicContact CG2-CD1 3.41Å; T67-I124 VanDerWaalsContact CG2-CD1 3.41Å; D114-I124 PolarHBondContact N-O 3.26Å; H115-I124 PolarHBondContact O-N 3.15Å; C117-I124 HydrophobicContact CB-CD1 4.09Å; C117-I124 HydrophobicContact CB-CG1 3.84Å; I124-N128 WeakPolarHBondContact CA-OD1 3.31Å; I124-M129 HydrophobicContact CG2-CE 3.93Å; I124-M129 HydrophobicContact CG2-SD 3.94Å; I124-F132 HydrophobicContact CD1-CB 4.13Å; I124-F132 HydrophobicContact CD1-CD2 3.73Å; I124-F132 HydrophobicContact CD1-CE2 4.44Å; I124-F132 HydrophobicContact CD1-CG 4.05Å; I124-F132 HydrophobicContact CG1-CD2 3.93Å; I124-F132 HydrophobicContact CG1-CE2 4.31Å; I124-F132 HydrophobicContact CG1-CG 4.1Å; I124-F132 HydrophobicContact CG2-CB 3.96Å; I124-F132 HydrophobicContact CG2-CD1 4.19Å; I124-F132 HydrophobicContact CG2-CG 4.02Å |
| 125 | G | 90.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -166.5 | -156.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | R112 K127 N128 M129 | R112-G125 VanDerWaalsContact O-CA 3.3Å; R112-G125 WeakPolarHBondContact O-CA 3.27Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.61Å; G125-N128 PolarHBondContact N-OD1 3.38Å; G125-N128 PolarHBondContact O-N 2.84Å; G125-N128 PolarHBondContact O-OD1 2.88Å; G125-N128 VanDerWaalsContact O-OD1 3.13Å; G125-M129 WeakPolarHBondContact O-CB 3.33Å; G125-M129 PolarHBondContact O-N 3.4Å |
| 126 | N | 84.1 | Confident | 93.1 | Very high | 47 Ų | 47 | 19 Ų | 19 | 25% | 0.251 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -45.6 | -166.5 | -156.7 | 60.8 | 0 | 0 | 0 | 114.2 | L111 R112 N128 | L111-N126 PolarHBondContact O-N 3.46Å; R112-N126 HydrophobicContact CB-CB 4.19Å; R112-N126 WeakPolarHBondContact CD-OD1 3.49Å; R112-N126 PolarHBondContact NH1-OD1 3.26Å; R112-N126 VanDerWaalsContact NH1-OD1 3.09Å; N126-N128 PolarHBondContact O-N 3.43Å |
| 127 | K | 86.4 | Confident | 93.4 | Very high | 80 Ų | 80 | 21 Ų | 21 | 35% | 0.348 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20 | -171.1 | -65 | 179.9 | 178.6 | 169.5 | 0 | 114.7 | E73 G125 | E73-K127 PolarHBondContact O-NZ 3.49Å; E73-K127 VanDerWaalsContact O-NZ 3.15Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.61Å |
| 128 | N | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 3.5 | -176.5 | 59.5 | 3.9 | 0 | 0 | 0 | 115.1 | T67 Y70 C123 I124 G125 N126 R130 Y131 F132 | T67-N128 HydrophobicContact CG2-CB 4.28Å; T67-N128 PolarHBondContact O-ND2 3.4Å; Y70-N128 WeakPolarHBondContact O-CB 3.33Å; C123-N128 PolarHBondContact O-ND2 3.2Å; I124-N128 WeakPolarHBondContact CA-OD1 3.31Å; G125-N128 PolarHBondContact N-OD1 3.38Å; G125-N128 PolarHBondContact O-N 2.84Å; G125-N128 PolarHBondContact O-OD1 2.88Å; G125-N128 VanDerWaalsContact O-OD1 3.13Å; N126-N128 PolarHBondContact O-N 3.43Å; N128-R130 VanDerWaalsContact C-N 3.34Å; N128-R130 PolarHBondContact O-N 3.33Å; N128-Y131 HydrophobicContact CB-CD2 4.25Å; N128-Y131 PolarHBondContact O-N 3.16Å; N128-F132 PolarHBondContact O-N 3.17Å |
| 129 | M | 93.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.059 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 179 | -178.2 | 58.8 | 80.7 | 0 | 0 | 112.1 | D114 I124 G125 Y131 F132 I133 V216 V244 | D114-M129 HydrophobicContact CB-CE 3.51Å; I124-M129 HydrophobicContact CG2-CE 3.93Å; I124-M129 HydrophobicContact CG2-SD 3.94Å; G125-M129 WeakPolarHBondContact O-CB 3.33Å; G125-M129 PolarHBondContact O-N 3.4Å; M129-Y131 PolarHBondContact O-N 3.05Å; M129-F132 WeakPolarHBondContact O-CB 3.4Å; M129-F132 PolarHBondContact O-N 3.14Å; M129-F132 HydrophobicContact SD-CD1 4.45Å; M129-I133 HydrophobicContact CG-CD1 4.02Å; M129-I133 WeakPolarHBondContact O-CG1 3.27Å; M129-I133 PolarHBondContact O-N 3.44Å; M129-I133 HydrophobicContact SD-CD1 4.21Å; M129-I133 HydrophobicContact SD-CG1 4.27Å; M129-V216 HydrophobicContact CG-CG2 4.03Å; M129-V244 HydrophobicContact CB-CG1 3.95Å; M129-V244 HydrophobicContact CG-CG1 3.76Å; M129-V244 HydrophobicContact CG-CG2 4.45Å |
| 130 | R | 93 | Very high | 94 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.5 | -52 | 176.2 | 164.3 | 179.8 | 162 | -109.7 | -18.1 | 112.1 | N128 F132 I133 M134 V244 F245 G252 V257 T259 | N128-R130 VanDerWaalsContact C-N 3.34Å; N128-R130 PolarHBondContact O-N 3.33Å; R130-F132 PolarHBondContact O-N 3.09Å; R130-I133 PolarHBondContact O-N 3.28Å; R130-M134 WeakPolarHBondContact O-CG 3.33Å; R130-M134 PolarHBondContact O-N 3.14Å; R130-V244 HydrophobicContact CB-CG1 4.11Å; R130-V244 WeakPolarHBondContact CB-O 3.34Å; R130-F245 HydrophobicContact CG-CD1 4.11Å; R130-G252 PolarHBondContact NH2-O 2.67Å; R130-G252 VanDerWaalsContact NH2-O 3.09Å; R130-V257 VanDerWaalsContact CZ-O 3.24Å; R130-V257 PolarHBondContact NH1-O 3.23Å; R130-V257 PolarHBondContact NH2-O 2.98Å; R130-T259 VanDerWaalsContact CD-OG1 3.29Å; R130-T259 WeakPolarHBondContact CD-OG1 3.36Å; R130-T259 PolarHBondContact NE-OG1 3.24Å; R130-T259 VanDerWaalsContact NE-OG1 3.12Å; R130-T259 PolarHBondContact NH1-OG1 3.15Å |
| 131 | Y | 94.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | -178 | -54.2 | -58.6 | 0 | 0 | 0 | 110.9 | M66 T67 Y70 N128 M129 M134 F135 Q258 | M66-Y131 HydrophobicContact CB-CD1 3.51Å; M66-Y131 HydrophobicContact CB-CD2 3.98Å; M66-Y131 HydrophobicContact CB-CE1 3.89Å; M66-Y131 HydrophobicContact CB-CE2 4.37Å; M66-Y131 HydrophobicContact CB-CG 3.56Å; M66-Y131 HydrophobicContact CE-CD1 4.43Å; M66-Y131 HydrophobicContact CE-CE1 3.63Å; M66-Y131 HydrophobicContact CG-CD1 4.27Å; M66-Y131 HydrophobicContact CG-CE1 4.35Å; T67-Y131 VanDerWaalsContact OG1-C 3.24Å; T67-Y131 VanDerWaalsContact OG1-CB 3.27Å; T67-Y131 WeakPolarHBondContact OG1-CB 3.28Å; Y70-Y131 HydrophobicContact CD2-CD2 4.44Å; Y70-Y131 AromaticContact CD2-CE2 3.73Å; Y70-Y131 HydrophobicContact CD2-CE2 3.73Å; Y70-Y131 HydrophobicContact CG-CE2 4.05Å; N128-Y131 HydrophobicContact CB-CD2 4.25Å; N128-Y131 PolarHBondContact O-N 3.16Å; M129-Y131 PolarHBondContact O-N 3.05Å; Y131-M134 PolarHBondContact O-N 2.72Å; Y131-F135 VanDerWaalsContact O-CB 3.23Å; Y131-F135 WeakPolarHBondContact O-CB 3.48Å; Y131-F135 PolarHBondContact O-N 3.03Å; Y131-Q258 WeakPolarHBondContact OH-CA 3.37Å |
| 132 | F | 95.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 17.5 Ų | 17.5 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.3 | 178.8 | -101.1 | 0 | 0 | 0 | 112.2 | T67 H115 C117 I124 N128 M129 R130 M134 F135 C136 Q212 | T67-F132 HydrophobicContact CG2-CB 4.31Å; T67-F132 PolarHBondContact OG1-N 2.92Å; T67-F132 VanDerWaalsContact OG1-N 3.17Å; H115-F132 AromaticContact CE1-CE1 3.75Å; H115-F132 AromaticContact CE1-CZ 3.74Å; H115-F132 AromaticContact NE2-CZ 3.71Å; C117-F132 HydrophobicContact CB-CE2 4.5Å; I124-F132 HydrophobicContact CD1-CB 4.13Å; I124-F132 HydrophobicContact CD1-CD2 3.73Å; I124-F132 HydrophobicContact CD1-CE2 4.44Å; I124-F132 HydrophobicContact CD1-CG 4.05Å; I124-F132 HydrophobicContact CG1-CD2 3.93Å; I124-F132 HydrophobicContact CG1-CE2 4.31Å; I124-F132 HydrophobicContact CG1-CG 4.1Å; I124-F132 HydrophobicContact CG2-CB 3.96Å; I124-F132 HydrophobicContact CG2-CD1 4.19Å; I124-F132 HydrophobicContact CG2-CG 4.02Å; N128-F132 PolarHBondContact O-N 3.17Å; M129-F132 WeakPolarHBondContact O-CB 3.4Å; M129-F132 PolarHBondContact O-N 3.14Å; M129-F132 HydrophobicContact SD-CD1 4.45Å; R130-F132 PolarHBondContact O-N 3.09Å; F132-M134 PolarHBondContact O-N 3.34Å; F132-F135 HydrophobicContact CD2-CD1 4.21Å; F132-F135 HydrophobicContact CE2-CD1 4.38Å; F132-F135 WeakPolarHBondContact O-CB 3.43Å; F132-F135 PolarHBondContact O-N 3.44Å; F132-C136 PolarHBondContact O-N 2.88Å; F132-C136 PolarHBondContact O-SG 2.84Å; F132-C136 VanDerWaalsContact O-SG 3.4Å; F132-Q212 HydrophobicContact CD1-CG 4.48Å; F132-Q212 HydrophobicContact CE1-CG 4.03Å |
| 133 | I | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 176.5 | -67.3 | 168.8 | 0 | 0 | 0 | 110.5 | M129 R130 F135 C136 I137 Q212 V213 V216 F245 | M129-I133 HydrophobicContact CG-CD1 4.02Å; M129-I133 WeakPolarHBondContact O-CG1 3.27Å; M129-I133 PolarHBondContact O-N 3.44Å; M129-I133 HydrophobicContact SD-CD1 4.21Å; M129-I133 HydrophobicContact SD-CG1 4.27Å; R130-I133 PolarHBondContact O-N 3.28Å; I133-F135 PolarHBondContact O-N 3.31Å; I133-C136 WeakPolarHBondContact O-CB 3.45Å; I133-C136 PolarHBondContact O-N 2.89Å; I133-I137 HydrophobicContact CG2-CD1 3.91Å; I133-I137 HydrophobicContact CG2-CG1 4.47Å; I133-I137 WeakPolarHBondContact O-CG1 3.38Å; I133-I137 PolarHBondContact O-N 3.22Å; I133-Q212 HydrophobicContact CD1-CB 4.47Å; I133-Q212 HydrophobicContact CG1-CB 4.2Å; I133-V213 HydrophobicContact CD1-CG2 4.37Å; I133-V213 HydrophobicContact CG2-CG2 4.02Å; I133-V216 HydrophobicContact CD1-CG2 4.37Å; I133-F245 HydrophobicContact CB-CZ 4.34Å; I133-F245 HydrophobicContact CD1-CE2 4.06Å; I133-F245 HydrophobicContact CD1-CZ 3.85Å; I133-F245 HydrophobicContact CG2-CE1 4.43Å; I133-F245 HydrophobicContact CG2-CZ 3.97Å |
| 134 | M | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.5 | -67.5 | -55.7 | 168.6 | 0 | 0 | 112.5 | N63 R130 Y131 F132 C136 I137 Y138 F245 L253 | N63-M134 HydrophobicContact CB-CB 3.98Å; N63-M134 WeakPolarHBondContact OD1-CB 3.29Å; R130-M134 WeakPolarHBondContact O-CG 3.33Å; R130-M134 PolarHBondContact O-N 3.14Å; Y131-M134 PolarHBondContact O-N 2.72Å; F132-M134 PolarHBondContact O-N 3.34Å; M134-C136 VanDerWaalsContact C-N 3.3Å; M134-C136 PolarHBondContact O-N 3.33Å; M134-I137 PolarHBondContact O-N 3.35Å; M134-I137 HydrophobicContact SD-CD1 4.32Å; M134-Y138 HydrophobicContact CB-CD2 4.44Å; M134-Y138 WeakPolarHBondContact O-CB 3.45Å; M134-Y138 WeakPolarHBondContact O-CD2 3.26Å; M134-Y138 PolarHBondContact O-N 3.17Å; M134-F245 HydrophobicContact CE-CD1 3.6Å; M134-F245 HydrophobicContact CE-CE1 3.31Å; M134-L253 HydrophobicContact CE-CB 4.38Å; M134-L253 HydrophobicContact CE-CD2 3.24Å; M134-L253 HydrophobicContact CE-CG 3.89Å; M134-L253 HydrophobicContact SD-CD2 4.04Å |
| 135 | F | 97.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.044 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.3 | -46.9 | 173 | 160 | -116.3 | 0 | 0 | 0 | 110.9 | F15 N63 Y64 Y131 F132 I133 T139 | F15-F135 HydrophobicContact CD2-CZ 4.49Å; F15-F135 HydrophobicContact CE1-CE2 4.4Å; F15-F135 AromaticContact CE2-CE2 3.67Å; F15-F135 HydrophobicContact CE2-CE2 3.67Å; F15-F135 HydrophobicContact CE2-CZ 4.07Å; F15-F135 AromaticContact CZ-CE2 3.61Å; F15-F135 HydrophobicContact CZ-CE2 3.61Å; F15-F135 HydrophobicContact CZ-CZ 4.3Å; N63-F135 HydrophobicContact CB-CB 4Å; Y64-F135 HydrophobicContact CD2-CD2 4.13Å; Y64-F135 HydrophobicContact CD2-CE1 4.35Å; Y64-F135 AromaticContact CD2-CE2 3.73Å; Y64-F135 HydrophobicContact CD2-CE2 3.73Å; Y64-F135 AromaticContact CD2-CZ 3.84Å; Y64-F135 HydrophobicContact CD2-CZ 3.84Å; Y64-F135 HydrophobicContact CE2-CZ 4.48Å; Y64-F135 HydrophobicContact CG-CE2 4.42Å; Y131-F135 VanDerWaalsContact O-CB 3.23Å; Y131-F135 WeakPolarHBondContact O-CB 3.48Å; Y131-F135 PolarHBondContact O-N 3.03Å; F132-F135 HydrophobicContact CD2-CD1 4.21Å; F132-F135 HydrophobicContact CE2-CD1 4.38Å; F132-F135 WeakPolarHBondContact O-CB 3.43Å; F132-F135 PolarHBondContact O-N 3.44Å; I133-F135 PolarHBondContact O-N 3.31Å; F135-T139 VanDerWaalsContact CD2-OG1 3.3Å; F135-T139 WeakPolarHBondContact CD2-OG1 3.17Å; F135-T139 WeakPolarHBondContact CE2-OG1 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.16Å; F135-T139 PolarHBondContact O-N 3.43Å; F135-T139 PolarHBondContact O-OG1 2.81Å |
| 136 | C | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.9 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | F132 I133 M134 S140 C205 C209 | F132-C136 PolarHBondContact O-N 2.88Å; F132-C136 PolarHBondContact O-SG 2.84Å; F132-C136 VanDerWaalsContact O-SG 3.4Å; I133-C136 WeakPolarHBondContact O-CB 3.45Å; I133-C136 PolarHBondContact O-N 2.89Å; M134-C136 VanDerWaalsContact C-N 3.3Å; M134-C136 PolarHBondContact O-N 3.33Å; C136-S140 VanDerWaalsContact O-CB 3.31Å; C136-S140 WeakPolarHBondContact O-CB 3.36Å; C136-S140 PolarHBondContact O-N 3Å; C136-C205 HydrophobicContact CB-CB 4.36Å; C136-C205 WeakPolarHBondContact O-CB 3.28Å; C136-C209 HydrophobicContact CB-CB 3.92Å |
