| 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 | 40.4 | Very low | 58.3 | Low | 207 Ų | 207 | 82.3 Ų | 82.3 | 100% | 1.02 | 42% | 0.423 | S | S | * | . | 0 | -53.5 | 0 | -126.9 | 176.4 | 80.4 | 0 | 0 | 112.9 | V3 V4 T5 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.04Å; M1-V4 PolarHBondContact O-N 2.96Å; M1-V4 VanDerWaalsContact O-N 3.15Å; M1-T5 PolarHBondContact O-OG1 3.05Å | |||
| 2 | L | 38 | Very low | 59.7 | Low | 124 Ų | 124 | 80.6 Ų | 80.6 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -53.2 | -38.4 | -178.6 | -89.2 | 150.4 | 0 | 0 | 0 | 115.3 | V4 T5 Y6 | L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 2.78Å; L2-T5 PolarHBondContact O-N 3.25Å; L2-T5 PolarHBondContact O-OG1 2.65Å; L2-Y6 HydrophobicContact CD2-CE2 3.78Å; L2-Y6 WeakPolarHBondContact O-CD2 3.28Å |
| 3 | V | 46.7 | Very low | 61.1 | Low | 96 Ų | 96 | 80.3 Ų | 80.3 | 58% | 0.582 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | -178.5 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | M1 L7 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 3.04Å; V3-L7 HydrophobicContact CG1-CD1 3.78Å; V3-L7 HydrophobicContact CG1-CG 4.26Å; V3-L7 WeakPolarHBondContact O-CB 3.27Å; V3-L7 WeakPolarHBondContact O-CD1 3.44Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.05Å; V3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | V | 51.4 | Low | 62.6 | Low | 47 Ų | 47 | 79.8 Ų | 79.8 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.8 | -40.1 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | M1 L2 Y6 L7 I8 L92 | M1-V4 PolarHBondContact O-N 2.96Å; M1-V4 VanDerWaalsContact O-N 3.15Å; L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 2.78Å; V4-Y6 VanDerWaalsContact C-N 3.32Å; V4-Y6 PolarHBondContact O-N 3.15Å; V4-L7 WeakPolarHBondContact O-CB 3.41Å; V4-L7 PolarHBondContact O-N 3.02Å; V4-I8 PolarHBondContact O-N 2.91Å; V4-L92 HydrophobicContact CG1-CD1 3.93Å; V4-L92 HydrophobicContact CG1-CD2 3.35Å; V4-L92 HydrophobicContact CG1-CG 4.29Å |
| 5 | T | 52.6 | Low | 64.3 | Low | 90 Ų | 90 | 74.5 Ų | 74.5 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.9 | -30.7 | -178.5 | 17.4 | 0 | 0 | 0 | 0 | 113.5 | M1 L2 P9 | M1-T5 PolarHBondContact O-OG1 3.05Å; L2-T5 PolarHBondContact O-N 3.25Å; L2-T5 PolarHBondContact O-OG1 2.65Å; T5-P9 WeakPolarHBondContact O-CD 3.4Å |
| 6 | Y | 58.8 | Low | 65.7 | Low | 162 Ų | 162 | 70.8 Ų | 70.8 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -86.7 | -25.8 | 174.9 | -67.4 | -70.4 | 0 | 0 | 0 | 113.4 | L2 V4 W10 | L2-Y6 HydrophobicContact CD2-CE2 3.78Å; L2-Y6 WeakPolarHBondContact O-CD2 3.28Å; V4-Y6 VanDerWaalsContact C-N 3.32Å; V4-Y6 PolarHBondContact O-N 3.15Å; Y6-W10 WeakPolarHBondContact O-CB 3.23Å; Y6-W10 PolarHBondContact O-N 3.35Å |
| 7 | L | 65.9 | Low | 66.8 | Low | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 175.8 | -84.4 | 165.2 | 0 | 0 | 0 | 111 | V3 V4 W10 F11 F186 L188 | V3-L7 HydrophobicContact CG1-CD1 3.78Å; V3-L7 HydrophobicContact CG1-CG 4.26Å; V3-L7 WeakPolarHBondContact O-CB 3.27Å; V3-L7 WeakPolarHBondContact O-CD1 3.44Å; V3-L7 WeakPolarHBondContact O-CG 3.47Å; V3-L7 PolarHBondContact O-N 3.05Å; V3-L7 VanDerWaalsContact O-N 3.09Å; V4-L7 WeakPolarHBondContact O-CB 3.41Å; V4-L7 PolarHBondContact O-N 3.02Å; L7-W10 PolarHBondContact O-N 3.4Å; L7-F11 HydrophobicContact CB-CD2 4.08Å; L7-F11 HydrophobicContact CB-CE2 3.91Å; L7-F11 HydrophobicContact CD2-CD2 4.33Å; L7-F11 HydrophobicContact CD2-CE2 3.52Å; L7-F11 HydrophobicContact CD2-CZ 4.05Å; L7-F11 HydrophobicContact CG-CE2 4.28Å; L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.06Å; L7-F186 HydrophobicContact CD2-CB 3.77Å; L7-F186 HydrophobicContact CD2-CD1 3.31Å; L7-F186 HydrophobicContact CD2-CD2 3.33Å; L7-F186 HydrophobicContact CD2-CE1 3.65Å; L7-F186 HydrophobicContact CD2-CE2 3.69Å; L7-F186 HydrophobicContact CD2-CG 3.15Å; L7-F186 HydrophobicContact CD2-CZ 3.84Å; L7-F186 HydrophobicContact CG-CD1 3.84Å; L7-F186 HydrophobicContact CG-CE1 3.96Å; L7-F186 HydrophobicContact CG-CG 4.18Å; L7-F186 HydrophobicContact CG-CZ 4.41Å; L7-L188 HydrophobicContact CD2-CD1 4.3Å |
| 8 | I | 67.8 | Low | 67.6 | Low | 37 Ų | 37 | 74.5 Ų | 74.5 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -52.4 | -170.6 | -54.6 | -175.7 | 0 | 0 | 0 | 113.3 | V4 W10 F11 S12 F38 V90 L92 | V4-I8 PolarHBondContact O-N 2.91Å; I8-W10 VanDerWaalsContact C-N 3.26Å; I8-W10 PolarHBondContact O-N 3.17Å; I8-F11 PolarHBondContact O-N 2.9Å; I8-S12 WeakPolarHBondContact O-CB 3.46Å; I8-S12 PolarHBondContact O-N 2.83Å; I8-F38 HydrophobicContact CB-CZ 4.22Å; I8-F38 HydrophobicContact CD1-CZ 4.27Å; I8-F38 HydrophobicContact CG1-CZ 3.93Å; I8-F38 HydrophobicContact CG2-CE1 3.71Å; I8-F38 HydrophobicContact CG2-CZ 3.71Å; I8-V90 HydrophobicContact CD1-CG1 3.58Å; I8-L92 HydrophobicContact CD1-CD1 4.2Å; I8-L92 HydrophobicContact CD1-CD2 4.22Å; I8-L92 HydrophobicContact CD1-CG 4.42Å |
| 9 | P | 71.4 | Confident | 68.5 | Low | 68 Ų | 68 | 77.4 Ų | 77.4 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.5 | -23.1 | 34.7 | 0 | 0 | 0 | 111.7 | T5 S12 D13 | T5-P9 WeakPolarHBondContact O-CD 3.4Å; P9-S12 WeakPolarHBondContact O-CB 3.37Å; P9-S12 PolarHBondContact O-N 3.44Å; P9-D13 WeakPolarHBondContact O-CB 3.33Å; P9-D13 PolarHBondContact O-N 2.86Å |
| 10 | W | 71.5 | Confident | 69.5 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 24% | 0.239 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 179.4 | -166.1 | 102.3 | 0 | 0 | 0 | 112.2 | Y6 L7 I8 S12 D13 N14 C182 T185 F186 | Y6-W10 WeakPolarHBondContact O-CB 3.23Å; Y6-W10 PolarHBondContact O-N 3.35Å; L7-W10 PolarHBondContact O-N 3.4Å; I8-W10 VanDerWaalsContact C-N 3.26Å; I8-W10 PolarHBondContact O-N 3.17Å; W10-S12 VanDerWaalsContact C-N 3.28Å; W10-S12 PolarHBondContact O-N 2.81Å; W10-D13 PolarHBondContact O-N 3.35Å; W10-D13 VanDerWaalsContact O-N 3.12Å; W10-N14 HydrophobicContact CD2-CB 4.12Å; W10-N14 VanDerWaalsContact CD2-ND2 3.33Å; W10-N14 HydrophobicContact CE3-CB 3.8Å; W10-N14 HydrophobicContact CH2-CB 3.56Å; W10-N14 HydrophobicContact CZ2-CB 3.95Å; W10-N14 HydrophobicContact CZ3-CB 3.45Å; W10-N14 VanDerWaalsContact CZ3-CB 3.45Å; W10-N14 WeakPolarHBondContact O-CB 3.42Å; W10-N14 PolarHBondContact O-N 3.4Å; W10-N14 PolarHBondContact O-ND2 2.9Å; W10-C182 HydrophobicContact CE3-CB 4.35Å; W10-C182 HydrophobicContact CH2-CB 3.77Å; W10-C182 VanDerWaalsContact CZ3-CA 3.44Å; W10-C182 HydrophobicContact CZ3-CB 3.35Å; W10-C182 WeakPolarHBondContact CZ3-SG 3.02Å; W10-T185 HydrophobicContact CZ2-CG2 4.22Å; W10-F186 HydrophobicContact CB-CE2 4.11Å; W10-F186 HydrophobicContact CB-CZ 3.56Å; W10-F186 AromaticContact CD2-CE2 3.6Å; W10-F186 HydrophobicContact CD2-CE2 3.6Å; W10-F186 AromaticContact CD2-CZ 3.82Å; W10-F186 HydrophobicContact CD2-CZ 3.82Å; W10-F186 AromaticContact CE3-CE2 3.59Å; W10-F186 HydrophobicContact CE3-CE2 3.59Å; W10-F186 HydrophobicContact CE3-CZ 4.23Å; W10-F186 AromaticContact CG-CE2 3.85Å; W10-F186 HydrophobicContact CG-CE2 3.85Å; W10-F186 AromaticContact CG-CZ 3.53Å; W10-F186 HydrophobicContact CG-CZ 3.53Å; W10-F186 HydrophobicContact CZ3-CE2 4.35Å |
| 11 | F | 77.3 | Confident | 70.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.013 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 173.6 | -82.3 | -65.1 | 0 | 0 | 0 | 110.5 | L7 I8 D13 L15 L16 F162 C182 | L7-F11 HydrophobicContact CB-CD2 4.08Å; L7-F11 HydrophobicContact CB-CE2 3.91Å; L7-F11 HydrophobicContact CD2-CD2 4.33Å; L7-F11 HydrophobicContact CD2-CE2 3.52Å; L7-F11 HydrophobicContact CD2-CZ 4.05Å; L7-F11 HydrophobicContact CG-CE2 4.28Å; L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.06Å; I8-F11 PolarHBondContact O-N 2.9Å; F11-D13 VanDerWaalsContact C-N 3.29Å; F11-D13 PolarHBondContact O-N 3.06Å; F11-L15 HydrophobicContact CD1-CB 4.17Å; F11-L15 HydrophobicContact CD1-CD2 3.61Å; F11-L15 HydrophobicContact CE1-CD2 3.83Å; F11-L15 CarbonylContact O-C 3.58Å; F11-L15 WeakPolarHBondContact O-CA 3.49Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 2.67Å; F11-L16 PolarHBondContact O-N 3.33Å; F11-F162 HydrophobicContact CD1-CZ 4.34Å; F11-F162 AromaticContact CE1-CE2 3.68Å; F11-F162 HydrophobicContact CE1-CE2 3.68Å; F11-F162 AromaticContact CE1-CZ 3.55Å; F11-F162 HydrophobicContact CE1-CZ 3.55Å; F11-F162 AromaticContact CZ-CE2 3.69Å; F11-F162 HydrophobicContact CZ-CE2 3.69Å; F11-F162 HydrophobicContact CZ-CZ 4.07Å; F11-C182 WeakPolarHBondContact CD1-SG 3.48Å; F11-C182 WeakPolarHBondContact CE1-SG 3.46Å |
| 12 | S | 75 | Confident | 73 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | I8 P9 W10 | I8-S12 WeakPolarHBondContact O-CB 3.46Å; I8-S12 PolarHBondContact O-N 2.83Å; P9-S12 WeakPolarHBondContact O-CB 3.37Å; P9-S12 PolarHBondContact O-N 3.44Å; W10-S12 VanDerWaalsContact C-N 3.28Å; W10-S12 PolarHBondContact O-N 2.81Å |
| 13 | D | 77.9 | Confident | 75.5 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81.9 | -23.8 | -174.8 | -76.3 | -28.2 | 0 | 0 | 0 | 114.8 | P9 W10 F11 K19 | P9-D13 WeakPolarHBondContact O-CB 3.33Å; P9-D13 PolarHBondContact O-N 2.86Å; W10-D13 PolarHBondContact O-N 3.35Å; W10-D13 VanDerWaalsContact O-N 3.12Å; F11-D13 VanDerWaalsContact C-N 3.29Å; F11-D13 PolarHBondContact O-N 3.06Å; D13-K19 WeakPolarHBondContact O-CB 3.3Å; D13-K19 WeakPolarHBondContact O-CD 3.25Å; D13-K19 IonicContact OD1-NZ 3.77Å; D13-K19 PolarHBondContact OD1-NZ 2.92Å |
| 14 | N | 81.9 | Confident | 77.5 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -125.3 | -30.1 | -170 | -62.5 | -84.8 | 0 | 0 | 0 | 114.2 | W10 | W10-N14 HydrophobicContact CD2-CB 4.12Å; W10-N14 VanDerWaalsContact CD2-ND2 3.33Å; W10-N14 HydrophobicContact CE3-CB 3.8Å; W10-N14 HydrophobicContact CH2-CB 3.56Å; W10-N14 HydrophobicContact CZ2-CB 3.95Å; W10-N14 HydrophobicContact CZ3-CB 3.45Å; W10-N14 VanDerWaalsContact CZ3-CB 3.45Å; W10-N14 WeakPolarHBondContact O-CB 3.42Å; W10-N14 PolarHBondContact O-N 3.4Å; W10-N14 PolarHBondContact O-ND2 2.9Å |
| 15 | L | 87.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -36.2 | -174.3 | -167.1 | 62.9 | 0 | 0 | 0 | 112.6 | F11 G20 P21 G22 F162 L164 L179 C182 | F11-L15 HydrophobicContact CD1-CB 4.17Å; F11-L15 HydrophobicContact CD1-CD2 3.61Å; F11-L15 HydrophobicContact CE1-CD2 3.83Å; F11-L15 CarbonylContact O-C 3.58Å; F11-L15 WeakPolarHBondContact O-CA 3.49Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 2.67Å; L15-G20 CarbonylContact O-C 3.53Å; L15-P21 VanDerWaalsContact O-CD 3.31Å; L15-P21 WeakPolarHBondContact O-CD 3.29Å; L15-G22 WeakPolarHBondContact O-CA 3.14Å; L15-G22 PolarHBondContact O-N 3.11Å; L15-F162 HydrophobicContact CD2-CE1 4.03Å; L15-F162 HydrophobicContact CD2-CZ 3.96Å; L15-L164 HydrophobicContact CD1-CD2 3.71Å; L15-L164 HydrophobicContact CD2-CD1 3.82Å; L15-L164 HydrophobicContact CD2-CD2 4.2Å; L15-L164 HydrophobicContact CG-CD1 3.94Å; L15-L164 HydrophobicContact CG-CD2 4.05Å; L15-L179 HydrophobicContact CD1-CB 4.39Å; L15-L179 HydrophobicContact CD2-CD1 4.07Å; L15-C182 HydrophobicContact CD2-CB 4.38Å |
| 16 | L | 87.8 | Confident | 81.1 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -92.6 | 147.9 | -174.3 | -58.5 | 178.2 | 0 | 0 | 0 | 112.9 | F11 K19 G20 G22 A25 F38 | F11-L16 PolarHBondContact O-N 3.33Å; L16-K19 PolarHBondContact O-N 3.12Å; L16-G20 PolarHBondContact O-N 3.32Å; L16-G22 CarbonylContact C-O 3.55Å; L16-G22 WeakPolarHBondContact CA-O 3.43Å; L16-A25 HydrophobicContact CD2-CB 4.13Å; L16-F38 HydrophobicContact CD1-CB 3.98Å; L16-F38 HydrophobicContact CD1-CD1 4.44Å; L16-F38 HydrophobicContact CD1-CD2 4.27Å; L16-F38 HydrophobicContact CD1-CG 4.01Å |
| 17 | Y | 83 | Confident | 82.5 | Confident | 115 Ų | 115 | 37.3 Ų | 37.3 | 45% | 0.451 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 142 | 175.2 | -169 | -92 | 0 | 0 | 0 | 110.5 | G20 G22 L23 Y170 | Y17-G20 VanDerWaalsContact CA-O 3.28Å; Y17-G20 WeakPolarHBondContact CA-O 3.14Å; Y17-G20 PolarHBondContact N-O 3Å; Y17-G22 WeakPolarHBondContact CB-O 3.25Å; Y17-G22 PolarHBondContact N-O 2.63Å; Y17-L23 HydrophobicContact CG-CD2 4.37Å; Y17-Y170 HydrophobicContact CD2-CE2 4.41Å |
| 18 | P | 81.7 | Confident | 83.5 | Confident | 94 Ų | 94 | 37.1 Ų | 37.1 | 61% | 0.61 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.9 | -4.4 | 9.6 | 35 | -36.6 | 0 | 0 | 0 | 115.7 | ||
| 19 | K | 85.4 | Confident | 84.2 | Confident | 129 Ų | 129 | 37.6 Ų | 37.6 | 56% | 0.561 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -28.9 | -174.2 | -66.6 | 177.1 | 178.5 | -177.8 | 0 | 112.9 | D13 L16 | D13-K19 WeakPolarHBondContact O-CB 3.3Å; D13-K19 WeakPolarHBondContact O-CD 3.25Å; D13-K19 IonicContact OD1-NZ 3.77Å; D13-K19 PolarHBondContact OD1-NZ 2.92Å; L16-K19 PolarHBondContact O-N 3.12Å |
| 20 | G | 88.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -126.1 | -179.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L15 L16 Y17 G22 | L15-G20 CarbonylContact O-C 3.53Å; L16-G20 PolarHBondContact O-N 3.32Å; Y17-G20 VanDerWaalsContact CA-O 3.28Å; Y17-G20 WeakPolarHBondContact CA-O 3.14Å; Y17-G20 PolarHBondContact N-O 3Å; G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 3.4Å |
| 21 | P | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -75 | -20.1 | -174.4 | 30.4 | -35.5 | 0 | 0 | 0 | 113.9 | L15 L23 V166 S167 Y170 Y174 S175 | L15-P21 VanDerWaalsContact O-CD 3.31Å; L15-P21 WeakPolarHBondContact O-CD 3.29Å; P21-L23 PolarHBondContact O-N 3.18Å; P21-V166 HydrophobicContact CB-CB 4.33Å; P21-V166 HydrophobicContact CB-CG1 4.29Å; P21-V166 CarbonylContact O-C 3.38Å; P21-V166 VanDerWaalsContact O-CA 3.26Å; P21-V166 WeakPolarHBondContact O-CA 2.92Å; P21-S167 PolarHBondContact O-N 2.92Å; P21-Y170 HydrophobicContact CB-CD1 4.35Å; P21-Y170 HydrophobicContact CB-CD2 3.84Å; P21-Y170 HydrophobicContact CB-CE2 4.42Å; P21-Y170 HydrophobicContact CB-CG 3.79Å; P21-Y174 HydrophobicContact CB-CE1 4.5Å; P21-Y174 HydrophobicContact CG-CE1 4.35Å; P21-S175 WeakPolarHBondContact CB-OG 3.43Å |
| 22 | G | 91.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L15 L16 Y17 G20 H165 | L15-G22 WeakPolarHBondContact O-CA 3.14Å; L15-G22 PolarHBondContact O-N 3.11Å; L16-G22 CarbonylContact C-O 3.55Å; L16-G22 WeakPolarHBondContact CA-O 3.43Å; Y17-G22 WeakPolarHBondContact CB-O 3.25Å; Y17-G22 PolarHBondContact N-O 2.63Å; G20-G22 VanDerWaalsContact C-N 3.34Å; G20-G22 PolarHBondContact O-N 3.4Å; G22-H165 CarbonylContact C-O 3.45Å; G22-H165 VanDerWaalsContact CA-O 3.32Å; G22-H165 WeakPolarHBondContact CA-O 3.29Å |
