| 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 | 29.2 | Very low | 65.8 | Low | 239 Ų | 239 | 71 Ų | 71 | 100% | 1.177 | 39% | 0.393 | S | S | * | . | 0 | 97 | 0 | -141.8 | 179.5 | -72.4 | 0 | 0 | 105.9 | V3 | M1-V3 PolarHBondContact O-N 2.96Š| |||
| 2 | S | 29.1 | Very low | 67.7 | Low | 92 Ų | 92 | 66.8 Ų | 66.8 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | trans | -66.9 | 106.5 | -175.8 | 52.5 | 0 | 0 | 0 | 0 | 108.4 | F4 | S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 WeakPolarHBondContact OG-CD2 3.39Å; S2-F4 VanDerWaalsContact OG-CE2 3.25Å; S2-F4 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 3 | V | 37.8 | Very low | 69.4 | Low | 141 Ų | 141 | 67.2 Ų | 67.2 | 86% | 0.855 | 38% | 0.376 | S | S | * | . | trans | -67 | 88.6 | 169.9 | -173.7 | 0 | 0 | 0 | 0 | 105.7 | M1 G5 | M1-V3 PolarHBondContact O-N 2.96Å; V3-G5 PolarHBondContact O-N 3.08Å | ||
| 4 | F | 47.5 | Very low | 70.9 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | trans | -64.8 | 93.7 | 167.3 | -83.3 | -85.4 | 0 | 0 | 0 | 105.7 | S2 H43 | S2-F4 PolarHBondContact O-N 3.44Å; S2-F4 WeakPolarHBondContact OG-CD2 3.39Å; S2-F4 VanDerWaalsContact OG-CE2 3.25Å; S2-F4 WeakPolarHBondContact OG-CE2 3.33Å; F4-H43 PolarHBondContact O-CE1 3.45Å; F4-H43 VanDerWaalsContact O-CE1 3.25Å | ||
| 5 | G | 60.1 | Low | 72.1 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 157.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V3 V7 | V3-G5 PolarHBondContact O-N 3.08Å; G5-V7 PolarHBondContact O-N 3.34Å |
| 6 | P | 73.3 | Confident | 73.1 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 25% | 0.253 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 137.6 | 178.6 | 23.8 | -32.6 | 0 | 0 | 0 | 110.7 | H43 I45 L151 | P6-H43 WeakPolarHBondContact CA-O 3.27Å; P6-I45 HydrophobicContact CB-CD1 3.78Å; P6-I45 HydrophobicContact CB-CG1 4.09Å; P6-I45 HydrophobicContact CG-CD1 3.81Å; P6-L151 HydrophobicContact CG-CD1 4.28Å |
| 7 | V | 85.2 | Confident | 74.1 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.7 | 176.9 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | G5 H43 S44 I45 K154 | G5-V7 PolarHBondContact O-N 3.34Å; V7-H43 PolarHBondContact N-O 3.32Å; V7-H43 VanDerWaalsContact N-O 3.14Å; V7-S44 WeakPolarHBondContact O-CA 3.26Å; V7-I45 PolarHBondContact O-N 3.46Å; V7-K154 HydrophobicContact CG1-CB 4.45Å; V7-K154 HydrophobicContact CG1-CD 3.84Å; V7-K154 HydrophobicContact CG1-CG 3.97Å |
| 8 | V | 87.8 | Confident | 75 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.6 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | I10 V47 I114 A131 L151 S152 V153 K154 | V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 3.95Å; V8-V47 HydrophobicContact CG1-CG2 3.96Å; V8-I114 HydrophobicContact CG2-CD1 4.02Å; V8-A131 HydrophobicContact CB-CB 4.26Å; V8-A131 HydrophobicContact CG1-CB 4.47Å; V8-A131 HydrophobicContact CG2-CB 3.9Å; V8-L151 HydrophobicContact CG2-CB 4.17Å; V8-L151 HydrophobicContact CG2-CD1 3.78Å; V8-S152 PolarHBondContact N-O 3.36Å; V8-S152 VanDerWaalsContact N-O 3.1Å; V8-V153 CarbonylContact O-C 3.39Å; V8-V153 WeakPolarHBondContact O-CA 3.35Å; V8-K154 PolarHBondContact O-N 3.44Å |
| 9 | K | 91.4 | Very high | 75.6 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117 | 178.1 | -64.8 | 161.2 | 161.4 | -179.7 | 0 | 107.7 | S44 I45 E46 V47 K154 I156 | K9-S44 PolarHBondContact NZ-OG 3.24Å; K9-I45 PolarHBondContact N-O 2.87Å; K9-E46 HydrophobicContact CB-CB 4.47Å; K9-E46 HydrophobicContact CB-CG 4.4Å; K9-E46 WeakPolarHBondContact O-CA 3.42Å; K9-V47 PolarHBondContact O-N 3.34Å; K9-K154 CarbonylContact C-O 3.57Å; K9-K154 VanDerWaalsContact CA-O 3.27Å; K9-K154 WeakPolarHBondContact CA-O 3.5Å; K9-I156 HydrophobicContact CB-CD1 3.63Å; K9-I156 HydrophobicContact CB-CG1 3.9Å; K9-I156 HydrophobicContact CD-CD1 3.33Å; K9-I156 HydrophobicContact CD-CG1 4.42Å; K9-I156 HydrophobicContact CG-CD1 3.4Å; K9-I156 VanDerWaalsContact CG-CD1 3.4Å; K9-I156 HydrophobicContact CG-CG1 4Å |
| 10 | I | 90.9 | Very high | 76.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.7 | -176.7 | -57.2 | 177 | 0 | 0 | 0 | 109.3 | V8 V14 L15 L116 I129 V153 K154 Y155 I156 | V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 3.95Å; I10-V14 HydrophobicContact CG2-CB 4.08Å; I10-V14 HydrophobicContact CG2-CG1 4.32Å; I10-L15 HydrophobicContact CG2-CD2 4.06Å; I10-L15 HydrophobicContact CG2-CG 4.26Å; I10-L116 HydrophobicContact CD1-CD1 3.58Å; I10-L116 HydrophobicContact CG1-CD1 4.41Å; I10-I129 HydrophobicContact CD1-CG2 4.11Å; I10-V153 HydrophobicContact CD1-CG1 3.35Å; I10-V153 HydrophobicContact CD1-CG2 4.43Å; I10-V153 HydrophobicContact CG1-CG1 3.98Å; I10-K154 PolarHBondContact N-O 3.45Å; I10-Y155 HydrophobicContact CB-CD1 4.29Å; I10-Y155 WeakPolarHBondContact O-CA 3.48Å; I10-I156 PolarHBondContact O-N 3.13Å |
| 11 | H | 91.1 | Very high | 76.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -84.6 | 140.9 | 170 | -72 | -86.5 | 0 | 0 | 0 | 111.5 | V13 V14 E46 V47 Y158 E161 | H11-V13 HydrophobicContact CB-CG1 3.88Å; H11-V13 PolarHBondContact O-N 3.23Å; H11-V13 VanDerWaalsContact O-N 3.16Å; H11-V14 WeakPolarHBondContact O-CB 3.29Å; H11-V14 PolarHBondContact O-N 2.85Å; H11-E46 IonicContact CD2-OE1 3.9Å; H11-E46 IonicContact CE1-OE1 3.86Å; H11-E46 IonicContact NE2-OE1 3.99Å; H11-E46 PolarHBondContact NE2-OE1 3.29Å; H11-V47 PolarHBondContact CD2-O 2.95Å; H11-V47 VanDerWaalsContact CD2-O 3.29Å; H11-V47 PolarHBondContact N-O 2.93Å; H11-Y158 AromaticContact CE1-CD2 3.67Å; H11-Y158 AromaticContact CE1-CE2 3.21Å; H11-Y158 WeakPolarHBondContact CE1-CE2 3.41Å; H11-Y158 AromaticContact CE1-CZ 3.55Å; H11-Y158 AromaticContact ND1-CD2 3.82Å; H11-Y158 AromaticContact ND1-CE2 3.68Å; H11-Y158 AromaticContact NE2-CE2 3.88Å; H11-E161 IonicContact ND1-OE2 2.74Å; H11-E161 PolarHBondContact ND1-OE2 2.93Å | ||