| 137 | I | 97.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 22.5 Ų | 22.5 | 31% | 0.308 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60.1 | -55.7 | 178.7 | -67.9 | 169.8 | 0 | 0 | 0 | 110.3 | I133 M134 T139 S140 C141 C209 | I133-I137 HydrophobicContact CG2-CD1 3.91Å; I133-I137 HydrophobicContact CG2-CG1 4.47Å; I133-I137 WeakPolarHBondContact O-CG1 3.38Å; I133-I137 PolarHBondContact O-N 3.22Å; M134-I137 PolarHBondContact O-N 3.35Å; M134-I137 HydrophobicContact SD-CD1 4.32Å; I137-T139 VanDerWaalsContact C-N 3.34Å; I137-T139 PolarHBondContact O-N 3.05Å; I137-S140 WeakPolarHBondContact O-CB 3.32Å; I137-S140 PolarHBondContact O-N 3.36Å; I137-S140 VanDerWaalsContact O-N 3.16Å; I137-C141 PolarHBondContact O-N 2.92Å; I137-C141 PolarHBondContact O-SG 3.34Å; I137-C141 VanDerWaalsContact O-SG 3.35Å; I137-C209 HydrophobicContact CG1-CB 4.47Å; I137-C209 WeakPolarHBondContact CG1-SG 3.47Å |
| 138 | Y | 98.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 22.8 Ų | 22.8 | 8% | 0.078 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.2 | -33.4 | -175.7 | -80.8 | -76 | 0 | 0 | 0 | 113 | Y55 L56 N59 M134 C141 T142 L253 | Y55-Y138 AromaticContact CE1-CE1 3.77Å; Y55-Y138 HydrophobicContact CE1-CE1 3.77Å; Y55-Y138 PolarHBondContact OH-OH 2.86Å; L56-Y138 HydrophobicContact CD2-CD1 3.98Å; L56-Y138 HydrophobicContact CD2-CE1 4.29Å; N59-Y138 HydrophobicContact CB-CD1 3.33Å; N59-Y138 HydrophobicContact CB-CD2 3.56Å; N59-Y138 HydrophobicContact CB-CE1 3.49Å; N59-Y138 VanDerWaalsContact CB-CE1 3.49Å; N59-Y138 HydrophobicContact CB-CE2 3.71Å; N59-Y138 HydrophobicContact CB-CG 3.36Å; M134-Y138 HydrophobicContact CB-CD2 4.44Å; M134-Y138 WeakPolarHBondContact O-CB 3.45Å; M134-Y138 WeakPolarHBondContact O-CD2 3.26Å; M134-Y138 PolarHBondContact O-N 3.17Å; Y138-C141 PolarHBondContact O-N 3.44Å; Y138-T142 VanDerWaalsContact O-CB 3.29Å; Y138-T142 WeakPolarHBondContact O-CB 3.48Å; Y138-T142 PolarHBondContact O-N 3.42Å; Y138-T142 PolarHBondContact O-OG1 2.98Å; Y138-L253 VanDerWaalsContact CE2-O 3.27Å; Y138-L253 WeakPolarHBondContact CE2-O 3.37Å; Y138-L253 PolarHBondContact OH-O 2.97Å |
| 139 | T | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 172 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | F15 F135 I137 T142 C143 I201 | F15-T139 HydrophobicContact CE2-CG2 4.45Å; F135-T139 VanDerWaalsContact CD2-OG1 3.3Å; F135-T139 WeakPolarHBondContact CD2-OG1 3.17Å; F135-T139 WeakPolarHBondContact CE2-OG1 3.31Å; F135-T139 WeakPolarHBondContact O-CB 3.16Å; F135-T139 PolarHBondContact O-N 3.43Å; F135-T139 PolarHBondContact O-OG1 2.81Å; I137-T139 VanDerWaalsContact C-N 3.34Å; I137-T139 PolarHBondContact O-N 3.05Å; T139-T142 PolarHBondContact O-N 3.2Å; T139-C143 WeakPolarHBondContact O-CB 3.4Å; T139-C143 PolarHBondContact O-N 3.09Å; T139-C143 PolarHBondContact O-SG 3.41Å; T139-I201 HydrophobicContact CG2-CG2 3.76Å |
| 140 | S | 98.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 18% | 0.175 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | C136 I137 T142 C143 L144 G202 | C136-S140 VanDerWaalsContact O-CB 3.31Å; C136-S140 WeakPolarHBondContact O-CB 3.36Å; C136-S140 PolarHBondContact O-N 3Å; I137-S140 WeakPolarHBondContact O-CB 3.32Å; I137-S140 PolarHBondContact O-N 3.36Å; I137-S140 VanDerWaalsContact O-N 3.16Å; S140-T142 PolarHBondContact O-N 2.69Å; S140-C143 PolarHBondContact O-N 3.19Å; S140-L144 WeakPolarHBondContact O-CB 3.23Å; S140-L144 PolarHBondContact O-N 3.48Å; S140-G202 PolarHBondContact OG-O 3.33Å |
| 141 | C | 98.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 24.2 Ų | 24.2 | 37% | 0.372 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | L56 I137 Y138 L144 Y145 | L56-C141 HydrophobicContact CD2-CB 3.88Å; I137-C141 PolarHBondContact O-N 2.92Å; I137-C141 PolarHBondContact O-SG 3.34Å; I137-C141 VanDerWaalsContact O-SG 3.35Å; Y138-C141 PolarHBondContact O-N 3.44Å; C141-L144 PolarHBondContact O-N 3.47Å; C141-Y145 VanDerWaalsContact O-CB 3.31Å; C141-Y145 WeakPolarHBondContact O-CB 3.46Å; C141-Y145 PolarHBondContact O-N 3.4Å |
| 142 | T | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.5 | -57 | 0 | 0 | 0 | 0 | 111 | F53 L56 M57 Y138 T139 S140 Y145 S146 | F53-T142 HydrophobicContact CE2-CG2 4.34Å; L56-T142 WeakPolarHBondContact CB-OG1 3.42Å; M57-T142 HydrophobicContact CE-CG2 3.47Å; M57-T142 VanDerWaalsContact CE-CG2 3.47Å; M57-T142 HydrophobicContact CG-CG2 4.25Å; M57-T142 HydrophobicContact SD-CG2 3.84Å; Y138-T142 VanDerWaalsContact O-CB 3.29Å; Y138-T142 WeakPolarHBondContact O-CB 3.48Å; Y138-T142 PolarHBondContact O-N 3.42Å; Y138-T142 PolarHBondContact O-OG1 2.98Å; T139-T142 PolarHBondContact O-N 3.2Å; S140-T142 PolarHBondContact O-N 2.69Å; T142-Y145 PolarHBondContact O-N 2.92Å; T142-S146 WeakPolarHBondContact O-CB 3.32Å; T142-S146 PolarHBondContact O-N 3.42Å; T142-S146 PolarHBondContact O-OG 3.46Å |
| 143 | C | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 176.8 | -74.4 | 0 | 0 | 0 | 0 | 111.9 | T139 S140 S146 L147 W198 | T139-C143 WeakPolarHBondContact O-CB 3.4Å; T139-C143 PolarHBondContact O-N 3.09Å; T139-C143 PolarHBondContact O-SG 3.41Å; S140-C143 PolarHBondContact O-N 3.19Å; C143-S146 PolarHBondContact O-N 3.41Å; C143-L147 VanDerWaalsContact O-CB 3.27Å; C143-L147 WeakPolarHBondContact O-CB 3.35Å; C143-L147 PolarHBondContact O-N 2.85Å; C143-W198 HydrophobicContact CB-CB 4.24Å; C143-W198 VanDerWaalsContact CB-O 3.32Å; C143-W198 WeakPolarHBondContact CB-O 3.44Å |
| 144 | L | 98.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 25.4 Ų | 25.4 | 56% | 0.555 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -62 | -44.6 | 176 | 178.8 | 61.4 | 0 | 0 | 0 | 111.4 | S140 C141 L147 V148 | S140-L144 WeakPolarHBondContact O-CB 3.23Å; S140-L144 PolarHBondContact O-N 3.48Å; C141-L144 PolarHBondContact O-N 3.47Å; L144-L147 HydrophobicContact CD1-CD2 4.5Å; L144-L147 WeakPolarHBondContact O-CB 3.47Å; L144-L147 PolarHBondContact O-N 2.55Å; L144-V148 WeakPolarHBondContact O-CG2 3.27Å; L144-V148 PolarHBondContact O-N 3.43Å |
| 145 | Y | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 28.1 Ų | 28.1 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 177 | -174.6 | -98.1 | 0 | 0 | 0 | 111.8 | H26 H49 V52 F53 L56 C141 T142 L147 V148 L149 | H26-Y145 AromaticContact NE2-CD1 3.82Å; H26-Y145 AromaticContact NE2-CE1 3.97Å; H49-Y145 WeakPolarHBondContact CA-OH 3.38Å; H49-Y145 VanDerWaalsContact CB-OH 3.32Å; H49-Y145 WeakPolarHBondContact CB-OH 3.11Å; H49-Y145 AromaticContact ND1-CZ 3.8Å; H49-Y145 PolarHBondContact ND1-OH 3.3Å; H49-Y145 PolarHBondContact O-OH 2.84Å; V52-Y145 HydrophobicContact CG1-CD2 4.29Å; V52-Y145 HydrophobicContact CG1-CE2 3.84Å; F53-Y145 HydrophobicContact CB-CE1 3.97Å; F53-Y145 HydrophobicContact CD2-CD1 4.17Å; F53-Y145 HydrophobicContact CD2-CE1 4.25Å; L56-Y145 HydrophobicContact CD1-CG 4.1Å; C141-Y145 VanDerWaalsContact O-CB 3.31Å; C141-Y145 WeakPolarHBondContact O-CB 3.46Å; C141-Y145 PolarHBondContact O-N 3.4Å; T142-Y145 PolarHBondContact O-N 2.92Å; Y145-L147 VanDerWaalsContact C-N 3.33Å; Y145-L147 PolarHBondContact O-N 2.86Å; Y145-V148 PolarHBondContact O-N 3.3Å; Y145-L149 HydrophobicContact CD1-CD1 4.05Å; Y145-L149 HydrophobicContact CE1-CD1 3.42Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.42Å; Y145-L149 HydrophobicContact CE1-CG 4.2Å; Y145-L149 PolarHBondContact O-N 2.87Å |
| 146 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | T22 H26 T142 C143 G150 W198 | T22-S146 WeakPolarHBondContact CG2-OG 3.29Å; H26-S146 PolarHBondContact CE1-OG 3Å; T142-S146 WeakPolarHBondContact O-CB 3.32Å; T142-S146 PolarHBondContact O-N 3.42Å; T142-S146 PolarHBondContact O-OG 3.46Å; C143-S146 PolarHBondContact O-N 3.41Å; S146-G150 PolarHBondContact O-N 3.1Å; S146-W198 WeakPolarHBondContact O-CZ3 3.4Å |
| 147 | L | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 175.9 | -174.8 | 78.8 | 0 | 0 | 0 | 110.9 | C143 L144 Y145 G150 V151 F168 L195 L199 | C143-L147 VanDerWaalsContact O-CB 3.27Å; C143-L147 WeakPolarHBondContact O-CB 3.35Å; C143-L147 PolarHBondContact O-N 2.85Å; L144-L147 HydrophobicContact CD1-CD2 4.5Å; L144-L147 WeakPolarHBondContact O-CB 3.47Å; L144-L147 PolarHBondContact O-N 2.55Å; Y145-L147 VanDerWaalsContact C-N 3.33Å; Y145-L147 PolarHBondContact O-N 2.86Å; L147-G150 PolarHBondContact O-N 3.07Å; L147-V151 WeakPolarHBondContact O-CG2 3.42Å; L147-V151 PolarHBondContact O-N 3.48Å; L147-F168 HydrophobicContact CD1-CE2 4.37Å; L147-F168 HydrophobicContact CD1-CZ 4.37Å; L147-L195 HydrophobicContact CD1-CD2 3.87Å; L147-L195 HydrophobicContact CD1-CG 3.7Å; L147-L195 WeakPolarHBondContact CD1-O 3.4Å; L147-L199 HydrophobicContact CD1-CB 4.19Å; L147-L199 HydrophobicContact CD2-CD1 4.25Å |
| 148 | V | 97.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 36 Ų | 36 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L144 Y145 V151 A152 | L144-V148 WeakPolarHBondContact O-CG2 3.27Å; L144-V148 PolarHBondContact O-N 3.43Å; Y145-V148 PolarHBondContact O-N 3.3Å; V148-V151 PolarHBondContact O-N 2.7Å; V148-A152 PolarHBondContact O-N 3.02Å |
| 149 | L | 97.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 176.6 | -67.8 | -172.8 | 0 | 0 | 0 | 112.5 | F30 I34 F35 Y145 A152 F153 | F30-L149 HydrophobicContact CB-CB 4.37Å; F30-L149 HydrophobicContact CB-CD1 4.49Å; F30-L149 HydrophobicContact CD2-CB 3.68Å; F30-L149 HydrophobicContact CD2-CD1 4.43Å; F30-L149 HydrophobicContact CE2-CB 4.18Å; F30-L149 HydrophobicContact CG-CB 4.18Å; I34-L149 HydrophobicContact CD1-CB 4.42Å; I34-L149 HydrophobicContact CD1-CD2 4.19Å; I34-L149 WeakPolarHBondContact CD1-O 3.37Å; F35-L149 HydrophobicContact CE2-CD2 3.93Å; F35-L149 HydrophobicContact CZ-CD2 3.88Å; Y145-L149 HydrophobicContact CD1-CD1 4.05Å; Y145-L149 HydrophobicContact CE1-CD1 3.42Å; Y145-L149 VanDerWaalsContact CE1-CD1 3.42Å; Y145-L149 HydrophobicContact CE1-CG 4.2Å; Y145-L149 PolarHBondContact O-N 2.87Å; L149-A152 PolarHBondContact O-N 3.44Å; L149-F153 WeakPolarHBondContact O-CB 3.38Å; L149-F153 PolarHBondContact O-N 2.84Å |
| 150 | G | 97.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F30 S146 L147 F153 L154 | F30-G150 VanDerWaalsContact CZ-CA 3.49Å; S146-G150 PolarHBondContact O-N 3.1Å; L147-G150 PolarHBondContact O-N 3.07Å; G150-F153 PolarHBondContact O-N 3.12Å; G150-L154 WeakPolarHBondContact O-CB 3.37Å; G150-L154 VanDerWaalsContact O-CG 3.32Å; G150-L154 WeakPolarHBondContact O-CG 3.34Å; G150-L154 PolarHBondContact O-N 3.27Å |
| 151 | V | 97.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 21% | 0.212 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 171.8 | 165.6 | 0 | 0 | 0 | 0 | 110.3 | L147 V148 F153 L154 T155 F162 L195 | L147-V151 WeakPolarHBondContact O-CG2 3.42Å; L147-V151 PolarHBondContact O-N 3.48Å; V148-V151 PolarHBondContact O-N 2.7Å; V151-F153 VanDerWaalsContact C-N 3.33Å; V151-F153 PolarHBondContact O-N 2.85Å; V151-L154 PolarHBondContact O-N 2.97Å; V151-T155 PolarHBondContact O-N 3.35Å; V151-T155 PolarHBondContact O-OG1 3.16Å; V151-F162 HydrophobicContact CB-CE2 4.47Å; V151-F162 HydrophobicContact CG1-CB 4.28Å; V151-F162 HydrophobicContact CG1-CD1 4.48Å; V151-F162 HydrophobicContact CG1-CD2 3.62Å; V151-F162 HydrophobicContact CG1-CE2 3.96Å; V151-F162 HydrophobicContact CG1-CG 3.89Å; V151-F162 HydrophobicContact CG2-CE1 4.39Å; V151-F162 HydrophobicContact CG2-CZ 4.37Å; V151-L195 HydrophobicContact CG2-CD1 3.85Å |
| 152 | A | 95.9 | Very high | 96.6 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I34 V148 L149 T155 V156 | I34-A152 HydrophobicContact CD1-CB 3.91Å; V148-A152 PolarHBondContact O-N 3.02Å; L149-A152 PolarHBondContact O-N 3.44Å; A152-T155 PolarHBondContact O-N 2.9Å; A152-V156 WeakPolarHBondContact O-CG2 3.3Å; A152-V156 PolarHBondContact O-N 2.95Å |
| 153 | F | 96.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176.1 | -176.8 | -92.3 | 0 | 0 | 0 | 112 | F29 F30 T33 I34 L149 G150 V151 T155 V156 E157 Y158 L191 | F29-F153 HydrophobicContact CB-CD2 4.43Å; F29-F153 HydrophobicContact CB-CE2 3.8Å; F29-F153 HydrophobicContact CB-CZ 3.99Å; F29-F153 HydrophobicContact CD1-CZ 4.14Å; F30-F153 HydrophobicContact CD1-CB 3.61Å; F30-F153 HydrophobicContact CD1-CD1 4.37Å; F30-F153 AromaticContact CD1-CD2 3.76Å; F30-F153 HydrophobicContact CD1-CD2 3.76Å; F30-F153 AromaticContact CD1-CG 3.65Å; F30-F153 HydrophobicContact CD1-CG 3.65Å; F30-F153 HydrophobicContact CE1-CB 3.7Å; F30-F153 HydrophobicContact CE1-CD1 4.11Å; F30-F153 HydrophobicContact CE1-CD2 4.32Å; F30-F153 AromaticContact CE1-CG 3.78Å; F30-F153 HydrophobicContact CE1-CG 3.78Å; T33-F153 HydrophobicContact CG2-CD2 3.98Å; T33-F153 HydrophobicContact CG2-CE2 3.84Å; T33-F153 WeakPolarHBondContact OG1-CE2 3.24Å; I34-F153 HydrophobicContact CD1-CB 4.23Å; L149-F153 WeakPolarHBondContact O-CB 3.38Å; L149-F153 PolarHBondContact O-N 2.84Å; G150-F153 PolarHBondContact O-N 3.12Å; V151-F153 VanDerWaalsContact C-N 3.33Å; V151-F153 PolarHBondContact O-N 2.85Å; F153-T155 VanDerWaalsContact C-N 3.26Å; F153-T155 PolarHBondContact O-N 3.09Å; F153-V156 PolarHBondContact O-N 3.22Å; F153-E157 HydrophobicContact CD1-CB 4.35Å; F153-E157 HydrophobicContact CE1-CB 3.99Å; F153-E157 HydrophobicContact CE1-CG 4.11Å; F153-E157 HydrophobicContact CE2-CB 4.37Å; F153-E157 HydrophobicContact CZ-CB 3.99Å; F153-E157 HydrophobicContact CZ-CG 3.91Å; F153-E157 VanDerWaalsContact O-CB 3.31Å; F153-E157 WeakPolarHBondContact O-CB 3.17Å; F153-E157 PolarHBondContact O-N 2.9Å; F153-Y158 HydrophobicContact CD1-CE2 4.41Å; F153-Y158 HydrophobicContact CE1-CD2 4.36Å; F153-Y158 AromaticContact CE1-CE2 3.79Å; F153-Y158 HydrophobicContact CE1-CE2 3.79Å; F153-L191 HydrophobicContact CD1-CD1 3.91Å; F153-L191 HydrophobicContact CE1-CD1 3.48Å; F153-L191 VanDerWaalsContact CE1-CD1 3.48Å |