| 23 | L | 89.8 | Confident | 84 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -23.6 | 167.7 | -64.5 | 175.2 | 0 | 0 | 0 | 112.3 | Y17 P21 G39 T40 H165 | Y17-L23 HydrophobicContact CG-CD2 4.37Å; P21-L23 PolarHBondContact O-N 3.18Å; L23-G39 WeakPolarHBondContact O-CA 3.49Å; L23-T40 HydrophobicContact CB-CG2 4.08Å; L23-T40 PolarHBondContact O-N 3.3Å; L23-T40 VanDerWaalsContact O-N 3.16Å; L23-H165 PolarHBondContact N-O 2.76Å |
| 24 | G | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 153.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | F38 L164 H165 | G24-F38 CarbonylContact C-O 3.51Å; G24-F38 WeakPolarHBondContact CA-O 3.26Å; G24-L164 WeakPolarHBondContact O-CD1 3.36Å; G24-H165 PolarHBondContact N-O 2.88Å; G24-H165 PolarHBondContact O-N 3.41Å |
| 25 | A | 90.1 | Very high | 83.2 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L16 H37 F38 F162 I163 L164 | L16-A25 HydrophobicContact CD2-CB 4.13Å; A25-H37 CarbonylContact O-C 3.57Å; A25-H37 VanDerWaalsContact O-CA 3.23Å; A25-H37 WeakPolarHBondContact O-CA 3.04Å; A25-F38 HydrophobicContact CB-CD2 4.32Å; A25-F38 PolarHBondContact N-O 3Å; A25-F38 VanDerWaalsContact N-O 3.12Å; A25-F38 PolarHBondContact O-N 2.73Å; A25-F162 HydrophobicContact CB-CE1 4.16Å; A25-F162 HydrophobicContact CB-CZ 3.84Å; A25-I163 CarbonylContact C-O 3.54Å; A25-I163 VanDerWaalsContact CA-O 3.3Å; A25-I163 WeakPolarHBondContact CA-O 2.94Å; A25-L164 HydrophobicContact CB-CD1 3.75Å |
| 26 | A | 89.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 135.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I36 H37 L41 I44 F162 I163 | A26-I36 CarbonylContact C-O 3.49Å; A26-I36 WeakPolarHBondContact CA-O 3.28Å; A26-H37 HydrophobicContact CB-CB 4.43Å; A26-L41 HydrophobicContact CB-CB 4.17Å; A26-L41 HydrophobicContact CB-CD1 4.26Å; A26-I44 HydrophobicContact CB-CD1 4Å; A26-I44 HydrophobicContact CB-CG2 4.02Å; A26-F162 WeakPolarHBondContact O-CA 3.36Å; A26-I163 PolarHBondContact N-O 3.16Å; A26-I163 PolarHBondContact O-N 3.15Å |
| 27 | Q | 88.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.7 | 168 | 175.5 | 64.6 | 66.6 | 0 | 0 | 108.9 | L29 S34 T35 I36 S157 L161 F162 | Q27-L29 HydrophobicContact CG-CD2 4.26Å; Q27-S34 CarbonylContact O-C 3.5Å; Q27-S34 WeakPolarHBondContact O-CA 3.2Å; Q27-T35 PolarHBondContact O-N 3.38Å; Q27-T35 PolarHBondContact O-OG1 3.08Å; Q27-I36 HydrophobicContact CB-CB 4.15Å; Q27-I36 PolarHBondContact N-O 2.99Å; Q27-S157 PolarHBondContact NE2-OG 2.79Å; Q27-S157 PolarHBondContact OE1-OG 3.43Å; Q27-S157 VanDerWaalsContact OE1-OG 3.04Å; Q27-L161 PolarHBondContact NE2-O 2.68Å; Q27-L161 VanDerWaalsContact NE2-O 3.14Å; Q27-F162 HydrophobicContact CB-CD2 4.13Å; Q27-F162 HydrophobicContact CB-CE2 4.46Å |
| 28 | I | 87.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128 | -179.3 | -47.8 | 178.2 | 0 | 0 | 0 | 108.3 | I32 I44 A51 Y52 G160 L161 I163 | I28-I32 WeakPolarHBondContact CG2-O 3.38Å; I28-I44 HydrophobicContact CD1-CD1 4.25Å; I28-A51 HydrophobicContact CD1-CB 3.45Å; I28-A51 VanDerWaalsContact CD1-CB 3.45Å; I28-Y52 HydrophobicContact CG2-CD2 4.28Å; I28-G160 WeakPolarHBondContact O-CA 3.19Å; I28-L161 HydrophobicContact CB-CB 4.4Å; I28-L161 HydrophobicContact CD1-CD2 4.46Å; I28-L161 PolarHBondContact N-O 3.07Å; I28-L161 PolarHBondContact O-N 2.89Å; I28-I163 HydrophobicContact CD1-CD1 3.65Å |
| 29 | L | 82.5 | Confident | 82.7 | Confident | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.8 | -175.4 | -62 | -173.3 | 0 | 0 | 0 | 111.2 | Q27 S31 I32 T35 L159 | Q27-L29 HydrophobicContact CG-CD2 4.26Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 3.22Å; L29-I32 HydrophobicContact CB-CB 4.47Å; L29-I32 WeakPolarHBondContact O-CA 3.46Å; L29-I32 WeakPolarHBondContact O-CB 3.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.4Å; L29-I32 PolarHBondContact O-N 3.36Å; L29-T35 HydrophobicContact CB-CG2 4.47Å; L29-T35 HydrophobicContact CD1-CG2 3.33Å; L29-T35 HydrophobicContact CG-CG2 3.58Å; L29-L159 WeakPolarHBondContact CA-O 3.49Å; L29-L159 HydrophobicContact CD2-CB 3.67Å; L29-L159 HydrophobicContact CD2-CD1 4.42Å; L29-L159 VanDerWaalsContact CD2-O 3.26Å; L29-L159 WeakPolarHBondContact CD2-O 2.91Å |
| 30 | N | 73.2 | Confident | 82.7 | Confident | 102 Ų | 102 | 27.9 Ų | 27.9 | 55% | 0.545 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 35.1 | 52.8 | 167.8 | -63.4 | -19.8 | 0 | 0 | 0 | 116 | I32 | N30-I32 VanDerWaalsContact C-N 3.26Å; N30-I32 PolarHBondContact O-N 2.85Å |
| 31 | S | 71.8 | Confident | 82.8 | Confident | 66 Ų | 66 | 27.9 Ų | 27.9 | 46% | 0.462 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 4.2 | -176.1 | 76.4 | 0 | 0 | 0 | 0 | 118.2 | L29 | L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 3.22Å |
| 32 | I | 71.5 | Confident | 82.4 | Confident | 112 Ų | 112 | 28.6 Ų | 28.6 | 57% | 0.574 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -79.7 | 159.1 | 167.2 | -51.9 | 170.1 | 0 | 0 | 0 | 108.5 | I28 L29 N30 | I28-I32 WeakPolarHBondContact CG2-O 3.38Å; L29-I32 HydrophobicContact CB-CB 4.47Å; L29-I32 WeakPolarHBondContact O-CA 3.46Å; L29-I32 WeakPolarHBondContact O-CB 3.21Å; L29-I32 WeakPolarHBondContact O-CG1 3.4Å; L29-I32 PolarHBondContact O-N 3.36Å; N30-I32 VanDerWaalsContact C-N 3.26Å; N30-I32 PolarHBondContact O-N 2.85Å |
| 33 | K | 73.3 | Confident | 81.8 | Confident | 139 Ų | 139 | 30.6 Ų | 30.6 | 60% | 0.604 | 17% | 0.165 | S | C | * | . | P | Polyproline II helix | trans | -46.6 | 153.7 | 171.8 | -72.3 | -169.4 | 175.3 | -172.7 | 0 | 112.7 | T35 | K33-T35 PolarHBondContact O-N 3.05Š|
| 34 | S | 70.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 134.6 | 176.1 | 78.2 | 0 | 0 | 0 | 0 | 110.6 | Q27 H37 I44 D45 | Q27-S34 CarbonylContact O-C 3.5Å; Q27-S34 WeakPolarHBondContact O-CA 3.2Å; S34-H37 PolarHBondContact OG-CD2 2.98Å; S34-H37 VanDerWaalsContact OG-CD2 3.29Å; S34-I44 WeakPolarHBondContact OG-CG2 3.44Å; S34-D45 WeakPolarHBondContact CB-OD2 3.36Å; S34-D45 PolarHBondContact N-OD1 2.61Å; S34-D45 PolarHBondContact N-OD2 3.23Å; S34-D45 VanDerWaalsContact OG-CG 3.27Å; S34-D45 PolarHBondContact OG-OD1 2.74Å; S34-D45 PolarHBondContact OG-OD2 2.91Å |
| 35 | T | 73.4 | Confident | 81.2 | Confident | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -17.2 | -178.4 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | Q27 L29 K33 | Q27-T35 PolarHBondContact O-N 3.38Å; Q27-T35 PolarHBondContact O-OG1 3.08Å; L29-T35 HydrophobicContact CB-CG2 4.47Å; L29-T35 HydrophobicContact CD1-CG2 3.33Å; L29-T35 HydrophobicContact CG-CG2 3.58Å; K33-T35 PolarHBondContact O-N 3.05Å |
| 36 | I | 76.9 | Confident | 80.5 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 124.9 | 176.7 | -57.6 | 178.4 | 0 | 0 | 0 | 105.6 | A26 Q27 F38 L92 | A26-I36 CarbonylContact C-O 3.49Å; A26-I36 WeakPolarHBondContact CA-O 3.28Å; Q27-I36 HydrophobicContact CB-CB 4.15Å; Q27-I36 PolarHBondContact N-O 2.99Å; I36-F38 HydrophobicContact CG2-CD2 3.84Å; I36-F38 HydrophobicContact CG2-CE2 3.06Å; I36-F38 HydrophobicContact CG2-CZ 3.56Å; I36-L92 HydrophobicContact CG1-CD2 4.35Å |
| 37 | H | 84.1 | Confident | 79.8 | Confident | 22 Ų | 22 | 39 Ų | 39 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 141 | 175.1 | 55 | 69.8 | 0 | 0 | 0 | 110.7 | A25 A26 S34 S42 I44 T89 G91 | A25-H37 CarbonylContact O-C 3.57Å; A25-H37 VanDerWaalsContact O-CA 3.23Å; A25-H37 WeakPolarHBondContact O-CA 3.04Å; A26-H37 HydrophobicContact CB-CB 4.43Å; S34-H37 PolarHBondContact OG-CD2 2.98Å; S34-H37 VanDerWaalsContact OG-CD2 3.29Å; H37-S42 PolarHBondContact CE1-O 3.28Å; H37-S42 VanDerWaalsContact CE1-O 3.24Å; H37-S42 WeakPolarHBondContact ND1-CA 3.42Å; H37-S42 PolarHBondContact ND1-O 2.83Å; H37-I44 HydrophobicContact CB-CG2 4.4Å; H37-T89 PolarHBondContact CE1-O 2.99Å; H37-T89 PolarHBondContact ND1-O 2.8Å; H37-G91 PolarHBondContact CE1-N 3.19Å; H37-G91 VanDerWaalsContact CE1-N 3.3Å; H37-G91 WeakPolarHBondContact NE2-CA 3.43Å |
| 38 | F | 83.2 | Confident | 79 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.1 | -176.7 | -58.7 | -79.5 | 0 | 0 | 0 | 111.8 | I8 L16 G24 A25 I36 T40 L41 V88 V90 | I8-F38 HydrophobicContact CB-CZ 4.22Å; I8-F38 HydrophobicContact CD1-CZ 4.27Å; I8-F38 HydrophobicContact CG1-CZ 3.93Å; I8-F38 HydrophobicContact CG2-CE1 3.71Å; I8-F38 HydrophobicContact CG2-CZ 3.71Å; L16-F38 HydrophobicContact CD1-CB 3.98Å; L16-F38 HydrophobicContact CD1-CD1 4.44Å; L16-F38 HydrophobicContact CD1-CD2 4.27Å; L16-F38 HydrophobicContact CD1-CG 4.01Å; G24-F38 CarbonylContact C-O 3.51Å; G24-F38 WeakPolarHBondContact CA-O 3.26Å; A25-F38 HydrophobicContact CB-CD2 4.32Å; A25-F38 PolarHBondContact N-O 3Å; A25-F38 VanDerWaalsContact N-O 3.12Å; A25-F38 PolarHBondContact O-N 2.73Å; I36-F38 HydrophobicContact CG2-CD2 3.84Å; I36-F38 HydrophobicContact CG2-CE2 3.06Å; I36-F38 HydrophobicContact CG2-CZ 3.56Å; F38-T40 PolarHBondContact O-N 2.83Å; F38-L41 PolarHBondContact O-N 2.81Å; F38-L41 VanDerWaalsContact O-N 3.15Å; F38-V88 HydrophobicContact CD1-CG1 3.98Å; F38-V90 HydrophobicContact CD1-CG2 4Å; F38-V90 HydrophobicContact CE1-CB 4.35Å; F38-V90 HydrophobicContact CE1-CG1 4.08Å; F38-V90 HydrophobicContact CE1-CG2 3.58Å; F38-V90 HydrophobicContact CZ-CG1 4.49Å |
| 39 | G | 84.7 | Confident | 78.2 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | -131.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | L23 L41 S42 M84 P85 | L23-G39 WeakPolarHBondContact O-CA 3.49Å; G39-L41 PolarHBondContact O-N 3.3Å; G39-S42 VanDerWaalsContact O-CB 3.25Å; G39-S42 WeakPolarHBondContact O-CB 2.86Å; G39-S42 PolarHBondContact O-N 2.81Å; G39-S42 PolarHBondContact O-OG 2.89Å; G39-S42 VanDerWaalsContact O-OG 3.05Å; G39-M84 VanDerWaalsContact CA-CE 3.48Å; G39-P85 WeakPolarHBondContact O-CG 3.41Å |
| 40 | T | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.2 | -178 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | L23 F38 P81 H165 | L23-T40 HydrophobicContact CB-CG2 4.08Å; L23-T40 PolarHBondContact O-N 3.3Å; L23-T40 VanDerWaalsContact O-N 3.16Å; F38-T40 PolarHBondContact O-N 2.83Å; T40-P81 HydrophobicContact CG2-CG 4.16Å; T40-P81 VanDerWaalsContact O-CD 3.3Å; T40-P81 WeakPolarHBondContact O-CD 3.46Å; T40-H165 PolarHBondContact OG1-ND1 3.41Å |
| 41 | L | 88.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 8.9 | 177 | -61.5 | -178.2 | 0 | 0 | 0 | 112.5 | A26 F38 G39 S43 I44 W47 I80 I163 H165 | A26-L41 HydrophobicContact CB-CB 4.17Å; A26-L41 HydrophobicContact CB-CD1 4.26Å; F38-L41 PolarHBondContact O-N 2.81Å; F38-L41 VanDerWaalsContact O-N 3.15Å; G39-L41 PolarHBondContact O-N 3.3Å; L41-S43 PolarHBondContact O-N 3.13Å; L41-S43 VanDerWaalsContact O-N 3.15Å; L41-I44 WeakPolarHBondContact O-CB 3.47Å; L41-I44 WeakPolarHBondContact O-CG2 3.48Å; L41-I44 PolarHBondContact O-N 2.86Å; L41-I44 VanDerWaalsContact O-N 3.12Å; L41-W47 HydrophobicContact CD2-CH2 4.49Å; L41-W47 HydrophobicContact CD2-CZ2 3.92Å; L41-I80 HydrophobicContact CD2-CD1 3.94Å; L41-I80 HydrophobicContact CD2-CG1 3.97Å; L41-I80 HydrophobicContact CD2-CG2 4.43Å; L41-I163 HydrophobicContact CD1-CB 4.22Å; L41-I163 HydrophobicContact CD1-CG2 3.79Å; L41-H165 HydrophobicContact CD1-CB 4.18Å; L41-H165 HydrophobicContact CD2-CB 4.41Å; L41-H165 HydrophobicContact CG-CB 4.13Å |
| 42 | S | 83.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.4 | -177.2 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | H37 G39 T89 | H37-S42 PolarHBondContact CE1-O 3.28Å; H37-S42 VanDerWaalsContact CE1-O 3.24Å; H37-S42 WeakPolarHBondContact ND1-CA 3.42Å; H37-S42 PolarHBondContact ND1-O 2.83Å; G39-S42 VanDerWaalsContact O-CB 3.25Å; G39-S42 WeakPolarHBondContact O-CB 2.86Å; G39-S42 PolarHBondContact O-N 2.81Å; G39-S42 PolarHBondContact O-OG 2.89Å; G39-S42 VanDerWaalsContact O-OG 3.05Å; S42-T89 WeakPolarHBondContact CB-OG1 3.24Å |
| 43 | S | 80 | Confident | 80.2 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 17.6 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | L41 D45 L46 W47 | L41-S43 PolarHBondContact O-N 3.13Å; L41-S43 VanDerWaalsContact O-N 3.15Å; S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact O-N 3.14Å; S43-D45 VanDerWaalsContact O-N 3.17Å; S43-L46 WeakPolarHBondContact O-CA 3.29Å; S43-L46 VanDerWaalsContact O-CB 3.31Å; S43-L46 WeakPolarHBondContact O-CB 2.99Å; S43-L46 PolarHBondContact O-N 3.24Å; S43-W47 PolarHBondContact O-N 2.95Å; S43-W47 PolarHBondContact O-NE1 3.15Å |
| 44 | I | 84 | Confident | 81 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -51.3 | -43.2 | -173.7 | -172.1 | 158.5 | 0 | 0 | 0 | 114 | A26 I28 S34 H37 L41 L46 W47 E48 A51 I163 | A26-I44 HydrophobicContact CB-CD1 4Å; A26-I44 HydrophobicContact CB-CG2 4.02Å; I28-I44 HydrophobicContact CD1-CD1 4.25Å; S34-I44 WeakPolarHBondContact OG-CG2 3.44Å; H37-I44 HydrophobicContact CB-CG2 4.4Å; L41-I44 WeakPolarHBondContact O-CB 3.47Å; L41-I44 WeakPolarHBondContact O-CG2 3.48Å; L41-I44 PolarHBondContact O-N 2.86Å; L41-I44 VanDerWaalsContact O-N 3.12Å; I44-L46 PolarHBondContact O-N 2.87Å; I44-W47 VanDerWaalsContact CA-CE2 3.45Å; I44-W47 HydrophobicContact CB-CH2 4.38Å; I44-W47 HydrophobicContact CB-CZ2 3.78Å; I44-W47 HydrophobicContact CD1-CH2 3.78Å; I44-W47 HydrophobicContact CD1-CZ2 3.94Å; I44-W47 HydrophobicContact CG1-CH2 3.6Å; I44-W47 HydrophobicContact CG1-CZ2 3.53Å; I44-W47 HydrophobicContact CG1-CZ3 4.22Å; I44-W47 PolarHBondContact O-N 3.31Å; I44-E48 PolarHBondContact O-N 3Å; I44-A51 HydrophobicContact CD1-CB 4.03Å; I44-A51 HydrophobicContact CG1-CB 4.12Å; I44-I163 HydrophobicContact CD1-CD1 3.74Å |
| 45 | D | 81.5 | Confident | 82.1 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.4 | -18.1 | -179.6 | -63.4 | -44.8 | 0 | 0 | 0 | 113.3 | S34 S43 | S34-D45 WeakPolarHBondContact CB-OD2 3.36Å; S34-D45 PolarHBondContact N-OD1 2.61Å; S34-D45 PolarHBondContact N-OD2 3.23Å; S34-D45 VanDerWaalsContact OG-CG 3.27Å; S34-D45 PolarHBondContact OG-OD1 2.74Å; S34-D45 PolarHBondContact OG-OD2 2.91Å; S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact O-N 3.14Å; S43-D45 VanDerWaalsContact O-N 3.17Å |
| 46 | L | 77.4 | Confident | 83 | Confident | 129 Ų | 129 | 36.3 Ų | 36.3 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -79.5 | -37.4 | 176.2 | -62.7 | 177.9 | 0 | 0 | 0 | 111.7 | S43 I44 L108 | S43-L46 WeakPolarHBondContact O-CA 3.29Å; S43-L46 VanDerWaalsContact O-CB 3.31Å; S43-L46 WeakPolarHBondContact O-CB 2.99Å; S43-L46 PolarHBondContact O-N 3.24Å; I44-L46 PolarHBondContact O-N 2.87Å; L46-L108 HydrophobicContact CD2-CD2 4.32Å |