| 12 | P | 88.7 | Confident | 79.4 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.2 | -31.7 | 177.4 | -26 | 28.8 | 0 | 0 | 0 | 115.2 | V14 L15 A16 I156 Y157 E161 V165 | P12-V14 PolarHBondContact O-N 3.36Å; P12-L15 WeakPolarHBondContact O-CB 3.31Å; P12-L15 PolarHBondContact O-N 3.34Å; P12-A16 PolarHBondContact O-N 3.37Å; P12-I156 VanDerWaalsContact CD-O 3.23Å; P12-I156 WeakPolarHBondContact CD-O 3.27Å; P12-Y157 HydrophobicContact CG-CD1 3.3Å; P12-Y157 HydrophobicContact CG-CE1 3.25Å; P12-Y157 HydrophobicContact CG-CG 4.45Å; P12-E161 VanDerWaalsContact CB-OE1 3.29Å; P12-E161 WeakPolarHBondContact CB-OE1 3.31Å; P12-E161 WeakPolarHBondContact CD-OE1 3.44Å; P12-E161 HydrophobicContact CG-CG 4.38Å; P12-E161 WeakPolarHBondContact CG-OE1 3.5Å; P12-V165 HydrophobicContact CB-CG2 4.04Å; P12-V165 HydrophobicContact CG-CG2 4.23Å |
| 13 | V | 90.5 | Very high | 82.1 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53.8 | -37.9 | 174.4 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | H11 L15 A16 S17 T48 E161 | H11-V13 HydrophobicContact CB-CG1 3.88Å; H11-V13 PolarHBondContact O-N 3.23Å; H11-V13 VanDerWaalsContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 2.89Å; V13-A16 PolarHBondContact O-N 3.29Å; V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.37Å; V13-T48 WeakPolarHBondContact CG1-O 3.43Å; V13-E161 PolarHBondContact N-OE1 3.44Å |
| 14 | V | 90.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | I10 H11 P12 S17 I18 V47 C50 | I10-V14 HydrophobicContact CG2-CB 4.08Å; I10-V14 HydrophobicContact CG2-CG1 4.32Å; H11-V14 WeakPolarHBondContact O-CB 3.29Å; H11-V14 PolarHBondContact O-N 2.85Å; P12-V14 PolarHBondContact O-N 3.36Å; V14-S17 PolarHBondContact O-N 2.99Å; V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.37Å; V14-V47 HydrophobicContact CG1-CG1 4.12Å; V14-V47 HydrophobicContact CG2-CG1 3.93Å; V14-V47 WeakPolarHBondContact CG2-O 3.5Å; V14-C50 HydrophobicContact CG1-CB 4.08Å; V14-C50 PolarHBondContact O-SG 3.38Å |
| 15 | L | 88.5 | Confident | 85.9 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 178.7 | -56.8 | -172.9 | 0 | 0 | 0 | 112 | I10 P12 V13 S17 I18 C19 I129 Y155 | I10-L15 HydrophobicContact CG2-CD2 4.06Å; I10-L15 HydrophobicContact CG2-CG 4.26Å; P12-L15 WeakPolarHBondContact O-CB 3.31Å; P12-L15 PolarHBondContact O-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 2.89Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 2.99Å; L15-C19 WeakPolarHBondContact O-CB 3.47Å; L15-C19 PolarHBondContact O-N 3.07Å; L15-C19 PolarHBondContact O-SG 3.12Å; L15-I129 HydrophobicContact CD1-CD1 3.77Å; L15-I129 HydrophobicContact CD2-CD1 3.34Å; L15-I129 HydrophobicContact CG-CD1 4.18Å; L15-Y155 HydrophobicContact CD1-CD1 4.32Å; L15-Y155 HydrophobicContact CD1-CE1 3.74Å |
| 16 | A | 88.3 | Confident | 86.5 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 51% | 0.512 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P12 V13 C19 D20 | P12-A16 PolarHBondContact O-N 3.37Å; V13-A16 PolarHBondContact O-N 3.29Å; A16-C19 PolarHBondContact O-N 2.94Å; A16-D20 WeakPolarHBondContact O-CB 3.41Å; A16-D20 PolarHBondContact O-N 2.98Å |
| 17 | S | 90.4 | Very high | 86.2 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | V13 V14 L15 D20 S21 C50 | V13-S17 WeakPolarHBondContact O-CB 3.43Å; V13-S17 PolarHBondContact O-N 3.37Å; V14-S17 PolarHBondContact O-N 2.99Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.38Å; S17-D20 PolarHBondContact O-N 2.97Å; S17-S21 VanDerWaalsContact O-CB 3.29Å; S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.3Å; S17-C50 VanDerWaalsContact CB-SG 3.54Å; S17-C50 PolarHBondContact OG-O 3.49Å |
| 18 | I | 89.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 174 | -65.8 | 168.1 | 0 | 0 | 0 | 110.8 | V14 L15 S21 Y22 Y89 T91 L116 V118 | V14-I18 HydrophobicContact CG1-CD1 3.91Å; V14-I18 VanDerWaalsContact O-CG1 3.23Å; V14-I18 WeakPolarHBondContact O-CG1 3.41Å; V14-I18 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 2.99Å; I18-S21 PolarHBondContact O-N 2.98Å; I18-Y22 WeakPolarHBondContact O-CB 3.4Å; I18-Y22 PolarHBondContact O-N 3.4Å; I18-Y89 HydrophobicContact CB-CE2 4.32Å; I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.02Å; I18-Y89 HydrophobicContact CD1-CE2 4.44Å; I18-Y89 HydrophobicContact CD1-CG 3.92Å; I18-Y89 HydrophobicContact CG1-CD1 4.17Å; I18-Y89 HydrophobicContact CG1-CD2 3.84Å; I18-Y89 HydrophobicContact CG1-CE1 4.05Å; I18-Y89 HydrophobicContact CG1-CE2 3.75Å; I18-Y89 HydrophobicContact CG1-CG 4.05Å; I18-Y89 HydrophobicContact CG2-CD2 4.08Å; I18-Y89 HydrophobicContact CG2-CE2 3.95Å; I18-T91 HydrophobicContact CG2-CG2 4.04Å; I18-L116 HydrophobicContact CD1-CD2 4.27Å; I18-V118 HydrophobicContact CD1-CG2 3.96Å; I18-V118 HydrophobicContact CG2-CB 4.24Å; I18-V118 HydrophobicContact CG2-CG1 4.32Å; I18-V118 HydrophobicContact CG2-CG2 4.04Å |
| 19 | C | 87.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 176.9 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | L15 A16 S21 Y22 E23 | L15-C19 WeakPolarHBondContact O-CB 3.47Å; L15-C19 PolarHBondContact O-N 3.07Å; L15-C19 PolarHBondContact O-SG 3.12Å; A16-C19 PolarHBondContact O-N 2.94Å; C19-S21 VanDerWaalsContact C-N 3.33Å; C19-Y22 WeakPolarHBondContact O-CB 3.33Å; C19-Y22 PolarHBondContact O-N 3.42Å; C19-E23 PolarHBondContact O-N 3.19Å |
| 20 | D | 88.9 | Confident | 83.4 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.5 | -177.9 | 67.1 | 0 | 0 | 0 | 110.9 | A16 S17 Y22 E23 R24 | A16-D20 WeakPolarHBondContact O-CB 3.41Å; A16-D20 PolarHBondContact O-N 2.98Å; S17-D20 PolarHBondContact O-N 2.97Å; D20-Y22 VanDerWaalsContact C-N 3.3Å; D20-Y22 PolarHBondContact O-N 2.83Å; D20-E23 PolarHBondContact O-N 3.01Å; D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.35Å; D20-R24 IonicContact OD1-CZ 3.5Å; D20-R24 VanDerWaalsContact OD1-CZ 3.31Å; D20-R24 IonicContact OD1-NE 3.15Å; D20-R24 PolarHBondContact OD1-NE 2.74Å; D20-R24 IonicContact OD1-NH2 3.13Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.56Å; D20-R24 IonicContact OD2-NE 2.92Å; D20-R24 PolarHBondContact OD2-NE 2.86Å; D20-R24 VanDerWaalsContact OD2-NE 3.15Å; D20-R24 IonicContact OD2-NH1 2.89Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 2.91Å; D20-R24 VanDerWaalsContact OD2-NH2 3.13Å |