| 154 | L | 97 | Very high | 96 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 177.5 | -73.9 | 166.1 | 0 | 0 | 0 | 112.3 | G150 V151 Y158 N159 I160 F162 L191 V192 L195 | G150-L154 WeakPolarHBondContact O-CB 3.37Å; G150-L154 VanDerWaalsContact O-CG 3.32Å; G150-L154 WeakPolarHBondContact O-CG 3.34Å; G150-L154 PolarHBondContact O-N 3.27Å; V151-L154 PolarHBondContact O-N 2.97Å; L154-Y158 HydrophobicContact CD2-CD2 3.77Å; L154-Y158 HydrophobicContact CD2-CE2 4.29Å; L154-Y158 CarbonylContact O-C 3.59Å; L154-Y158 WeakPolarHBondContact O-CA 3.38Å; L154-Y158 WeakPolarHBondContact O-CB 3.32Å; L154-Y158 PolarHBondContact O-N 3.37Å; L154-N159 PolarHBondContact O-N 3.23Å; L154-I160 HydrophobicContact CB-CD1 4.26Å; L154-I160 HydrophobicContact CD2-CD1 4.02Å; L154-I160 PolarHBondContact O-N 3.33Å; L154-F162 HydrophobicContact CB-CE2 4Å; L154-F162 HydrophobicContact CB-CZ 4.3Å; L154-F162 HydrophobicContact CD1-CZ 4.08Å; L154-L191 HydrophobicContact CD2-CB 4.37Å; L154-V192 HydrophobicContact CD1-CG2 4.43Å; L154-V192 HydrophobicContact CD2-CG2 4.23Å; L154-L195 HydrophobicContact CD1-CD1 3.4Å |
| 155 | T | 95.7 | Very high | 95.6 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.3 | -45.6 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | V151 A152 F153 N159 I160 F162 | V151-T155 PolarHBondContact O-N 3.35Å; V151-T155 PolarHBondContact O-OG1 3.16Å; A152-T155 PolarHBondContact O-N 2.9Å; F153-T155 VanDerWaalsContact C-N 3.26Å; F153-T155 PolarHBondContact O-N 3.09Å; T155-N159 VanDerWaalsContact O-CA 3.25Å; T155-N159 WeakPolarHBondContact O-CA 3.23Å; T155-N159 PolarHBondContact O-N 3.29Å; T155-I160 VanDerWaalsContact CA-O 3.27Å; T155-I160 WeakPolarHBondContact CA-O 3.16Å; T155-I160 WeakPolarHBondContact CB-O 3.3Å; T155-I160 PolarHBondContact OG1-O 2.96Å; T155-F162 WeakPolarHBondContact OG1-CD2 3.44Å |
| 156 | V | 94.1 | Very high | 95.4 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.3 | -48.2 | -177 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | T33 A152 F153 | T33-V156 HydrophobicContact CG2-CG1 4.13Å; A152-V156 WeakPolarHBondContact O-CG2 3.3Å; A152-V156 PolarHBondContact O-N 2.95Å; F153-V156 PolarHBondContact O-N 3.22Å |
| 157 | E | 95.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -83.5 | -39.5 | -171.9 | -172.9 | 63.8 | -160.5 | 0 | 0 | 112.4 | F153 | F153-E157 HydrophobicContact CD1-CB 4.35Å; F153-E157 HydrophobicContact CE1-CB 3.99Å; F153-E157 HydrophobicContact CE1-CG 4.11Å; F153-E157 HydrophobicContact CE2-CB 4.37Å; F153-E157 HydrophobicContact CZ-CB 3.99Å; F153-E157 HydrophobicContact CZ-CG 3.91Å; F153-E157 VanDerWaalsContact O-CB 3.31Å; F153-E157 WeakPolarHBondContact O-CB 3.17Å; F153-E157 PolarHBondContact O-N 2.9Å |
| 158 | Y | 95.4 | Very high | 95 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -111.3 | 5.7 | -173.4 | -62.3 | -73.4 | 0 | 0 | 0 | 113.8 | F153 L154 I160 Q188 L191 | F153-Y158 HydrophobicContact CD1-CE2 4.41Å; F153-Y158 HydrophobicContact CE1-CD2 4.36Å; F153-Y158 AromaticContact CE1-CE2 3.79Å; F153-Y158 HydrophobicContact CE1-CE2 3.79Å; L154-Y158 HydrophobicContact CD2-CD2 3.77Å; L154-Y158 HydrophobicContact CD2-CE2 4.29Å; L154-Y158 CarbonylContact O-C 3.59Å; L154-Y158 WeakPolarHBondContact O-CA 3.38Å; L154-Y158 WeakPolarHBondContact O-CB 3.32Å; L154-Y158 PolarHBondContact O-N 3.37Å; Y158-I160 PolarHBondContact O-N 3.19Å; Y158-Q188 HydrophobicContact CD1-CB 4.2Å; Y158-Q188 VanDerWaalsContact CD1-CD 3.48Å; Y158-Q188 HydrophobicContact CD1-CG 3.81Å; Y158-Q188 HydrophobicContact CD2-CG 4.13Å; Y158-Q188 HydrophobicContact CE1-CB 3.7Å; Y158-Q188 HydrophobicContact CE1-CG 3.85Å; Y158-Q188 HydrophobicContact CE2-CB 4.13Å; Y158-Q188 HydrophobicContact CE2-CG 4.08Å; Y158-Q188 HydrophobicContact CG-CG 3.96Å; Y158-L191 HydrophobicContact CE2-CD1 3.91Å |
| 159 | N | 94.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 63.2 Ų | 63.2 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | trans | 55.2 | 32.6 | 178.7 | -63.9 | -81.8 | 0 | 0 | 0 | 113.8 | L154 T155 | L154-N159 PolarHBondContact O-N 3.23Å; T155-N159 VanDerWaalsContact O-CA 3.25Å; T155-N159 WeakPolarHBondContact O-CA 3.23Å; T155-N159 PolarHBondContact O-N 3.29Å | ||
| 160 | I | 95.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | trans | -86.4 | 116.9 | 177 | -61.6 | 169.1 | 0 | 0 | 0 | 109.4 | L154 T155 Y158 F162 T167 L171 | L154-I160 HydrophobicContact CB-CD1 4.26Å; L154-I160 HydrophobicContact CD2-CD1 4.02Å; L154-I160 PolarHBondContact O-N 3.33Å; T155-I160 VanDerWaalsContact CA-O 3.27Å; T155-I160 WeakPolarHBondContact CA-O 3.16Å; T155-I160 WeakPolarHBondContact CB-O 3.3Å; T155-I160 PolarHBondContact OG1-O 2.96Å; Y158-I160 PolarHBondContact O-N 3.19Å; I160-F162 HydrophobicContact CB-CE2 4.11Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.47Å; I160-F162 HydrophobicContact CG2-CE2 3.6Å; I160-F162 HydrophobicContact CG2-CZ 3.79Å; I160-F162 WeakPolarHBondContact O-CD2 3.42Å; I160-T167 HydrophobicContact CG2-CG2 4.18Å; I160-L171 HydrophobicContact CD1-CD1 4.18Å; I160-L171 HydrophobicContact CG2-CD1 4.34Å | ||
| 161 | S | 94.2 | Very high | 94.7 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | trans | -88.2 | 125.6 | 176.2 | 178 | 0 | 0 | 0 | 0 | 112.3 | E163 T167 | S161-E163 PolarHBondContact OG-N 3.26Å; S161-T167 WeakPolarHBondContact O-CG2 3.23Å; S161-T167 PolarHBondContact O-OG1 2.92Å | ||
| 162 | F | 94.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | trans | -102.7 | 15.5 | 176.1 | -66.2 | -93 | 0 | 0 | 0 | 113.3 | V151 L154 T155 I160 N164 T167 F168 L171 | V151-F162 HydrophobicContact CB-CE2 4.47Å; V151-F162 HydrophobicContact CG1-CB 4.28Å; V151-F162 HydrophobicContact CG1-CD1 4.48Å; V151-F162 HydrophobicContact CG1-CD2 3.62Å; V151-F162 HydrophobicContact CG1-CE2 3.96Å; V151-F162 HydrophobicContact CG1-CG 3.89Å; V151-F162 HydrophobicContact CG2-CE1 4.39Å; V151-F162 HydrophobicContact CG2-CZ 4.37Å; L154-F162 HydrophobicContact CB-CE2 4Å; L154-F162 HydrophobicContact CB-CZ 4.3Å; L154-F162 HydrophobicContact CD1-CZ 4.08Å; T155-F162 WeakPolarHBondContact OG1-CD2 3.44Å; I160-F162 HydrophobicContact CB-CE2 4.11Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.47Å; I160-F162 HydrophobicContact CG2-CE2 3.6Å; I160-F162 HydrophobicContact CG2-CZ 3.79Å; I160-F162 WeakPolarHBondContact O-CD2 3.42Å; F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.26Å; F162-T167 HydrophobicContact CD1-CG2 4.4Å; F162-F168 HydrophobicContact CD1-CD2 4.26Å; F162-F168 HydrophobicContact CE1-CD2 4.19Å; F162-L171 HydrophobicContact CE1-CD2 3.73Å; F162-L171 HydrophobicContact CZ-CD2 3.74Å | ||
| 163 | E | 91.5 | Very high | 94.7 | Very high | 180 Ų | 180 | 68.7 Ų | 68.7 | 84% | 0.841 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -60.5 | -38.5 | 176.3 | -69.3 | -178.8 | 167.7 | 0 | 0 | 112 | S161 | S161-E163 PolarHBondContact OG-N 3.26Š|
| 164 | N | 92.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -86.7 | 119.2 | 172.7 | -171.6 | -22.1 | 0 | 0 | 0 | 109.5 | F162 L166 T167 | F162-N164 VanDerWaalsContact C-N 3.26Å; F162-N164 PolarHBondContact O-N 3.26Å; N164-L166 PolarHBondContact O-N 3.11Å; N164-L166 VanDerWaalsContact O-N 3.1Å; N164-L166 WeakPolarHBondContact OD1-CB 3.11Å; N164-L166 PolarHBondContact OD1-N 2.98Å; N164-T167 VanDerWaalsContact O-CB 3.28Å; N164-T167 WeakPolarHBondContact O-CB 3.48Å; N164-T167 PolarHBondContact O-N 3.1Å; N164-T167 PolarHBondContact O-OG1 3.11Å |
| 165 | P | 90.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 72.9 Ų | 72.9 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.9 | -23.1 | 178.2 | 24.9 | -34.6 | 0 | 0 | 0 | 112.9 | T167 F168 | P165-T167 PolarHBondContact O-N 2.9Å; P165-F168 PolarHBondContact O-N 3.46Å |
| 166 | L | 93.9 | Very high | 94.9 | Very high | 95 Ų | 95 | 72.2 Ų | 72.2 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -30.1 | 173.8 | -171.2 | 62 | 0 | 0 | 0 | 112 | N164 F168 L169 T170 | N164-L166 PolarHBondContact O-N 3.11Å; N164-L166 VanDerWaalsContact O-N 3.1Å; N164-L166 WeakPolarHBondContact OD1-CB 3.11Å; N164-L166 PolarHBondContact OD1-N 2.98Å; L166-F168 VanDerWaalsContact C-N 3.28Å; L166-F168 PolarHBondContact O-N 2.96Å; L166-L169 HydrophobicContact CD1-CB 4.41Å; L166-L169 HydrophobicContact CD1-CD1 4.37Å; L166-L169 PolarHBondContact O-N 2.97Å; L166-T170 HydrophobicContact CD1-CG2 4.05Å; L166-T170 HydrophobicContact CG-CG2 4.06Å; L166-T170 PolarHBondContact O-N 3.3Å; L166-T170 PolarHBondContact O-OG1 2.94Å; L166-T170 VanDerWaalsContact O-OG1 3.07Å |
| 167 | T | 94.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 22% | 0.221 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.6 | -45.7 | 175 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | I160 S161 F162 N164 P165 L169 T170 L171 | I160-T167 HydrophobicContact CG2-CG2 4.18Å; S161-T167 WeakPolarHBondContact O-CG2 3.23Å; S161-T167 PolarHBondContact O-OG1 2.92Å; F162-T167 HydrophobicContact CD1-CG2 4.4Å; N164-T167 VanDerWaalsContact O-CB 3.28Å; N164-T167 WeakPolarHBondContact O-CB 3.48Å; N164-T167 PolarHBondContact O-N 3.1Å; N164-T167 PolarHBondContact O-OG1 3.11Å; P165-T167 PolarHBondContact O-N 2.9Å; T167-L169 PolarHBondContact O-N 3.42Å; T167-T170 PolarHBondContact O-N 3.42Å; T167-T170 PolarHBondContact O-OG1 3.19Å; T167-L171 WeakPolarHBondContact O-CA 3.41Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 PolarHBondContact O-N 2.71Å |
| 168 | F | 93.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 179.1 | -166.7 | -80.6 | 0 | 0 | 0 | 112.2 | L147 F162 P165 L166 L195 Y196 L199 | L147-F168 HydrophobicContact CD1-CE2 4.37Å; L147-F168 HydrophobicContact CD1-CZ 4.37Å; F162-F168 HydrophobicContact CD1-CD2 4.26Å; F162-F168 HydrophobicContact CE1-CD2 4.19Å; P165-F168 PolarHBondContact O-N 3.46Å; L166-F168 VanDerWaalsContact C-N 3.28Å; L166-F168 PolarHBondContact O-N 2.96Å; F168-L195 HydrophobicContact CD2-CD2 4.25Å; F168-L195 HydrophobicContact CE2-CD2 3.35Å; F168-L195 HydrophobicContact CE2-CG 4.48Å; F168-L195 HydrophobicContact CZ-CD2 3.55Å; F168-Y196 HydrophobicContact CD1-CE1 4.27Å; F168-Y196 HydrophobicContact CE1-CD1 4.29Å; F168-Y196 AromaticContact CE1-CE1 3.79Å; F168-Y196 HydrophobicContact CE1-CE1 3.79Å; F168-Y196 HydrophobicContact CZ-CE1 4.34Å; F168-Y196 PolarHBondContact O-OH 3.47Å; F168-L199 HydrophobicContact CE1-CD2 3.51Å; F168-L199 HydrophobicContact CZ-CD2 3.68Å |
| 169 | L | 93.3 | Very high | 95.3 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -77 | -33.5 | 179 | -66.5 | 172.2 | 0 | 0 | 0 | 112.6 | L166 T167 | L166-L169 HydrophobicContact CD1-CB 4.41Å; L166-L169 HydrophobicContact CD1-CD1 4.37Å; L166-L169 PolarHBondContact O-N 2.97Å; T167-L169 PolarHBondContact O-N 3.42Å |
| 170 | T | 96.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -95.7 | -13.8 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | L166 T167 L172 P173 L174 | L166-T170 HydrophobicContact CD1-CG2 4.05Å; L166-T170 HydrophobicContact CG-CG2 4.06Å; L166-T170 PolarHBondContact O-N 3.3Å; L166-T170 PolarHBondContact O-OG1 2.94Å; L166-T170 VanDerWaalsContact O-OG1 3.07Å; T167-T170 PolarHBondContact O-N 3.42Å; T167-T170 PolarHBondContact O-OG1 3.19Å; T170-L172 PolarHBondContact O-N 3.06Å; T170-P173 VanDerWaalsContact O-CD 3.23Å; T170-P173 WeakPolarHBondContact O-CD 3.31Å; T170-P173 VanDerWaalsContact O-CG 3.3Å; T170-P173 WeakPolarHBondContact O-CG 3.43Å; T170-L174 VanDerWaalsContact O-CB 3.3Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 VanDerWaalsContact O-CG 3.23Å; T170-L174 WeakPolarHBondContact O-CG 3.29Å; T170-L174 PolarHBondContact O-N 3.25Å |