| 47 | W | 73.7 | Confident | 83.7 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -103 | -17.4 | -173.3 | 58 | -109.3 | 0 | 0 | 0 | 114.5 | L41 S43 I44 L78 P79 I80 | L41-W47 HydrophobicContact CD2-CH2 4.49Å; L41-W47 HydrophobicContact CD2-CZ2 3.92Å; S43-W47 PolarHBondContact O-N 2.95Å; S43-W47 PolarHBondContact O-NE1 3.15Å; I44-W47 VanDerWaalsContact CA-CE2 3.45Å; I44-W47 HydrophobicContact CB-CH2 4.38Å; I44-W47 HydrophobicContact CB-CZ2 3.78Å; I44-W47 HydrophobicContact CD1-CH2 3.78Å; I44-W47 HydrophobicContact CD1-CZ2 3.94Å; I44-W47 HydrophobicContact CG1-CH2 3.6Å; I44-W47 HydrophobicContact CG1-CZ2 3.53Å; I44-W47 HydrophobicContact CG1-CZ3 4.22Å; I44-W47 PolarHBondContact O-N 3.31Å; W47-L78 HydrophobicContact CZ3-CD2 4.25Å; W47-P79 HydrophobicContact CB-CB 4.44Å; W47-P79 HydrophobicContact CB-CG 3.51Å; W47-P79 HydrophobicContact CD2-CG 3.52Å; W47-P79 HydrophobicContact CE3-CG 3.51Å; W47-P79 HydrophobicContact CG-CG 3.54Å; W47-P79 HydrophobicContact CZ3-CG 4.42Å; W47-I80 HydrophobicContact CH2-CG1 4.38Å; W47-I80 HydrophobicContact CZ2-CG1 4.25Å |
| 48 | E | 71.5 | Confident | 84.2 | Confident | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | trans | -139.5 | 92.3 | 169.9 | -175.9 | 53 | -103.9 | 0 | 0 | 110.1 | I44 N50 A51 L54 | I44-E48 PolarHBondContact O-N 3Å; E48-N50 PolarHBondContact O-N 3.39Å; E48-N50 PolarHBondContact OE1-N 2.78Å; E48-A51 HydrophobicContact CB-CB 4.15Å; E48-A51 VanDerWaalsContact CG-CA 3.46Å; E48-A51 HydrophobicContact CG-CB 3.71Å; E48-A51 PolarHBondContact O-N 3.41Å; E48-L54 HydrophobicContact CG-CD2 4.09Å | ||
| 49 | S | 71.8 | Confident | 84.7 | Confident | 105 Ų | 105 | 39.5 Ų | 39.5 | 73% | 0.734 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.3 | -176.6 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 50 | N | 78.4 | Confident | 84.9 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | 62.6 | 174.4 | -155.1 | -31.3 | 0 | 0 | 0 | 112.6 | E48 Y52 L53 L54 | E48-N50 PolarHBondContact O-N 3.39Å; E48-N50 PolarHBondContact OE1-N 2.78Å; N50-Y52 PolarHBondContact O-N 2.87Å; N50-Y52 VanDerWaalsContact O-N 3.11Å; N50-L53 HydrophobicContact CB-CB 4.39Å; N50-L53 HydrophobicContact CB-CD1 4.49Å; N50-L53 WeakPolarHBondContact ND2-CD1 3.33Å; N50-L53 PolarHBondContact O-N 3.39Å; N50-L53 WeakPolarHBondContact OD1-CG 3.43Å; N50-L53 PolarHBondContact OD1-N 3.11Å; N50-L53 VanDerWaalsContact OD1-N 3.08Å; N50-L54 PolarHBondContact O-N 3.37Å |
| 51 | A | 86.1 | Confident | 85 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.2 | -29.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | I28 I44 E48 L54 F55 I163 | I28-A51 HydrophobicContact CD1-CB 3.45Å; I28-A51 VanDerWaalsContact CD1-CB 3.45Å; I44-A51 HydrophobicContact CD1-CB 4.03Å; I44-A51 HydrophobicContact CG1-CB 4.12Å; E48-A51 HydrophobicContact CB-CB 4.15Å; E48-A51 VanDerWaalsContact CG-CA 3.46Å; E48-A51 HydrophobicContact CG-CB 3.71Å; E48-A51 PolarHBondContact O-N 3.41Å; A51-L54 PolarHBondContact O-N 2.88Å; A51-F55 HydrophobicContact CB-CD2 3.92Å; A51-F55 HydrophobicContact CB-CE2 3.77Å; A51-F55 WeakPolarHBondContact O-CB 3.39Å; A51-F55 WeakPolarHBondContact O-CD2 3.06Å; A51-F55 WeakPolarHBondContact O-CG 3.3Å; A51-F55 PolarHBondContact O-N 3.47Å; A51-I163 HydrophobicContact CB-CD1 4.5Å |
| 52 | Y | 88.8 | Confident | 84.9 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -52.1 | 173.2 | -171.2 | -87.5 | 0 | 0 | 0 | 112.4 | I28 N50 L54 F55 M56 L161 | I28-Y52 HydrophobicContact CG2-CD2 4.28Å; N50-Y52 PolarHBondContact O-N 2.87Å; N50-Y52 VanDerWaalsContact O-N 3.11Å; Y52-L54 VanDerWaalsContact C-N 3.27Å; Y52-L54 PolarHBondContact O-N 2.84Å; Y52-F55 PolarHBondContact O-N 2.97Å; Y52-M56 HydrophobicContact CD1-CB 4.13Å; Y52-M56 HydrophobicContact CD2-CE 4.1Å; Y52-M56 HydrophobicContact CE1-CB 3.98Å; Y52-M56 HydrophobicContact CE1-CE 4.46Å; Y52-M56 HydrophobicContact CE1-CG 3.94Å; Y52-M56 HydrophobicContact CE2-CE 3.29Å; Y52-M56 HydrophobicContact CE2-CG 4.39Å; Y52-M56 HydrophobicContact CG-CB 4.46Å; Y52-M56 WeakPolarHBondContact O-CB 3.43Å; Y52-M56 PolarHBondContact O-N 2.73Å; Y52-L161 HydrophobicContact CD2-CB 4.01Å; Y52-L161 HydrophobicContact CE2-CB 4.33Å |
| 53 | L | 87.7 | Confident | 85.3 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.4 | -28 | 180 | -72.8 | -177.3 | 0 | 0 | 0 | 113 | N50 P57 | N50-L53 HydrophobicContact CB-CB 4.39Å; N50-L53 HydrophobicContact CB-CD1 4.49Å; N50-L53 WeakPolarHBondContact ND2-CD1 3.33Å; N50-L53 PolarHBondContact O-N 3.39Å; N50-L53 WeakPolarHBondContact OD1-CG 3.43Å; N50-L53 PolarHBondContact OD1-N 3.11Å; N50-L53 VanDerWaalsContact OD1-N 3.08Å; L53-P57 WeakPolarHBondContact O-CD 3.35Å; L53-P57 VanDerWaalsContact O-CG 3.29Å; L53-P57 WeakPolarHBondContact O-CG 3.26Å |
| 54 | L | 89.2 | Confident | 86 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -47.5 | 175.3 | 178.9 | 61.7 | 0 | 0 | 0 | 111.7 | E48 N50 A51 Y52 L78 | E48-L54 HydrophobicContact CG-CD2 4.09Å; N50-L54 PolarHBondContact O-N 3.37Å; A51-L54 PolarHBondContact O-N 2.88Å; Y52-L54 VanDerWaalsContact C-N 3.27Å; Y52-L54 PolarHBondContact O-N 2.84Å; L54-L78 HydrophobicContact CD2-CD2 4.07Å |
| 55 | F | 93.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -98 | -35.5 | -167.3 | -63.2 | -52.4 | 0 | 0 | 0 | 113.8 | A51 Y52 P57 L58 V59 L76 L78 I154 L161 I163 | A51-F55 HydrophobicContact CB-CD2 3.92Å; A51-F55 HydrophobicContact CB-CE2 3.77Å; A51-F55 WeakPolarHBondContact O-CB 3.39Å; A51-F55 WeakPolarHBondContact O-CD2 3.06Å; A51-F55 WeakPolarHBondContact O-CG 3.3Å; A51-F55 PolarHBondContact O-N 3.47Å; Y52-F55 PolarHBondContact O-N 2.97Å; F55-P57 VanDerWaalsContact C-CD 3.49Å; F55-L58 HydrophobicContact CD1-CD1 4.33Å; F55-L58 VanDerWaalsContact O-CB 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.39Å; F55-L58 PolarHBondContact O-N 3.09Å; F55-V59 WeakPolarHBondContact O-CG2 3.36Å; F55-L76 HydrophobicContact CD1-CD1 4.24Å; F55-L76 HydrophobicContact CD1-CD2 4.48Å; F55-L76 HydrophobicContact CE1-CD1 3.96Å; F55-L76 HydrophobicContact CE1-CD2 4.24Å; F55-L78 HydrophobicContact CE1-CD1 3.88Å; F55-L78 HydrophobicContact CE1-CD2 3.98Å; F55-L78 HydrophobicContact CZ-CD1 3.68Å; F55-L78 HydrophobicContact CZ-CD2 3.62Å; F55-L78 HydrophobicContact CZ-CG 4.3Å; F55-I154 HydrophobicContact CB-CD1 4.36Å; F55-I154 HydrophobicContact CB-CG2 3.85Å; F55-I154 HydrophobicContact CD1-CD1 3.53Å; F55-I154 HydrophobicContact CD1-CG1 4.34Å; F55-I154 HydrophobicContact CE1-CD1 4.1Å; F55-I154 HydrophobicContact CG-CD1 4.12Å; F55-L161 HydrophobicContact CB-CD2 3.46Å; F55-L161 VanDerWaalsContact CB-CD2 3.46Å; F55-L161 HydrophobicContact CD2-CD2 4.13Å; F55-L161 HydrophobicContact CG-CD2 4.27Å; F55-I163 HydrophobicContact CD2-CD1 3.4Å; F55-I163 HydrophobicContact CD2-CG1 4.39Å; F55-I163 HydrophobicContact CE2-CD1 3.58Å; F55-I163 HydrophobicContact CG-CD1 4.4Å |
| 56 | M | 92.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | -176 | -173.3 | 57.8 | 81.7 | 0 | 0 | 113.1 | Y52 L58 V59 S60 P156 G160 L161 | Y52-M56 HydrophobicContact CD1-CB 4.13Å; Y52-M56 HydrophobicContact CD2-CE 4.1Å; Y52-M56 HydrophobicContact CE1-CB 3.98Å; Y52-M56 HydrophobicContact CE1-CE 4.46Å; Y52-M56 HydrophobicContact CE1-CG 3.94Å; Y52-M56 HydrophobicContact CE2-CE 3.29Å; Y52-M56 HydrophobicContact CE2-CG 4.39Å; Y52-M56 HydrophobicContact CG-CB 4.46Å; Y52-M56 WeakPolarHBondContact O-CB 3.43Å; Y52-M56 PolarHBondContact O-N 2.73Å; M56-L58 PolarHBondContact O-N 2.9Å; M56-V59 WeakPolarHBondContact O-CG2 3.17Å; M56-V59 PolarHBondContact O-N 2.82Å; M56-V59 VanDerWaalsContact O-N 3.11Å; M56-V59 HydrophobicContact SD-CG2 4.21Å; M56-S60 VanDerWaalsContact CG-OG 3.26Å; M56-S60 WeakPolarHBondContact CG-OG 3.27Å; M56-S60 WeakPolarHBondContact O-CB 3.28Å; M56-S60 PolarHBondContact O-N 3.04Å; M56-S60 PolarHBondContact O-OG 3.22Å; M56-S60 PolarHBondContact SD-OG 2.86Å; M56-P156 HydrophobicContact CE-CB 4.48Å; M56-P156 HydrophobicContact SD-CB 4.27Å; M56-P156 HydrophobicContact SD-CG 4.18Å; M56-G160 VanDerWaalsContact CE-O 3.28Å; M56-G160 WeakPolarHBondContact CE-O 3.37Å; M56-L161 HydrophobicContact CE-CB 3.84Å; M56-L161 HydrophobicContact CE-CD1 3.84Å; M56-L161 HydrophobicContact CE-CG 4.44Å; M56-L161 HydrophobicContact SD-CD1 4.19Å |
| 57 | P | 91.9 | Very high | 88 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -28 | 176.4 | -25.5 | 36.6 | 0 | 0 | 0 | 113.8 | L53 F55 V59 F66 | L53-P57 WeakPolarHBondContact O-CD 3.35Å; L53-P57 VanDerWaalsContact O-CG 3.29Å; L53-P57 WeakPolarHBondContact O-CG 3.26Å; F55-P57 VanDerWaalsContact C-CD 3.49Å; P57-V59 VanDerWaalsContact C-N 3.25Å; P57-V59 PolarHBondContact O-N 2.71Å; P57-F66 VanDerWaalsContact O-CZ 3.23Å; P57-F66 WeakPolarHBondContact O-CZ 3.48Å |
| 58 | L | 93.5 | Very high | 89 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.7 | -22.7 | -179.8 | -54 | 174.7 | 0 | 0 | 0 | 112.6 | F55 M56 L76 Y127 L132 | F55-L58 HydrophobicContact CD1-CD1 4.33Å; F55-L58 VanDerWaalsContact O-CB 3.3Å; F55-L58 WeakPolarHBondContact O-CB 3.39Å; F55-L58 PolarHBondContact O-N 3.09Å; M56-L58 PolarHBondContact O-N 2.9Å; L58-L76 HydrophobicContact CD1-CD1 4.29Å; L58-L76 HydrophobicContact CD1-CD2 3.75Å; L58-Y127 VanDerWaalsContact O-CE2 3.25Å; L58-Y127 WeakPolarHBondContact O-CE2 3.05Å; L58-Y127 VanDerWaalsContact O-CZ 3.25Å; L58-Y127 PolarHBondContact O-OH 3.27Å; L58-L132 HydrophobicContact CB-CD2 4.1Å |
| 59 | V | 93.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -120.7 | -3.6 | -171.8 | -70.6 | 0 | 0 | 0 | 0 | 114.6 | F55 M56 P57 Y127 L132 I154 P156 L161 | F55-V59 WeakPolarHBondContact O-CG2 3.36Å; M56-V59 WeakPolarHBondContact O-CG2 3.17Å; M56-V59 PolarHBondContact O-N 2.82Å; M56-V59 VanDerWaalsContact O-N 3.11Å; M56-V59 HydrophobicContact SD-CG2 4.21Å; P57-V59 VanDerWaalsContact C-N 3.25Å; P57-V59 PolarHBondContact O-N 2.71Å; V59-Y127 VanDerWaalsContact CA-OH 3.25Å; V59-Y127 WeakPolarHBondContact CA-OH 3.38Å; V59-L132 HydrophobicContact CG1-CB 3.53Å; V59-L132 HydrophobicContact CG1-CD2 4.39Å; V59-I154 HydrophobicContact CB-CG2 4.48Å; V59-I154 HydrophobicContact CG1-CB 4.17Å; V59-I154 HydrophobicContact CG1-CG2 3.76Å; V59-I154 HydrophobicContact CG2-CG2 3.88Å; V59-P156 HydrophobicContact CB-CG 3.67Å; V59-P156 HydrophobicContact CG2-CG 3.44Å; V59-P156 VanDerWaalsContact CG2-CG 3.44Å; V59-L161 HydrophobicContact CG2-CD1 3.91Å |
| 60 | S | 89.2 | Confident | 91.3 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -88.3 | -23.9 | -177.8 | -64.4 | 0 | 0 | 0 | 0 | 114.5 | M56 | M56-S60 VanDerWaalsContact CG-OG 3.26Å; M56-S60 WeakPolarHBondContact CG-OG 3.27Å; M56-S60 WeakPolarHBondContact O-CB 3.28Å; M56-S60 PolarHBondContact O-N 3.04Å; M56-S60 PolarHBondContact O-OG 3.22Å; M56-S60 PolarHBondContact SD-OG 2.86Å |
| 61 | D | 88.7 | Confident | 92.2 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | trans | -96.8 | 117.2 | -176.6 | -170.4 | -22.9 | 0 | 0 | 0 | 110.5 | R63 F66 | D61-R63 VanDerWaalsContact OD1-CB 3.28Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.18Å; D61-R63 PolarHBondContact OD1-N 2.83Å; D61-R63 IonicContact OD1-NE 3.05Å; D61-R63 PolarHBondContact OD1-NE 2.82Å; D61-R63 IonicContact OD2-CZ 3.25Å; D61-R63 VanDerWaalsContact OD2-CZ 3.25Å; D61-R63 IonicContact OD2-NE 3.04Å; D61-R63 PolarHBondContact OD2-NE 2.89Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 2.73Å; D61-F66 HydrophobicContact CB-CB 4.37Å; D61-F66 HydrophobicContact CB-CD1 3.56Å; D61-F66 HydrophobicContact CB-CD2 4.18Å; D61-F66 HydrophobicContact CB-CE1 3.78Å; D61-F66 HydrophobicContact CB-CE2 4.38Å; D61-F66 HydrophobicContact CB-CG 3.76Å; D61-F66 HydrophobicContact CB-CZ 4.19Å | ||
| 62 | S | 86.3 | Confident | 92.6 | Very high | 84 Ų | 84 | 67.1 Ų | 67.1 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | trans | -86.8 | -4.2 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 63 | R | 93.3 | Very high | 92.9 | Very high | 149 Ų | 149 | 70 Ų | 70 | 56% | 0.562 | 36% | 0.358 | S | S | * | . | trans | -64 | 131 | -177.3 | -67.9 | 178.4 | -66.3 | 166.8 | 0.7 | 110.7 | D61 E65 F66 R67 | D61-R63 VanDerWaalsContact OD1-CB 3.28Å; D61-R63 WeakPolarHBondContact OD1-CB 3.5Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.18Å; D61-R63 PolarHBondContact OD1-N 2.83Å; D61-R63 IonicContact OD1-NE 3.05Å; D61-R63 PolarHBondContact OD1-NE 2.82Å; D61-R63 IonicContact OD2-CZ 3.25Å; D61-R63 VanDerWaalsContact OD2-CZ 3.25Å; D61-R63 IonicContact OD2-NE 3.04Å; D61-R63 PolarHBondContact OD2-NE 2.89Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 2.73Å; R63-E65 VanDerWaalsContact C-N 3.28Å; R63-E65 PolarHBondContact O-N 3.28Å; R63-F66 HydrophobicContact CB-CB 4.2Å; R63-F66 WeakPolarHBondContact O-CB 3.16Å; R63-F66 PolarHBondContact O-N 3.05Å; R63-R67 PolarHBondContact O-N 2.9Å | ||
| 64 | P | 93 | Very high | 93.3 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54 | -42.6 | -178.9 | -27.8 | 35.5 | 0 | 0 | 0 | 113.4 | F66 R67 E68 | P64-F66 VanDerWaalsContact C-N 3.28Å; P64-F66 PolarHBondContact O-N 2.8Å; P64-R67 PolarHBondContact O-N 2.76Å; P64-R67 VanDerWaalsContact O-N 3.17Å; P64-E68 WeakPolarHBondContact O-CG 3.39Å; P64-E68 PolarHBondContact O-N 3.17Å |
| 65 | E | 95.4 | Very high | 93.5 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -35.7 | -179 | -54 | 81 | -176.5 | 0 | 0 | 111.4 | R63 N69 | R63-E65 VanDerWaalsContact C-N 3.28Å; R63-E65 PolarHBondContact O-N 3.28Å; E65-N69 WeakPolarHBondContact O-CB 3.4Å; E65-N69 PolarHBondContact O-N 3.04Å; E65-N69 PolarHBondContact O-ND2 3.46Å |
| 66 | F | 94.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 23% | 0.232 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 174.4 | -179.9 | -89.8 | 0 | 0 | 0 | 110.8 | P57 D61 R63 P64 E68 N69 V70 | P57-F66 VanDerWaalsContact O-CZ 3.23Å; P57-F66 WeakPolarHBondContact O-CZ 3.48Å; D61-F66 HydrophobicContact CB-CB 4.37Å; D61-F66 HydrophobicContact CB-CD1 3.56Å; D61-F66 HydrophobicContact CB-CD2 4.18Å; D61-F66 HydrophobicContact CB-CE1 3.78Å; D61-F66 HydrophobicContact CB-CE2 4.38Å; D61-F66 HydrophobicContact CB-CG 3.76Å; D61-F66 HydrophobicContact CB-CZ 4.19Å; R63-F66 HydrophobicContact CB-CB 4.2Å; R63-F66 WeakPolarHBondContact O-CB 3.16Å; R63-F66 PolarHBondContact O-N 3.05Å; P64-F66 VanDerWaalsContact C-N 3.28Å; P64-F66 PolarHBondContact O-N 2.8Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.39Å; F66-N69 WeakPolarHBondContact O-CB 3.38Å; F66-N69 PolarHBondContact O-N 3.46Å; F66-N69 VanDerWaalsContact O-N 3.15Å; F66-V70 HydrophobicContact CD1-CG2 3.93Å; F66-V70 HydrophobicContact CE1-CG2 3.44Å; F66-V70 VanDerWaalsContact CE1-CG2 3.44Å; F66-V70 HydrophobicContact CE2-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.76Å; F66-V70 WeakPolarHBondContact O-CG2 3.32Å; F66-V70 PolarHBondContact O-N 3.23Å |