| 21 | S | 86.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 13% | 0.126 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | 175 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | S17 I18 C19 | S17-S21 VanDerWaalsContact O-CB 3.29Å; S17-S21 WeakPolarHBondContact O-CB 3.47Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.3Å; I18-S21 PolarHBondContact O-N 2.98Å; C19-S21 VanDerWaalsContact C-N 3.33Å |
| 22 | Y | 85.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 21% | 0.212 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 175.4 | -174.4 | -102.1 | 0 | 0 | 0 | 112.6 | I18 C19 D20 R25 V32 T91 T120 | I18-Y22 WeakPolarHBondContact O-CB 3.4Å; I18-Y22 PolarHBondContact O-N 3.4Å; C19-Y22 WeakPolarHBondContact O-CB 3.33Å; C19-Y22 PolarHBondContact O-N 3.42Å; D20-Y22 VanDerWaalsContact C-N 3.3Å; D20-Y22 PolarHBondContact O-N 2.83Å; Y22-R25 VanDerWaalsContact O-CD 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.3Å; Y22-R25 WeakPolarHBondContact O-CG 3.36Å; Y22-R25 PolarHBondContact OH-NH1 3.46Å; Y22-V32 HydrophobicContact CD2-CG2 4.27Å; Y22-T91 HydrophobicContact CD2-CG2 3.84Å; Y22-T91 HydrophobicContact CG-CG2 4.5Å; Y22-T120 HydrophobicContact CD1-CG2 3.93Å; Y22-T120 HydrophobicContact CD2-CG2 3.98Å; Y22-T120 HydrophobicContact CE1-CG2 4.07Å; Y22-T120 HydrophobicContact CE2-CG2 4.1Å; Y22-T120 VanDerWaalsContact CE2-OG1 3.29Å; Y22-T120 WeakPolarHBondContact CE2-OG1 3.49Å; Y22-T120 HydrophobicContact CG-CG2 3.88Å; Y22-T120 PolarHBondContact OH-OG1 3.41Å |
| 23 | E | 85 | Confident | 82.5 | Confident | 161 Ų | 161 | 67.4 Ų | 67.4 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.4 | -37 | 178.2 | -169.3 | 170.3 | -179.7 | 0 | 0 | 112 | C19 D20 R25 | C19-E23 PolarHBondContact O-N 3.19Å; D20-E23 PolarHBondContact O-N 3.01Å; E23-R25 PolarHBondContact O-N 3.35Å |
| 24 | R | 84.8 | Confident | 82.5 | Confident | 182 Ų | 182 | 64 Ų | 64 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 20.3 | -179.4 | -62.9 | -177.9 | -167.8 | -167 | 8.8 | 115 | D20 | D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.35Å; D20-R24 IonicContact OD1-CZ 3.5Å; D20-R24 VanDerWaalsContact OD1-CZ 3.31Å; D20-R24 IonicContact OD1-NE 3.15Å; D20-R24 PolarHBondContact OD1-NE 2.74Å; D20-R24 IonicContact OD1-NH2 3.13Å; D20-R24 PolarHBondContact OD1-NH2 3.42Å; D20-R24 IonicContact OD2-CZ 3.56Å; D20-R24 IonicContact OD2-NE 2.92Å; D20-R24 PolarHBondContact OD2-NE 2.86Å; D20-R24 VanDerWaalsContact OD2-NE 3.15Å; D20-R24 IonicContact OD2-NH1 2.89Å; D20-R24 IonicContact OD2-NH2 2.7Å; D20-R24 PolarHBondContact OD2-NH2 2.91Å; D20-R24 VanDerWaalsContact OD2-NH2 3.13Å |
| 25 | R | 80.6 | Confident | 82.5 | Confident | 112 Ų | 112 | 64 Ų | 64 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.8 | -177.9 | 64.8 | -171.9 | -176.7 | 172.1 | -6.8 | 112.7 | Y22 E23 A29 V32 | Y22-R25 VanDerWaalsContact O-CD 3.27Å; Y22-R25 WeakPolarHBondContact O-CD 3.3Å; Y22-R25 WeakPolarHBondContact O-CG 3.36Å; Y22-R25 PolarHBondContact OH-NH1 3.46Å; E23-R25 PolarHBondContact O-N 3.35Å; R25-A29 WeakPolarHBondContact CD-O 3.36Å; R25-A29 PolarHBondContact NH1-O 3.21Å; R25-V32 HydrophobicContact CB-CG2 4.47Å |
| 26 | N | 72.8 | Confident | 82.7 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 72% | 0.717 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 145.5 | 169.2 | -69.3 | -12.8 | 0 | 0 | 0 | 110.3 | G28 A29 | N26-G28 PolarHBondContact O-N 2.88Å; N26-G28 VanDerWaalsContact O-N 3.13Å; N26-A29 PolarHBondContact O-N 3.23Å; N26-A29 VanDerWaalsContact O-N 3.12Å |
| 27 | E | 66.4 | Low | 82.9 | Confident | 207 Ų | 207 | 59.5 Ų | 59.5 | 97% | 0.967 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 118 | 177 | -68.2 | -173.6 | 155.9 | 0 | 0 | 110.3 | ||
| 28 | G | 64.9 | Low | 82.9 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 87% | 0.866 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | -17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N26 S30 | N26-G28 PolarHBondContact O-N 2.88Å; N26-G28 VanDerWaalsContact O-N 3.13Å; G28-S30 PolarHBondContact O-N 3.43Å |
| 29 | A | 69.3 | Low | 82.9 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | trans | -79.2 | 116.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | R25 N26 | R25-A29 WeakPolarHBondContact CD-O 3.36Å; R25-A29 PolarHBondContact NH1-O 3.21Å; N26-A29 PolarHBondContact O-N 3.23Å; N26-A29 VanDerWaalsContact O-N 3.12Å | ||
| 30 | S | 71.9 | Confident | 82.8 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 53% | 0.531 | 33% | 0.327 | S | S | . | . | trans | -83 | -21.8 | 176.1 | 67 | 0 | 0 | 0 | 0 | 112.5 | G28 | G28-S30 PolarHBondContact O-N 3.43Š| ||
| 31 | R | 77.9 | Confident | 82.5 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | trans | -121.8 | 153.2 | -172.8 | -60.7 | 174.6 | 75 | -175.5 | 9.3 | 111.5 | H55 E57 T91 T96 S99 | R31-H55 PolarHBondContact O-CE1 2.99Å; R31-H55 PolarHBondContact O-NE2 3.46Å; R31-E57 WeakPolarHBondContact CD-OE1 3.36Å; R31-E57 IonicContact CZ-OE1 2.95Å; R31-E57 IonicContact NH1-OE1 3.9Å; R31-E57 PolarHBondContact NH1-OE1 3.34Å; R31-T91 WeakPolarHBondContact CA-OG1 3.04Å; R31-T96 VanDerWaalsContact CZ-OG1 3.28Å; R31-T96 PolarHBondContact NH1-OG1 3.07Å; R31-T96 PolarHBondContact NH2-OG1 2.95Å; R31-S99 PolarHBondContact NH2-OG 2.97Å | ||
| 32 | V | 85.9 | Confident | 82 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | trans | -130.1 | 129.1 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | Y22 R25 Y89 A90 T91 | Y22-V32 HydrophobicContact CD2-CG2 4.27Å; R25-V32 HydrophobicContact CB-CG2 4.47Å; V32-Y89 HydrophobicContact CG1-CE2 4.27Å; V32-A90 WeakPolarHBondContact O-CA 3.42Å; V32-T91 HydrophobicContact CB-CG2 4.13Å; V32-T91 PolarHBondContact N-OG1 3.42Å; V32-T91 PolarHBondContact O-N 3.5Å | ||