| 171 | L | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | -173.6 | 175.4 | 69.3 | 0 | 0 | 0 | 113 | I160 F162 T167 S175 V192 Y196 | I160-L171 HydrophobicContact CD1-CD1 4.18Å; I160-L171 HydrophobicContact CG2-CD1 4.34Å; F162-L171 HydrophobicContact CE1-CD2 3.73Å; F162-L171 HydrophobicContact CZ-CD2 3.74Å; T167-L171 WeakPolarHBondContact O-CA 3.41Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 PolarHBondContact O-N 2.71Å; L171-S175 WeakPolarHBondContact CD1-OG 3.45Å; L171-S175 WeakPolarHBondContact O-CB 3.28Å; L171-S175 PolarHBondContact O-N 3.45Å; L171-S175 PolarHBondContact O-OG 3.17Å; L171-V192 HydrophobicContact CD1-CG2 4.26Å; L171-V192 HydrophobicContact CD2-CG1 4.18Å; L171-V192 HydrophobicContact CD2-CG2 4.24Å; L171-V192 HydrophobicContact CG-CG1 3.88Å; L171-V192 HydrophobicContact CG-CG2 4.22Å; L171-Y196 WeakPolarHBondContact CB-OH 3.28Å |
| 172 | L | 97.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.4 | -55.8 | 178.6 | -177.5 | 57.7 | 0 | 0 | 0 | 113.4 | T170 L174 S175 T176 V192 L193 Y196 | T170-L172 PolarHBondContact O-N 3.06Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-N 3.15Å; L172-T176 WeakPolarHBondContact O-CB 3.43Å; L172-T176 PolarHBondContact O-N 3.41Å; L172-T176 PolarHBondContact O-OG1 3.17Å; L172-V192 HydrophobicContact CD1-CG1 4.26Å; L172-L193 HydrophobicContact CD1-CD2 3.68Å; L172-Y196 HydrophobicContact CB-CD2 3.89Å; L172-Y196 HydrophobicContact CB-CE1 4.22Å; L172-Y196 HydrophobicContact CB-CE2 3.43Å; L172-Y196 VanDerWaalsContact CB-CE2 3.43Å; L172-Y196 HydrophobicContact CB-CG 4.5Å; L172-Y196 HydrophobicContact CD1-CD2 4.25Å; L172-Y196 HydrophobicContact CD1-CE2 4.45Å; L172-Y196 HydrophobicContact CD2-CD1 4.49Å; L172-Y196 HydrophobicContact CD2-CD2 4.11Å; L172-Y196 HydrophobicContact CD2-CE2 4.48Å; L172-Y196 HydrophobicContact CD2-CG 4.14Å; L172-Y196 HydrophobicContact CG-CD2 4.32Å; L172-Y196 HydrophobicContact CG-CE2 4.32Å; L172-Y196 PolarHBondContact N-OH 3.48Å |
| 173 | P | 97.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 80.6 Ų | 80.6 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | -178.2 | 22.2 | -32.2 | 0 | 0 | 0 | 112.3 | T170 T176 G177 | T170-P173 VanDerWaalsContact O-CD 3.23Å; T170-P173 WeakPolarHBondContact O-CD 3.31Å; T170-P173 VanDerWaalsContact O-CG 3.3Å; T170-P173 WeakPolarHBondContact O-CG 3.43Å; P173-T176 PolarHBondContact O-N 3.42Å; P173-G177 PolarHBondContact O-N 2.86Å; P173-G177 VanDerWaalsContact O-N 3.14Å |
| 174 | L | 97.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 177.2 | -68 | 176.4 | 0 | 0 | 0 | 111.9 | T170 L172 T176 G177 Y178 | T170-L174 VanDerWaalsContact O-CB 3.3Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 VanDerWaalsContact O-CG 3.23Å; T170-L174 WeakPolarHBondContact O-CG 3.29Å; T170-L174 PolarHBondContact O-N 3.25Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.36Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 3.48Å; L174-G177 PolarHBondContact O-N 3.13Å; L174-G177 VanDerWaalsContact O-N 3.17Å; L174-Y178 HydrophobicContact CB-CE2 4.47Å; L174-Y178 PolarHBondContact O-N 3.01Å |
| 175 | S | 97.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63 | -34.9 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | L171 L172 Y178 F179 I184 | L171-S175 WeakPolarHBondContact CD1-OG 3.45Å; L171-S175 WeakPolarHBondContact O-CB 3.28Å; L171-S175 PolarHBondContact O-N 3.45Å; L171-S175 PolarHBondContact O-OG 3.17Å; L172-S175 PolarHBondContact O-N 3.15Å; S175-Y178 PolarHBondContact O-N 3.29Å; S175-F179 VanDerWaalsContact O-CB 3.28Å; S175-F179 WeakPolarHBondContact O-CB 3.43Å; S175-F179 PolarHBondContact O-N 3.03Å; S175-I184 VanDerWaalsContact O-CD1 3.31Å; S175-I184 WeakPolarHBondContact O-CD1 3.44Å |
| 176 | T | 98 | Very high | 96.8 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.3 | -56 | 0 | 0 | 0 | 0 | 110.7 | L172 P173 L174 F179 F180 F189 | L172-T176 WeakPolarHBondContact O-CB 3.43Å; L172-T176 PolarHBondContact O-N 3.41Å; L172-T176 PolarHBondContact O-OG1 3.17Å; P173-T176 PolarHBondContact O-N 3.42Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 3.48Å; T176-F179 PolarHBondContact O-N 2.9Å; T176-F180 HydrophobicContact CG2-CD2 4Å; T176-F180 HydrophobicContact CG2-CE2 3.72Å; T176-F180 WeakPolarHBondContact O-CD2 3.34Å; T176-F180 PolarHBondContact O-N 2.73Å; T176-F189 HydrophobicContact CG2-CE2 4.47Å; T176-F189 HydrophobicContact CG2-CZ 4.35Å; T176-F189 WeakPolarHBondContact OG1-CE2 3.38Å |
| 177 | G | 98.1 | Very high | 97 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P173 L174 F179 F180 L181 | P173-G177 PolarHBondContact O-N 2.86Å; P173-G177 VanDerWaalsContact O-N 3.14Å; L174-G177 PolarHBondContact O-N 3.13Å; L174-G177 VanDerWaalsContact O-N 3.17Å; G177-F179 VanDerWaalsContact C-N 3.29Å; G177-F179 PolarHBondContact O-N 2.77Å; G177-F180 PolarHBondContact O-N 2.96Å; G177-L181 WeakPolarHBondContact O-CG 3.39Å; G177-L181 PolarHBondContact O-N 3.46Å |
| 178 | Y | 98.1 | Very high | 97.2 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 45% | 0.451 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -32.4 | 178.4 | -68 | -24.3 | 0 | 0 | 0 | 113.5 | L174 S175 L181 G182 V183 | L174-Y178 HydrophobicContact CB-CE2 4.47Å; L174-Y178 PolarHBondContact O-N 3.01Å; S175-Y178 PolarHBondContact O-N 3.29Å; Y178-L181 PolarHBondContact O-N 3.27Å; Y178-G182 PolarHBondContact O-N 3.36Å; Y178-V183 WeakPolarHBondContact O-CB 3.42Å; Y178-V183 PolarHBondContact O-N 3.25Å |
| 179 | F | 98.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 174.7 | 175.6 | -108.7 | 0 | 0 | 0 | 111.5 | S175 T176 G177 L181 G182 I184 F189 | S175-F179 VanDerWaalsContact O-CB 3.28Å; S175-F179 WeakPolarHBondContact O-CB 3.43Å; S175-F179 PolarHBondContact O-N 3.03Å; T176-F179 PolarHBondContact O-N 2.9Å; G177-F179 VanDerWaalsContact C-N 3.29Å; G177-F179 PolarHBondContact O-N 2.77Å; F179-L181 VanDerWaalsContact C-N 3.27Å; F179-L181 PolarHBondContact O-N 3.22Å; F179-G182 PolarHBondContact O-N 3.43Å; F179-I184 HydrophobicContact CB-CD1 4.21Å; F179-I184 HydrophobicContact CB-CG1 3.96Å; F179-F189 HydrophobicContact CB-CB 4.12Å; F179-F189 HydrophobicContact CB-CD1 4.21Å; F179-F189 HydrophobicContact CB-CD2 4.05Å; F179-F189 HydrophobicContact CB-CG 3.85Å; F179-F189 AromaticContact CD1-CD1 3.7Å; F179-F189 HydrophobicContact CD1-CD1 3.7Å; F179-F189 AromaticContact CD1-CE1 3.89Å; F179-F189 HydrophobicContact CD1-CE1 3.89Å; F179-F189 HydrophobicContact CD1-CG 4.23Å; F179-F189 HydrophobicContact CD2-CB 3.83Å; F179-F189 HydrophobicContact CD2-CD1 4.07Å; F179-F189 HydrophobicContact CD2-CG 4.09Å; F179-F189 HydrophobicContact CE1-CD1 4.06Å; F179-F189 HydrophobicContact CE1-CE1 4.27Å; F179-F189 HydrophobicContact CE2-CD1 4.4Å; F179-F189 HydrophobicContact CG-CB 4.01Å; F179-F189 AromaticContact CG-CD1 3.7Å; F179-F189 HydrophobicContact CG-CD1 3.7Å; F179-F189 HydrophobicContact CG-CD2 4.43Å; F179-F189 HydrophobicContact CG-CE1 4.28Å; F179-F189 AromaticContact CG-CG 3.78Å; F179-F189 HydrophobicContact CG-CG 3.78Å; F179-F189 HydrophobicContact CZ-CD1 4.4Å |
| 180 | F | 97.9 | Very high | 97.6 | Very high | 163 Ų | 163 | 63.8 Ų | 63.8 | 72% | 0.715 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.8 | -25.6 | 177.9 | -74.7 | -66.3 | 0 | 0 | 0 | 113.6 | T176 G177 | T176-F180 HydrophobicContact CG2-CD2 4Å; T176-F180 HydrophobicContact CG2-CE2 3.72Å; T176-F180 WeakPolarHBondContact O-CD2 3.34Å; T176-F180 PolarHBondContact O-N 2.73Å; G177-F180 PolarHBondContact O-N 2.96Å |
| 181 | L | 98.1 | Very high | 97.7 | Very high | 134 Ų | 134 | 61.6 Ų | 61.6 | 70% | 0.702 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.6 | 170.8 | -65.7 | 173.9 | 0 | 0 | 0 | 113.2 | G177 Y178 F179 V183 | G177-L181 WeakPolarHBondContact O-CG 3.39Å; G177-L181 PolarHBondContact O-N 3.46Å; Y178-L181 PolarHBondContact O-N 3.27Å; F179-L181 VanDerWaalsContact C-N 3.27Å; F179-L181 PolarHBondContact O-N 3.22Å; L181-V183 VanDerWaalsContact C-N 3.27Å; L181-V183 HydrophobicContact CB-CG2 3.93Å; L181-V183 PolarHBondContact O-N 2.99Å |
| 182 | G | 97.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 61 Ų | 61 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 16.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y178 F179 | Y178-G182 PolarHBondContact O-N 3.36Å; F179-G182 PolarHBondContact O-N 3.43Å |
| 183 | V | 97.8 | Very high | 97.9 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | trans | -80.5 | -35.2 | -176.8 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | Y178 L181 | Y178-V183 WeakPolarHBondContact O-CB 3.42Å; Y178-V183 PolarHBondContact O-N 3.25Å; L181-V183 VanDerWaalsContact C-N 3.27Å; L181-V183 HydrophobicContact CB-CG2 3.93Å; L181-V183 PolarHBondContact O-N 2.99Å | ||
| 184 | I | 97.9 | Very high | 97.9 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -113.8 | 151 | 178.5 | 65.4 | 168.8 | 0 | 0 | 0 | 111.8 | S175 F179 F189 | S175-I184 VanDerWaalsContact O-CD1 3.31Å; S175-I184 WeakPolarHBondContact O-CD1 3.44Å; F179-I184 HydrophobicContact CB-CD1 4.21Å; F179-I184 HydrophobicContact CB-CG1 3.96Å; I184-F189 HydrophobicContact CD1-CB 3.97Å; I184-F189 HydrophobicContact CD1-CD2 4.48Å |
| 185 | S | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -67.9 | 154.6 | 177.3 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | L187 Q188 F189 | S185-L187 PolarHBondContact O-N 3.21Å; S185-Q188 PolarHBondContact O-N 3.39Å; S185-Q188 WeakPolarHBondContact OG-CB 3.36Å; S185-Q188 PolarHBondContact OG-N 2.96Å; S185-F189 PolarHBondContact O-N 2.96Å; S185-F189 VanDerWaalsContact O-N 3.08Å | ||
| 186 | G | 97.9 | Very high | 98 | Very high | 39 Ų | 39 | 56 Ų | 56 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -33 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F190 | G186-F190 WeakPolarHBondContact O-CB 3.32Å; G186-F190 PolarHBondContact O-N 3.39Å |
| 187 | L | 97 | Very high | 98 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.6 | 177.2 | 62.9 | 0 | 0 | 0 | 111.6 | F25 F29 S185 F189 F190 L191 | F25-L187 HydrophobicContact CE1-CD1 4.23Å; F29-L187 HydrophobicContact CD1-CD2 4.35Å; F29-L187 HydrophobicContact CE1-CD1 4.21Å; F29-L187 HydrophobicContact CE1-CD2 3.59Å; F29-L187 HydrophobicContact CZ-CD1 4.1Å; F29-L187 HydrophobicContact CZ-CD2 4.16Å; S185-L187 PolarHBondContact O-N 3.21Å; L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 3.4Å; L187-F190 PolarHBondContact O-N 2.87Å; L187-L191 HydrophobicContact CD1-CD1 4.29Å; L187-L191 HydrophobicContact CD1-CG 4.43Å; L187-L191 HydrophobicContact CG-CD1 4.14Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 3.02Å |
| 188 | Q | 97.8 | Very high | 98 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 177 | -175.5 | 179.4 | -7.1 | 0 | 0 | 110.8 | Y158 S185 F190 L191 V192 | Y158-Q188 HydrophobicContact CD1-CB 4.2Å; Y158-Q188 VanDerWaalsContact CD1-CD 3.48Å; Y158-Q188 HydrophobicContact CD1-CG 3.81Å; Y158-Q188 HydrophobicContact CD2-CG 4.13Å; Y158-Q188 HydrophobicContact CE1-CB 3.7Å; Y158-Q188 HydrophobicContact CE1-CG 3.85Å; Y158-Q188 HydrophobicContact CE2-CB 4.13Å; Y158-Q188 HydrophobicContact CE2-CG 4.08Å; Y158-Q188 HydrophobicContact CG-CG 3.96Å; S185-Q188 PolarHBondContact O-N 3.39Å; S185-Q188 WeakPolarHBondContact OG-CB 3.36Å; S185-Q188 PolarHBondContact OG-N 2.96Å; Q188-F190 VanDerWaalsContact C-N 3.34Å; Q188-F190 PolarHBondContact O-N 3.43Å; Q188-L191 PolarHBondContact O-N 3.47Å; Q188-V192 WeakPolarHBondContact O-CG2 3.05Å; Q188-V192 PolarHBondContact O-N 3.5Å |