| 67 | R | 94.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 70.9 Ų | 70.9 | 17% | 0.17 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 178.7 | -65 | -176.7 | 174.1 | 178.6 | -1 | 111.8 | R63 P64 V70 L71 Y127 D129 | R63-R67 PolarHBondContact O-N 2.9Å; P64-R67 PolarHBondContact O-N 2.76Å; P64-R67 VanDerWaalsContact O-N 3.17Å; R67-V70 PolarHBondContact O-N 2.82Å; R67-L71 WeakPolarHBondContact O-CB 3.31Å; R67-L71 WeakPolarHBondContact O-CG 3.49Å; R67-L71 PolarHBondContact O-N 3.09Å; R67-Y127 HydrophobicContact CB-CD1 4.39Å; R67-Y127 HydrophobicContact CB-CD2 3.92Å; R67-Y127 HydrophobicContact CB-CE2 4.15Å; R67-Y127 HydrophobicContact CB-CG 4.06Å; R67-Y127 HydrophobicContact CG-CD1 3.91Å; R67-Y127 HydrophobicContact CG-CD2 4.06Å; R67-Y127 HydrophobicContact CG-CE1 3.77Å; R67-Y127 HydrophobicContact CG-CE2 3.91Å; R67-Y127 HydrophobicContact CG-CG 4.07Å; R67-D129 IonicContact CZ-OD1 3.76Å; R67-D129 IonicContact NH1-OD1 2.83Å; R67-D129 PolarHBondContact NH1-OD1 2.78Å; R67-D129 PolarHBondContact NH2-O 2.88Å; R67-D129 IonicContact NH2-OD1 3.47Å |
| 68 | E | 94.9 | Very high | 93.1 | Very high | 124 Ų | 124 | 67.7 Ų | 67.7 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.3 | -42.7 | 174.9 | -73.5 | 179.5 | 179.2 | 0 | 0 | 112 | P64 F66 L71 R72 | P64-E68 WeakPolarHBondContact O-CG 3.39Å; P64-E68 PolarHBondContact O-N 3.17Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.39Å; E68-L71 PolarHBondContact O-N 2.92Å; E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 2.86Å |
| 69 | N | 97 | Very high | 92.8 | Very high | 70 Ų | 70 | 66.8 Ų | 66.8 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 175.5 | -69.2 | -27.5 | 0 | 0 | 0 | 111.7 | E65 F66 R72 D73 | E65-N69 WeakPolarHBondContact O-CB 3.4Å; E65-N69 PolarHBondContact O-N 3.04Å; E65-N69 PolarHBondContact O-ND2 3.46Å; F66-N69 WeakPolarHBondContact O-CB 3.38Å; F66-N69 PolarHBondContact O-N 3.46Å; F66-N69 VanDerWaalsContact O-N 3.15Å; N69-R72 PolarHBondContact O-N 3.46Å; N69-R72 PolarHBondContact OD1-NH2 3.27Å; N69-D73 WeakPolarHBondContact O-CB 3.46Å; N69-D73 PolarHBondContact O-N 3.2Å |
| 70 | V | 96.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | F66 R67 R72 C74 P124 Y127 L132 | F66-V70 HydrophobicContact CD1-CG2 3.93Å; F66-V70 HydrophobicContact CE1-CG2 3.44Å; F66-V70 VanDerWaalsContact CE1-CG2 3.44Å; F66-V70 HydrophobicContact CE2-CG2 4.48Å; F66-V70 HydrophobicContact CZ-CG2 3.76Å; F66-V70 WeakPolarHBondContact O-CG2 3.32Å; F66-V70 PolarHBondContact O-N 3.23Å; R67-V70 PolarHBondContact O-N 2.82Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.1Å; V70-C74 HydrophobicContact CG1-CB 4.12Å; V70-C74 WeakPolarHBondContact O-CB 3.31Å; V70-C74 PolarHBondContact O-N 3.42Å; V70-C74 VanDerWaalsContact O-N 3.12Å; V70-P124 HydrophobicContact CG1-CG 4.22Å; V70-Y127 HydrophobicContact CB-CD2 4.24Å; V70-Y127 HydrophobicContact CB-CE2 4.05Å; V70-Y127 HydrophobicContact CG1-CD2 4.12Å; V70-Y127 HydrophobicContact CG1-CE2 3.97Å; V70-Y127 HydrophobicContact CG2-CE2 4.33Å; V70-L132 HydrophobicContact CG1-CD1 4.21Å; V70-L132 HydrophobicContact CG1-CD2 3.82Å |
| 71 | L | 96.2 | Very high | 91.9 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 178.9 | -77.6 | 170.1 | 0 | 0 | 0 | 112.6 | R67 E68 K123 P124 | R67-L71 WeakPolarHBondContact O-CB 3.31Å; R67-L71 WeakPolarHBondContact O-CG 3.49Å; R67-L71 PolarHBondContact O-N 3.09Å; E68-L71 PolarHBondContact O-N 2.92Å; L71-K123 PolarHBondContact O-NZ 2.98Å; L71-P124 HydrophobicContact CD2-CB 4.01Å |
| 72 | R | 95.2 | Very high | 91 | Very high | 152 Ų | 152 | 66 Ų | 66 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -79.1 | -52.5 | -179.1 | -169.2 | -177.2 | 62.4 | -131.6 | -10.8 | 112.2 | E68 N69 V70 K123 | E68-R72 WeakPolarHBondContact O-CB 3.48Å; E68-R72 PolarHBondContact O-N 2.86Å; N69-R72 PolarHBondContact O-N 3.46Å; N69-R72 PolarHBondContact OD1-NH2 3.27Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.1Å; R72-K123 WeakPolarHBondContact O-CE 3.2Å; R72-K123 PolarHBondContact O-NZ 3.2Å |
| 73 | D | 95.1 | Very high | 90 | Very high | 104 Ų | 104 | 69.8 Ų | 69.8 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -103 | -22.9 | -160.3 | -55 | -31.7 | 0 | 0 | 0 | 113.8 | N69 | N69-D73 WeakPolarHBondContact O-CB 3.46Å; N69-D73 PolarHBondContact O-N 3.2Å |
| 74 | C | 94.7 | Very high | 88.5 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | -76 | 139.6 | -176 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | V70 K123 P124 | V70-C74 HydrophobicContact CG1-CB 4.12Å; V70-C74 WeakPolarHBondContact O-CB 3.31Å; V70-C74 PolarHBondContact O-N 3.42Å; V70-C74 VanDerWaalsContact O-N 3.12Å; C74-K123 WeakPolarHBondContact O-CD 3.3Å; C74-K123 PolarHBondContact O-NZ 3.12Å; C74-P124 HydrophobicContact CB-CG 4.01Å; C74-P124 WeakPolarHBondContact O-CD 3.18Å | ||
| 75 | M | 93.8 | Very high | 86.8 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 36% | 0.36 | 31% | 0.313 | S | S | . | . | trans | -142.3 | 119.6 | 168.4 | -177.4 | 69.9 | 77.7 | 0 | 0 | 108.7 | H77 P121 F122 K123 M137 | M75-H77 WeakPolarHBondContact CG-CE1 3.39Å; M75-P121 HydrophobicContact CG-CB 4.28Å; M75-P121 HydrophobicContact SD-CB 3.79Å; M75-F122 VanDerWaalsContact SD-C 3.55Å; M75-K123 HydrophobicContact CE-CB 4Å; M75-K123 HydrophobicContact CE-CD 3.55Å; M75-K123 HydrophobicContact CE-CG 4.34Å; M75-K123 HydrophobicContact SD-CB 3.93Å; M75-K123 HydrophobicContact SD-CD 4.14Å; M75-M137 HydrophobicContact CE-CG 4.04Å; M75-M137 HydrophobicContact SD-CG 4.18Å | ||
| 76 | L | 92.3 | Very high | 84.5 | Confident | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.1 | -179.3 | -59.2 | 171.2 | 0 | 0 | 0 | 109.6 | F55 L58 L78 P121 F122 L152 I154 | F55-L76 HydrophobicContact CD1-CD1 4.24Å; F55-L76 HydrophobicContact CD1-CD2 4.48Å; F55-L76 HydrophobicContact CE1-CD1 3.96Å; F55-L76 HydrophobicContact CE1-CD2 4.24Å; L58-L76 HydrophobicContact CD1-CD1 4.29Å; L58-L76 HydrophobicContact CD1-CD2 3.75Å; L76-L78 HydrophobicContact CB-CD1 4.21Å; L76-L78 HydrophobicContact CB-CG 4.1Å; L76-P121 CarbonylContact O-C 3.54Å; L76-P121 VanDerWaalsContact O-CA 3.28Å; L76-P121 WeakPolarHBondContact O-CA 3.46Å; L76-F122 HydrophobicContact CB-CB 4.24Å; L76-F122 PolarHBondContact N-O 2.8Å; L76-F122 PolarHBondContact O-N 3.19Å; L76-L152 HydrophobicContact CD1-CD2 4.47Å; L76-I154 HydrophobicContact CD1-CD1 3.7Å |
| 77 | H | 89.5 | Confident | 82.2 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 99.3 | 177.3 | -68.5 | 82.9 | 0 | 0 | 0 | 108.8 | M75 K119 R120 | M75-H77 WeakPolarHBondContact CG-CE1 3.39Å; H77-K119 HydrophobicContact CB-CB 4.08Å; H77-R120 CarbonylContact C-O 3.46Å; H77-R120 WeakPolarHBondContact CA-O 3.49Å |
| 78 | L | 88.9 | Confident | 79.9 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.5 | -166.9 | -56.9 | 176.8 | 0 | 0 | 0 | 111.9 | W47 L54 F55 L76 I80 R120 F122 L152 | W47-L78 HydrophobicContact CZ3-CD2 4.25Å; L54-L78 HydrophobicContact CD2-CD2 4.07Å; F55-L78 HydrophobicContact CE1-CD1 3.88Å; F55-L78 HydrophobicContact CE1-CD2 3.98Å; F55-L78 HydrophobicContact CZ-CD1 3.68Å; F55-L78 HydrophobicContact CZ-CD2 3.62Å; F55-L78 HydrophobicContact CZ-CG 4.3Å; L76-L78 HydrophobicContact CB-CD1 4.21Å; L76-L78 HydrophobicContact CB-CG 4.1Å; L78-I80 HydrophobicContact CB-CD1 4.04Å; L78-I80 HydrophobicContact CB-CG1 3.94Å; L78-I80 HydrophobicContact CD1-CD1 3.96Å; L78-I80 PolarHBondContact O-N 2.9Å; L78-R120 PolarHBondContact N-O 3.2Å; L78-R120 PolarHBondContact O-N 2.9Å; L78-F122 HydrophobicContact CB-CD2 4.24Å; L78-F122 HydrophobicContact CB-CE2 4.29Å; L78-F122 HydrophobicContact CD1-CD2 4.25Å; L78-F122 HydrophobicContact CG-CD2 4.45Å; L78-L152 HydrophobicContact CD1-CD2 3.39Å |
| 79 | P | 86.1 | Confident | 77.5 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | trans | -80 | 49.1 | 179.5 | 32.9 | -33.4 | 0 | 0 | 0 | 112.4 | W47 T117 K119 | W47-P79 HydrophobicContact CB-CB 4.44Å; W47-P79 HydrophobicContact CB-CG 3.51Å; W47-P79 HydrophobicContact CD2-CG 3.52Å; W47-P79 HydrophobicContact CE3-CG 3.51Å; W47-P79 HydrophobicContact CG-CG 3.54Å; W47-P79 HydrophobicContact CZ3-CG 4.42Å; P79-T117 HydrophobicContact CB-CG2 3.43Å; P79-T117 VanDerWaalsContact CB-CG2 3.43Å; P79-K119 HydrophobicContact CB-CG 4.28Å | ||
| 80 | I | 85.2 | Confident | 75 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | trans | -83.1 | 121.8 | 179.1 | -61.3 | 175.1 | 0 | 0 | 0 | 109 | L41 W47 L78 R120 F122 L152 H165 | L41-I80 HydrophobicContact CD2-CD1 3.94Å; L41-I80 HydrophobicContact CD2-CG1 3.97Å; L41-I80 HydrophobicContact CD2-CG2 4.43Å; W47-I80 HydrophobicContact CH2-CG1 4.38Å; W47-I80 HydrophobicContact CZ2-CG1 4.25Å; L78-I80 HydrophobicContact CB-CD1 4.04Å; L78-I80 HydrophobicContact CB-CG1 3.94Å; L78-I80 HydrophobicContact CD1-CD1 3.96Å; L78-I80 PolarHBondContact O-N 2.9Å; I80-R120 WeakPolarHBondContact O-CD 3.37Å; I80-R120 PolarHBondContact O-NH1 3.01Å; I80-F122 HydrophobicContact CB-CE2 4.37Å; I80-F122 HydrophobicContact CB-CZ 4.43Å; I80-F122 HydrophobicContact CD1-CE2 3.92Å; I80-F122 HydrophobicContact CD1-CZ 4.04Å; I80-F122 HydrophobicContact CG1-CE2 4.47Å; I80-L152 HydrophobicContact CD1-CD1 3.69Å; I80-L152 HydrophobicContact CD1-CD2 4.44Å; I80-H165 HydrophobicContact CG2-CB 4.48Å | ||
| 81 | P | 78.7 | Confident | 72.6 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -65.7 | 144.9 | -178.7 | 27.1 | -34 | 0 | 0 | 0 | 112.1 | T40 K83 | T40-P81 HydrophobicContact CG2-CG 4.16Å; T40-P81 VanDerWaalsContact O-CD 3.3Å; T40-P81 WeakPolarHBondContact O-CD 3.46Å; P81-K83 VanDerWaalsContact C-N 3.27Å; P81-K83 PolarHBondContact O-N 3.29Å | ||
| 82 | L | 70.5 | Confident | 70.1 | Confident | 65 Ų | 65 | 68 Ų | 68 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -65.7 | -29.9 | 177.4 | -75.4 | 168.4 | 0 | 0 | 0 | 113 | R120 F139 | L82-R120 VanDerWaalsContact CD2-CZ 3.41Å; L82-F139 HydrophobicContact CD1-CZ 4.29Å; L82-F139 HydrophobicContact CD2-CE1 4.42Å; L82-F139 HydrophobicContact CD2-CZ 4.3Å; L82-F139 HydrophobicContact CG-CZ 4.43Å |
| 83 | K | 65.3 | Low | 67.8 | Low | 163 Ų | 163 | 66.2 Ų | 66.2 | 71% | 0.709 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -121.6 | 147.1 | -178.5 | -64.7 | -179.9 | -176.5 | 167.6 | 0 | 109.2 | P81 | P81-K83 VanDerWaalsContact C-N 3.27Å; P81-K83 PolarHBondContact O-N 3.29Å |
| 84 | M | 61.8 | Low | 65 | Low | 83 Ų | 83 | 63.5 Ų | 63.5 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | trans | -58.7 | 130.1 | 174.8 | -161.1 | 176.3 | -169.6 | 0 | 0 | 108.8 | G39 S86 V88 | G39-M84 VanDerWaalsContact CA-CE 3.48Å; M84-S86 PolarHBondContact O-N 3.25Å; M84-V88 HydrophobicContact CE-CG2 3.72Å | ||
| 85 | P | 56.4 | Low | 62.3 | Low | 43 Ų | 43 | 68.8 Ų | 68.8 | 28% | 0.279 | 40% | 0.398 | S | S | . | . | trans | -57.2 | 141.8 | 166.6 | 22.7 | -29.4 | 0 | 0 | 0 | 108.5 | G39 T87 | G39-P85 WeakPolarHBondContact O-CG 3.41Å; P85-T87 PolarHBondContact O-N 2.81Å | ||
| 86 | S | 46.7 | Very low | 59.4 | Low | 129 Ų | 129 | 74.2 Ų | 74.2 | 90% | 0.902 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -60.1 | -15.5 | -178.4 | 37 | 0 | 0 | 0 | 0 | 113.3 | M84 | M84-S86 PolarHBondContact O-N 3.25Š|
| 87 | T | 46.4 | Very low | 56.9 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 58% | 0.577 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -112.9 | 117 | 179.1 | 37 | 0 | 0 | 0 | 0 | 111.3 | P85 T89 | P85-T87 PolarHBondContact O-N 2.81Å; T87-T89 PolarHBondContact O-N 3.14Å |
| 88 | V | 46 | Very low | 54.2 | Low | 83 Ų | 83 | 79.9 Ų | 79.9 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | trans | -78.5 | 99.1 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | F38 M84 V90 | F38-V88 HydrophobicContact CD1-CG1 3.98Å; M84-V88 HydrophobicContact CE-CG2 3.72Å; V88-V90 HydrophobicContact CG1-CG2 4.09Å; V88-V90 PolarHBondContact O-N 3.09Å | ||
| 89 | T | 45.5 | Very low | 51.7 | Low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | trans | -84.3 | 107.1 | 168.2 | 25.8 | 0 | 0 | 0 | 0 | 109.3 | H37 S42 T87 G91 | H37-T89 PolarHBondContact CE1-O 2.99Å; H37-T89 PolarHBondContact ND1-O 2.8Å; S42-T89 WeakPolarHBondContact CB-OG1 3.24Å; T87-T89 PolarHBondContact O-N 3.14Å; T89-G91 PolarHBondContact O-N 3.43Å | ||
| 90 | V | 43.7 | Very low | 49.5 | Very low | 64 Ų | 64 | 96.7 Ų | 96.7 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | trans | -85.6 | 95.7 | 166.5 | -174.7 | 0 | 0 | 0 | 0 | 107.4 | I8 F38 V88 L92 | I8-V90 HydrophobicContact CD1-CG1 3.58Å; F38-V90 HydrophobicContact CD1-CG2 4Å; F38-V90 HydrophobicContact CE1-CB 4.35Å; F38-V90 HydrophobicContact CE1-CG1 4.08Å; F38-V90 HydrophobicContact CE1-CG2 3.58Å; F38-V90 HydrophobicContact CZ-CG1 4.49Å; V88-V90 HydrophobicContact CG1-CG2 4.09Å; V88-V90 PolarHBondContact O-N 3.09Å; V90-L92 HydrophobicContact CG1-CG 4.08Å; V90-L92 PolarHBondContact O-N 3.2Å | ||
| 91 | G | 46.2 | Very low | 47.4 | Very low | 12 Ų | 12 | 99.9 Ų | 99.9 | 12% | 0.124 | 54% | 0.539 | C | S | . | . | trans | -77.1 | 116.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | H37 T89 | H37-G91 PolarHBondContact CE1-N 3.19Å; H37-G91 VanDerWaalsContact CE1-N 3.3Å; H37-G91 WeakPolarHBondContact NE2-CA 3.43Å; T89-G91 PolarHBondContact O-N 3.43Å | ||
| 92 | L | 44.1 | Very low | 45.4 | Very low | 88 Ų | 88 | 103.6 Ų | 103.6 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | trans | -108.7 | 58 | 164 | -72.9 | 179.7 | 0 | 0 | 0 | 108 | V4 I8 I36 V90 G94 | V4-L92 HydrophobicContact CG1-CD1 3.93Å; V4-L92 HydrophobicContact CG1-CD2 3.35Å; V4-L92 HydrophobicContact CG1-CG 4.29Å; I8-L92 HydrophobicContact CD1-CD1 4.2Å; I8-L92 HydrophobicContact CD1-CD2 4.22Å; I8-L92 HydrophobicContact CD1-CG 4.42Å; I36-L92 HydrophobicContact CG1-CD2 4.35Å; V90-L92 HydrophobicContact CG1-CG 4.08Å; V90-L92 PolarHBondContact O-N 3.2Å; L92-G94 PolarHBondContact O-N 3.39Å | ||
| 93 | D | 46.4 | Very low | 44 | Very low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 22.7 | -177.9 | -81.6 | -8 | 0 | 0 | 0 | 113.1 | V95 | D93-V95 PolarHBondContact O-N 2.94Š|
| 94 | G | 37.5 | Very low | 42.8 | Very low | 48 Ų | 48 | 103.8 Ų | 103.8 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -10.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | L92 | L92-G94 PolarHBondContact O-N 3.39Š|