| 33 | I | 88.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.7 | 176.4 | -63.2 | 167.3 | 0 | 0 | 0 | 107.4 | V53 H55 V62 W88 Y89 I102 | I33-V53 PolarHBondContact O-N 2.99Å; I33-V53 VanDerWaalsContact O-O 3.12Å; I33-H55 HydrophobicContact CD1-CB 3.98Å; I33-V62 HydrophobicContact CD1-CG1 4.17Å; I33-W88 HydrophobicContact CG1-CZ3 4.47Å; I33-W88 HydrophobicContact CG2-CE3 3.98Å; I33-W88 HydrophobicContact CG2-CZ3 4.31Å; I33-Y89 WeakPolarHBondContact CA-O 3.43Å; I33-I102 HydrophobicContact CD1-CD1 3.43Å; I33-I102 VanDerWaalsContact CD1-CD1 3.43Å; I33-I102 HydrophobicContact CD1-CG1 4.4Å; I33-I102 HydrophobicContact CG1-CD1 4.39Å |
| 34 | G | 90.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 167.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F51 W88 Y89 | G34-F51 CarbonylContact C-O 3.54Å; G34-F51 WeakPolarHBondContact CA-O 3.44Å; G34-W88 CarbonylContact O-C 3.58Å; G34-W88 WeakPolarHBondContact O-CA 3.4Å; G34-W88 VanDerWaalsContact O-CB 3.31Å; G34-W88 WeakPolarHBondContact O-CB 3.47Å; G34-Y89 PolarHBondContact N-O 3Å; G34-Y89 WeakPolarHBondContact O-CD1 3.5Å; G34-Y89 PolarHBondContact O-N 3.32Å |
| 35 | T | 91.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.5 | 178.4 | -51.9 | 0 | 0 | 0 | 0 | 108.7 | C50 F51 I85 G87 Y106 | T35-C50 WeakPolarHBondContact O-CA 3.41Å; T35-F51 VanDerWaalsContact CB-CZ 3.46Å; T35-F51 HydrophobicContact CG2-CE1 4.12Å; T35-F51 HydrophobicContact CG2-CZ 3.99Å; T35-F51 PolarHBondContact N-O 3.31Å; T35-F51 PolarHBondContact O-N 3.39Å; T35-F51 VanDerWaalsContact O-N 3.07Å; T35-I85 HydrophobicContact CG2-CG1 4.28Å; T35-I85 HydrophobicContact CG2-CG2 3.7Å; T35-G87 WeakPolarHBondContact CG2-O 3.31Å; T35-Y106 HydrophobicContact CG2-CE1 4.01Å; T35-Y106 PolarHBondContact OG1-OH 3.05Å |
| 36 | I | 92.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.7 | 171 | 55.2 | 170.2 | 0 | 0 | 0 | 110.3 | V47 C50 I86 G87 Y89 I114 | I36-V47 HydrophobicContact CB-CG1 3.87Å; I36-V47 HydrophobicContact CD1-CG1 4.48Å; I36-V47 HydrophobicContact CD1-CG2 4.31Å; I36-V47 HydrophobicContact CG2-CG1 4.18Å; I36-C50 HydrophobicContact CG2-CB 4.04Å; I36-I86 HydrophobicContact CD1-CB 4.48Å; I36-I86 HydrophobicContact CD1-CG2 4.14Å; I36-I86 HydrophobicContact CG1-CB 4.38Å; I36-I86 PolarHBondContact O-N 3.4Å; I36-I86 VanDerWaalsContact O-N 3.12Å; I36-G87 WeakPolarHBondContact CG1-O 3.36Å; I36-G87 PolarHBondContact N-O 3.29Å; I36-Y89 HydrophobicContact CG2-CD1 3.72Å; I36-Y89 HydrophobicContact CG2-CG 4.37Å; I36-I114 HydrophobicContact CD1-CB 4.35Å; I36-I114 HydrophobicContact CD1-CG2 4.5Å |
| 37 | L | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.1 | -179.2 | -65.2 | 172.6 | 0 | 0 | 0 | 109.8 | T48 N49 F51 Y73 H76 E83 V84 I85 | L37-T48 PolarHBondContact O-N 2.71Å; L37-N49 HydrophobicContact CB-CB 4.25Å; L37-N49 PolarHBondContact N-O 2.88Å; L37-N49 PolarHBondContact O-N 3.48Å; L37-F51 HydrophobicContact CD1-CD1 3.75Å; L37-F51 HydrophobicContact CD1-CE1 3.7Å; L37-F51 HydrophobicContact CD2-CE1 4.17Å; L37-F51 HydrophobicContact CG-CD1 4.19Å; L37-F51 HydrophobicContact CG-CE1 3.91Å; L37-Y73 HydrophobicContact CD2-CD2 3.81Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å; L37-H76 HydrophobicContact CD1-CB 3.76Å; L37-E83 HydrophobicContact CB-CB 4.4Å; L37-V84 WeakPolarHBondContact CA-O 3.49Å; L37-I85 HydrophobicContact CD2-CG1 3.87Å |
| 38 | G | 90.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -150.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | E46 T48 V84 I86 | G38-E46 CarbonylContact C-O 3.41Å; G38-E46 WeakPolarHBondContact CA-O 3.39Å; G38-T48 WeakPolarHBondContact CA-OG1 3.26Å; G38-V84 PolarHBondContact N-O 3.2Å; G38-V84 VanDerWaalsContact N-O 3.08Å; G38-V84 WeakPolarHBondContact O-CG2 3.27Å; G38-V84 PolarHBondContact O-N 3.07Å; G38-I86 VanDerWaalsContact C-CD1 3.41Å; G38-I86 VanDerWaalsContact CA-CD1 3.41Å |
| 39 | T | 88.6 | Confident | 85.6 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 31% | 0.307 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.8 | -177.8 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | E46 | T39-E46 PolarHBondContact N-O 3.15Å; T39-E46 PolarHBondContact O-N 3.42Å |
| 40 | I | 85.4 | Confident | 86.6 | Confident | 98 Ų | 98 | 38.5 Ų | 38.5 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.8 | 175.9 | -59.2 | 173.1 | 0 | 0 | 0 | 107.3 | I45 V84 I86 | I40-I45 HydrophobicContact CG1-CG2 4.46Å; I40-I45 HydrophobicContact CG2-CG1 4.37Å; I40-V84 HydrophobicContact CD1-CG2 4.32Å; I40-V84 HydrophobicContact CG1-CG2 4.34Å; I40-I86 HydrophobicContact CD1-CG1 4.38Å; I40-I86 HydrophobicContact CG1-CG1 3.96Å |
| 41 | D | 83.1 | Confident | 87.5 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 150.3 | 163.7 | 177.3 | 46.4 | 0 | 0 | 0 | 109.2 | H43 S44 | D41-H43 PolarHBondContact O-N 3.02Å; D41-S44 CarbonylContact C-O 3.45Å; D41-S44 VanDerWaalsContact CA-O 3.28Å; D41-S44 WeakPolarHBondContact CA-O 3.45Å; D41-S44 VanDerWaalsContact CB-O 3.26Å; D41-S44 WeakPolarHBondContact CB-O 3.5Å; D41-S44 PolarHBondContact N-O 3.02Å; D41-S44 CarbonylContact O-C 3.46Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 PolarHBondContact OD2-OG 2.94Å |
| 42 | K | 77.1 | Confident | 88.1 | Confident | 205 Ų | 205 | 37 Ų | 37 | 89% | 0.891 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -30.5 | -163.7 | -68.9 | 177.8 | -179.7 | 174.7 | 0 | 115 | ||
| 43 | H | 79.9 | Confident | 88.1 | Confident | 103 Ų | 103 | 36.6 Ų | 36.6 | 48% | 0.477 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 1.6 | 178.2 | -158.5 | 65.4 | 0 | 0 | 0 | 113.7 | F4 P6 V7 D41 | F4-H43 PolarHBondContact O-CE1 3.45Å; F4-H43 VanDerWaalsContact O-CE1 3.25Å; P6-H43 WeakPolarHBondContact CA-O 3.27Å; V7-H43 PolarHBondContact N-O 3.32Å; V7-H43 VanDerWaalsContact N-O 3.14Å; D41-H43 PolarHBondContact O-N 3.02Å |
| 44 | S | 83.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 133.2 | -179.5 | 74.9 | 0 | 0 | 0 | 0 | 111 | V7 K9 D41 | V7-S44 WeakPolarHBondContact O-CA 3.26Å; K9-S44 PolarHBondContact NZ-OG 3.24Å; D41-S44 CarbonylContact C-O 3.45Å; D41-S44 VanDerWaalsContact CA-O 3.28Å; D41-S44 WeakPolarHBondContact CA-O 3.45Å; D41-S44 VanDerWaalsContact CB-O 3.26Å; D41-S44 WeakPolarHBondContact CB-O 3.5Å; D41-S44 PolarHBondContact N-O 3.02Å; D41-S44 CarbonylContact O-C 3.46Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 PolarHBondContact OD2-OG 2.94Å |