| 189 | F | 98.4 | Very high | 98 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.1 | -179.6 | -121.2 | 0 | 0 | 0 | 112.1 | T176 F179 I184 S185 L187 L191 V192 L193 | T176-F189 HydrophobicContact CG2-CE2 4.47Å; T176-F189 HydrophobicContact CG2-CZ 4.35Å; T176-F189 WeakPolarHBondContact OG1-CE2 3.38Å; F179-F189 HydrophobicContact CB-CB 4.12Å; F179-F189 HydrophobicContact CB-CD1 4.21Å; F179-F189 HydrophobicContact CB-CD2 4.05Å; F179-F189 HydrophobicContact CB-CG 3.85Å; F179-F189 AromaticContact CD1-CD1 3.7Å; F179-F189 HydrophobicContact CD1-CD1 3.7Å; F179-F189 AromaticContact CD1-CE1 3.89Å; F179-F189 HydrophobicContact CD1-CE1 3.89Å; F179-F189 HydrophobicContact CD1-CG 4.23Å; F179-F189 HydrophobicContact CD2-CB 3.83Å; F179-F189 HydrophobicContact CD2-CD1 4.07Å; F179-F189 HydrophobicContact CD2-CG 4.09Å; F179-F189 HydrophobicContact CE1-CD1 4.06Å; F179-F189 HydrophobicContact CE1-CE1 4.27Å; F179-F189 HydrophobicContact CE2-CD1 4.4Å; F179-F189 HydrophobicContact CG-CB 4.01Å; F179-F189 AromaticContact CG-CD1 3.7Å; F179-F189 HydrophobicContact CG-CD1 3.7Å; F179-F189 HydrophobicContact CG-CD2 4.43Å; F179-F189 HydrophobicContact CG-CE1 4.28Å; F179-F189 AromaticContact CG-CG 3.78Å; F179-F189 HydrophobicContact CG-CG 3.78Å; F179-F189 HydrophobicContact CZ-CD1 4.4Å; I184-F189 HydrophobicContact CD1-CB 3.97Å; I184-F189 HydrophobicContact CD1-CD2 4.48Å; S185-F189 PolarHBondContact O-N 2.96Å; S185-F189 VanDerWaalsContact O-N 3.08Å; L187-F189 VanDerWaalsContact C-N 3.34Å; L187-F189 PolarHBondContact O-N 3.4Å; F189-L191 PolarHBondContact O-N 2.95Å; F189-V192 WeakPolarHBondContact O-CB 3.3Å; F189-V192 PolarHBondContact O-N 3.28Å; F189-L193 HydrophobicContact CD1-CD1 3.96Å; F189-L193 HydrophobicContact CE1-CD1 3.51Å; F189-L193 HydrophobicContact CE1-CG 4.11Å; F189-L193 HydrophobicContact CE2-CD1 4.43Å; F189-L193 HydrophobicContact CE2-CD2 4.28Å; F189-L193 HydrophobicContact CE2-CG 4.14Å; F189-L193 HydrophobicContact CZ-CD1 3.78Å; F189-L193 HydrophobicContact CZ-CD2 3.97Å; F189-L193 HydrophobicContact CZ-CG 3.91Å; F189-L193 WeakPolarHBondContact O-CG 3.49Å; F189-L193 PolarHBondContact O-N 2.89Å |
| 190 | F | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 37% | 0.368 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 178.7 | -175.7 | -121.7 | 0 | 0 | 0 | 112.8 | V21 F25 G186 L187 Q188 L193 M194 | V21-F190 HydrophobicContact CG1-CE1 3.64Å; V21-F190 HydrophobicContact CG1-CZ 3.66Å; V21-F190 HydrophobicContact CG2-CZ 4.2Å; F25-F190 HydrophobicContact CE1-CD1 4.1Å; F25-F190 HydrophobicContact CE1-CE1 4.1Å; F25-F190 HydrophobicContact CE2-CD1 4.25Å; F25-F190 HydrophobicContact CE2-CE1 4.11Å; F25-F190 AromaticContact CZ-CD1 3.37Å; F25-F190 HydrophobicContact CZ-CD1 3.37Å; F25-F190 AromaticContact CZ-CE1 3.45Å; F25-F190 HydrophobicContact CZ-CE1 3.45Å; F25-F190 VanDerWaalsContact CZ-CE1 3.45Å; F25-F190 HydrophobicContact CZ-CG 4.41Å; G186-F190 WeakPolarHBondContact O-CB 3.32Å; G186-F190 PolarHBondContact O-N 3.39Å; L187-F190 PolarHBondContact O-N 2.87Å; Q188-F190 VanDerWaalsContact C-N 3.34Å; Q188-F190 PolarHBondContact O-N 3.43Å; F190-L193 PolarHBondContact O-N 3.33Å; F190-M194 HydrophobicContact CE1-CG 4.31Å; F190-M194 HydrophobicContact CE2-CG 4.15Å; F190-M194 HydrophobicContact CZ-CG 4.02Å; F190-M194 HydrophobicContact CZ-SD 4.4Å; F190-M194 WeakPolarHBondContact O-CB 3.35Å; F190-M194 WeakPolarHBondContact O-CG 3.23Å; F190-M194 PolarHBondContact O-N 2.83Å |
| 191 | L | 98 | Very high | 98 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 171.4 | -79.5 | 163.3 | 0 | 0 | 0 | 111.8 | F25 F30 F153 L154 Y158 L187 Q188 F189 M194 L195 | F25-L191 HydrophobicContact CD1-CD2 4.18Å; F25-L191 HydrophobicContact CD2-CD2 3.83Å; F25-L191 HydrophobicContact CE1-CD2 3.93Å; F25-L191 HydrophobicContact CE1-CG 4.34Å; F25-L191 HydrophobicContact CE2-CD2 3.52Å; F25-L191 HydrophobicContact CE2-CG 4.22Å; F25-L191 HydrophobicContact CG-CD2 4.1Å; F25-L191 HydrophobicContact CZ-CD2 3.55Å; F25-L191 HydrophobicContact CZ-CG 3.87Å; F30-L191 HydrophobicContact CE1-CD2 3.9Å; F30-L191 HydrophobicContact CZ-CD2 4.16Å; F153-L191 HydrophobicContact CD1-CD1 3.91Å; F153-L191 HydrophobicContact CE1-CD1 3.48Å; F153-L191 VanDerWaalsContact CE1-CD1 3.48Å; L154-L191 HydrophobicContact CD2-CB 4.37Å; Y158-L191 HydrophobicContact CE2-CD1 3.91Å; L187-L191 HydrophobicContact CD1-CD1 4.29Å; L187-L191 HydrophobicContact CD1-CG 4.43Å; L187-L191 HydrophobicContact CG-CD1 4.14Å; L187-L191 WeakPolarHBondContact O-CG 3.23Å; L187-L191 PolarHBondContact O-N 3.02Å; Q188-L191 PolarHBondContact O-N 3.47Å; F189-L191 PolarHBondContact O-N 2.95Å; L191-M194 PolarHBondContact O-N 2.91Å; L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 PolarHBondContact O-N 2.97Å |
| 192 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | L154 L171 L172 Q188 F189 M194 L195 Y196 | L154-V192 HydrophobicContact CD1-CG2 4.43Å; L154-V192 HydrophobicContact CD2-CG2 4.23Å; L171-V192 HydrophobicContact CD1-CG2 4.26Å; L171-V192 HydrophobicContact CD2-CG1 4.18Å; L171-V192 HydrophobicContact CD2-CG2 4.24Å; L171-V192 HydrophobicContact CG-CG1 3.88Å; L171-V192 HydrophobicContact CG-CG2 4.22Å; L172-V192 HydrophobicContact CD1-CG1 4.26Å; Q188-V192 WeakPolarHBondContact O-CG2 3.05Å; Q188-V192 PolarHBondContact O-N 3.5Å; F189-V192 WeakPolarHBondContact O-CB 3.3Å; F189-V192 PolarHBondContact O-N 3.28Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.05Å; V192-L195 WeakPolarHBondContact O-CB 3.45Å; V192-L195 PolarHBondContact O-N 2.89Å; V192-Y196 HydrophobicContact CG1-CD2 4.29Å; V192-Y196 HydrophobicContact CG1-CE2 3.85Å; V192-Y196 WeakPolarHBondContact O-CD2 3.47Å; V192-Y196 PolarHBondContact O-N 3.39Å |
| 193 | L | 98.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57 | -47 | 176.1 | -73 | 173.3 | 0 | 0 | 0 | 112.2 | L172 F189 F190 L195 Y196 V197 | L172-L193 HydrophobicContact CD1-CD2 3.68Å; F189-L193 HydrophobicContact CD1-CD1 3.96Å; F189-L193 HydrophobicContact CE1-CD1 3.51Å; F189-L193 HydrophobicContact CE1-CG 4.11Å; F189-L193 HydrophobicContact CE2-CD1 4.43Å; F189-L193 HydrophobicContact CE2-CD2 4.28Å; F189-L193 HydrophobicContact CE2-CG 4.14Å; F189-L193 HydrophobicContact CZ-CD1 3.78Å; F189-L193 HydrophobicContact CZ-CD2 3.97Å; F189-L193 HydrophobicContact CZ-CG 3.91Å; F189-L193 WeakPolarHBondContact O-CG 3.49Å; F189-L193 PolarHBondContact O-N 2.89Å; F190-L193 PolarHBondContact O-N 3.33Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.87Å; L193-Y196 PolarHBondContact O-N 3.06Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 2.76Å |
| 194 | M | 98.1 | Very high | 98 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -33 | -180 | -78.6 | -62.9 | -55.6 | 0 | 0 | 112.7 | V21 F25 F190 L191 V192 Y196 V197 W198 | V21-M194 HydrophobicContact CB-CE 4.38Å; V21-M194 HydrophobicContact CG1-CE 3.91Å; V21-M194 HydrophobicContact CG1-CG 4.08Å; V21-M194 HydrophobicContact CG1-SD 3.97Å; F25-M194 HydrophobicContact CD2-CB 4.4Å; F25-M194 HydrophobicContact CD2-CG 4.42Å; F25-M194 HydrophobicContact CE2-CB 3.75Å; F25-M194 HydrophobicContact CE2-CG 3.6Å; F25-M194 HydrophobicContact CZ-CG 4.4Å; F190-M194 HydrophobicContact CE1-CG 4.31Å; F190-M194 HydrophobicContact CE2-CG 4.15Å; F190-M194 HydrophobicContact CZ-CG 4.02Å; F190-M194 HydrophobicContact CZ-SD 4.4Å; F190-M194 WeakPolarHBondContact O-CB 3.35Å; F190-M194 WeakPolarHBondContact O-CG 3.23Å; F190-M194 PolarHBondContact O-N 2.83Å; L191-M194 PolarHBondContact O-N 2.91Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.05Å; M194-Y196 PolarHBondContact O-N 3.26Å; M194-V197 HydrophobicContact CE-CG1 4.49Å; M194-V197 WeakPolarHBondContact O-CB 3.44Å; M194-V197 PolarHBondContact O-N 3.24Å; M194-V197 HydrophobicContact SD-CB 4.4Å; M194-V197 HydrophobicContact SD-CG1 4.43Å; M194-W198 HydrophobicContact CB-CH2 4.15Å; M194-W198 HydrophobicContact CB-CZ2 4.17Å; M194-W198 HydrophobicContact CB-CZ3 4.42Å; M194-W198 HydrophobicContact CE-CZ2 3.85Å; M194-W198 VanDerWaalsContact O-CD2 3.26Å; M194-W198 PolarHBondContact O-N 3.31Å |
| 195 | L | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 174.4 | -174.7 | 153.2 | 0 | 0 | 0 | 111.9 | L147 V151 L154 F168 L191 V192 L193 L199 | L147-L195 HydrophobicContact CD1-CD2 3.87Å; L147-L195 HydrophobicContact CD1-CG 3.7Å; L147-L195 WeakPolarHBondContact CD1-O 3.4Å; V151-L195 HydrophobicContact CG2-CD1 3.85Å; L154-L195 HydrophobicContact CD1-CD1 3.4Å; F168-L195 HydrophobicContact CD2-CD2 4.25Å; F168-L195 HydrophobicContact CE2-CD2 3.35Å; F168-L195 HydrophobicContact CE2-CG 4.48Å; F168-L195 HydrophobicContact CZ-CD2 3.55Å; L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 PolarHBondContact O-N 2.97Å; V192-L195 WeakPolarHBondContact O-CB 3.45Å; V192-L195 PolarHBondContact O-N 2.89Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.87Å; L195-L199 PolarHBondContact O-N 3.44Å; L195-L199 VanDerWaalsContact O-N 3.1Å |
| 196 | Y | 98.3 | Very high | 98 | Very high | 48 Ų | 48 | 37 Ų | 37 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.3 | -30.7 | 174.2 | -67.3 | -88.8 | 0 | 0 | 0 | 113.3 | F168 L171 L172 V192 L193 M194 L199 G200 | F168-Y196 HydrophobicContact CD1-CE1 4.27Å; F168-Y196 HydrophobicContact CE1-CD1 4.29Å; F168-Y196 AromaticContact CE1-CE1 3.79Å; F168-Y196 HydrophobicContact CE1-CE1 3.79Å; F168-Y196 HydrophobicContact CZ-CE1 4.34Å; F168-Y196 PolarHBondContact O-OH 3.47Å; L171-Y196 WeakPolarHBondContact CB-OH 3.28Å; L172-Y196 HydrophobicContact CB-CD2 3.89Å; L172-Y196 HydrophobicContact CB-CE1 4.22Å; L172-Y196 HydrophobicContact CB-CE2 3.43Å; L172-Y196 VanDerWaalsContact CB-CE2 3.43Å; L172-Y196 HydrophobicContact CB-CG 4.5Å; L172-Y196 HydrophobicContact CD1-CD2 4.25Å; L172-Y196 HydrophobicContact CD1-CE2 4.45Å; L172-Y196 HydrophobicContact CD2-CD1 4.49Å; L172-Y196 HydrophobicContact CD2-CD2 4.11Å; L172-Y196 HydrophobicContact CD2-CE2 4.48Å; L172-Y196 HydrophobicContact CD2-CG 4.14Å; L172-Y196 HydrophobicContact CG-CD2 4.32Å; L172-Y196 HydrophobicContact CG-CE2 4.32Å; L172-Y196 PolarHBondContact N-OH 3.48Å; V192-Y196 HydrophobicContact CG1-CD2 4.29Å; V192-Y196 HydrophobicContact CG1-CE2 3.85Å; V192-Y196 WeakPolarHBondContact O-CD2 3.47Å; V192-Y196 PolarHBondContact O-N 3.39Å; L193-Y196 PolarHBondContact O-N 3.06Å; M194-Y196 PolarHBondContact O-N 3.26Å; Y196-L199 PolarHBondContact O-N 3.42Å; Y196-G200 PolarHBondContact O-N 3.44Å |
| 197 | V | 98.1 | Very high | 98 | Very high | 40 Ų | 40 | 37 Ų | 37 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 172.4 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | Y14 L193 M194 G200 I201 | Y14-V197 WeakPolarHBondContact OH-CG1 3.37Å; L193-V197 WeakPolarHBondContact O-CG2 3.34Å; L193-V197 PolarHBondContact O-N 2.76Å; M194-V197 HydrophobicContact CE-CG1 4.49Å; M194-V197 WeakPolarHBondContact O-CB 3.44Å; M194-V197 PolarHBondContact O-N 3.24Å; M194-V197 HydrophobicContact SD-CB 4.4Å; M194-V197 HydrophobicContact SD-CG1 4.43Å; V197-G200 PolarHBondContact O-N 3.49Å; V197-I201 HydrophobicContact CG1-CD1 3.62Å; V197-I201 HydrophobicContact CG1-CG1 4.31Å; V197-I201 WeakPolarHBondContact O-CB 3.41Å; V197-I201 WeakPolarHBondContact O-CG1 3.34Å; V197-I201 PolarHBondContact O-N 3.28Å |
| 198 | W | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.9 | -65.9 | -40.2 | 0 | 0 | 0 | 111.8 | T22 F25 F30 C143 S146 M194 G200 G202 | T22-W198 HydrophobicContact CG2-CZ2 4.02Å; T22-W198 PolarHBondContact OG1-NE1 3.15Å; F25-W198 AromaticContact CD2-CH2 3.68Å; F25-W198 HydrophobicContact CD2-CH2 3.68Å; F25-W198 AromaticContact CD2-CZ2 3.83Å; F25-W198 HydrophobicContact CD2-CZ2 3.83Å; F25-W198 HydrophobicContact CE2-CH2 4.34Å; F30-W198 AromaticContact CE2-CH2 3.71Å; F30-W198 HydrophobicContact CE2-CH2 3.71Å; F30-W198 HydrophobicContact CE2-CZ3 4.14Å; F30-W198 AromaticContact CZ-CH2 3.6Å; F30-W198 HydrophobicContact CZ-CH2 3.6Å; F30-W198 AromaticContact CZ-CZ3 3.95Å; F30-W198 HydrophobicContact CZ-CZ3 3.95Å; C143-W198 HydrophobicContact CB-CB 4.24Å; C143-W198 VanDerWaalsContact CB-O 3.32Å; C143-W198 WeakPolarHBondContact CB-O 3.44Å; S146-W198 WeakPolarHBondContact O-CZ3 3.4Å; M194-W198 HydrophobicContact CB-CH2 4.15Å; M194-W198 HydrophobicContact CB-CZ2 4.17Å; M194-W198 HydrophobicContact CB-CZ3 4.42Å; M194-W198 HydrophobicContact CE-CZ2 3.85Å; M194-W198 VanDerWaalsContact O-CD2 3.26Å; M194-W198 PolarHBondContact O-N 3.31Å; W198-G200 PolarHBondContact O-N 3.44Å; W198-G202 PolarHBondContact O-N 2.99Å |
| 199 | L | 98.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58 | -48.9 | 175.1 | 180 | 64.6 | 0 | 0 | 0 | 111.3 | L147 F168 L195 Y196 G202 L203 | L147-L199 HydrophobicContact CD1-CB 4.19Å; L147-L199 HydrophobicContact CD2-CD1 4.25Å; F168-L199 HydrophobicContact CE1-CD2 3.51Å; F168-L199 HydrophobicContact CZ-CD2 3.68Å; L195-L199 PolarHBondContact O-N 3.44Å; L195-L199 VanDerWaalsContact O-N 3.1Å; Y196-L199 PolarHBondContact O-N 3.42Å; L199-G202 PolarHBondContact O-N 3.15Å; L199-L203 HydrophobicContact CD1-CD1 3.77Å; L199-L203 HydrophobicContact CD1-CG 3.98Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.43Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 2.95Å |
| 200 | G | 98 | Very high | 97.6 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -51.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y196 V197 W198 G202 V204 | Y196-G200 PolarHBondContact O-N 3.44Å; V197-G200 PolarHBondContact O-N 3.49Å; W198-G200 PolarHBondContact O-N 3.44Å; G200-G202 PolarHBondContact O-N 2.94Å; G200-V204 WeakPolarHBondContact O-CB 3.15Å; G200-V204 VanDerWaalsContact O-CG2 3.23Å; G200-V204 WeakPolarHBondContact O-CG2 3.29Å; G200-V204 PolarHBondContact O-N 2.9Å |