| 95 | V | 37.5 | Very low | 41.9 | Very low | 134 Ų | 134 | 104.7 Ų | 104.7 | 81% | 0.812 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -141.4 | -24.4 | -176 | -170.7 | 0 | 0 | 0 | 0 | 117.4 | D93 | D93-V95 PolarHBondContact O-N 2.94Š|
| 96 | E | 33.7 | Very low | 41.2 | Very low | 186 Ų | 186 | 110.3 Ų | 110.3 | 87% | 0.869 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -138.9 | 12.2 | -165.6 | -102.4 | 172 | -178.5 | 0 | 0 | 119.4 | ||
| 97 | S | 38 | Very low | 40.9 | Very low | 45 Ų | 45 | 113.7 Ų | 113.7 | 32% | 0.315 | 58% | 0.582 | S | S | . | * | trans | -120.1 | 76.3 | -175.5 | 177.2 | 0 | 0 | 0 | 0 | 114.1 | R99 K100 | S97-R99 VanDerWaalsContact C-N 3.29Å; S97-K100 WeakPolarHBondContact OG-CB 3.45Å; S97-K100 PolarHBondContact OG-N 2.86Å | ||
| 98 | Q | 33.3 | Very low | 40.6 | Very low | 192 Ų | 192 | 113.3 Ų | 113.3 | 90% | 0.897 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -89 | 4.7 | 151.3 | -107.8 | -174.5 | -4.4 | 0 | 0 | 112.4 | ||
| 99 | R | 37.3 | Very low | 40.4 | Very low | 237 Ų | 237 | 115.4 Ų | 115.4 | 89% | 0.894 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -114.6 | -7.2 | -176.3 | -99.3 | -176.8 | 169.6 | 164.3 | -2.2 | 116.1 | S97 | S97-R99 VanDerWaalsContact C-N 3.29Š|
| 100 | K | 38.7 | Very low | 40.1 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -104.6 | -3 | -177.3 | -123.1 | 177.7 | -172.1 | -177.4 | 0 | 114.3 | S97 D102 L104 | S97-K100 WeakPolarHBondContact OG-CB 3.45Å; S97-K100 PolarHBondContact OG-N 2.86Å; K100-D102 VanDerWaalsContact C-N 3.3Å; K100-D102 PolarHBondContact O-N 3.26Å; K100-L104 PolarHBondContact O-N 3.47Å |
| 101 | T | 41.1 | Very low | 40 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 43% | 0.429 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | 178.2 | -19.7 | 0 | 0 | 0 | 0 | 111.7 | L105 | T101-L105 VanDerWaalsContact O-CG 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.32Å; T101-L105 PolarHBondContact O-N 3.45Å; T101-L105 VanDerWaalsContact O-N 3.1Å |
| 102 | D | 38.4 | Very low | 39.5 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.2 | -38.4 | -178.1 | -64.4 | -17.8 | 0 | 0 | 0 | 112 | K100 L104 L105 E106 | K100-D102 VanDerWaalsContact C-N 3.3Å; K100-D102 PolarHBondContact O-N 3.26Å; D102-L104 PolarHBondContact O-N 3.26Å; D102-L105 PolarHBondContact O-N 3.14Å; D102-E106 PolarHBondContact O-N 2.54Å |
| 103 | E | 40.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.9 | -29.4 | 176 | -92.8 | -174.6 | 162.9 | 0 | 0 | 113.4 | ||
| 104 | L | 39.4 | Very low | 39 | Very low | 100 Ų | 100 | 131 Ų | 131 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -79.9 | -32.6 | 176.7 | -84.1 | 168.7 | 0 | 0 | 0 | 112.4 | K100 D102 R107 L108 | K100-L104 PolarHBondContact O-N 3.47Å; D102-L104 PolarHBondContact O-N 3.26Å; L104-R107 PolarHBondContact O-N 3.28Å; L104-L108 WeakPolarHBondContact O-CB 3Å; L104-L108 PolarHBondContact O-N 3.13Å |
| 105 | L | 42 | Very low | 39.3 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 53% | 0.529 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.9 | -41.8 | 174.7 | -76.4 | 166.2 | 0 | 0 | 0 | 111.3 | T101 D102 R107 L108 D109 | T101-L105 VanDerWaalsContact O-CG 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.32Å; T101-L105 PolarHBondContact O-N 3.45Å; T101-L105 VanDerWaalsContact O-N 3.1Å; D102-L105 PolarHBondContact O-N 3.14Å; L105-R107 VanDerWaalsContact C-N 3.25Å; L105-R107 PolarHBondContact O-N 3.47Å; L105-L108 PolarHBondContact O-N 2.84Å; L105-D109 PolarHBondContact O-N 3.45Å |
| 106 | E | 41.9 | Very low | 39.8 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.2 | -27 | 175.9 | -75.7 | -171.1 | 168.2 | 0 | 0 | 113.5 | D102 | D102-E106 PolarHBondContact O-N 2.54Å |
| 107 | R | 40.9 | Very low | 41.2 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 76% | 0.758 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -85.2 | -23.8 | 174.6 | -67.5 | -172.6 | 73.2 | -177.9 | 1.3 | 113.3 | L104 L105 | L104-R107 PolarHBondContact O-N 3.28Å; L105-R107 VanDerWaalsContact C-N 3.25Å; L105-R107 PolarHBondContact O-N 3.47Å |
| 108 | L | 40.6 | Very low | 42.7 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 45% | 0.45 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -78.2 | -30.2 | 180 | -127.9 | 81.3 | 0 | 0 | 0 | 112.8 | L46 L104 L105 N110 E111 T112 | L46-L108 HydrophobicContact CD2-CD2 4.32Å; L104-L108 WeakPolarHBondContact O-CB 3Å; L104-L108 PolarHBondContact O-N 3.13Å; L105-L108 PolarHBondContact O-N 2.84Å; L108-N110 PolarHBondContact O-N 2.88Å; L108-N110 VanDerWaalsContact O-N 3.13Å; L108-E111 PolarHBondContact O-N 3.46Å; L108-T112 PolarHBondContact O-N 2.91Å |
| 109 | D | 40.6 | Very low | 45.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -61.1 | -24 | 179.2 | -90.5 | -5.7 | 0 | 0 | 0 | 112.7 | L105 T112 | L105-D109 PolarHBondContact O-N 3.45Å; D109-T112 PolarHBondContact O-OG1 3.28Å; D109-T112 VanDerWaalsContact O-OG1 3.1Å |
| 110 | N | 40.7 | Very low | 47.5 | Very low | 153 Ų | 153 | 118.9 Ų | 118.9 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -87.7 | -9.3 | 177.6 | -101.7 | -5.5 | 0 | 0 | 0 | 115.1 | L108 | L108-N110 PolarHBondContact O-N 2.88Å; L108-N110 VanDerWaalsContact O-N 3.13Å |
| 111 | E | 39.9 | Very low | 49.9 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -121.3 | 33.2 | 176.7 | -70.2 | -172.2 | -177.8 | 0 | 0 | 111.6 | L108 E113 | L108-E111 PolarHBondContact O-N 3.46Å; E111-E113 PolarHBondContact O-N 3.13Å |
| 112 | T | 37.6 | Very low | 52.4 | Low | 102 Ų | 102 | 110.2 Ų | 110.2 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | trans | -70.2 | 47.2 | 156.2 | 30.9 | 0 | 0 | 0 | 0 | 110.9 | L108 D109 I114 | L108-T112 PolarHBondContact O-N 2.91Å; D109-T112 PolarHBondContact O-OG1 3.28Å; D109-T112 VanDerWaalsContact O-OG1 3.1Å; T112-I114 PolarHBondContact O-N 3.12Å | ||
| 113 | E | 37.6 | Very low | 55.1 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | trans | -56.2 | 97.5 | 133.2 | -82 | -169.7 | 166.6 | 0 | 0 | 103.9 | E111 Y115 | E111-E113 PolarHBondContact O-N 3.13Å; E113-Y115 HydrophobicContact CB-CD2 4.32Å; E113-Y115 HydrophobicContact CB-CE2 4.18Å; E113-Y115 VanDerWaalsContact O-CD2 3.23Å; E113-Y115 WeakPolarHBondContact O-CD2 3.47Å; E113-Y115 PolarHBondContact O-N 2.9Å | ||
| 114 | I | 41 | Very low | 57.7 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | trans | -56.2 | 84.3 | 161.3 | -58.8 | 164.7 | 0 | 0 | 0 | 102.5 | T112 H116 | T112-I114 PolarHBondContact O-N 3.12Å; I114-H116 PolarHBondContact O-N 3.48Å | ||
| 115 | Y | 44.2 | Very low | 60.3 | Low | 160 Ų | 160 | 99.7 Ų | 99.7 | 63% | 0.627 | 48% | 0.483 | S | S | * | . | trans | -53.3 | 106 | 163.4 | -77.5 | -88.5 | 0 | 0 | 0 | 101.1 | E113 T117 | E113-Y115 HydrophobicContact CB-CD2 4.32Å; E113-Y115 HydrophobicContact CB-CE2 4.18Å; E113-Y115 VanDerWaalsContact O-CD2 3.23Å; E113-Y115 WeakPolarHBondContact O-CD2 3.47Å; E113-Y115 PolarHBondContact O-N 2.9Å; Y115-T117 WeakPolarHBondContact CB-OG1 3.45Å; Y115-T117 PolarHBondContact O-N 3.03Å; Y115-T117 PolarHBondContact O-OG1 3.03Å | ||
| 116 | H | 47.2 | Very low | 62.8 | Low | 168 Ų | 168 | 98.1 Ų | 98.1 | 78% | 0.778 | 48% | 0.475 | S | S | * | . | trans | -62.6 | 78.5 | 157.6 | -79.4 | -43.7 | 0 | 0 | 0 | 103.7 | I114 I118 | I114-H116 PolarHBondContact O-N 3.48Å; H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 3.28Å | ||
| 117 | T | 63.1 | Low | 65.3 | Low | 68 Ų | 68 | 92 Ų | 92 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | trans | -75.5 | 98.9 | -172.1 | -33.6 | 0 | 0 | 0 | 0 | 104.4 | P79 Y115 K119 | P79-T117 HydrophobicContact CB-CG2 3.43Å; P79-T117 VanDerWaalsContact CB-CG2 3.43Å; Y115-T117 WeakPolarHBondContact CB-OG1 3.45Å; Y115-T117 PolarHBondContact O-N 3.03Å; Y115-T117 PolarHBondContact O-OG1 3.03Å; T117-K119 PolarHBondContact O-N 2.8Å | ||
| 118 | I | 71.2 | Confident | 67.7 | Low | 65 Ų | 65 | 84.6 Ų | 84.6 | 33% | 0.333 | 42% | 0.422 | S | S | . | . | trans | -55 | 118.4 | -176 | -61.7 | 117.5 | 0 | 0 | 0 | 108.1 | H116 R120 F139 D141 | H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 3.28Å; I118-R120 PolarHBondContact O-N 2.8Å; I118-F139 HydrophobicContact CG2-CD2 3.8Å; I118-F139 HydrophobicContact CG2-CE2 3.58Å; I118-D141 HydrophobicContact CD1-CB 4.18Å; I118-D141 WeakPolarHBondContact CD1-OD1 3.03Å; I118-D141 WeakPolarHBondContact CD1-OD2 3.48Å; I118-D141 HydrophobicContact CG1-CB 4.22Å; I118-D141 VanDerWaalsContact CG1-CG 3.45Å; I118-D141 VanDerWaalsContact CG1-OD1 3.29Å; I118-D141 WeakPolarHBondContact CG1-OD1 3.23Å; I118-D141 HydrophobicContact CG2-CB 4.32Å | ||
| 119 | K | 84.3 | Confident | 70 | Confident | 123 Ų | 123 | 87.2 Ų | 87.2 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | trans | -79.3 | 110.1 | 177.6 | -68.7 | -168.9 | 175.7 | -166.8 | 0 | 108.4 | H77 P79 T117 | H77-K119 HydrophobicContact CB-CB 4.08Å; P79-K119 HydrophobicContact CB-CG 4.28Å; T117-K119 PolarHBondContact O-N 2.8Å | ||
| 120 | R | 85.5 | Confident | 72.3 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.015 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.8 | -177.5 | -56.1 | 174.5 | 60.4 | -154.5 | -6.2 | 109.7 | H77 L78 I80 L82 I118 F122 F139 D150 | H77-R120 CarbonylContact C-O 3.46Å; H77-R120 WeakPolarHBondContact CA-O 3.49Å; L78-R120 PolarHBondContact N-O 3.2Å; L78-R120 PolarHBondContact O-N 2.9Å; I80-R120 WeakPolarHBondContact O-CD 3.37Å; I80-R120 PolarHBondContact O-NH1 3.01Å; L82-R120 VanDerWaalsContact CD2-CZ 3.41Å; I118-R120 PolarHBondContact O-N 2.8Å; R120-F122 HydrophobicContact CB-CD2 4.45Å; R120-F122 HydrophobicContact CB-CE2 3.89Å; R120-F122 WeakPolarHBondContact O-CD2 3.49Å; R120-F139 HydrophobicContact CB-CD1 4.28Å; R120-F139 HydrophobicContact CB-CE1 4.04Å; R120-F139 HydrophobicContact CB-CZ 4.39Å; R120-F139 HydrophobicContact CG-CD1 4.24Å; R120-F139 HydrophobicContact CG-CE1 3.61Å; R120-F139 HydrophobicContact CG-CE2 4.02Å; R120-F139 HydrophobicContact CG-CZ 3.5Å; R120-D150 IonicContact CZ-OD1 3.85Å; R120-D150 IonicContact CZ-OD2 2.78Å; R120-D150 IonicContact NH1-OD1 2.66Å; R120-D150 IonicContact NH1-OD2 2.94Å; R120-D150 PolarHBondContact NH1-OD2 2.78Å; R120-D150 IonicContact NH2-OD1 3.65Å; R120-D150 PolarHBondContact NH2-OD1 2.77Å; R120-D150 IonicContact NH2-OD2 3.22Å; R120-D150 PolarHBondContact NH2-OD2 2.94Å |
| 121 | P | 90 | Very high | 74.8 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.9 | 174.5 | 28.3 | -32.1 | 0 | 0 | 0 | 110.8 | M75 L76 S136 M137 F139 | M75-P121 HydrophobicContact CG-CB 4.28Å; M75-P121 HydrophobicContact SD-CB 3.79Å; L76-P121 CarbonylContact O-C 3.54Å; L76-P121 VanDerWaalsContact O-CA 3.28Å; L76-P121 WeakPolarHBondContact O-CA 3.46Å; P121-S136 WeakPolarHBondContact O-CA 3.49Å; P121-M137 HydrophobicContact CB-CB 4.18Å; P121-M137 HydrophobicContact CG-CB 3.94Å; P121-M137 PolarHBondContact O-N 3.11Å; P121-F139 HydrophobicContact CG-CB 3.94Å |
| 122 | F | 93.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.6 | 169.8 | -71.1 | -93.2 | 0 | 0 | 0 | 109.2 | M75 L76 L78 I80 R120 C134 T135 L152 | M75-F122 VanDerWaalsContact SD-C 3.55Å; L76-F122 HydrophobicContact CB-CB 4.24Å; L76-F122 PolarHBondContact N-O 2.8Å; L76-F122 PolarHBondContact O-N 3.19Å; L78-F122 HydrophobicContact CB-CD2 4.24Å; L78-F122 HydrophobicContact CB-CE2 4.29Å; L78-F122 HydrophobicContact CD1-CD2 4.25Å; L78-F122 HydrophobicContact CG-CD2 4.45Å; I80-F122 HydrophobicContact CB-CE2 4.37Å; I80-F122 HydrophobicContact CB-CZ 4.43Å; I80-F122 HydrophobicContact CD1-CE2 3.92Å; I80-F122 HydrophobicContact CD1-CZ 4.04Å; I80-F122 HydrophobicContact CG1-CE2 4.47Å; R120-F122 HydrophobicContact CB-CD2 4.45Å; R120-F122 HydrophobicContact CB-CE2 3.89Å; R120-F122 WeakPolarHBondContact O-CD2 3.49Å; F122-C134 HydrophobicContact CB-CB 3.96Å; F122-T135 CarbonylContact C-O 3.44Å; F122-T135 VanDerWaalsContact CA-O 3.27Å; F122-T135 WeakPolarHBondContact CA-O 3.5Å; F122-L152 HydrophobicContact CD1-CB 3.86Å; F122-L152 HydrophobicContact CE1-CB 4.1Å; F122-L152 HydrophobicContact CG-CB 4.44Å |
| 123 | K | 94.8 | Very high | 80.3 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.1 | 177 | -173.9 | 79 | -175.2 | 91.3 | 0 | 109.6 | L71 R72 C74 M75 L125 C134 T135 M137 | L71-K123 PolarHBondContact O-NZ 2.98Å; R72-K123 WeakPolarHBondContact O-CE 3.2Å; R72-K123 PolarHBondContact O-NZ 3.2Å; C74-K123 WeakPolarHBondContact O-CD 3.3Å; C74-K123 PolarHBondContact O-NZ 3.12Å; M75-K123 HydrophobicContact CE-CB 4Å; M75-K123 HydrophobicContact CE-CD 3.55Å; M75-K123 HydrophobicContact CE-CG 4.34Å; M75-K123 HydrophobicContact SD-CB 3.93Å; M75-K123 HydrophobicContact SD-CD 4.14Å; K123-L125 PolarHBondContact O-N 3.45Å; K123-C134 CarbonylContact O-C 3.49Å; K123-C134 WeakPolarHBondContact O-CA 3.33Å; K123-C134 WeakPolarHBondContact O-CB 3.48Å; K123-T135 PolarHBondContact N-O 3.15Å; K123-T135 PolarHBondContact O-N 2.81Å; K123-M137 HydrophobicContact CB-CG 3.73Å; K123-M137 HydrophobicContact CB-SD 3.65Å; K123-M137 HydrophobicContact CG-SD 4.47Å |
| 124 | P | 95.9 | Very high | 83.1 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 128.2 | 166.2 | -31.1 | 40.4 | 0 | 0 | 0 | 112.2 | V70 L71 C74 L132 | V70-P124 HydrophobicContact CG1-CG 4.22Å; L71-P124 HydrophobicContact CD2-CB 4.01Å; C74-P124 HydrophobicContact CB-CG 4.01Å; C74-P124 WeakPolarHBondContact O-CD 3.18Å; P124-L132 HydrophobicContact CB-CD1 3.84Å; P124-L132 HydrophobicContact CB-CG 4.48Å; P124-L132 HydrophobicContact CG-CD1 4.39Å; P124-L132 HydrophobicContact CG-CD2 4.29Å |
| 125 | L | 94.6 | Very high | 85.6 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -42.5 | 179.5 | -178.4 | 66.7 | 0 | 0 | 0 | 111.4 | K123 Y133 T135 P172 | K123-L125 PolarHBondContact O-N 3.45Å; L125-Y133 HydrophobicContact CB-CD1 4.24Å; L125-Y133 HydrophobicContact CD2-CD1 4.37Å; L125-Y133 HydrophobicContact CD2-CE1 4.35Å; L125-Y133 PolarHBondContact N-O 2.7Å; L125-T135 HydrophobicContact CB-CG2 4.34Å; L125-P172 HydrophobicContact CD2-CG 4.12Å |
| 126 | L | 94 | Very high | 87.9 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 36% | 0.356 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.2 | -179.7 | -60.4 | 167.4 | 0 | 0 | 0 | 109.9 | Y133 P172 L176 | L126-Y133 PolarHBondContact N-O 3.41Å; L126-Y133 VanDerWaalsContact N-O 3.13Å; L126-Y133 PolarHBondContact O-N 3.09Å; L126-P172 HydrophobicContact CD1-CB 3.71Å; L126-L176 HydrophobicContact CD1-CD1 4.4Å |