| 45 | I | 87.9 | Confident | 87.5 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | -175.3 | -59.9 | 172.9 | 0 | 0 | 0 | 106.9 | P6 V7 K9 I40 I86 I114 | P6-I45 HydrophobicContact CB-CD1 3.78Å; P6-I45 HydrophobicContact CB-CG1 4.09Å; P6-I45 HydrophobicContact CG-CD1 3.81Å; V7-I45 PolarHBondContact O-N 3.46Å; K9-I45 PolarHBondContact N-O 2.87Å; I40-I45 HydrophobicContact CG1-CG2 4.46Å; I40-I45 HydrophobicContact CG2-CG1 4.37Å; I45-I86 HydrophobicContact CG2-CB 4.47Å; I45-I86 HydrophobicContact CG2-CD1 3.66Å; I45-I86 HydrophobicContact CG2-CG1 4.17Å; I45-I86 HydrophobicContact CG2-CG2 3.49Å; I45-I86 VanDerWaalsContact CG2-CG2 3.49Å; I45-I114 HydrophobicContact CB-CD1 4.02Å; I45-I114 HydrophobicContact CD1-CD1 3.37Å; I45-I114 HydrophobicContact CD1-CG1 4.26Å; I45-I114 HydrophobicContact CG1-CD1 4.24Å; I45-I114 HydrophobicContact CG2-CD1 3.68Å |
| 46 | E | 90.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 47 Ų | 47 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.8 | -175.7 | -169 | 170.8 | 166.5 | 0 | 0 | 109.4 | K9 H11 G38 T39 T48 I86 Y158 | K9-E46 HydrophobicContact CB-CB 4.47Å; K9-E46 HydrophobicContact CB-CG 4.4Å; K9-E46 WeakPolarHBondContact O-CA 3.42Å; H11-E46 IonicContact CD2-OE1 3.9Å; H11-E46 IonicContact CE1-OE1 3.86Å; H11-E46 IonicContact NE2-OE1 3.99Å; H11-E46 PolarHBondContact NE2-OE1 3.29Å; G38-E46 CarbonylContact C-O 3.41Å; G38-E46 WeakPolarHBondContact CA-O 3.39Å; T39-E46 PolarHBondContact N-O 3.15Å; T39-E46 PolarHBondContact O-N 3.42Å; E46-T48 HydrophobicContact CG-CG2 4.32Å; E46-I86 WeakPolarHBondContact O-CD1 3.33Å; E46-Y158 PolarHBondContact OE1-OH 3.41Å |
| 47 | V | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 104 | -179.7 | -170 | 0 | 0 | 0 | 0 | 107.9 | V8 K9 H11 V14 I36 I86 | V8-V47 HydrophobicContact CG1-CG2 3.96Å; K9-V47 PolarHBondContact O-N 3.34Å; H11-V47 PolarHBondContact CD2-O 2.95Å; H11-V47 VanDerWaalsContact CD2-O 3.29Å; H11-V47 PolarHBondContact N-O 2.93Å; V14-V47 HydrophobicContact CG1-CG1 4.12Å; V14-V47 HydrophobicContact CG2-CG1 3.93Å; V14-V47 WeakPolarHBondContact CG2-O 3.5Å; I36-V47 HydrophobicContact CB-CG1 3.87Å; I36-V47 HydrophobicContact CD1-CG1 4.48Å; I36-V47 HydrophobicContact CD1-CG2 4.31Å; I36-V47 HydrophobicContact CG2-CG1 4.18Å; V47-I86 HydrophobicContact CG2-CD1 4.47Å |
| 48 | T | 89.6 | Confident | 84.9 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -33 | -177.3 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | V13 L37 G38 E46 E83 | V13-T48 WeakPolarHBondContact CG1-O 3.43Å; L37-T48 PolarHBondContact O-N 2.71Å; G38-T48 WeakPolarHBondContact CA-OG1 3.26Å; E46-T48 HydrophobicContact CG-CG2 4.32Å; T48-E83 PolarHBondContact OG1-OE1 3.25Å |
| 49 | N | 91.3 | Very high | 83.7 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 160.8 | -170.7 | -152.3 | -12 | 0 | 0 | 0 | 112.1 | L37 H76 E83 | L37-N49 HydrophobicContact CB-CB 4.25Å; L37-N49 PolarHBondContact N-O 2.88Å; L37-N49 PolarHBondContact O-N 3.48Å; N49-H76 PolarHBondContact ND2-CE1 2.91Å; N49-H76 PolarHBondContact ND2-ND1 3.15Å; N49-E83 WeakPolarHBondContact CB-OE1 3.39Å |
| 50 | C | 91.4 | Very high | 82.5 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 152 | 174.4 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | V14 S17 T35 I36 Y89 | V14-C50 HydrophobicContact CG1-CB 4.08Å; V14-C50 PolarHBondContact O-SG 3.38Å; S17-C50 VanDerWaalsContact CB-SG 3.54Å; S17-C50 PolarHBondContact OG-O 3.49Å; T35-C50 WeakPolarHBondContact O-CA 3.41Å; I36-C50 HydrophobicContact CG2-CB 4.04Å; C50-Y89 HydrophobicContact CB-CD1 4.21Å; C50-Y89 HydrophobicContact CB-CE1 3.91Å |
| 51 | F | 90.8 | Very high | 81.6 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.9 | 173.4 | 62.5 | -91.4 | 0 | 0 | 0 | 110.4 | G34 T35 L37 V53 M72 | G34-F51 CarbonylContact C-O 3.54Å; G34-F51 WeakPolarHBondContact CA-O 3.44Å; T35-F51 VanDerWaalsContact CB-CZ 3.46Å; T35-F51 HydrophobicContact CG2-CE1 4.12Å; T35-F51 HydrophobicContact CG2-CZ 3.99Å; T35-F51 PolarHBondContact N-O 3.31Å; T35-F51 PolarHBondContact O-N 3.39Å; T35-F51 VanDerWaalsContact O-N 3.07Å; L37-F51 HydrophobicContact CD1-CD1 3.75Å; L37-F51 HydrophobicContact CD1-CE1 3.7Å; L37-F51 HydrophobicContact CD2-CE1 4.17Å; L37-F51 HydrophobicContact CG-CD1 4.19Å; L37-F51 HydrophobicContact CG-CE1 3.91Å; F51-V53 HydrophobicContact CD2-CG2 3.92Å; F51-V53 HydrophobicContact CE2-CG2 3.61Å; F51-M72 HydrophobicContact CB-CG 4.18Å; F51-M72 HydrophobicContact CD1-CG 4.16Å; F51-M72 HydrophobicContact CD2-CB 4.02Å; F51-M72 HydrophobicContact CD2-CG 3.57Å; F51-M72 HydrophobicContact CE1-CG 4.44Å; F51-M72 HydrophobicContact CE2-CB 3.82Å; F51-M72 HydrophobicContact CE2-CG 3.87Å; F51-M72 HydrophobicContact CG-CG 3.72Å; F51-M72 HydrophobicContact CZ-CB 4.18Å; F51-M72 HydrophobicContact CZ-CG 4.29Å |
| 52 | S | 89.2 | Confident | 81.1 | Confident | 50 Ų | 50 | 65.2 Ų | 65.2 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 140.9 | 174.5 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | Y89 | S52-Y89 WeakPolarHBondContact CA-OH 3.26Å |
| 53 | V | 87.3 | Confident | 81 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.4 | 173.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | I33 F51 H55 V64 F68 A69 | I33-V53 PolarHBondContact O-N 2.99Å; I33-V53 VanDerWaalsContact O-O 3.12Å; F51-V53 HydrophobicContact CD2-CG2 3.92Å; F51-V53 HydrophobicContact CE2-CG2 3.61Å; V53-H55 PolarHBondContact O-N 3.38Å; V53-V64 HydrophobicContact CB-CG1 4.33Å; V53-V64 HydrophobicContact CG1-CG1 3.54Å; V53-F68 HydrophobicContact CG1-CD1 4.39Å; V53-A69 HydrophobicContact CG1-CB 4.39Å; V53-A69 HydrophobicContact CG2-CB 4.22Å |
| 54 | P | 84.5 | Confident | 81 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -60.7 | 131.4 | 174.1 | 26.2 | -32 | 0 | 0 | 0 | 108.8 | D65 F68 | P54-D65 HydrophobicContact CG-CB 4.22Å; P54-D65 PolarHBondContact O-N 3.05Å; P54-F68 VanDerWaalsContact CD-CD1 3.42Å; P54-F68 HydrophobicContact CG-CB 4.44Å; P54-F68 HydrophobicContact CG-CD1 4.18Å; P54-F68 HydrophobicContact CG-CG 4.12Å | ||