| 201 | I | 98 | Very high | 97.5 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 177.7 | -65.8 | 171.6 | 0 | 0 | 0 | 110.2 | Y14 A18 T139 V197 L203 V204 C205 | Y14-I201 HydrophobicContact CE1-CD1 4Å; Y14-I201 HydrophobicContact CE1-CG1 4.43Å; A18-I201 HydrophobicContact CB-CD1 4.42Å; T139-I201 HydrophobicContact CG2-CG2 3.76Å; V197-I201 HydrophobicContact CG1-CD1 3.62Å; V197-I201 HydrophobicContact CG1-CG1 4.31Å; V197-I201 WeakPolarHBondContact O-CB 3.41Å; V197-I201 WeakPolarHBondContact O-CG1 3.34Å; V197-I201 PolarHBondContact O-N 3.28Å; I201-L203 PolarHBondContact O-N 2.85Å; I201-V204 PolarHBondContact O-N 2.88Å; I201-C205 WeakPolarHBondContact O-CB 3.25Å; I201-C205 PolarHBondContact O-N 3.17Å; I201-C205 PolarHBondContact O-SG 3.44Å; I201-C205 VanDerWaalsContact O-SG 3.39Å |
| 202 | G | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S140 W198 L199 G200 C205 A206 | S140-G202 PolarHBondContact OG-O 3.33Å; W198-G202 PolarHBondContact O-N 2.99Å; L199-G202 PolarHBondContact O-N 3.15Å; G200-G202 PolarHBondContact O-N 2.94Å; G202-C205 PolarHBondContact O-N 3.09Å; G202-A206 WeakPolarHBondContact O-CB 3.37Å; G202-A206 PolarHBondContact O-N 2.8Å |
| 203 | L | 98.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 60% | 0.597 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.2 | -41.8 | 177.6 | -70.1 | 177.1 | 0 | 0 | 0 | 112.4 | L199 I201 A206 G207 | L199-L203 HydrophobicContact CD1-CD1 3.77Å; L199-L203 HydrophobicContact CD1-CG 3.98Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.43Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.26Å; L199-L203 PolarHBondContact O-N 2.95Å; I201-L203 PolarHBondContact O-N 2.85Å; L203-A206 PolarHBondContact O-N 2.95Å; L203-G207 PolarHBondContact O-N 3.13Å |
| 204 | V | 97.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | G200 I201 G207 F208 | G200-V204 WeakPolarHBondContact O-CB 3.15Å; G200-V204 VanDerWaalsContact O-CG2 3.23Å; G200-V204 WeakPolarHBondContact O-CG2 3.29Å; G200-V204 PolarHBondContact O-N 2.9Å; I201-V204 PolarHBondContact O-N 2.88Å; V204-G207 PolarHBondContact O-N 3.49Å; V204-F208 HydrophobicContact CG1-CD2 3.6Å; V204-F208 HydrophobicContact CG1-CE2 3.53Å; V204-F208 VanDerWaalsContact O-CD2 3.29Å; V204-F208 WeakPolarHBondContact O-CD2 3.46Å; V204-F208 PolarHBondContact O-N 2.67Å |
| 205 | C | 97.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 9% | 0.088 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.4 | -75 | 0 | 0 | 0 | 0 | 112.1 | C136 I201 G202 C209 | C136-C205 HydrophobicContact CB-CB 4.36Å; C136-C205 WeakPolarHBondContact O-CB 3.28Å; I201-C205 WeakPolarHBondContact O-CB 3.25Å; I201-C205 PolarHBondContact O-N 3.17Å; I201-C205 PolarHBondContact O-SG 3.44Å; I201-C205 VanDerWaalsContact O-SG 3.39Å; G202-C205 PolarHBondContact O-N 3.09Å; C205-C209 VanDerWaalsContact O-CB 3.26Å; C205-C209 WeakPolarHBondContact O-CB 3.12Å; C205-C209 PolarHBondContact O-N 3.26Å |
| 206 | A | 97.9 | Very high | 96.3 | Very high | 34 Ų | 34 | 44 Ų | 44 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G202 L203 C209 C210 | G202-A206 WeakPolarHBondContact O-CB 3.37Å; G202-A206 PolarHBondContact O-N 2.8Å; L203-A206 PolarHBondContact O-N 2.95Å; A206-C209 PolarHBondContact O-N 3.2Å; A206-C210 PolarHBondContact O-N 3.42Å; A206-C210 PolarHBondContact O-SG 3.43Å |
| 207 | G | 96.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L203 V204 C210 Q211 | L203-G207 PolarHBondContact O-N 3.13Å; V204-G207 PolarHBondContact O-N 3.49Å; G207-C210 PolarHBondContact O-N 3.37Å; G207-Q211 WeakPolarHBondContact O-CB 3.43Å; G207-Q211 PolarHBondContact O-N 3.25Å |
| 208 | F | 94.1 | Very high | 95.5 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.7 | -82 | -53.2 | 0 | 0 | 0 | 112.4 | V204 Q211 Q212 | V204-F208 HydrophobicContact CG1-CD2 3.6Å; V204-F208 HydrophobicContact CG1-CE2 3.53Å; V204-F208 VanDerWaalsContact O-CD2 3.29Å; V204-F208 WeakPolarHBondContact O-CD2 3.46Å; V204-F208 PolarHBondContact O-N 2.67Å; F208-Q211 PolarHBondContact O-N 3.4Å; F208-Q212 WeakPolarHBondContact O-CB 3.38Å; F208-Q212 WeakPolarHBondContact O-CG 3.35Å; F208-Q212 PolarHBondContact O-N 3.22Å |
| 209 | C | 95.7 | Very high | 95 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.7 | -51.9 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | C136 I137 C205 A206 Q211 Q212 V213 | C136-C209 HydrophobicContact CB-CB 3.92Å; I137-C209 HydrophobicContact CG1-CB 4.47Å; I137-C209 WeakPolarHBondContact CG1-SG 3.47Å; C205-C209 VanDerWaalsContact O-CB 3.26Å; C205-C209 WeakPolarHBondContact O-CB 3.12Å; C205-C209 PolarHBondContact O-N 3.26Å; A206-C209 PolarHBondContact O-N 3.2Å; C209-Q211 VanDerWaalsContact C-N 3.31Å; C209-Q211 PolarHBondContact O-N 2.83Å; C209-Q212 PolarHBondContact O-N 2.9Å; C209-V213 WeakPolarHBondContact O-CG2 3.49Å; C209-V213 PolarHBondContact O-N 3.29Å |
| 210 | C | 96.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 53% | 0.527 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 178.7 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | A206 G207 Q212 L214 | A206-C210 PolarHBondContact O-N 3.42Å; A206-C210 PolarHBondContact O-SG 3.43Å; G207-C210 PolarHBondContact O-N 3.37Å; C210-Q212 PolarHBondContact O-N 3.38Å; C210-L214 WeakPolarHBondContact O-CB 3.3Å; C210-L214 VanDerWaalsContact O-CG 3.24Å; C210-L214 WeakPolarHBondContact O-CG 3.44Å; C210-L214 PolarHBondContact O-N 2.9Å; C210-L214 VanDerWaalsContact O-N 3.07Å |
| 211 | Q | 94.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 177.7 | -175.7 | -177.2 | -4.3 | 0 | 0 | 111.9 | G207 F208 C209 L214 L215 Y222 | G207-Q211 WeakPolarHBondContact O-CB 3.43Å; G207-Q211 PolarHBondContact O-N 3.25Å; F208-Q211 PolarHBondContact O-N 3.4Å; C209-Q211 VanDerWaalsContact C-N 3.31Å; C209-Q211 PolarHBondContact O-N 2.83Å; Q211-L214 PolarHBondContact O-N 3.46Å; Q211-L215 HydrophobicContact CG-CD1 4.06Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 VanDerWaalsContact O-CG 3.31Å; Q211-L215 WeakPolarHBondContact O-CG 3.4Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q211-Y222 VanDerWaalsContact NE2-CD2 3.27Å; Q211-Y222 VanDerWaalsContact NE2-CE2 3.29Å |
| 212 | Q | 94.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.2 | -41.5 | -177.4 | -68.5 | -62.4 | -18 | 0 | 0 | 112.2 | D114 F132 I133 F208 C209 C210 L214 L215 V216 | D114-Q212 PolarHBondContact OD1-OE1 2.93Å; D114-Q212 PolarHBondContact OD2-NE2 3.41Å; D114-Q212 PolarHBondContact OD2-OE1 3.29Å; F132-Q212 HydrophobicContact CD1-CG 4.48Å; F132-Q212 HydrophobicContact CE1-CG 4.03Å; I133-Q212 HydrophobicContact CD1-CB 4.47Å; I133-Q212 HydrophobicContact CG1-CB 4.2Å; F208-Q212 WeakPolarHBondContact O-CB 3.38Å; F208-Q212 WeakPolarHBondContact O-CG 3.35Å; F208-Q212 PolarHBondContact O-N 3.22Å; C209-Q212 PolarHBondContact O-N 2.9Å; C210-Q212 PolarHBondContact O-N 3.38Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.35Å; Q212-L215 PolarHBondContact O-N 2.97Å; Q212-V216 WeakPolarHBondContact O-CB 3.42Å; Q212-V216 VanDerWaalsContact O-CG2 3.27Å; Q212-V216 WeakPolarHBondContact O-CG2 3.24Å; Q212-V216 PolarHBondContact O-N 3.07Å |
| 213 | V | 93.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 30% | 0.297 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I133 C209 A217 | I133-V213 HydrophobicContact CD1-CG2 4.37Å; I133-V213 HydrophobicContact CG2-CG2 4.02Å; C209-V213 WeakPolarHBondContact O-CG2 3.49Å; C209-V213 PolarHBondContact O-N 3.29Å; V213-A217 VanDerWaalsContact O-CB 3.26Å; V213-A217 WeakPolarHBondContact O-CB 3.22Å; V213-A217 PolarHBondContact O-N 3.4Å |
| 214 | L | 93.5 | Very high | 91.6 | Very high | 104 Ų | 104 | 47 Ų | 47 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.6 | -70.8 | 172.5 | 0 | 0 | 0 | 112.7 | C210 Q211 Q212 R218 | C210-L214 WeakPolarHBondContact O-CB 3.3Å; C210-L214 VanDerWaalsContact O-CG 3.24Å; C210-L214 WeakPolarHBondContact O-CG 3.44Å; C210-L214 PolarHBondContact O-N 2.9Å; C210-L214 VanDerWaalsContact O-N 3.07Å; Q211-L214 PolarHBondContact O-N 3.46Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.35Å; L214-R218 WeakPolarHBondContact O-CG 3.29Å; L214-R218 PolarHBondContact O-N 3.12Å |
| 215 | L | 92.3 | Very high | 91 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 176.7 | -75.2 | 174.7 | 0 | 0 | 0 | 111.4 | Q211 Q212 A217 R218 G219 Q220 Y222 M225 | Q211-L215 HydrophobicContact CG-CD1 4.06Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 VanDerWaalsContact O-CG 3.31Å; Q211-L215 WeakPolarHBondContact O-CG 3.4Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q212-L215 PolarHBondContact O-N 2.97Å; L215-A217 PolarHBondContact O-N 3.22Å; L215-R218 CarbonylContact O-C 3.57Å; L215-R218 PolarHBondContact O-N 2.87Å; L215-R218 VanDerWaalsContact O-N 3.12Å; L215-G219 PolarHBondContact O-N 3.48Å; L215-Q220 CarbonylContact C-O 3.47Å; L215-Q220 VanDerWaalsContact C-O 3.28Å; L215-Q220 WeakPolarHBondContact CB-O 3.42Å; L215-Q220 PolarHBondContact O-N 3.34Å; L215-Q220 VanDerWaalsContact O-O 3.05Å; L215-Y222 HydrophobicContact CD1-CD2 4.28Å; L215-M225 HydrophobicContact CD2-CB 4Å; L215-M225 HydrophobicContact CD2-CG 4.19Å; L215-M225 HydrophobicContact CD2-SD 4.3Å |
| 216 | V | 91.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | M129 I133 Q212 R218 G219 N240 L241 V244 | M129-V216 HydrophobicContact CG-CG2 4.03Å; I133-V216 HydrophobicContact CD1-CG2 4.37Å; Q212-V216 WeakPolarHBondContact O-CB 3.42Å; Q212-V216 VanDerWaalsContact O-CG2 3.27Å; Q212-V216 WeakPolarHBondContact O-CG2 3.24Å; Q212-V216 PolarHBondContact O-N 3.07Å; V216-R218 PolarHBondContact O-N 2.88Å; V216-R218 VanDerWaalsContact O-N 3.14Å; V216-G219 PolarHBondContact O-N 3.02Å; V216-N240 WeakPolarHBondContact O-CB 3.2Å; V216-L241 HydrophobicContact CG1-CD2 3.86Å; V216-V244 HydrophobicContact CG1-CB 4.04Å; V216-V244 HydrophobicContact CG1-CG2 3.55Å; V216-V244 HydrophobicContact CG2-CG2 4.17Å |
| 217 | A | 91.1 | Very high | 89.1 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -31.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V213 L215 G219 W237 N240 | V213-A217 VanDerWaalsContact O-CB 3.26Å; V213-A217 WeakPolarHBondContact O-CB 3.22Å; V213-A217 PolarHBondContact O-N 3.4Å; L215-A217 PolarHBondContact O-N 3.22Å; A217-G219 VanDerWaalsContact C-N 3.34Å; A217-W237 HydrophobicContact CB-CB 4.27Å; A217-W237 VanDerWaalsContact O-CA 3.32Å; A217-W237 WeakPolarHBondContact O-CA 3.48Å; A217-W237 WeakPolarHBondContact O-CB 3.34Å; A217-N240 PolarHBondContact O-ND2 3.49Å; A217-N240 VanDerWaalsContact O-ND2 3.09Å |
| 218 | R | 89.5 | Confident | 88.1 | Confident | 162 Ų | 162 | 56.3 Ų | 56.3 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.3 | 175.4 | -69 | 174.9 | -179.3 | -176.3 | 0.5 | 114.3 | L214 L215 V216 Q220 | L214-R218 WeakPolarHBondContact O-CG 3.29Å; L214-R218 PolarHBondContact O-N 3.12Å; L215-R218 CarbonylContact O-C 3.57Å; L215-R218 PolarHBondContact O-N 2.87Å; L215-R218 VanDerWaalsContact O-N 3.12Å; V216-R218 PolarHBondContact O-N 2.88Å; V216-R218 VanDerWaalsContact O-N 3.14Å; R218-Q220 HydrophobicContact CB-CB 4.27Å; R218-Q220 PolarHBondContact O-N 2.89Å |
| 219 | G | 87.3 | Confident | 87 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 24 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | L215 V216 A217 N240 | L215-G219 PolarHBondContact O-N 3.48Å; V216-G219 PolarHBondContact O-N 3.02Å; A217-G219 VanDerWaalsContact C-N 3.34Å; G219-N240 PolarHBondContact N-ND2 3.15Å |
| 220 | Q | 86.9 | Confident | 85.6 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | trans | -118.1 | 141.4 | -172.3 | -167.5 | -179.4 | 7.1 | 0 | 0 | 110.8 | L215 R218 Q224 M225 Q229 V231 | L215-Q220 CarbonylContact C-O 3.47Å; L215-Q220 VanDerWaalsContact C-O 3.28Å; L215-Q220 WeakPolarHBondContact CB-O 3.42Å; L215-Q220 PolarHBondContact O-N 3.34Å; L215-Q220 VanDerWaalsContact O-O 3.05Å; R218-Q220 HydrophobicContact CB-CB 4.27Å; R218-Q220 PolarHBondContact O-N 2.89Å; Q220-Q224 HydrophobicContact CG-CB 4.03Å; Q220-M225 VanDerWaalsContact NE2-CA 3.31Å; Q220-Q229 PolarHBondContact NE2-O 3.37Å; Q220-V231 HydrophobicContact CG-CG2 4.28Å | ||