| 127 | Y | 94.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 13% | 0.129 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 105 | 174.7 | -155.6 | -45.2 | 0 | 0 | 0 | 107.4 | L58 V59 R67 V70 L132 | L58-Y127 VanDerWaalsContact O-CE2 3.25Å; L58-Y127 WeakPolarHBondContact O-CE2 3.05Å; L58-Y127 VanDerWaalsContact O-CZ 3.25Å; L58-Y127 PolarHBondContact O-OH 3.27Å; V59-Y127 VanDerWaalsContact CA-OH 3.25Å; V59-Y127 WeakPolarHBondContact CA-OH 3.38Å; R67-Y127 HydrophobicContact CB-CD1 4.39Å; R67-Y127 HydrophobicContact CB-CD2 3.92Å; R67-Y127 HydrophobicContact CB-CE2 4.15Å; R67-Y127 HydrophobicContact CB-CG 4.06Å; R67-Y127 HydrophobicContact CG-CD1 3.91Å; R67-Y127 HydrophobicContact CG-CD2 4.06Å; R67-Y127 HydrophobicContact CG-CE1 3.77Å; R67-Y127 HydrophobicContact CG-CE2 3.91Å; R67-Y127 HydrophobicContact CG-CG 4.07Å; V70-Y127 HydrophobicContact CB-CD2 4.24Å; V70-Y127 HydrophobicContact CB-CE2 4.05Å; V70-Y127 HydrophobicContact CG1-CD2 4.12Å; V70-Y127 HydrophobicContact CG1-CE2 3.97Å; V70-Y127 HydrophobicContact CG2-CE2 4.33Å; Y127-L132 HydrophobicContact CD2-CD1 3.49Å; Y127-L132 VanDerWaalsContact CD2-CD1 3.49Å; Y127-L132 HydrophobicContact CE2-CD1 4.08Å; Y127-L132 HydrophobicContact CG-CD1 3.88Å |
| 128 | T | 91.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | trans | -88.1 | 177.2 | 176 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | S130 S131 L176 | T128-S130 PolarHBondContact O-N 3.38Å; T128-S130 PolarHBondContact OG1-N 3.12Å; T128-S130 PolarHBondContact OG1-OG 3.17Å; T128-S130 VanDerWaalsContact OG1-OG 3.14Å; T128-S131 PolarHBondContact N-O 2.79Å; T128-S131 WeakPolarHBondContact OG1-CB 3.14Å; T128-S131 PolarHBondContact OG1-N 2.88Å; T128-S131 PolarHBondContact OG1-O 2.6Å; T128-L176 HydrophobicContact CG2-CD1 4.04Å | ||
| 129 | D | 87.8 | Confident | 91 | Very high | 141 Ų | 141 | 38.7 Ų | 38.7 | 75% | 0.754 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -61.4 | -16.7 | 175.3 | -69.8 | -34.6 | 0 | 0 | 0 | 114.2 | R67 | R67-D129 IonicContact CZ-OD1 3.76Å; R67-D129 IonicContact NH1-OD1 2.83Å; R67-D129 PolarHBondContact NH1-OD1 2.78Å; R67-D129 PolarHBondContact NH2-O 2.88Å; R67-D129 IonicContact NH2-OD1 3.47Å |
| 130 | S | 88.9 | Confident | 90.1 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -125.7 | -25.1 | -164.7 | 78.2 | 0 | 0 | 0 | 0 | 112.8 | T128 R155 P156 E180 | T128-S130 PolarHBondContact O-N 3.38Å; T128-S130 PolarHBondContact OG1-N 3.12Å; T128-S130 PolarHBondContact OG1-OG 3.17Å; T128-S130 VanDerWaalsContact OG1-OG 3.14Å; S130-R155 VanDerWaalsContact O-CD 3.24Å; S130-R155 WeakPolarHBondContact O-CD 3.43Å; S130-R155 PolarHBondContact O-NH1 3.15Å; S130-P156 VanDerWaalsContact O-CD 3.29Å; S130-P156 WeakPolarHBondContact O-CD 3.4Å; S130-E180 PolarHBondContact OG-OE1 3.07Å |
| 131 | S | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -142.7 | 149.9 | -164.7 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | T128 I154 R155 E180 | T128-S131 PolarHBondContact N-O 2.79Å; T128-S131 WeakPolarHBondContact OG1-CB 3.14Å; T128-S131 PolarHBondContact OG1-N 2.88Å; T128-S131 PolarHBondContact OG1-O 2.6Å; S131-I154 WeakPolarHBondContact CA-O 3.31Å; S131-R155 WeakPolarHBondContact OG-CD 3.41Å; S131-E180 PolarHBondContact OG-OE1 3.13Å | ||
| 132 | L | 96.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.2 | 164.4 | -177.8 | 62 | 0 | 0 | 0 | 109.3 | L58 V59 V70 P124 Y127 I153 I154 | L58-L132 HydrophobicContact CB-CD2 4.1Å; V59-L132 HydrophobicContact CG1-CB 3.53Å; V59-L132 HydrophobicContact CG1-CD2 4.39Å; V70-L132 HydrophobicContact CG1-CD1 4.21Å; V70-L132 HydrophobicContact CG1-CD2 3.82Å; P124-L132 HydrophobicContact CB-CD1 3.84Å; P124-L132 HydrophobicContact CB-CG 4.48Å; P124-L132 HydrophobicContact CG-CD1 4.39Å; P124-L132 HydrophobicContact CG-CD2 4.29Å; Y127-L132 HydrophobicContact CD2-CD1 3.49Å; Y127-L132 VanDerWaalsContact CD2-CD1 3.49Å; Y127-L132 HydrophobicContact CE2-CD1 4.08Å; Y127-L132 HydrophobicContact CG-CD1 3.88Å; L132-I153 WeakPolarHBondContact O-CA 3.38Å; L132-I154 HydrophobicContact CB-CB 4.37Å; L132-I154 HydrophobicContact CD2-CD1 4.44Å; L132-I154 PolarHBondContact N-O 3.44Å; L132-I154 PolarHBondContact O-N 3.29Å |
| 133 | Y | 96.9 | Very high | 85.7 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.8 | 170.7 | -171.5 | -75.9 | 0 | 0 | 0 | 109.2 | L125 L126 I153 V166 P172 L176 | L125-Y133 HydrophobicContact CB-CD1 4.24Å; L125-Y133 HydrophobicContact CD2-CD1 4.37Å; L125-Y133 HydrophobicContact CD2-CE1 4.35Å; L125-Y133 PolarHBondContact N-O 2.7Å; L126-Y133 PolarHBondContact N-O 3.41Å; L126-Y133 VanDerWaalsContact N-O 3.13Å; L126-Y133 PolarHBondContact O-N 3.09Å; Y133-I153 HydrophobicContact CD2-CD1 3.92Å; Y133-I153 HydrophobicContact CD2-CG1 3.62Å; Y133-I153 HydrophobicContact CE2-CD1 4.17Å; Y133-I153 HydrophobicContact CE2-CG1 4Å; Y133-V166 HydrophobicContact CE2-CG2 3.91Å; Y133-P172 HydrophobicContact CD1-CB 4.05Å; Y133-P172 HydrophobicContact CD1-CG 4.33Å; Y133-P172 HydrophobicContact CD2-CB 3.93Å; Y133-P172 HydrophobicContact CE1-CB 3.85Å; Y133-P172 HydrophobicContact CE1-CG 3.76Å; Y133-P172 HydrophobicContact CE2-CB 3.74Å; Y133-P172 HydrophobicContact CE2-CG 4.32Å; Y133-P172 HydrophobicContact CG-CB 4.11Å; Y133-L176 HydrophobicContact CD2-CD1 4.36Å; Y133-L176 HydrophobicContact CD2-CD2 4.45Å; Y133-L176 HydrophobicContact CD2-CG 4.13Å |
| 134 | C | 96.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.7 | 171.8 | -51.5 | 0 | 0 | 0 | 0 | 110 | F122 K123 G151 L152 | F122-C134 HydrophobicContact CB-CB 3.96Å; K123-C134 CarbonylContact O-C 3.49Å; K123-C134 WeakPolarHBondContact O-CA 3.33Å; K123-C134 WeakPolarHBondContact O-CB 3.48Å; C134-G151 CarbonylContact O-C 3.46Å; C134-G151 WeakPolarHBondContact O-CA 3.31Å; C134-L152 HydrophobicContact CB-CB 4.31Å; C134-L152 PolarHBondContact N-O 2.98Å; C134-L152 PolarHBondContact O-N 3.4Å |
| 135 | T | 93.7 | Very high | 81.7 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.184 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.7 | 170.1 | -170.5 | 0 | 0 | 0 | 0 | 109 | F122 K123 L125 M137 | F122-T135 CarbonylContact C-O 3.44Å; F122-T135 VanDerWaalsContact CA-O 3.27Å; F122-T135 WeakPolarHBondContact CA-O 3.5Å; K123-T135 PolarHBondContact N-O 3.15Å; K123-T135 PolarHBondContact O-N 2.81Å; L125-T135 HydrophobicContact CB-CG2 4.34Å; T135-M137 HydrophobicContact CG2-SD 4.16Å |
| 136 | S | 91 | Very high | 80 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 144.8 | 166.6 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | P121 S147 P148 G149 D150 | P121-S136 WeakPolarHBondContact O-CA 3.49Å; S136-S147 PolarHBondContact OG-O 3.2Å; S136-P148 VanDerWaalsContact OG-C 3.24Å; S136-P148 WeakPolarHBondContact OG-CA 3.49Å; S136-G149 PolarHBondContact OG-N 3.05Å; S136-D150 WeakPolarHBondContact CB-OD1 3.19Å; S136-D150 PolarHBondContact N-O 3.22Å; S136-D150 PolarHBondContact OG-N 3.48Å; S136-D150 PolarHBondContact OG-O 3.39Å; S136-D150 VanDerWaalsContact OG-O 3.13Å; S136-D150 PolarHBondContact OG-OD1 3.1Å |
| 137 | M | 89.2 | Confident | 78.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 154 | 174.1 | -59 | -65.9 | -75.1 | 0 | 0 | 108.7 | M75 P121 K123 T135 F139 | M75-M137 HydrophobicContact CE-CG 4.04Å; M75-M137 HydrophobicContact SD-CG 4.18Å; P121-M137 HydrophobicContact CB-CB 4.18Å; P121-M137 HydrophobicContact CG-CB 3.94Å; P121-M137 PolarHBondContact O-N 3.11Å; K123-M137 HydrophobicContact CB-CG 3.73Å; K123-M137 HydrophobicContact CB-SD 3.65Å; K123-M137 HydrophobicContact CG-SD 4.47Å; T135-M137 HydrophobicContact CG2-SD 4.16Å; M137-F139 PolarHBondContact O-N 3.39Å |
| 138 | P | 82.8 | Confident | 76.8 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 131.6 | 171.1 | -20.2 | 29 | 0 | 0 | 0 | 109.9 | P148 | P138-P148 HydrophobicContact CB-CB 4.35Å; P138-P148 HydrophobicContact CG-CB 3.71Å; P138-P148 HydrophobicContact CG-CG 4.24Å |
| 139 | F | 75.3 | Confident | 76.1 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | trans | -136.2 | 150.7 | 173.2 | 69.3 | -81.3 | 0 | 0 | 0 | 109.5 | L82 I118 R120 P121 M137 D141 G146 | L82-F139 HydrophobicContact CD1-CZ 4.29Å; L82-F139 HydrophobicContact CD2-CE1 4.42Å; L82-F139 HydrophobicContact CD2-CZ 4.3Å; L82-F139 HydrophobicContact CG-CZ 4.43Å; I118-F139 HydrophobicContact CG2-CD2 3.8Å; I118-F139 HydrophobicContact CG2-CE2 3.58Å; R120-F139 HydrophobicContact CB-CD1 4.28Å; R120-F139 HydrophobicContact CB-CE1 4.04Å; R120-F139 HydrophobicContact CB-CZ 4.39Å; R120-F139 HydrophobicContact CG-CD1 4.24Å; R120-F139 HydrophobicContact CG-CE1 3.61Å; R120-F139 HydrophobicContact CG-CE2 4.02Å; R120-F139 HydrophobicContact CG-CZ 3.5Å; P121-F139 HydrophobicContact CG-CB 3.94Å; M137-F139 PolarHBondContact O-N 3.39Å; F139-D141 HydrophobicContact CE2-CB 4.21Å; F139-G146 VanDerWaalsContact CE1-CA 3.45Å; F139-G146 PolarHBondContact O-N 2.97Å | ||
| 140 | T | 65.9 | Low | 76.2 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 72% | 0.718 | 32% | 0.322 | S | S | * | . | B | Isolated β-bridge | trans | -97 | 120.1 | 171.2 | 32 | 0 | 0 | 0 | 0 | 107.8 | L145 | T140-L145 HydrophobicContact CG2-CD1 3.67Å |
| 141 | D | 62.5 | Low | 76.4 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | trans | -95 | 163.4 | 156.4 | -178.4 | 25.8 | 0 | 0 | 0 | 108.9 | I118 F139 M143 E144 | I118-D141 HydrophobicContact CD1-CB 4.18Å; I118-D141 WeakPolarHBondContact CD1-OD1 3.03Å; I118-D141 WeakPolarHBondContact CD1-OD2 3.48Å; I118-D141 HydrophobicContact CG1-CB 4.22Å; I118-D141 VanDerWaalsContact CG1-CG 3.45Å; I118-D141 VanDerWaalsContact CG1-OD1 3.29Å; I118-D141 WeakPolarHBondContact CG1-OD1 3.23Å; I118-D141 HydrophobicContact CG2-CB 4.32Å; F139-D141 HydrophobicContact CE2-CB 4.21Å; D141-M143 PolarHBondContact O-N 3.16Å; D141-E144 PolarHBondContact N-O 3.5Å | ||
| 142 | A | 58.1 | Low | 76.4 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 84% | 0.843 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -53.7 | -23.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 143 | M | 55.3 | Low | 76.4 | Confident | 170 Ų | 170 | 52.4 Ų | 52.4 | 84% | 0.837 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -115.1 | -29.8 | -175.5 | -60.4 | -163.1 | 74.4 | 0 | 0 | 115 | D141 | D141-M143 PolarHBondContact O-N 3.16Š|
| 144 | E | 53.6 | Low | 76.4 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | trans | -146.4 | 150.1 | -173.1 | -66.4 | -172.4 | 168.9 | 0 | 0 | 112.8 | D141 G146 | D141-E144 PolarHBondContact N-O 3.5Å; E144-G146 PolarHBondContact O-N 3.39Å | ||
| 145 | L | 53.3 | Low | 76.3 | Confident | 133 Ų | 133 | 54.1 Ų | 54.1 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | B | Isolated β-bridge | trans | -77.8 | 112.5 | 164.3 | -143.6 | 88.7 | 0 | 0 | 0 | 107.2 | T140 S147 | T140-L145 HydrophobicContact CG2-CD1 3.67Å; L145-S147 PolarHBondContact O-N 3.03Å |
| 146 | G | 59.5 | Low | 76.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | trans | -63.9 | 137.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | F139 E144 P148 | F139-G146 VanDerWaalsContact CE1-CA 3.45Å; F139-G146 PolarHBondContact O-N 2.97Å; E144-G146 PolarHBondContact O-N 3.39Å; G146-P148 WeakPolarHBondContact O-CD 3.37Å | ||
| 147 | S | 58.1 | Low | 76 | Confident | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | trans | -63 | 120.5 | 179 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | S136 L145 G149 | S136-S147 PolarHBondContact OG-O 3.2Å; L145-S147 PolarHBondContact O-N 3.03Å; S147-G149 PolarHBondContact O-N 3.42Å; S147-G149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | P | 62.6 | Low | 75.7 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 19 | -177.7 | 34.4 | -37.1 | 0 | 0 | 0 | 113.8 | S136 P138 G146 | S136-P148 VanDerWaalsContact OG-C 3.24Å; S136-P148 WeakPolarHBondContact OG-CA 3.49Å; P138-P148 HydrophobicContact CB-CB 4.35Å; P138-P148 HydrophobicContact CG-CB 3.71Å; P138-P148 HydrophobicContact CG-CG 4.24Å; G146-P148 WeakPolarHBondContact O-CD 3.37Å |
| 149 | G | 76.3 | Confident | 75.6 | Confident | 33 Ų | 33 | 59 Ų | 59 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -31.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | S136 S147 G168 | S136-G149 PolarHBondContact OG-N 3.05Å; S147-G149 PolarHBondContact O-N 3.42Å; S147-G149 VanDerWaalsContact O-N 3.16Å; G149-G168 WeakPolarHBondContact O-CA 3.43Å |
| 150 | D | 89.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.059 | 33% | 0.331 | C | S | . | . | trans | -73.1 | 162.1 | -175.7 | 64 | 0.9 | 0 | 0 | 0 | 112 | R120 S136 H165 V166 | R120-D150 IonicContact CZ-OD1 3.85Å; R120-D150 IonicContact CZ-OD2 2.78Å; R120-D150 IonicContact NH1-OD1 2.66Å; R120-D150 IonicContact NH1-OD2 2.94Å; R120-D150 PolarHBondContact NH1-OD2 2.78Å; R120-D150 IonicContact NH2-OD1 3.65Å; R120-D150 PolarHBondContact NH2-OD1 2.77Å; R120-D150 IonicContact NH2-OD2 3.22Å; R120-D150 PolarHBondContact NH2-OD2 2.94Å; S136-D150 WeakPolarHBondContact CB-OD1 3.19Å; S136-D150 PolarHBondContact N-O 3.22Å; S136-D150 PolarHBondContact OG-N 3.48Å; S136-D150 PolarHBondContact OG-O 3.39Å; S136-D150 VanDerWaalsContact OG-O 3.13Å; S136-D150 PolarHBondContact OG-OD1 3.1Å; D150-H165 IonicContact OD2-CE1 2.69Å; D150-H165 PolarHBondContact OD2-CE1 3.47Å; D150-H165 IonicContact OD2-NE2 3.47Å; D150-H165 PolarHBondContact OD2-NE2 2.69Å; D150-V166 WeakPolarHBondContact CA-O 3.32Å; D150-V166 WeakPolarHBondContact CB-O 3.26Å | ||
| 151 | G | 93.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 165 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C134 H165 V166 | C134-G151 CarbonylContact O-C 3.46Å; C134-G151 WeakPolarHBondContact O-CA 3.31Å; G151-H165 CarbonylContact O-C 3.45Å; G151-H165 WeakPolarHBondContact O-CA 3.42Å; G151-H165 PolarHBondContact O-CD2 2.88Å; G151-V166 PolarHBondContact N-O 3.21Å; G151-V166 WeakPolarHBondContact O-CG2 3.34Å; G151-V166 PolarHBondContact O-N 2.94Å |
| 152 | L | 95.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.9 | 175.3 | -173.5 | 76.1 | 0 | 0 | 0 | 108.9 | L76 L78 I80 F122 C134 I154 I163 L164 H165 | L76-L152 HydrophobicContact CD1-CD2 4.47Å; L78-L152 HydrophobicContact CD1-CD2 3.39Å; I80-L152 HydrophobicContact CD1-CD1 3.69Å; I80-L152 HydrophobicContact CD1-CD2 4.44Å; F122-L152 HydrophobicContact CD1-CB 3.86Å; F122-L152 HydrophobicContact CE1-CB 4.1Å; F122-L152 HydrophobicContact CG-CB 4.44Å; C134-L152 HydrophobicContact CB-CB 4.31Å; C134-L152 PolarHBondContact N-O 2.98Å; C134-L152 PolarHBondContact O-N 3.4Å; L152-I154 HydrophobicContact CD2-CD1 4.24Å; L152-I154 HydrophobicContact CD2-CG1 4.22Å; L152-I154 HydrophobicContact CG-CG1 4.4Å; L152-I163 HydrophobicContact CD1-CG2 3.56Å; L152-I163 HydrophobicContact CG-CG2 4.21Å; L152-L164 CarbonylContact C-O 3.57Å; L152-L164 WeakPolarHBondContact CA-O 3.13Å; L152-H165 HydrophobicContact CD1-CB 4.4Å |