| 55 | H | 80.8 | Confident | 81 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.7 | 177.5 | 64.8 | -73.5 | 0 | 0 | 0 | 108.3 | R31 I33 V53 V62 A63 V64 | R31-H55 PolarHBondContact O-CE1 2.99Å; R31-H55 PolarHBondContact O-NE2 3.46Å; I33-H55 HydrophobicContact CD1-CB 3.98Å; V53-H55 PolarHBondContact O-N 3.38Å; H55-V62 HydrophobicContact CB-CG1 4.49Å; H55-A63 WeakPolarHBondContact CA-O 3.47Å; H55-V64 HydrophobicContact CB-CG2 4.46Å |
| 56 | N | 78.1 | Confident | 80.6 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.2 | 171.2 | -155.6 | 16.5 | 0 | 0 | 0 | 107.5 | V62 A63 | N56-V62 WeakPolarHBondContact O-CA 3.49Å; N56-A63 PolarHBondContact N-O 2.9Å; N56-A63 PolarHBondContact O-N 2.86Å |
| 57 | E | 69.3 | Low | 80.3 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.2 | 179.8 | -169.2 | 168.7 | -147.3 | 0 | 0 | 108.2 | R31 V62 H98 | R31-E57 WeakPolarHBondContact CD-OE1 3.36Å; R31-E57 IonicContact CZ-OE1 2.95Å; R31-E57 IonicContact NH1-OE1 3.9Å; R31-E57 PolarHBondContact NH1-OE1 3.34Å; E57-V62 HydrophobicContact CB-CG2 4.49Å; E57-V62 HydrophobicContact CG-CG2 4.04Å; E57-H98 IonicContact OE1-CD2 3.17Å |
| 58 | S | 72.6 | Confident | 80.2 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | trans | -110.3 | 164.2 | 165.8 | -65.5 | 0 | 0 | 0 | 0 | 109 | D60 E61 | S58-D60 PolarHBondContact O-N 3.13Å; S58-E61 PolarHBondContact N-O 3.25Å; S58-E61 PolarHBondContact O-N 3.44Å | ||
| 59 | E | 65.1 | Low | 80 | Confident | 192 Ų | 192 | 67.9 Ų | 67.9 | 90% | 0.897 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -54.2 | -25.3 | -171.2 | -69.7 | -173.7 | 165.1 | 0 | 0 | 115 | H98 | E59-H98 PolarHBondContact O-CE1 3.36Å; E59-H98 VanDerWaalsContact O-CE1 3.29Å |
| 60 | D | 64.3 | Low | 79.8 | Confident | 141 Ų | 141 | 70.7 Ų | 70.7 | 75% | 0.754 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -128.7 | -10.8 | -178.5 | -124.8 | -3.2 | 0 | 0 | 0 | 113.8 | S58 | S58-D60 PolarHBondContact O-N 3.13Š|
| 61 | E | 67.1 | Low | 79.7 | Confident | 149 Ų | 149 | 75.1 Ų | 75.1 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | trans | -131.7 | 129.1 | -176 | -70.7 | -171 | 169.7 | 0 | 0 | 111.2 | S58 | S58-E61 PolarHBondContact N-O 3.25Å; S58-E61 PolarHBondContact O-N 3.44Å | ||
| 62 | V | 71.9 | Confident | 79.6 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.4 | 167.9 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | I33 H55 N56 E57 V64 H98 I102 | I33-V62 HydrophobicContact CD1-CG1 4.17Å; H55-V62 HydrophobicContact CB-CG1 4.49Å; N56-V62 WeakPolarHBondContact O-CA 3.49Å; E57-V62 HydrophobicContact CB-CG2 4.49Å; E57-V62 HydrophobicContact CG-CG2 4.04Å; V62-V64 HydrophobicContact CG1-CG2 4.27Å; V62-H98 HydrophobicContact CG2-CB 3.65Å; V62-I102 HydrophobicContact CG1-CD1 4.11Å; V62-I102 HydrophobicContact CG1-CG1 4.17Å |
| 63 | A | 75.6 | Confident | 79.6 | Confident | 62 Ų | 62 | 77 Ų | 77 | 51% | 0.512 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | H55 N56 | H55-A63 WeakPolarHBondContact CA-O 3.47Å; N56-A63 PolarHBondContact N-O 2.9Å; N56-A63 PolarHBondContact O-N 2.86Å |
| 64 | V | 80.1 | Confident | 79.7 | Confident | 33 Ų | 33 | 81.5 Ų | 81.5 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.9 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | V53 H55 V62 M66 I102 | V53-V64 HydrophobicContact CB-CG1 4.33Å; V53-V64 HydrophobicContact CG1-CG1 3.54Å; H55-V64 HydrophobicContact CB-CG2 4.46Å; V62-V64 HydrophobicContact CG1-CG2 4.27Å; V64-M66 PolarHBondContact O-N 3.03Å; V64-M66 VanDerWaalsContact O-N 3.1Å; V64-I102 HydrophobicContact CG2-CG1 4.41Å |
| 65 | D | 83.8 | Confident | 80 | Confident | 74 Ų | 74 | 82.9 Ų | 82.9 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | trans | -74 | 101.9 | 178.1 | -171.5 | -19.1 | 0 | 0 | 0 | 111.3 | P54 E67 F68 A69 | P54-D65 HydrophobicContact CG-CB 4.22Å; P54-D65 PolarHBondContact O-N 3.05Å; D65-E67 PolarHBondContact OD1-N 3.17Å; D65-F68 HydrophobicContact CB-CB 3.99Å; D65-F68 PolarHBondContact OD1-N 2.83Å; D65-A69 PolarHBondContact O-N 3.23Å | ||
| 66 | M | 77.9 | Confident | 80.4 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.9 | -30.1 | -179 | -172.1 | 58.3 | 64.3 | 0 | 0 | 112.9 | V64 F68 A69 K70 | V64-M66 PolarHBondContact O-N 3.03Å; V64-M66 VanDerWaalsContact O-N 3.1Å; M66-F68 VanDerWaalsContact C-N 3.33Å; M66-A69 PolarHBondContact O-N 3.34Å; M66-A69 HydrophobicContact SD-CB 4.43Å; M66-K70 HydrophobicContact CG-CD 4.12Å; M66-K70 HydrophobicContact CG-CG 4.41Å; M66-K70 WeakPolarHBondContact O-CB 3.47Å; M66-K70 WeakPolarHBondContact O-CG 3.38Å; M66-K70 PolarHBondContact O-N 3.08Å; M66-K70 HydrophobicContact SD-CG 4.36Å |
| 67 | E | 85.5 | Confident | 80.9 | Confident | 150 Ų | 150 | 82.2 Ų | 82.2 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | 177.7 | -68.5 | -172.6 | 175.8 | 0 | 0 | 109.6 | D65 K70 N71 | D65-E67 PolarHBondContact OD1-N 3.17Å; E67-K70 PolarHBondContact O-N 3.08Å; E67-N71 WeakPolarHBondContact O-CB 3.42Å; E67-N71 PolarHBondContact O-N 3.49Å; E67-N71 PolarHBondContact O-ND2 3.46Å; E67-N71 VanDerWaalsContact O-ND2 3.13Å |
| 68 | F | 87.8 | Confident | 81.9 | Confident | 71 Ų | 71 | 87.8 Ų | 87.8 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 172.2 | -172.8 | -90.7 | 0 | 0 | 0 | 111.8 | V53 P54 D65 M66 K70 N71 M72 | V53-F68 HydrophobicContact CG1-CD1 4.39Å; P54-F68 VanDerWaalsContact CD-CD1 3.42Å; P54-F68 HydrophobicContact CG-CB 4.44Å; P54-F68 HydrophobicContact CG-CD1 4.18Å; P54-F68 HydrophobicContact CG-CG 4.12Å; D65-F68 HydrophobicContact CB-CB 3.99Å; D65-F68 PolarHBondContact OD1-N 2.83Å; M66-F68 VanDerWaalsContact C-N 3.33Å; F68-K70 VanDerWaalsContact C-N 3.34Å; F68-K70 PolarHBondContact O-N 3.34Å; F68-N71 PolarHBondContact O-N 2.99Å; F68-M72 HydrophobicContact CE1-CB 4.47Å; F68-M72 HydrophobicContact CE1-CE 3.89Å; F68-M72 HydrophobicContact CE2-CE 4.06Å; F68-M72 HydrophobicContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact O-CB 3.29Å; F68-M72 WeakPolarHBondContact O-CB 3.31Å; F68-M72 PolarHBondContact O-N 2.95Å |