| 221 | T | 86.3 | Confident | 84.2 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | trans | -91.2 | 155 | 171.7 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | R112 C223 Q224 M225 | R112-T221 HydrophobicContact CB-CG2 4.41Å; T221-C223 PolarHBondContact O-N 3.26Å; T221-Q224 PolarHBondContact O-N 3.45Å; T221-Q224 VanDerWaalsContact O-N 3.1Å; T221-Q224 VanDerWaalsContact OG1-CD 3.27Å; T221-Q224 VanDerWaalsContact OG1-CG 3.26Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.38Å; T221-Q224 PolarHBondContact OG1-N 2.76Å; T221-Q224 PolarHBondContact OG1-OE1 2.83Å; T221-M225 PolarHBondContact O-N 3.48Å | ||
| 222 | Y | 85.6 | Confident | 82.7 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56 | -37.6 | 173 | 179.4 | -100.2 | 0 | 0 | 0 | 112.2 | D114 H115 Q211 L215 Q224 M225 K226 | D114-Y222 VanDerWaalsContact OD1-CB 3.29Å; D114-Y222 WeakPolarHBondContact OD1-CB 3.43Å; D114-Y222 PolarHBondContact OD1-N 3.36Å; D114-Y222 WeakPolarHBondContact OD2-CB 3.48Å; H115-Y222 HydrophobicContact CB-CD1 4.3Å; Q211-Y222 VanDerWaalsContact NE2-CD2 3.27Å; Q211-Y222 VanDerWaalsContact NE2-CE2 3.29Å; L215-Y222 HydrophobicContact CD1-CD2 4.28Å; Y222-Q224 PolarHBondContact O-N 3.28Å; Y222-M225 HydrophobicContact CD2-CE 3.48Å; Y222-M225 VanDerWaalsContact CD2-CE 3.48Å; Y222-M225 HydrophobicContact CD2-SD 4.31Å; Y222-M225 HydrophobicContact CE2-CE 3.38Å; Y222-M225 HydrophobicContact CE2-SD 4.49Å; Y222-M225 HydrophobicContact CG-CE 4.3Å; Y222-M225 PolarHBondContact O-N 3.31Å; Y222-K226 HydrophobicContact CE1-CD 4.19Å; Y222-K226 WeakPolarHBondContact O-CB 3.45Å; Y222-K226 PolarHBondContact O-N 2.72Å |
| 223 | C | 80.5 | Confident | 81.4 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 10% | 0.095 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.7 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | D114 T221 R227 | D114-C223 PolarHBondContact O-N 2.82Å; T221-C223 PolarHBondContact O-N 3.26Å; C223-R227 WeakPolarHBondContact O-CG 3.48Å; C223-R227 PolarHBondContact O-N 3.42Å |
| 224 | Q | 80.5 | Confident | 80.2 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 176.1 | -72.6 | 163.3 | -41.2 | 0 | 0 | 111.3 | Q220 T221 Y222 K226 R227 G228 Q229 V231 | Q220-Q224 HydrophobicContact CG-CB 4.03Å; T221-Q224 PolarHBondContact O-N 3.45Å; T221-Q224 VanDerWaalsContact O-N 3.1Å; T221-Q224 VanDerWaalsContact OG1-CD 3.27Å; T221-Q224 VanDerWaalsContact OG1-CG 3.26Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.38Å; T221-Q224 PolarHBondContact OG1-N 2.76Å; T221-Q224 PolarHBondContact OG1-OE1 2.83Å; Y222-Q224 PolarHBondContact O-N 3.28Å; Q224-K226 VanDerWaalsContact C-N 3.34Å; Q224-K226 PolarHBondContact O-N 3.33Å; Q224-R227 PolarHBondContact O-N 3.25Å; Q224-R227 VanDerWaalsContact O-N 3.15Å; Q224-G228 PolarHBondContact O-N 3.23Å; Q224-Q229 HydrophobicContact CB-CB 4.32Å; Q224-Q229 PolarHBondContact O-N 2.99Å; Q224-V231 HydrophobicContact CB-CG2 4.43Å; Q224-V231 HydrophobicContact CG-CG2 4.45Å |
| 225 | M | 84.8 | Confident | 79.6 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 176.6 | 177.8 | -132.7 | 59 | 0 | 0 | 111.5 | L215 Q220 T221 Y222 R227 G228 | L215-M225 HydrophobicContact CD2-CB 4Å; L215-M225 HydrophobicContact CD2-CG 4.19Å; L215-M225 HydrophobicContact CD2-SD 4.3Å; Q220-M225 VanDerWaalsContact NE2-CA 3.31Å; T221-M225 PolarHBondContact O-N 3.48Å; Y222-M225 HydrophobicContact CD2-CE 3.48Å; Y222-M225 VanDerWaalsContact CD2-CE 3.48Å; Y222-M225 HydrophobicContact CD2-SD 4.31Å; Y222-M225 HydrophobicContact CE2-CE 3.38Å; Y222-M225 HydrophobicContact CE2-SD 4.49Å; Y222-M225 HydrophobicContact CG-CE 4.3Å; Y222-M225 PolarHBondContact O-N 3.31Å; M225-R227 PolarHBondContact O-N 3.5Å; M225-G228 PolarHBondContact O-N 3.12Å |
| 226 | K | 81.4 | Confident | 79.5 | Confident | 158 Ų | 158 | 73.3 Ų | 73.3 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.1 | -26.7 | -179.8 | -171.3 | 178.7 | 178.3 | -176.9 | 0 | 113 | Y222 Q224 G228 | Y222-K226 HydrophobicContact CE1-CD 4.19Å; Y222-K226 WeakPolarHBondContact O-CB 3.45Å; Y222-K226 PolarHBondContact O-N 2.72Å; Q224-K226 VanDerWaalsContact C-N 3.34Å; Q224-K226 PolarHBondContact O-N 3.33Å; K226-G228 VanDerWaalsContact C-N 3.32Å |
| 227 | R | 73.9 | Confident | 79.3 | Confident | 74 Ų | 74 | 80 Ų | 80 | 28% | 0.279 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 0.6 | 176.3 | -68 | 178.9 | -174.3 | -162.1 | 7.4 | 113.2 | D92 C223 Q224 M225 Q229 | D92-R227 VanDerWaalsContact CB-NH2 3.26Å; D92-R227 IonicContact OD1-NH2 2.66Å; D92-R227 IonicContact OD2-CZ 3.74Å; D92-R227 IonicContact OD2-NE 3.76Å; D92-R227 IonicContact OD2-NH2 3.95Å; D92-R227 PolarHBondContact OD2-NH2 2.99Å; C223-R227 WeakPolarHBondContact O-CG 3.48Å; C223-R227 PolarHBondContact O-N 3.42Å; Q224-R227 PolarHBondContact O-N 3.25Å; Q224-R227 VanDerWaalsContact O-N 3.15Å; M225-R227 PolarHBondContact O-N 3.5Å; R227-Q229 HydrophobicContact CB-CG 4.19Å; R227-Q229 PolarHBondContact O-N 2.74Å |
| 228 | G | 76.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 17.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q224 M225 K226 L230 | Q224-G228 PolarHBondContact O-N 3.23Å; M225-G228 PolarHBondContact O-N 3.12Å; K226-G228 VanDerWaalsContact C-N 3.32Å; G228-L230 PolarHBondContact O-N 3.48Å |
| 229 | Q | 71.1 | Confident | 79.1 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 35% | 0.35 | 44% | 0.435 | S | S | . | . | trans | -79.1 | 108.3 | 176.5 | -68.8 | 179.6 | -26.8 | 0 | 0 | 109 | Q220 Q224 R227 | Q220-Q229 PolarHBondContact NE2-O 3.37Å; Q224-Q229 HydrophobicContact CB-CB 4.32Å; Q224-Q229 PolarHBondContact O-N 2.99Å; R227-Q229 HydrophobicContact CB-CG 4.19Å; R227-Q229 PolarHBondContact O-N 2.74Å | ||
| 230 | L | 66.2 | Low | 79.2 | Confident | 163 Ų | 163 | 80.8 Ų | 80.8 | 85% | 0.853 | 42% | 0.423 | S | S | * | . | trans | -77.3 | 118.7 | 168.4 | -66.5 | 171.6 | 0 | 0 | 0 | 107.9 | G228 | G228-L230 PolarHBondContact O-N 3.48Š| ||
| 231 | V | 67.2 | Low | 79.3 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 35% | 0.345 | 43% | 0.428 | S | S | . | . | trans | -97.6 | 116.9 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 107.2 | Q220 Q224 S233 | Q220-V231 HydrophobicContact CG-CG2 4.28Å; Q224-V231 HydrophobicContact CB-CG2 4.43Å; Q224-V231 HydrophobicContact CG-CG2 4.45Å; V231-S233 PolarHBondContact O-N 2.67Å | ||
| 232 | E | 63.7 | Low | 79.3 | Confident | 187 Ų | 187 | 83.5 Ų | 83.5 | 87% | 0.874 | 44% | 0.443 | S | S | * | . | trans | -74.1 | 103.1 | 166.6 | -71.9 | -174.4 | 166 | 0 | 0 | 108.2 | C234 | E232-C234 PolarHBondContact O-N 3.42Š| ||
| 233 | S | 66.6 | Low | 79.4 | Confident | 44 Ų | 44 | 83.7 Ų | 83.7 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | trans | -80.4 | 113.2 | 173.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | V231 S235 N240 | V231-S233 PolarHBondContact O-N 2.67Å; S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-N 3.09Å; S233-S235 PolarHBondContact OG-O 3.3Å; S233-S235 PolarHBondContact OG-OG 3.09Å; S233-N240 PolarHBondContact OG-ND2 2.96Å | ||
| 234 | C | 68.8 | Low | 79.8 | Confident | 143 Ų | 143 | 83.6 Ų | 83.6 | 97% | 0.966 | 45% | 0.448 | S | S | * | . | trans | -71.7 | -17.1 | 169.5 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | E232 | E232-C234 PolarHBondContact O-N 3.42Š| ||
| 235 | S | 81 | Confident | 80.1 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 37% | 0.371 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -85.7 | 149.6 | 177.8 | 42.8 | 0 | 0 | 0 | 0 | 112.2 | S233 N240 | S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-N 3.09Å; S233-S235 PolarHBondContact OG-O 3.3Å; S233-S235 PolarHBondContact OG-OG 3.09Å; S235-N240 WeakPolarHBondContact CB-OD1 3.47Å; S235-N240 PolarHBondContact OG-OD1 3.18Å |
| 236 | S | 88.7 | Confident | 80.1 | Confident | 51 Ų | 51 | 80 Ų | 80 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | trans | -72.4 | 159.1 | 175.3 | 79.5 | 0 | 0 | 0 | 0 | 111.2 | K238 D239 N240 | S236-K238 PolarHBondContact O-N 3.47Å; S236-K238 VanDerWaalsContact O-N 3.15Å; S236-K238 PolarHBondContact OG-N 2.86Å; S236-D239 VanDerWaalsContact CB-OD2 3.31Å; S236-D239 WeakPolarHBondContact CB-OD2 3.26Å; S236-D239 PolarHBondContact N-OD2 2.63Å; S236-D239 VanDerWaalsContact N-OD2 3.08Å; S236-D239 PolarHBondContact O-N 3.14Å; S236-D239 VanDerWaalsContact O-N 3.07Å; S236-D239 PolarHBondContact OG-N 3.22Å; S236-D239 PolarHBondContact OG-OD2 3.08Å; S236-N240 PolarHBondContact O-N 3.34Å; S236-N240 VanDerWaalsContact O-N 3.09Å; S236-N240 PolarHBondContact O-ND2 3.24Å | ||
| 237 | W | 89.1 | Confident | 79.8 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.5 | -29 | 176.6 | 66.9 | -94.8 | 0 | 0 | 0 | 113.1 | A217 L241 | A217-W237 HydrophobicContact CB-CB 4.27Å; A217-W237 VanDerWaalsContact O-CA 3.32Å; A217-W237 WeakPolarHBondContact O-CA 3.48Å; A217-W237 WeakPolarHBondContact O-CB 3.34Å; W237-L241 HydrophobicContact CE3-CD1 3.65Å; W237-L241 HydrophobicContact CZ3-CD1 3.77Å; W237-L241 WeakPolarHBondContact O-CG 3.45Å; W237-L241 PolarHBondContact O-N 3.3Å; W237-L241 VanDerWaalsContact O-N 3.12Å |
| 238 | K | 88.7 | Confident | 80 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.3 | -43.3 | 176.5 | -68.7 | -177.7 | 178.5 | 178.8 | 0 | 111.2 | S236 N240 L241 S242 | S236-K238 PolarHBondContact O-N 3.47Å; S236-K238 VanDerWaalsContact O-N 3.15Å; S236-K238 PolarHBondContact OG-N 2.86Å; K238-N240 VanDerWaalsContact C-N 3.3Å; K238-N240 PolarHBondContact O-N 3.07Å; K238-L241 PolarHBondContact O-N 2.74Å; K238-S242 WeakPolarHBondContact O-CB 3.41Å; K238-S242 PolarHBondContact O-N 2.82Å |
| 239 | D | 87.6 | Confident | 80.3 | Confident | 90 Ų | 90 | 82.8 Ų | 82.8 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.7 | -54.5 | -40.1 | 0 | 0 | 0 | 110.3 | S236 L241 S242 D243 | S236-D239 VanDerWaalsContact CB-OD2 3.31Å; S236-D239 WeakPolarHBondContact CB-OD2 3.26Å; S236-D239 PolarHBondContact N-OD2 2.63Å; S236-D239 VanDerWaalsContact N-OD2 3.08Å; S236-D239 PolarHBondContact O-N 3.14Å; S236-D239 VanDerWaalsContact O-N 3.07Å; S236-D239 PolarHBondContact OG-N 3.22Å; S236-D239 PolarHBondContact OG-OD2 3.08Å; D239-L241 PolarHBondContact O-N 2.72Å; D239-S242 WeakPolarHBondContact O-CB 3.2Å; D239-S242 PolarHBondContact O-N 2.89Å; D239-D243 WeakPolarHBondContact O-CB 3.29Å; D239-D243 PolarHBondContact O-N 3.43Å |
| 240 | N | 89.2 | Confident | 80.9 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.9 | -63 | -26.3 | 0 | 0 | 0 | 112.6 | V216 A217 G219 S233 S235 S236 K238 V244 | V216-N240 WeakPolarHBondContact O-CB 3.2Å; A217-N240 PolarHBondContact O-ND2 3.49Å; A217-N240 VanDerWaalsContact O-ND2 3.09Å; G219-N240 PolarHBondContact N-ND2 3.15Å; S233-N240 PolarHBondContact OG-ND2 2.96Å; S235-N240 WeakPolarHBondContact CB-OD1 3.47Å; S235-N240 PolarHBondContact OG-OD1 3.18Å; S236-N240 PolarHBondContact O-N 3.34Å; S236-N240 VanDerWaalsContact O-N 3.09Å; S236-N240 PolarHBondContact O-ND2 3.24Å; K238-N240 VanDerWaalsContact C-N 3.3Å; K238-N240 PolarHBondContact O-N 3.07Å; N240-V244 PolarHBondContact O-N 3.32Å |
| 241 | L | 88.4 | Confident | 81.8 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 173.3 | -74 | 172.4 | 0 | 0 | 0 | 111.5 | V216 W237 K238 D239 D243 V244 F245 | V216-L241 HydrophobicContact CG1-CD2 3.86Å; W237-L241 HydrophobicContact CE3-CD1 3.65Å; W237-L241 HydrophobicContact CZ3-CD1 3.77Å; W237-L241 WeakPolarHBondContact O-CG 3.45Å; W237-L241 PolarHBondContact O-N 3.3Å; W237-L241 VanDerWaalsContact O-N 3.12Å; K238-L241 PolarHBondContact O-N 2.74Å; D239-L241 PolarHBondContact O-N 2.72Å; L241-D243 VanDerWaalsContact C-N 3.29Å; L241-D243 PolarHBondContact O-N 3.49Å; L241-V244 PolarHBondContact O-N 3.32Å; L241-F245 HydrophobicContact CD2-CD2 4.35Å; L241-F245 HydrophobicContact CD2-CE2 3.89Å; L241-F245 VanDerWaalsContact O-CD2 3.28Å; L241-F245 WeakPolarHBondContact O-CD2 3.41Å; L241-F245 PolarHBondContact O-N 2.85Å |
| 242 | S | 87.4 | Confident | 82.6 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 177 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | K238 D239 V244 G246 | K238-S242 WeakPolarHBondContact O-CB 3.41Å; K238-S242 PolarHBondContact O-N 2.82Å; D239-S242 WeakPolarHBondContact O-CB 3.2Å; D239-S242 PolarHBondContact O-N 2.89Å; S242-V244 VanDerWaalsContact C-N 3.31Å; S242-V244 PolarHBondContact O-N 3.27Å; S242-G246 VanDerWaalsContact O-CA 3.29Å; S242-G246 WeakPolarHBondContact O-CA 3.31Å; S242-G246 PolarHBondContact O-N 3.29Å |
| 243 | D | 85.9 | Confident | 83.7 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 176.5 | -171.1 | 43.9 | 0 | 0 | 0 | 112.5 | R112 D239 L241 | R112-D243 IonicContact CZ-OD2 3.74Å; R112-D243 IonicContact NH1-OD2 2.72Å; R112-D243 PolarHBondContact NH1-OD2 3.37Å; R112-D243 IonicContact NH2-OD2 2.76Å; D239-D243 WeakPolarHBondContact O-CB 3.29Å; D239-D243 PolarHBondContact O-N 3.43Å; L241-D243 VanDerWaalsContact C-N 3.29Å; L241-D243 PolarHBondContact O-N 3.49Å |