| 153 | I | 96.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.2 | 173.4 | -49.3 | -176.7 | 0 | 0 | 0 | 108.5 | L132 Y133 I163 L164 V166 L176 L179 | L132-I153 WeakPolarHBondContact O-CA 3.38Å; Y133-I153 HydrophobicContact CD2-CD1 3.92Å; Y133-I153 HydrophobicContact CD2-CG1 3.62Å; Y133-I153 HydrophobicContact CE2-CD1 4.17Å; Y133-I153 HydrophobicContact CE2-CG1 4Å; I153-I163 CarbonylContact O-C 3.6Å; I153-I163 VanDerWaalsContact O-CA 3.31Å; I153-I163 WeakPolarHBondContact O-CA 3.2Å; I153-L164 HydrophobicContact CB-CB 4.23Å; I153-L164 HydrophobicContact CD1-CD2 4.29Å; I153-L164 PolarHBondContact N-O 3.1Å; I153-L164 PolarHBondContact O-N 3.3Å; I153-V166 HydrophobicContact CD1-CG1 4.18Å; I153-V166 HydrophobicContact CG1-CG1 4.4Å; I153-L176 HydrophobicContact CD1-CD2 4.01Å; I153-L176 HydrophobicContact CD1-CG 4.2Å; I153-L176 HydrophobicContact CG1-CD2 4.48Å; I153-L176 HydrophobicContact CG2-CD2 3.85Å; I153-L179 HydrophobicContact CB-CD2 4.14Å; I153-L179 HydrophobicContact CD1-CD2 4.42Å; I153-L179 HydrophobicContact CG2-CD2 3.51Å |
| 154 | I | 96.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.4 | 174.1 | -58.5 | 167 | 0 | 0 | 0 | 107.1 | F55 V59 L76 S131 L132 L152 L161 | F55-I154 HydrophobicContact CB-CD1 4.36Å; F55-I154 HydrophobicContact CB-CG2 3.85Å; F55-I154 HydrophobicContact CD1-CD1 3.53Å; F55-I154 HydrophobicContact CD1-CG1 4.34Å; F55-I154 HydrophobicContact CE1-CD1 4.1Å; F55-I154 HydrophobicContact CG-CD1 4.12Å; V59-I154 HydrophobicContact CB-CG2 4.48Å; V59-I154 HydrophobicContact CG1-CB 4.17Å; V59-I154 HydrophobicContact CG1-CG2 3.76Å; V59-I154 HydrophobicContact CG2-CG2 3.88Å; L76-I154 HydrophobicContact CD1-CD1 3.7Å; S131-I154 WeakPolarHBondContact CA-O 3.31Å; L132-I154 HydrophobicContact CB-CB 4.37Å; L132-I154 HydrophobicContact CD2-CD1 4.44Å; L132-I154 PolarHBondContact N-O 3.44Å; L132-I154 PolarHBondContact O-N 3.29Å; L152-I154 HydrophobicContact CD2-CD1 4.24Å; L152-I154 HydrophobicContact CD2-CG1 4.22Å; L152-I154 HydrophobicContact CG-CG1 4.4Å; I154-L161 HydrophobicContact CG2-CD1 3.8Å; I154-L161 HydrophobicContact CG2-CD2 4.39Å; I154-L161 HydrophobicContact CG2-CG 4.45Å |
| 155 | R | 94.1 | Very high | 84.3 | Confident | 42 Ų | 42 | 31.2 Ų | 31.2 | 16% | 0.158 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 116.6 | -171.1 | 176.8 | 92.7 | -179.6 | 72.7 | 7.5 | 110.5 | S130 S131 S157 F162 L179 E180 L183 | S130-R155 VanDerWaalsContact O-CD 3.24Å; S130-R155 WeakPolarHBondContact O-CD 3.43Å; S130-R155 PolarHBondContact O-NH1 3.15Å; S131-R155 WeakPolarHBondContact OG-CD 3.41Å; R155-S157 PolarHBondContact O-N 2.76Å; R155-F162 HydrophobicContact CB-CB 4.42Å; R155-F162 PolarHBondContact N-O 3.43Å; R155-F162 PolarHBondContact O-N 3.29Å; R155-L179 HydrophobicContact CB-CD2 4Å; R155-L179 HydrophobicContact CG-CD2 4.31Å; R155-E180 WeakPolarHBondContact CD-OE1 3.5Å; R155-E180 IonicContact CZ-OE1 3.55Å; R155-E180 IonicContact CZ-OE2 2.95Å; R155-E180 VanDerWaalsContact NE-CD 3.32Å; R155-E180 IonicContact NE-OE1 3.51Å; R155-E180 PolarHBondContact NE-OE1 3.17Å; R155-E180 IonicContact NE-OE2 2.77Å; R155-E180 PolarHBondContact NE-OE2 2.95Å; R155-E180 VanDerWaalsContact NE-OE2 3.15Å; R155-E180 IonicContact NH2-OE1 2.74Å; R155-E180 IonicContact NH2-OE2 3.15Å; R155-E180 PolarHBondContact NH2-OE2 3.48Å; R155-L183 HydrophobicContact CG-CD1 3.61Å |
| 156 | P | 91.7 | Very high | 86.2 | Confident | 33 Ų | 33 | 24.9 Ų | 24.9 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.5 | 164.7 | -21.5 | 34.2 | 0 | 0 | 0 | 110.3 | M56 V59 S130 G160 | M56-P156 HydrophobicContact CE-CB 4.48Å; M56-P156 HydrophobicContact SD-CB 4.27Å; M56-P156 HydrophobicContact SD-CG 4.18Å; V59-P156 HydrophobicContact CB-CG 3.67Å; V59-P156 HydrophobicContact CG2-CG 3.44Å; V59-P156 VanDerWaalsContact CG2-CG 3.44Å; S130-P156 VanDerWaalsContact O-CD 3.29Å; S130-P156 WeakPolarHBondContact O-CD 3.4Å; P156-G160 WeakPolarHBondContact CA-O 3.13Å |
| 157 | S | 86.9 | Confident | 87.7 | Confident | 16 Ų | 16 | 25.4 Ų | 25.4 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 166.6 | 172.3 | 69.6 | 0 | 0 | 0 | 0 | 109.5 | Q27 R155 L159 G160 L188 | Q27-S157 PolarHBondContact NE2-OG 2.79Å; Q27-S157 PolarHBondContact OE1-OG 3.43Å; Q27-S157 VanDerWaalsContact OE1-OG 3.04Å; R155-S157 PolarHBondContact O-N 2.76Å; S157-L159 PolarHBondContact O-N 2.75Å; S157-L159 VanDerWaalsContact O-N 3.09Å; S157-G160 PolarHBondContact N-O 2.76Å; S157-G160 PolarHBondContact O-N 3.46Å; S157-G160 PolarHBondContact OG-N 2.76Å; S157-L188 WeakPolarHBondContact CA-OXT 3.37Å; S157-L188 WeakPolarHBondContact CB-OXT 3.36Å |
| 158 | K | 83.3 | Confident | 89.1 | Confident | 159 Ų | 159 | 23.7 Ų | 23.7 | 69% | 0.691 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.2 | 175.4 | -66.6 | -177.5 | -159.7 | 161.1 | 0 | 113.1 | G187 L188 | K158-G187 VanDerWaalsContact CD-O 3.3Å; K158-G187 WeakPolarHBondContact CD-O 3.33Å; K158-G187 WeakPolarHBondContact CE-O 3.48Å; K158-G187 PolarHBondContact NZ-O 3.25Å; K158-L188 WeakPolarHBondContact CG-OXT 3.36Å; K158-L188 PolarHBondContact N-OXT 2.66Å |
| 159 | L | 81.3 | Confident | 90.3 | Very high | 79 Ų | 79 | 26.7 Ų | 26.7 | 41% | 0.414 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -12.2 | 177.8 | -66.5 | -172.6 | 0 | 0 | 0 | 113.2 | L29 S157 L188 | L29-L159 WeakPolarHBondContact CA-O 3.49Å; L29-L159 HydrophobicContact CD2-CB 3.67Å; L29-L159 HydrophobicContact CD2-CD1 4.42Å; L29-L159 VanDerWaalsContact CD2-O 3.26Å; L29-L159 WeakPolarHBondContact CD2-O 2.91Å; S157-L159 PolarHBondContact O-N 2.75Å; S157-L159 VanDerWaalsContact O-N 3.09Å; L159-L188 HydrophobicContact CB-CD2 4.46Å; L159-L188 HydrophobicContact CD1-CD2 3.28Å; L159-L188 HydrophobicContact CG-CD2 3.55Å |
| 160 | G | 87.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.4 | -111.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I28 M56 P156 S157 | I28-G160 WeakPolarHBondContact O-CA 3.19Å; M56-G160 VanDerWaalsContact CE-O 3.28Å; M56-G160 WeakPolarHBondContact CE-O 3.37Å; P156-G160 WeakPolarHBondContact CA-O 3.13Å; S157-G160 PolarHBondContact N-O 2.76Å; S157-G160 PolarHBondContact O-N 3.46Å; S157-G160 PolarHBondContact OG-N 2.76Å |
| 161 | L | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.7 | -177 | -169.5 | 75.5 | 0 | 0 | 0 | 111 | Q27 I28 Y52 F55 M56 V59 I154 I163 | Q27-L161 PolarHBondContact NE2-O 2.68Å; Q27-L161 VanDerWaalsContact NE2-O 3.14Å; I28-L161 HydrophobicContact CB-CB 4.4Å; I28-L161 HydrophobicContact CD1-CD2 4.46Å; I28-L161 PolarHBondContact N-O 3.07Å; I28-L161 PolarHBondContact O-N 2.89Å; Y52-L161 HydrophobicContact CD2-CB 4.01Å; Y52-L161 HydrophobicContact CE2-CB 4.33Å; F55-L161 HydrophobicContact CB-CD2 3.46Å; F55-L161 VanDerWaalsContact CB-CD2 3.46Å; F55-L161 HydrophobicContact CD2-CD2 4.13Å; F55-L161 HydrophobicContact CG-CD2 4.27Å; M56-L161 HydrophobicContact CE-CB 3.84Å; M56-L161 HydrophobicContact CE-CD1 3.84Å; M56-L161 HydrophobicContact CE-CG 4.44Å; M56-L161 HydrophobicContact SD-CD1 4.19Å; V59-L161 HydrophobicContact CG2-CD1 3.91Å; I154-L161 HydrophobicContact CG2-CD1 3.8Å; I154-L161 HydrophobicContact CG2-CD2 4.39Å; I154-L161 HydrophobicContact CG2-CG 4.45Å; L161-I163 HydrophobicContact CD2-CD1 3.95Å; L161-I163 HydrophobicContact CD2-CG1 3.92Å; L161-I163 HydrophobicContact CG-CG1 4.19Å |
| 162 | F | 92.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.5 | 169 | -161 | -86.1 | 0 | 0 | 0 | 110 | F11 L15 A25 A26 Q27 R155 L164 L179 L183 | F11-F162 HydrophobicContact CD1-CZ 4.34Å; F11-F162 AromaticContact CE1-CE2 3.68Å; F11-F162 HydrophobicContact CE1-CE2 3.68Å; F11-F162 AromaticContact CE1-CZ 3.55Å; F11-F162 HydrophobicContact CE1-CZ 3.55Å; F11-F162 AromaticContact CZ-CE2 3.69Å; F11-F162 HydrophobicContact CZ-CE2 3.69Å; F11-F162 HydrophobicContact CZ-CZ 4.07Å; L15-F162 HydrophobicContact CD2-CE1 4.03Å; L15-F162 HydrophobicContact CD2-CZ 3.96Å; A25-F162 HydrophobicContact CB-CE1 4.16Å; A25-F162 HydrophobicContact CB-CZ 3.84Å; A26-F162 WeakPolarHBondContact O-CA 3.36Å; Q27-F162 HydrophobicContact CB-CD2 4.13Å; Q27-F162 HydrophobicContact CB-CE2 4.46Å; R155-F162 HydrophobicContact CB-CB 4.42Å; R155-F162 PolarHBondContact N-O 3.43Å; R155-F162 PolarHBondContact O-N 3.29Å; F162-L164 HydrophobicContact CD1-CB 4.42Å; F162-L164 HydrophobicContact CE1-CB 4.07Å; F162-L164 HydrophobicContact CE1-CD1 4.26Å; F162-L179 HydrophobicContact CD1-CD1 3.52Å; F162-L179 HydrophobicContact CD1-CD2 4.46Å; F162-L179 HydrophobicContact CE1-CD1 3.47Å; F162-L179 VanDerWaalsContact CE1-CD1 3.47Å; F162-L179 HydrophobicContact CG-CD1 4.39Å; F162-L179 HydrophobicContact CZ-CD1 4.33Å; F162-L183 HydrophobicContact CD2-CD2 4.25Å; F162-L183 HydrophobicContact CG-CD2 4.37Å |
| 163 | I | 93.9 | Very high | 91 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.3 | 177.6 | -53.8 | 172.2 | 0 | 0 | 0 | 107.8 | A25 A26 I28 L41 I44 A51 F55 L152 I153 L161 | A25-I163 CarbonylContact C-O 3.54Å; A25-I163 VanDerWaalsContact CA-O 3.3Å; A25-I163 WeakPolarHBondContact CA-O 2.94Å; A26-I163 PolarHBondContact N-O 3.16Å; A26-I163 PolarHBondContact O-N 3.15Å; I28-I163 HydrophobicContact CD1-CD1 3.65Å; L41-I163 HydrophobicContact CD1-CB 4.22Å; L41-I163 HydrophobicContact CD1-CG2 3.79Å; I44-I163 HydrophobicContact CD1-CD1 3.74Å; A51-I163 HydrophobicContact CB-CD1 4.5Å; F55-I163 HydrophobicContact CD2-CD1 3.4Å; F55-I163 HydrophobicContact CD2-CG1 4.39Å; F55-I163 HydrophobicContact CE2-CD1 3.58Å; F55-I163 HydrophobicContact CG-CD1 4.4Å; L152-I163 HydrophobicContact CD1-CG2 3.56Å; L152-I163 HydrophobicContact CG-CG2 4.21Å; I153-I163 CarbonylContact O-C 3.6Å; I153-I163 VanDerWaalsContact O-CA 3.31Å; I153-I163 WeakPolarHBondContact O-CA 3.2Å; L161-I163 HydrophobicContact CD2-CD1 3.95Å; L161-I163 HydrophobicContact CD2-CG1 3.92Å; L161-I163 HydrophobicContact CG-CG1 4.19Å |
| 164 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 118.5 | 178.3 | -172.9 | 70.2 | 0 | 0 | 0 | 110.1 | L15 G24 A25 L152 I153 F162 V166 L179 | L15-L164 HydrophobicContact CD1-CD2 3.71Å; L15-L164 HydrophobicContact CD2-CD1 3.82Å; L15-L164 HydrophobicContact CD2-CD2 4.2Å; L15-L164 HydrophobicContact CG-CD1 3.94Å; L15-L164 HydrophobicContact CG-CD2 4.05Å; G24-L164 WeakPolarHBondContact O-CD1 3.36Å; A25-L164 HydrophobicContact CB-CD1 3.75Å; L152-L164 CarbonylContact C-O 3.57Å; L152-L164 WeakPolarHBondContact CA-O 3.13Å; I153-L164 HydrophobicContact CB-CB 4.23Å; I153-L164 HydrophobicContact CD1-CD2 4.29Å; I153-L164 PolarHBondContact N-O 3.1Å; I153-L164 PolarHBondContact O-N 3.3Å; F162-L164 HydrophobicContact CD1-CB 4.42Å; F162-L164 HydrophobicContact CE1-CB 4.07Å; F162-L164 HydrophobicContact CE1-CD1 4.26Å; L164-V166 HydrophobicContact CB-CG1 4.44Å; L164-V166 HydrophobicContact CD2-CG1 3.47Å; L164-V166 VanDerWaalsContact CD2-CG1 3.47Å; L164-V166 HydrophobicContact CG-CG1 3.59Å; L164-L179 HydrophobicContact CD2-CB 4.34Å; L164-L179 HydrophobicContact CD2-CD1 4.46Å |
| 165 | H | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 125 | 166.2 | -179.3 | -135.8 | 0 | 0 | 0 | 108.9 | G22 L23 G24 T40 L41 I80 D150 G151 L152 | G22-H165 CarbonylContact C-O 3.45Å; G22-H165 VanDerWaalsContact CA-O 3.32Å; G22-H165 WeakPolarHBondContact CA-O 3.29Å; L23-H165 PolarHBondContact N-O 2.76Å; G24-H165 PolarHBondContact N-O 2.88Å; G24-H165 PolarHBondContact O-N 3.41Å; T40-H165 PolarHBondContact OG1-ND1 3.41Å; L41-H165 HydrophobicContact CD1-CB 4.18Å; L41-H165 HydrophobicContact CD2-CB 4.41Å; L41-H165 HydrophobicContact CG-CB 4.13Å; I80-H165 HydrophobicContact CG2-CB 4.48Å; D150-H165 IonicContact OD2-CE1 2.69Å; D150-H165 PolarHBondContact OD2-CE1 3.47Å; D150-H165 IonicContact OD2-NE2 3.47Å; D150-H165 PolarHBondContact OD2-NE2 2.69Å; G151-H165 CarbonylContact O-C 3.45Å; G151-H165 WeakPolarHBondContact O-CA 3.42Å; G151-H165 PolarHBondContact O-CD2 2.88Å; L152-H165 HydrophobicContact CD1-CB 4.4Å |
| 166 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.4 | -172.4 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | P21 Y133 D150 G151 I153 L164 | P21-V166 HydrophobicContact CB-CB 4.33Å; P21-V166 HydrophobicContact CB-CG1 4.29Å; P21-V166 CarbonylContact O-C 3.38Å; P21-V166 VanDerWaalsContact O-CA 3.26Å; P21-V166 WeakPolarHBondContact O-CA 2.92Å; Y133-V166 HydrophobicContact CE2-CG2 3.91Å; D150-V166 WeakPolarHBondContact CA-O 3.32Å; D150-V166 WeakPolarHBondContact CB-O 3.26Å; G151-V166 PolarHBondContact N-O 3.21Å; G151-V166 WeakPolarHBondContact O-CG2 3.34Å; G151-V166 PolarHBondContact O-N 2.94Å; I153-V166 HydrophobicContact CD1-CG1 4.18Å; I153-V166 HydrophobicContact CG1-CG1 4.4Å; L164-V166 HydrophobicContact CB-CG1 4.44Å; L164-V166 HydrophobicContact CD2-CG1 3.47Å; L164-V166 VanDerWaalsContact CD2-CG1 3.47Å; L164-V166 HydrophobicContact CG-CG1 3.59Å |
| 167 | S | 90.2 | Very high | 90.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | trans | -67.2 | 139.4 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | P21 N169 Y170 | P21-S167 PolarHBondContact O-N 2.92Å; S167-N169 PolarHBondContact O-N 3Å; S167-N169 VanDerWaalsContact O-N 3.1Å; S167-N169 PolarHBondContact OG-N 2.63Å; S167-Y170 PolarHBondContact O-N 3.05Å | ||
| 168 | G | 87.7 | Confident | 91 | Very high | 38 Ų | 38 | 43 Ų | 43 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -4.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G149 Y170 | G149-G168 WeakPolarHBondContact O-CA 3.43Å; G168-Y170 PolarHBondContact O-N 2.83Å |
| 169 | N | 88.6 | Confident | 91.4 | Very high | 131 Ų | 131 | 35.4 Ų | 35.4 | 70% | 0.701 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.5 | 173.1 | -63.6 | -20.2 | 0 | 0 | 0 | 112.7 | S167 | S167-N169 PolarHBondContact O-N 3Å; S167-N169 VanDerWaalsContact O-N 3.1Å; S167-N169 PolarHBondContact OG-N 2.63Å |
| 170 | Y | 89.9 | Confident | 91.8 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -116 | 132.8 | -178.1 | -62.7 | -89.5 | 0 | 0 | 0 | 110.9 | Y17 P21 S167 G168 Y174 | Y17-Y170 HydrophobicContact CD2-CE2 4.41Å; P21-Y170 HydrophobicContact CB-CD1 4.35Å; P21-Y170 HydrophobicContact CB-CD2 3.84Å; P21-Y170 HydrophobicContact CB-CE2 4.42Å; P21-Y170 HydrophobicContact CB-CG 3.79Å; S167-Y170 PolarHBondContact O-N 3.05Å; G168-Y170 PolarHBondContact O-N 2.83Å; Y170-Y174 AromaticContact CD1-CD1 3.5Å; Y170-Y174 HydrophobicContact CD1-CD1 3.5Å; Y170-Y174 AromaticContact CD1-CE1 3.37Å; Y170-Y174 HydrophobicContact CD1-CE1 3.37Å; Y170-Y174 HydrophobicContact CD1-CG 4.46Å; Y170-Y174 HydrophobicContact CE1-CD1 4.35Å; Y170-Y174 AromaticContact CE1-CE1 3.77Å; Y170-Y174 HydrophobicContact CE1-CE1 3.77Å; Y170-Y174 HydrophobicContact CG-CD1 4.12Å; Y170-Y174 HydrophobicContact CG-CE1 4.27Å |