| 69 | A | 85.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 8% | 0.083 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V53 D65 M66 Y73 | V53-A69 HydrophobicContact CG1-CB 4.39Å; V53-A69 HydrophobicContact CG2-CB 4.22Å; D65-A69 PolarHBondContact O-N 3.23Å; M66-A69 PolarHBondContact O-N 3.34Å; M66-A69 HydrophobicContact SD-CB 4.43Å; A69-Y73 VanDerWaalsContact O-CB 3.24Å; A69-Y73 WeakPolarHBondContact O-CB 3.32Å; A69-Y73 PolarHBondContact O-N 2.96Å |
| 70 | K | 86.9 | Confident | 83.7 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 177.4 | -75.4 | 178.1 | 178.6 | -179.5 | 0 | 112.3 | M66 E67 F68 M72 Y73 E74 E109 | M66-K70 HydrophobicContact CG-CD 4.12Å; M66-K70 HydrophobicContact CG-CG 4.41Å; M66-K70 WeakPolarHBondContact O-CB 3.47Å; M66-K70 WeakPolarHBondContact O-CG 3.38Å; M66-K70 PolarHBondContact O-N 3.08Å; M66-K70 HydrophobicContact SD-CG 4.36Å; E67-K70 PolarHBondContact O-N 3.08Å; F68-K70 VanDerWaalsContact C-N 3.34Å; F68-K70 PolarHBondContact O-N 3.34Å; K70-M72 VanDerWaalsContact C-N 3.33Å; K70-M72 PolarHBondContact O-N 3.26Å; K70-Y73 PolarHBondContact O-N 2.78Å; K70-E74 PolarHBondContact O-N 2.83Å; K70-E109 WeakPolarHBondContact CE-OE1 3.49Å; K70-E109 IonicContact NZ-OE1 3.17Å; K70-E109 PolarHBondContact NZ-OE1 3.01Å |
| 71 | N | 90.7 | Very high | 84.8 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 176.2 | -72.6 | -28.4 | 0 | 0 | 0 | 111 | E67 F68 E74 L75 | E67-N71 WeakPolarHBondContact O-CB 3.42Å; E67-N71 PolarHBondContact O-N 3.49Å; E67-N71 PolarHBondContact O-ND2 3.46Å; E67-N71 VanDerWaalsContact O-ND2 3.13Å; F68-N71 PolarHBondContact O-N 2.99Å; N71-E74 PolarHBondContact O-N 2.82Å; N71-L75 WeakPolarHBondContact O-CG 3.47Å; N71-L75 PolarHBondContact O-N 2.96Å |
| 72 | M | 87.7 | Confident | 85.8 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.1 | -163.6 | 57.9 | 71 | 0 | 0 | 111.5 | F51 F68 K70 E74 L75 H76 | F51-M72 HydrophobicContact CB-CG 4.18Å; F51-M72 HydrophobicContact CD1-CG 4.16Å; F51-M72 HydrophobicContact CD2-CB 4.02Å; F51-M72 HydrophobicContact CD2-CG 3.57Å; F51-M72 HydrophobicContact CE1-CG 4.44Å; F51-M72 HydrophobicContact CE2-CB 3.82Å; F51-M72 HydrophobicContact CE2-CG 3.87Å; F51-M72 HydrophobicContact CG-CG 3.72Å; F51-M72 HydrophobicContact CZ-CB 4.18Å; F51-M72 HydrophobicContact CZ-CG 4.29Å; F68-M72 HydrophobicContact CE1-CB 4.47Å; F68-M72 HydrophobicContact CE1-CE 3.89Å; F68-M72 HydrophobicContact CE2-CE 4.06Å; F68-M72 HydrophobicContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact CZ-CE 3.42Å; F68-M72 VanDerWaalsContact O-CB 3.29Å; F68-M72 WeakPolarHBondContact O-CB 3.31Å; F68-M72 PolarHBondContact O-N 2.95Å; K70-M72 VanDerWaalsContact C-N 3.33Å; K70-M72 PolarHBondContact O-N 3.26Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-E74 PolarHBondContact O-N 3.38Å; M72-L75 PolarHBondContact O-N 3.47Å; M72-L75 HydrophobicContact SD-CD1 4.34Å; M72-H76 PolarHBondContact O-CD2 3.29Å; M72-H76 VanDerWaalsContact O-CD2 3.31Å; M72-H76 PolarHBondContact O-N 2.92Å |
| 73 | Y | 88.7 | Confident | 86.5 | Confident | 55 Ų | 55 | 79 Ų | 79 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174 | 176.2 | -120.6 | 0 | 0 | 0 | 112.3 | L37 A69 K70 L75 H76 K77 I85 | L37-Y73 HydrophobicContact CD2-CD2 3.81Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å; A69-Y73 VanDerWaalsContact O-CB 3.24Å; A69-Y73 WeakPolarHBondContact O-CB 3.32Å; A69-Y73 PolarHBondContact O-N 2.96Å; K70-Y73 PolarHBondContact O-N 2.78Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.19Å; Y73-H76 PolarHBondContact O-N 2.89Å; Y73-K77 HydrophobicContact CE1-CD 4.49Å; Y73-K77 VanDerWaalsContact O-CB 3.31Å; Y73-K77 WeakPolarHBondContact O-CB 3.46Å; Y73-K77 PolarHBondContact O-N 3.42Å; Y73-I85 HydrophobicContact CD1-CD1 4.05Å; Y73-I85 HydrophobicContact CD2-CD1 3.96Å; Y73-I85 HydrophobicContact CD2-CG1 3.69Å; Y73-I85 HydrophobicContact CE1-CD1 4.27Å; Y73-I85 HydrophobicContact CE2-CD1 4.22Å; Y73-I85 HydrophobicContact CE2-CG1 3.72Å; Y73-I85 HydrophobicContact CG-CD1 3.86Å; Y73-I85 HydrophobicContact CG-CG1 4.14Å |
| 74 | E | 89.8 | Confident | 87.2 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 176.1 | -164.6 | -170.3 | 149.1 | 0 | 0 | 111.7 | K70 N71 M72 K77 R78 | K70-E74 PolarHBondContact O-N 2.83Å; N71-E74 PolarHBondContact O-N 2.82Å; M72-E74 VanDerWaalsContact C-N 3.34Å; M72-E74 PolarHBondContact O-N 3.38Å; E74-K77 PolarHBondContact O-N 3.19Å; E74-R78 WeakPolarHBondContact O-CG 3.1Å; E74-R78 PolarHBondContact O-N 3.15Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.57Å; E74-R78 IonicContact OE1-NH2 2.77Å; E74-R78 PolarHBondContact OE1-NH2 2.61Å |
| 75 | L | 91 | Very high | 87.6 | Confident | 95 Ų | 95 | 79 Ų | 79 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.3 | -68.9 | 172.4 | 0 | 0 | 0 | 111.6 | N71 M72 Y73 K77 R78 V79 | N71-L75 WeakPolarHBondContact O-CG 3.47Å; N71-L75 PolarHBondContact O-N 2.96Å; M72-L75 PolarHBondContact O-N 3.47Å; M72-L75 HydrophobicContact SD-CD1 4.34Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.42Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.67Å; L75-R78 VanDerWaalsContact O-N 3.17Å; L75-V79 PolarHBondContact O-N 3.33Å |
| 76 | H | 88.1 | Confident | 87.8 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 176 | -88.4 | -86.8 | 0 | 0 | 0 | 112 | L37 N49 M72 Y73 R78 V79 S80 E83 | L37-H76 HydrophobicContact CD1-CB 3.76Å; N49-H76 PolarHBondContact ND2-CE1 2.91Å; N49-H76 PolarHBondContact ND2-ND1 3.15Å; M72-H76 PolarHBondContact O-CD2 3.29Å; M72-H76 VanDerWaalsContact O-CD2 3.31Å; M72-H76 PolarHBondContact O-N 2.92Å; Y73-H76 PolarHBondContact O-N 2.89Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.85Å; H76-V79 PolarHBondContact O-N 3.44Å; H76-V79 VanDerWaalsContact O-N 3.09Å; H76-S80 PolarHBondContact O-N 2.96Å; H76-E83 IonicContact ND1-OE2 2.94Å |