| 244 | V | 88.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -81.6 | -43.9 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 112.6 | M129 R130 V216 N240 L241 S242 V260 | M129-V244 HydrophobicContact CB-CG1 3.95Å; M129-V244 HydrophobicContact CG-CG1 3.76Å; M129-V244 HydrophobicContact CG-CG2 4.45Å; R130-V244 HydrophobicContact CB-CG1 4.11Å; R130-V244 WeakPolarHBondContact CB-O 3.34Å; V216-V244 HydrophobicContact CG1-CB 4.04Å; V216-V244 HydrophobicContact CG1-CG2 3.55Å; V216-V244 HydrophobicContact CG2-CG2 4.17Å; N240-V244 PolarHBondContact O-N 3.32Å; L241-V244 PolarHBondContact O-N 3.32Å; S242-V244 VanDerWaalsContact C-N 3.31Å; S242-V244 PolarHBondContact O-N 3.27Å; V244-V260 WeakPolarHBondContact O-CG2 3.26Å |
| 245 | F | 88.3 | Confident | 86 | Confident | 22 Ų | 22 | 69 Ų | 69 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -91.5 | -15.7 | -171.3 | -69.7 | -106.6 | 0 | 0 | 0 | 113.6 | R130 I133 M134 L241 W249 T259 | R130-F245 HydrophobicContact CG-CD1 4.11Å; I133-F245 HydrophobicContact CB-CZ 4.34Å; I133-F245 HydrophobicContact CD1-CE2 4.06Å; I133-F245 HydrophobicContact CD1-CZ 3.85Å; I133-F245 HydrophobicContact CG2-CE1 4.43Å; I133-F245 HydrophobicContact CG2-CZ 3.97Å; M134-F245 HydrophobicContact CE-CD1 3.6Å; M134-F245 HydrophobicContact CE-CE1 3.31Å; L241-F245 HydrophobicContact CD2-CD2 4.35Å; L241-F245 HydrophobicContact CD2-CE2 3.89Å; L241-F245 VanDerWaalsContact O-CD2 3.28Å; L241-F245 WeakPolarHBondContact O-CD2 3.41Å; L241-F245 PolarHBondContact O-N 2.85Å; F245-W249 HydrophobicContact CB-CB 3.65Å; F245-T259 PolarHBondContact O-OG1 3.05Å |
| 246 | G | 83.9 | Confident | 86.5 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | trans | 79.4 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S242 H248 W249 | S242-G246 VanDerWaalsContact O-CA 3.29Å; S242-G246 WeakPolarHBondContact O-CA 3.31Å; S242-G246 PolarHBondContact O-N 3.29Å; G246-H248 PolarHBondContact O-N 3.1Å; G246-W249 WeakPolarHBondContact O-CB 3.49Å; G246-W249 PolarHBondContact O-N 3Å | ||
| 247 | S | 75.6 | Confident | 86.4 | Confident | 91 Ų | 91 | 68 Ų | 68 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.5 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 248 | H | 78.9 | Confident | 86.2 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 57% | 0.569 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 33.2 | 179.6 | -57.9 | 92.1 | 0 | 0 | 0 | 112.9 | G246 A250 V251 G252 T259 | G246-H248 PolarHBondContact O-N 3.1Å; H248-A250 PolarHBondContact O-N 3.48Å; H248-A250 VanDerWaalsContact O-N 3.11Å; H248-V251 PolarHBondContact O-N 3.41Å; H248-G252 PolarHBondContact O-N 2.91Å; H248-T259 HydrophobicContact CB-CG2 4.41Å; H248-T259 WeakPolarHBondContact O-CG2 3.36Å |
| 249 | W | 80.7 | Confident | 85.5 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.5 | -33.4 | -175 | 63.2 | -83.4 | 0 | 0 | 0 | 114 | F245 G246 V251 G252 L253 | F245-W249 HydrophobicContact CB-CB 3.65Å; G246-W249 WeakPolarHBondContact O-CB 3.49Å; G246-W249 PolarHBondContact O-N 3Å; W249-V251 PolarHBondContact O-N 3.39Å; W249-G252 CarbonylContact O-C 3.52Å; W249-G252 WeakPolarHBondContact O-CA 3.44Å; W249-G252 PolarHBondContact O-N 3.46Å; W249-G252 VanDerWaalsContact O-N 3.1Å; W249-L253 HydrophobicContact CE3-CD1 3.38Å; W249-L253 HydrophobicContact CE3-CG 4.21Å; W249-L253 HydrophobicContact CZ3-CD1 3.39Å; W249-L253 PolarHBondContact O-N 3.49Å |
| 250 | A | 84.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H248 G252 L253 F254 | H248-A250 PolarHBondContact O-N 3.48Å; H248-A250 VanDerWaalsContact O-N 3.11Å; A250-G252 PolarHBondContact O-N 3.46Å; A250-L253 WeakPolarHBondContact O-CB 3.42Å; A250-L253 PolarHBondContact O-N 2.88Å; A250-F254 WeakPolarHBondContact O-CD2 3.18Å |
| 251 | V | 85.5 | Confident | 83.4 | Confident | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | H248 W249 L253 F254 L255 V257 | H248-V251 PolarHBondContact O-N 3.41Å; W249-V251 PolarHBondContact O-N 3.39Å; V251-L253 PolarHBondContact O-N 3.41Å; V251-F254 PolarHBondContact O-N 3.46Å; V251-F254 VanDerWaalsContact O-N 3.15Å; V251-L255 HydrophobicContact CG1-CD1 4.49Å; V251-L255 PolarHBondContact O-N 3.4Å; V251-V257 HydrophobicContact CG1-CG2 3.69Å |
| 252 | G | 83.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.1 | -11.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R130 H248 W249 A250 | R130-G252 PolarHBondContact NH2-O 2.67Å; R130-G252 VanDerWaalsContact NH2-O 3.09Å; H248-G252 PolarHBondContact O-N 2.91Å; W249-G252 CarbonylContact O-C 3.52Å; W249-G252 WeakPolarHBondContact O-CA 3.44Å; W249-G252 PolarHBondContact O-N 3.46Å; W249-G252 VanDerWaalsContact O-N 3.1Å; A250-G252 PolarHBondContact O-N 3.46Å |
| 253 | L | 87.5 | Confident | 79.7 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.6 | -34.5 | 169.6 | -77.4 | 167.7 | 0 | 0 | 0 | 112.2 | M134 Y138 W249 A250 V251 | M134-L253 HydrophobicContact CE-CB 4.38Å; M134-L253 HydrophobicContact CE-CD2 3.24Å; M134-L253 HydrophobicContact CE-CG 3.89Å; M134-L253 HydrophobicContact SD-CD2 4.04Å; Y138-L253 VanDerWaalsContact CE2-O 3.27Å; Y138-L253 WeakPolarHBondContact CE2-O 3.37Å; Y138-L253 PolarHBondContact OH-O 2.97Å; W249-L253 HydrophobicContact CE3-CD1 3.38Å; W249-L253 HydrophobicContact CE3-CG 4.21Å; W249-L253 HydrophobicContact CZ3-CD1 3.39Å; W249-L253 PolarHBondContact O-N 3.49Å; A250-L253 WeakPolarHBondContact O-CB 3.42Å; A250-L253 PolarHBondContact O-N 2.88Å; V251-L253 PolarHBondContact O-N 3.41Å |
| 254 | F | 91.1 | Very high | 77.2 | Confident | 126 Ų | 126 | 72.5 Ų | 72.5 | 55% | 0.553 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -102.8 | -20.8 | -172.2 | -61.5 | -75.2 | 0 | 0 | 0 | 113.7 | Y55 N59 A250 V251 | Y55-F254 WeakPolarHBondContact CE2-O 3.47Å; Y55-F254 WeakPolarHBondContact OH-CA 3.32Å; Y55-F254 PolarHBondContact OH-O 3.34Å; N59-F254 PolarHBondContact ND2-O 3.23Å; N59-F254 PolarHBondContact OD1-O 2.97Å; N59-F254 VanDerWaalsContact OD1-O 3.07Å; A250-F254 WeakPolarHBondContact O-CD2 3.18Å; V251-F254 PolarHBondContact O-N 3.46Å; V251-F254 VanDerWaalsContact O-N 3.15Å |
| 255 | L | 91.8 | Very high | 74.8 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -134.6 | 144.5 | -177.5 | -64.3 | 173.5 | 0 | 0 | 0 | 111.9 | V251 V257 | V251-L255 HydrophobicContact CG1-CD1 4.49Å; V251-L255 PolarHBondContact O-N 3.4Å; L255-V257 HydrophobicContact CB-CG1 4.05Å; L255-V257 HydrophobicContact CB-CG2 4.23Å; L255-V257 PolarHBondContact O-N 3.11Å |
| 256 | P | 90.7 | Very high | 72.2 | Confident | 26 Ų | 26 | 82.9 Ų | 82.9 | 17% | 0.169 | 46% | 0.458 | C | S | . | . | trans | -78.8 | 59.2 | 176.7 | 35 | -36.3 | 0 | 0 | 0 | 111.2 | N59 G62 M66 | N59-P256 WeakPolarHBondContact OD1-CD 3.34Å; G62-P256 VanDerWaalsContact C-CB 3.45Å; M66-P256 HydrophobicContact CG-CB 4.41Å | ||
| 257 | V | 88.5 | Confident | 69.7 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 35% | 0.345 | 49% | 0.488 | S | S | . | . | trans | -109.8 | 161 | -179.4 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | R130 V251 L255 T259 | R130-V257 VanDerWaalsContact CZ-O 3.24Å; R130-V257 PolarHBondContact NH1-O 3.23Å; R130-V257 PolarHBondContact NH2-O 2.98Å; V251-V257 HydrophobicContact CG1-CG2 3.69Å; L255-V257 HydrophobicContact CB-CG1 4.05Å; L255-V257 HydrophobicContact CB-CG2 4.23Å; L255-V257 PolarHBondContact O-N 3.11Å; V257-T259 HydrophobicContact CG2-CG2 4.15Å; V257-T259 PolarHBondContact O-N 3.06Å | ||
| 258 | Q | 83.9 | Confident | 67.7 | Low | 90 Ų | 90 | 88.7 Ų | 88.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | trans | -71.1 | 124.9 | 173.6 | -173.7 | 176 | -0.4 | 0 | 0 | 110.3 | M66 Y70 Y131 V260 | M66-Q258 HydrophobicContact CE-CB 4.34Å; Y70-Q258 PolarHBondContact OH-OE1 2.66Å; Y70-Q258 VanDerWaalsContact OH-OE1 3.13Å; Y131-Q258 WeakPolarHBondContact OH-CA 3.37Å; Q258-V260 WeakPolarHBondContact CG-O 3.31Å; Q258-V260 PolarHBondContact NE2-O 3.44Å; Q258-V260 VanDerWaalsContact NE2-O 3.09Å | ||
| 259 | T | 73.4 | Confident | 65.5 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 7% | 0.067 | 51% | 0.509 | C | S | . | . | trans | -126.7 | -6.6 | 175.9 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | R130 F245 H248 V257 | R130-T259 VanDerWaalsContact CD-OG1 3.29Å; R130-T259 WeakPolarHBondContact CD-OG1 3.36Å; R130-T259 PolarHBondContact NE-OG1 3.24Å; R130-T259 VanDerWaalsContact NE-OG1 3.12Å; R130-T259 PolarHBondContact NH1-OG1 3.15Å; F245-T259 PolarHBondContact O-OG1 3.05Å; H248-T259 HydrophobicContact CB-CG2 4.41Å; H248-T259 WeakPolarHBondContact O-CG2 3.36Å; V257-T259 HydrophobicContact CG2-CG2 4.15Å; V257-T259 PolarHBondContact O-N 3.06Å | ||
| 260 | V | 68.6 | Low | 63.2 | Low | 39 Ų | 39 | 89 Ų | 89 | 24% | 0.236 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -106.7 | 118.6 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 105.8 | V244 Q258 A262 | V244-V260 WeakPolarHBondContact O-CG2 3.26Å; Q258-V260 WeakPolarHBondContact CG-O 3.31Å; Q258-V260 PolarHBondContact NE2-O 3.44Å; Q258-V260 VanDerWaalsContact NE2-O 3.09Å; V260-A262 PolarHBondContact O-N 3Å |
| 261 | E | 63.8 | Low | 60.6 | Low | 163 Ų | 163 | 94.7 Ų | 94.7 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | trans | -59.9 | 121.1 | 168.5 | -72.5 | -178.9 | 175 | 0 | 0 | 107.2 | F263 | E261-F263 PolarHBondContact O-N 3.32Š| ||
| 262 | A | 54 | Low | 58.1 | Low | 60 Ų | 60 | 100.1 Ų | 100.1 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | trans | -65.4 | 107.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | V260 S264 | V260-A262 PolarHBondContact O-N 3Å; A262-S264 VanDerWaalsContact C-N 3.3Å; A262-S264 PolarHBondContact O-N 2.9Å | ||
| 263 | F | 45.3 | Very low | 55.8 | Low | 202 Ų | 202 | 109 Ų | 109 | 89% | 0.886 | 60% | 0.598 | S | S | * | * | trans | -49.4 | 101 | 171.9 | -98.1 | -87.3 | 0 | 0 | 0 | 108.1 | E261 G265 | E261-F263 PolarHBondContact O-N 3.32Å; F263-G265 PolarHBondContact O-N 3.36Å; F263-G265 VanDerWaalsContact O-N 3.17Å | ||
| 264 | S | 33.7 | Very low | 53.2 | Low | 95 Ų | 95 | 115 Ų | 115 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | trans | -66.5 | 106.2 | 160.4 | 46.7 | 0 | 0 | 0 | 0 | 104.4 | A262 E266 | A262-S264 VanDerWaalsContact C-N 3.3Å; A262-S264 PolarHBondContact O-N 2.9Å; S264-E266 PolarHBondContact O-N 3.19Å | ||
| 265 | G | 37.4 | Very low | 50.4 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -70.2 | 64.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F263 | F263-G265 PolarHBondContact O-N 3.36Å; F263-G265 VanDerWaalsContact O-N 3.17Å |
| 266 | E | 34.4 | Very low | 48.4 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | trans | -133.6 | 3.8 | -173.1 | -115.9 | 175.4 | -175.2 | 0 | 0 | 117.2 | S264 | S264-E266 PolarHBondContact O-N 3.19Š| ||
| 267 | V | 31.4 | Very low | 46.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -124.9 | -17.6 | -178.2 | -170.4 | 0 | 0 | 0 | 0 | 115.8 | A269 | V267-A269 PolarHBondContact O-N 3.29Š|
| 268 | A | 32.8 | Very low | 43.8 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -0.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 269 | A | 33.9 | Very low | 41.4 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -7.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V267 | V267-A269 PolarHBondContact O-N 3.29Š|
| 270 | H | 30.7 | Very low | 39.4 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -101.5 | -4 | -173.9 | -101 | -67.6 | 0 | 0 | 0 | 116.1 | ||
| 271 | H | 31.3 | Very low | 37.5 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -104.3 | 7.3 | -176.1 | -87.6 | -61.5 | 0 | 0 | 0 | 116.4 | ||
| 272 | H | 32.5 | Very low | 35.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -118.6 | 19.7 | 176.4 | -92.7 | -48.6 | 0 | 0 | 0 | 115.4 | ||
| 273 | K | 34.2 | Very low | 34.2 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -124.4 | 85.8 | 162.4 | -83.7 | -176.4 | 175.6 | 179.7 | 0 | 107.9 | ||
| 274 | H | 34.4 | Very low | 33.3 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | 157.6 | 84.9 | 154.2 | -82.8 | -57 | 0 | 0 | 0 | 105.9 | ||||
| 275 | D | 32.8 | Very low | 33.2 | Very low | 245 Ų | 245 | 155.9 Ų | 155.9 | 100% | 1.31 | 86% | 0.857 | S | S | * | * | trans | -167.3 | 0 | 141.9 | -84.4 | -23.5 | 0 | 0 | 0 | 107.9 |
Retrieved 275 of 275 residues in 676 ms
(Link to these results)