| 171 | P | 91.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | trans | -65.6 | 149.8 | 178.5 | 26.7 | -32.4 | 0 | 0 | 0 | 110.9 | T173 Y174 S175 | P171-T173 VanDerWaalsContact C-N 3.25Å; P171-T173 PolarHBondContact O-N 3.05Å; P171-T173 VanDerWaalsContact O-N 3.14Å; P171-Y174 WeakPolarHBondContact O-CB 3.3Å; P171-Y174 PolarHBondContact O-N 2.99Å; P171-S175 PolarHBondContact O-N 2.86Å; P171-S175 VanDerWaalsContact O-N 3.13Å; P171-S175 PolarHBondContact O-OG 3.31Å | ||
| 172 | P | 93.7 | Very high | 91.4 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.5 | -40.6 | -177.1 | -29.7 | 35 | 0 | 0 | 0 | 114.2 | L125 L126 Y133 Y174 S175 L176 | L125-P172 HydrophobicContact CD2-CG 4.12Å; L126-P172 HydrophobicContact CD1-CB 3.71Å; Y133-P172 HydrophobicContact CD1-CB 4.05Å; Y133-P172 HydrophobicContact CD1-CG 4.33Å; Y133-P172 HydrophobicContact CD2-CB 3.93Å; Y133-P172 HydrophobicContact CE1-CB 3.85Å; Y133-P172 HydrophobicContact CE1-CG 3.76Å; Y133-P172 HydrophobicContact CE2-CB 3.74Å; Y133-P172 HydrophobicContact CE2-CG 4.32Å; Y133-P172 HydrophobicContact CG-CB 4.11Å; P172-Y174 PolarHBondContact O-N 3.29Å; P172-S175 PolarHBondContact O-N 3.35Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 VanDerWaalsContact O-CG 3.32Å; P172-L176 WeakPolarHBondContact O-CG 3.42Å; P172-L176 PolarHBondContact O-N 3.44Å |
| 173 | T | 93.2 | Very high | 91.1 | Very high | 89 Ų | 89 | 41.4 Ų | 41.4 | 55% | 0.546 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 179.5 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | P171 N177 | P171-T173 VanDerWaalsContact C-N 3.25Å; P171-T173 PolarHBondContact O-N 3.05Å; P171-T173 VanDerWaalsContact O-N 3.14Å; T173-N177 WeakPolarHBondContact O-CB 3.31Å; T173-N177 PolarHBondContact O-N 3.3Å; T173-N177 PolarHBondContact O-ND2 3.35Å |
| 174 | Y | 93.5 | Very high | 90.6 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -46 | 174.6 | 178.2 | -90.1 | 0 | 0 | 0 | 110.6 | P21 Y170 P171 P172 L176 N177 S178 | P21-Y174 HydrophobicContact CB-CE1 4.5Å; P21-Y174 HydrophobicContact CG-CE1 4.35Å; Y170-Y174 AromaticContact CD1-CD1 3.5Å; Y170-Y174 HydrophobicContact CD1-CD1 3.5Å; Y170-Y174 AromaticContact CD1-CE1 3.37Å; Y170-Y174 HydrophobicContact CD1-CE1 3.37Å; Y170-Y174 HydrophobicContact CD1-CG 4.46Å; Y170-Y174 HydrophobicContact CE1-CD1 4.35Å; Y170-Y174 AromaticContact CE1-CE1 3.77Å; Y170-Y174 HydrophobicContact CE1-CE1 3.77Å; Y170-Y174 HydrophobicContact CG-CD1 4.12Å; Y170-Y174 HydrophobicContact CG-CE1 4.27Å; P171-Y174 WeakPolarHBondContact O-CB 3.3Å; P171-Y174 PolarHBondContact O-N 2.99Å; P172-Y174 PolarHBondContact O-N 3.29Å; Y174-L176 PolarHBondContact O-N 3.49Å; Y174-N177 PolarHBondContact O-N 3.45Å; Y174-S178 WeakPolarHBondContact O-CB 3.03Å; Y174-S178 PolarHBondContact O-N 3.42Å; Y174-S178 PolarHBondContact O-OG 3.33Å; Y174-S178 VanDerWaalsContact O-OG 3.12Å |
| 175 | S | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | P21 P171 P172 L179 | P21-S175 WeakPolarHBondContact CB-OG 3.43Å; P171-S175 PolarHBondContact O-N 2.86Å; P171-S175 VanDerWaalsContact O-N 3.13Å; P171-S175 PolarHBondContact O-OG 3.31Å; P172-S175 PolarHBondContact O-N 3.35Å; S175-L179 PolarHBondContact O-N 3.44Å; S175-L179 VanDerWaalsContact O-N 3.11Å |
| 176 | L | 94.9 | Very high | 88.4 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.3 | -72.6 | 161.8 | 0 | 0 | 0 | 111.5 | L126 T128 Y133 I153 P172 Y174 S178 L179 E180 | L126-L176 HydrophobicContact CD1-CD1 4.4Å; T128-L176 HydrophobicContact CG2-CD1 4.04Å; Y133-L176 HydrophobicContact CD2-CD1 4.36Å; Y133-L176 HydrophobicContact CD2-CD2 4.45Å; Y133-L176 HydrophobicContact CD2-CG 4.13Å; I153-L176 HydrophobicContact CD1-CD2 4.01Å; I153-L176 HydrophobicContact CD1-CG 4.2Å; I153-L176 HydrophobicContact CG1-CD2 4.48Å; I153-L176 HydrophobicContact CG2-CD2 3.85Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 VanDerWaalsContact O-CG 3.32Å; P172-L176 WeakPolarHBondContact O-CG 3.42Å; P172-L176 PolarHBondContact O-N 3.44Å; Y174-L176 PolarHBondContact O-N 3.49Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 3.24Å; L176-L179 PolarHBondContact O-N 3.04Å; L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 3.39Å |
| 177 | N | 92 | Very high | 87.1 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 179 | -73.6 | -19.3 | 0 | 0 | 0 | 112.7 | T173 Y174 L179 E180 R181 | T173-N177 WeakPolarHBondContact O-CB 3.31Å; T173-N177 PolarHBondContact O-N 3.3Å; T173-N177 PolarHBondContact O-ND2 3.35Å; Y174-N177 PolarHBondContact O-N 3.45Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-E180 PolarHBondContact O-N 3.1Å; N177-R181 WeakPolarHBondContact O-CB 3.44Å; N177-R181 WeakPolarHBondContact O-CG 3.43Å; N177-R181 PolarHBondContact O-N 3.3Å |
| 178 | S | 91 | Very high | 85.7 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 175.8 | -66 | 0 | 0 | 0 | 0 | 111.8 | Y174 L176 C182 | Y174-S178 WeakPolarHBondContact O-CB 3.03Å; Y174-S178 PolarHBondContact O-N 3.42Å; Y174-S178 PolarHBondContact O-OG 3.33Å; Y174-S178 VanDerWaalsContact O-OG 3.12Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 3.24Å; S178-C182 PolarHBondContact O-N 3.05Å |
| 179 | L | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 173.9 | 178.1 | 61.3 | 0 | 0 | 0 | 111.9 | L15 I153 R155 F162 L164 S175 L176 N177 R181 C182 L183 | L15-L179 HydrophobicContact CD1-CB 4.39Å; L15-L179 HydrophobicContact CD2-CD1 4.07Å; I153-L179 HydrophobicContact CB-CD2 4.14Å; I153-L179 HydrophobicContact CD1-CD2 4.42Å; I153-L179 HydrophobicContact CG2-CD2 3.51Å; R155-L179 HydrophobicContact CB-CD2 4Å; R155-L179 HydrophobicContact CG-CD2 4.31Å; F162-L179 HydrophobicContact CD1-CD1 3.52Å; F162-L179 HydrophobicContact CD1-CD2 4.46Å; F162-L179 HydrophobicContact CE1-CD1 3.47Å; F162-L179 VanDerWaalsContact CE1-CD1 3.47Å; F162-L179 HydrophobicContact CG-CD1 4.39Å; F162-L179 HydrophobicContact CZ-CD1 4.33Å; L164-L179 HydrophobicContact CD2-CB 4.34Å; L164-L179 HydrophobicContact CD2-CD1 4.46Å; S175-L179 PolarHBondContact O-N 3.44Å; S175-L179 VanDerWaalsContact O-N 3.11Å; L176-L179 PolarHBondContact O-N 3.04Å; N177-L179 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 3.26Å; L179-C182 WeakPolarHBondContact O-CA 3.35Å; L179-C182 WeakPolarHBondContact O-CB 3.23Å; L179-C182 PolarHBondContact O-N 3.31Å; L179-C182 VanDerWaalsContact O-N 3.09Å; L179-L183 HydrophobicContact CD1-CD1 4.02Å; L179-L183 HydrophobicContact CD1-CD2 4.46Å; L179-L183 HydrophobicContact CD1-CG 4.06Å; L179-L183 HydrophobicContact CG-CD1 4.05Å; L179-L183 HydrophobicContact CG-CG 4.43Å; L179-L183 WeakPolarHBondContact O-CG 3.28Å; L179-L183 PolarHBondContact O-N 3.38Å |
| 180 | E | 90.6 | Very high | 85.4 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | -179.3 | -66.4 | -62 | 169.9 | 0 | 0 | 111.5 | S130 S131 R155 L176 N177 C182 L183 E184 | S130-E180 PolarHBondContact OG-OE1 3.07Å; S131-E180 PolarHBondContact OG-OE1 3.13Å; R155-E180 WeakPolarHBondContact CD-OE1 3.5Å; R155-E180 IonicContact CZ-OE1 3.55Å; R155-E180 IonicContact CZ-OE2 2.95Å; R155-E180 VanDerWaalsContact NE-CD 3.32Å; R155-E180 IonicContact NE-OE1 3.51Å; R155-E180 PolarHBondContact NE-OE1 3.17Å; R155-E180 IonicContact NE-OE2 2.77Å; R155-E180 PolarHBondContact NE-OE2 2.95Å; R155-E180 VanDerWaalsContact NE-OE2 3.15Å; R155-E180 IonicContact NH2-OE1 2.74Å; R155-E180 IonicContact NH2-OE2 3.15Å; R155-E180 PolarHBondContact NH2-OE2 3.48Å; L176-E180 WeakPolarHBondContact O-CG 3.48Å; L176-E180 PolarHBondContact O-N 3.39Å; N177-E180 PolarHBondContact O-N 3.1Å; E180-C182 PolarHBondContact O-N 3.27Å; E180-L183 PolarHBondContact O-N 3.47Å; E180-L183 VanDerWaalsContact O-N 3.1Å; E180-E184 WeakPolarHBondContact O-CB 3.25Å; E180-E184 VanDerWaalsContact O-CG 3.31Å; E180-E184 WeakPolarHBondContact O-CG 3.34Å; E180-E184 PolarHBondContact O-N 3.27Å |
| 181 | R | 86.8 | Confident | 85.2 | Confident | 175 Ų | 175 | 54.4 Ų | 54.4 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -56.5 | -37 | 174 | -74.6 | 177.9 | -178.6 | -174.6 | 1.1 | 112.4 | N177 L179 T185 | N177-R181 WeakPolarHBondContact O-CB 3.44Å; N177-R181 WeakPolarHBondContact O-CG 3.43Å; N177-R181 PolarHBondContact O-N 3.3Å; L179-R181 PolarHBondContact O-N 3.26Å; R181-T185 WeakPolarHBondContact O-CB 3.48Å; R181-T185 PolarHBondContact O-N 3.5Å; R181-T185 PolarHBondContact O-OG1 3.31Å |
| 182 | C | 84.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -54.2 | 174.3 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | W10 F11 L15 S178 L179 E180 E184 T185 F186 | W10-C182 HydrophobicContact CE3-CB 4.35Å; W10-C182 HydrophobicContact CH2-CB 3.77Å; W10-C182 VanDerWaalsContact CZ3-CA 3.44Å; W10-C182 HydrophobicContact CZ3-CB 3.35Å; W10-C182 WeakPolarHBondContact CZ3-SG 3.02Å; F11-C182 WeakPolarHBondContact CD1-SG 3.48Å; F11-C182 WeakPolarHBondContact CE1-SG 3.46Å; L15-C182 HydrophobicContact CD2-CB 4.38Å; S178-C182 PolarHBondContact O-N 3.05Å; L179-C182 WeakPolarHBondContact O-CA 3.35Å; L179-C182 WeakPolarHBondContact O-CB 3.23Å; L179-C182 PolarHBondContact O-N 3.31Å; L179-C182 VanDerWaalsContact O-N 3.09Å; E180-C182 PolarHBondContact O-N 3.27Å; C182-E184 PolarHBondContact O-N 3.47Å; C182-T185 PolarHBondContact O-N 3.33Å; C182-F186 WeakPolarHBondContact O-CD2 3.41Å; C182-F186 PolarHBondContact O-N 3.47Å |
| 183 | L | 84.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | -174.9 | -62.2 | 176.7 | 0 | 0 | 0 | 111.7 | R155 F162 L179 E180 T185 F186 G187 L188 | R155-L183 HydrophobicContact CG-CD1 3.61Å; F162-L183 HydrophobicContact CD2-CD2 4.25Å; F162-L183 HydrophobicContact CG-CD2 4.37Å; L179-L183 HydrophobicContact CD1-CD1 4.02Å; L179-L183 HydrophobicContact CD1-CD2 4.46Å; L179-L183 HydrophobicContact CD1-CG 4.06Å; L179-L183 HydrophobicContact CG-CD1 4.05Å; L179-L183 HydrophobicContact CG-CG 4.43Å; L179-L183 WeakPolarHBondContact O-CG 3.28Å; L179-L183 PolarHBondContact O-N 3.38Å; E180-L183 PolarHBondContact O-N 3.47Å; E180-L183 VanDerWaalsContact O-N 3.1Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 2.82Å; L183-F186 CarbonylContact O-C 3.46Å; L183-F186 PolarHBondContact O-N 3.17Å; L183-G187 PolarHBondContact O-N 2.86Å; L183-L188 HydrophobicContact CB-CB 4.12Å; L183-L188 HydrophobicContact CD2-CB 3.76Å; L183-L188 HydrophobicContact CD2-CD1 3.79Å; L183-L188 HydrophobicContact CD2-CG 4.43Å; L183-L188 PolarHBondContact O-N 3.02Å |
| 184 | E | 83.1 | Confident | 83.6 | Confident | 142 Ų | 142 | 52.2 Ų | 52.2 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.8 | -44 | 174 | -74.3 | 176.4 | 175.9 | 0 | 0 | 112.3 | E180 C182 F186 G187 | E180-E184 WeakPolarHBondContact O-CB 3.25Å; E180-E184 VanDerWaalsContact O-CG 3.31Å; E180-E184 WeakPolarHBondContact O-CG 3.34Å; E180-E184 PolarHBondContact O-N 3.27Å; C182-E184 PolarHBondContact O-N 3.47Å; E184-F186 PolarHBondContact O-N 3.48Å; E184-G187 PolarHBondContact O-N 3.12Å; E184-G187 VanDerWaalsContact O-N 3.09Å |
| 185 | T | 72.7 | Confident | 82.9 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.3 | -32 | -179.5 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | W10 R181 C182 L183 | W10-T185 HydrophobicContact CZ2-CG2 4.22Å; R181-T185 WeakPolarHBondContact O-CB 3.48Å; R181-T185 PolarHBondContact O-N 3.5Å; R181-T185 PolarHBondContact O-OG1 3.31Å; C182-T185 PolarHBondContact O-N 3.33Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 2.82Å |
| 186 | F | 69.2 | Low | 82.1 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.8 | -179.1 | -63.6 | -69.6 | 0 | 0 | 0 | 113.8 | L7 W10 C182 L183 E184 L188 | L7-F186 HydrophobicContact CD2-CB 3.77Å; L7-F186 HydrophobicContact CD2-CD1 3.31Å; L7-F186 HydrophobicContact CD2-CD2 3.33Å; L7-F186 HydrophobicContact CD2-CE1 3.65Å; L7-F186 HydrophobicContact CD2-CE2 3.69Å; L7-F186 HydrophobicContact CD2-CG 3.15Å; L7-F186 HydrophobicContact CD2-CZ 3.84Å; L7-F186 HydrophobicContact CG-CD1 3.84Å; L7-F186 HydrophobicContact CG-CE1 3.96Å; L7-F186 HydrophobicContact CG-CG 4.18Å; L7-F186 HydrophobicContact CG-CZ 4.41Å; W10-F186 HydrophobicContact CB-CE2 4.11Å; W10-F186 HydrophobicContact CB-CZ 3.56Å; W10-F186 AromaticContact CD2-CE2 3.6Å; W10-F186 HydrophobicContact CD2-CE2 3.6Å; W10-F186 AromaticContact CD2-CZ 3.82Å; W10-F186 HydrophobicContact CD2-CZ 3.82Å; W10-F186 AromaticContact CE3-CE2 3.59Å; W10-F186 HydrophobicContact CE3-CE2 3.59Å; W10-F186 HydrophobicContact CE3-CZ 4.23Å; W10-F186 AromaticContact CG-CE2 3.85Å; W10-F186 HydrophobicContact CG-CE2 3.85Å; W10-F186 AromaticContact CG-CZ 3.53Å; W10-F186 HydrophobicContact CG-CZ 3.53Å; W10-F186 HydrophobicContact CZ3-CE2 4.35Å; C182-F186 WeakPolarHBondContact O-CD2 3.41Å; C182-F186 PolarHBondContact O-N 3.47Å; L183-F186 CarbonylContact O-C 3.46Å; L183-F186 PolarHBondContact O-N 3.17Å; E184-F186 PolarHBondContact O-N 3.48Å; F186-L188 HydrophobicContact CB-CD1 3.94Å; F186-L188 HydrophobicContact CB-CG 3.82Å; F186-L188 PolarHBondContact O-N 2.83Å |
| 187 | G | 65.3 | Low | 81 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 28.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K158 L183 E184 | K158-G187 VanDerWaalsContact CD-O 3.3Å; K158-G187 WeakPolarHBondContact CD-O 3.33Å; K158-G187 WeakPolarHBondContact CE-O 3.48Å; K158-G187 PolarHBondContact NZ-O 3.25Å; L183-G187 PolarHBondContact O-N 2.86Å; E184-G187 PolarHBondContact O-N 3.12Å; E184-G187 VanDerWaalsContact O-N 3.09Å |
| 188 | L | 60.8 | Low | 80 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | trans | -79 | 0 | 176.9 | -65.7 | 176.7 | 0 | 0 | 0 | 112.4 | L7 S157 K158 L159 L183 F186 | L7-L188 HydrophobicContact CD2-CD1 4.3Å; S157-L188 WeakPolarHBondContact CA-OXT 3.37Å; S157-L188 WeakPolarHBondContact CB-OXT 3.36Å; K158-L188 WeakPolarHBondContact CG-OXT 3.36Å; K158-L188 PolarHBondContact N-OXT 2.66Å; L159-L188 HydrophobicContact CB-CD2 4.46Å; L159-L188 HydrophobicContact CD1-CD2 3.28Å; L159-L188 HydrophobicContact CG-CD2 3.55Å; L183-L188 HydrophobicContact CB-CB 4.12Å; L183-L188 HydrophobicContact CD2-CB 3.76Å; L183-L188 HydrophobicContact CD2-CD1 3.79Å; L183-L188 HydrophobicContact CD2-CG 4.43Å; L183-L188 PolarHBondContact O-N 3.02Å; F186-L188 HydrophobicContact CB-CD1 3.94Å; F186-L188 HydrophobicContact CB-CG 3.82Å; F186-L188 PolarHBondContact O-N 2.83Å |
Retrieved 188 of 188 residues in 60.7 ms
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