| 77 | K | 88.8 | Confident | 88.4 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -29.6 | 177.1 | -167.7 | 169.9 | -175.5 | 174.6 | 0 | 112.9 | Y73 E74 L75 S80 P81 | Y73-K77 HydrophobicContact CE1-CD 4.49Å; Y73-K77 VanDerWaalsContact O-CB 3.31Å; Y73-K77 WeakPolarHBondContact O-CB 3.46Å; Y73-K77 PolarHBondContact O-N 3.42Å; E74-K77 PolarHBondContact O-N 3.19Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.42Å; K77-S80 CarbonylContact O-C 3.55Å; K77-P81 WeakPolarHBondContact O-CA 3.3Å |
| 78 | R | 90.5 | Very high | 88.6 | Confident | 183 Ų | 183 | 65.5 Ų | 65.5 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70.1 | -35.7 | 171.9 | -70.3 | 179.4 | -171.9 | -165.9 | 4.8 | 112.4 | E74 L75 H76 | E74-R78 WeakPolarHBondContact O-CG 3.1Å; E74-R78 PolarHBondContact O-N 3.15Å; E74-R78 IonicContact OE1-CZ 3.58Å; E74-R78 IonicContact OE1-NE 3.57Å; E74-R78 IonicContact OE1-NH2 2.77Å; E74-R78 PolarHBondContact OE1-NH2 2.61Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.67Å; L75-R78 VanDerWaalsContact O-N 3.17Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.85Å |
| 79 | V | 91 | Very high | 88.8 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 71% | 0.709 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -77.1 | -41.6 | 178 | 178 | 0 | 0 | 0 | 0 | 111.1 | L75 H76 | L75-V79 PolarHBondContact O-N 3.33Å; H76-V79 PolarHBondContact O-N 3.44Å; H76-V79 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 85 | Confident | 89 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | trans | -143.5 | 96 | -175.8 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | H76 K77 T82 E83 | H76-S80 PolarHBondContact O-N 2.96Å; K77-S80 CarbonylContact O-C 3.55Å; S80-T82 PolarHBondContact O-N 3.13Å; S80-E83 PolarHBondContact O-N 3.32Å | ||
| 81 | P | 87.3 | Confident | 88.9 | Confident | 98 Ų | 98 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.6 | -174.7 | 28.9 | -35.5 | 0 | 0 | 0 | 113.8 | K77 | K77-P81 WeakPolarHBondContact O-CA 3.3Š|
| 82 | T | 87.4 | Confident | 88.4 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.3 | 177.7 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | S80 | S80-T82 PolarHBondContact O-N 3.13Š|
| 83 | E | 87.5 | Confident | 87.7 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | trans | -80.4 | 131.2 | -176.8 | -64.1 | -169.1 | 147.5 | 0 | 0 | 111.1 | L37 T48 N49 H76 S80 | L37-E83 HydrophobicContact CB-CB 4.4Å; T48-E83 PolarHBondContact OG1-OE1 3.25Å; N49-E83 WeakPolarHBondContact CB-OE1 3.39Å; H76-E83 IonicContact ND1-OE2 2.94Å; S80-E83 PolarHBondContact O-N 3.32Å | ||
| 84 | V | 89.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 158.4 | 173.2 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | L37 G38 I40 I86 | L37-V84 WeakPolarHBondContact CA-O 3.49Å; G38-V84 PolarHBondContact N-O 3.2Å; G38-V84 VanDerWaalsContact N-O 3.08Å; G38-V84 WeakPolarHBondContact O-CG2 3.27Å; G38-V84 PolarHBondContact O-N 3.07Å; I40-V84 HydrophobicContact CD1-CG2 4.32Å; I40-V84 HydrophobicContact CG1-CG2 4.34Å; V84-I86 PolarHBondContact O-N 3.23Å |
| 85 | I | 89.1 | Confident | 86.3 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 114.2 | 173 | -60.7 | 172.5 | 0 | 0 | 0 | 108.4 | T35 L37 Y73 A110 | T35-I85 HydrophobicContact CG2-CG1 4.28Å; T35-I85 HydrophobicContact CG2-CG2 3.7Å; L37-I85 HydrophobicContact CD2-CG1 3.87Å; Y73-I85 HydrophobicContact CD1-CD1 4.05Å; Y73-I85 HydrophobicContact CD2-CD1 3.96Å; Y73-I85 HydrophobicContact CD2-CG1 3.69Å; Y73-I85 HydrophobicContact CE1-CD1 4.27Å; Y73-I85 HydrophobicContact CE2-CD1 4.22Å; Y73-I85 HydrophobicContact CE2-CG1 3.72Å; Y73-I85 HydrophobicContact CG-CD1 3.86Å; Y73-I85 HydrophobicContact CG-CG1 4.14Å; I85-A110 HydrophobicContact CG2-CB 4.4Å |
| 86 | I | 88.2 | Confident | 85.5 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -28.9 | 178.5 | -69.1 | 170.8 | 0 | 0 | 0 | 110.8 | I36 G38 I40 I45 E46 V47 V84 P113 I114 | I36-I86 HydrophobicContact CD1-CB 4.48Å; I36-I86 HydrophobicContact CD1-CG2 4.14Å; I36-I86 HydrophobicContact CG1-CB 4.38Å; I36-I86 PolarHBondContact O-N 3.4Å; I36-I86 VanDerWaalsContact O-N 3.12Å; G38-I86 VanDerWaalsContact C-CD1 3.41Å; G38-I86 VanDerWaalsContact CA-CD1 3.41Å; I40-I86 HydrophobicContact CD1-CG1 4.38Å; I40-I86 HydrophobicContact CG1-CG1 3.96Å; I45-I86 HydrophobicContact CG2-CB 4.47Å; I45-I86 HydrophobicContact CG2-CD1 3.66Å; I45-I86 HydrophobicContact CG2-CG1 4.17Å; I45-I86 HydrophobicContact CG2-CG2 3.49Å; I45-I86 VanDerWaalsContact CG2-CG2 3.49Å; E46-I86 WeakPolarHBondContact O-CD1 3.33Å; V47-I86 HydrophobicContact CG2-CD1 4.47Å; V84-I86 PolarHBondContact O-N 3.23Å; I86-P113 WeakPolarHBondContact O-CA 3.48Å; I86-I114 HydrophobicContact CG2-CB 4.26Å; I86-I114 HydrophobicContact CG2-CD1 3.49Å; I86-I114 VanDerWaalsContact CG2-CD1 3.49Å; I86-I114 HydrophobicContact CG2-CG1 4.03Å; I86-I114 PolarHBondContact O-N 3.48Å |
| 87 | G | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -146.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T35 I36 I114 | T35-G87 WeakPolarHBondContact CG2-O 3.31Å; I36-G87 WeakPolarHBondContact CG1-O 3.36Å; I36-G87 PolarHBondContact N-O 3.29Å; G87-I114 WeakPolarHBondContact CA-O 3.44Å |
| 88 | W | 91 | Very high | 84.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 155.8 | -173.8 | 67.6 | -75.7 | 0 | 0 | 0 | 111.9 | I33 G34 A90 S99 I102 H103 Y106 I114 H115 L116 | I33-W88 HydrophobicContact CG1-CZ3 4.47Å; I33-W88 HydrophobicContact CG2-CE3 3.98Å; I33-W88 HydrophobicContact CG2-CZ3 4.31Å; G34-W88 CarbonylContact O-C 3.58Å; G34-W88 WeakPolarHBondContact O-CA 3.4Å; G34-W88 VanDerWaalsContact O-CB 3.31Å; G34-W88 WeakPolarHBondContact O-CB 3.47Å; W88-A90 HydrophobicContact CE3-CB 4.31Å; W88-A90 HydrophobicContact CH2-CB 4.39Å; W88-A90 HydrophobicContact CZ3-CB 3.69Å; W88-S99 WeakPolarHBondContact CZ2-O 3.28Å; W88-I102 HydrophobicContact CD2-CG2 3.69Å; W88-I102 HydrophobicContact CE3-CG2 3.69Å; W88-I102 HydrophobicContact CG-CG2 4.38Å; W88-I102 HydrophobicContact CH2-CB 3.77Å; W88-I102 HydrophobicContact CH2-CD1 3.84Å; W88-I102 HydrophobicContact CH2-CG1 4.46Å; W88-I102 HydrophobicContact CH2-CG2 3.73Å; W88-I102 HydrophobicContact CZ2-CB 3.87Å; W88-I102 HydrophobicContact CZ2-CG2 3.77Å; W88-I102 HydrophobicContact CZ3-CB 4.15Å; W88-I102 HydrophobicContact CZ3-CD1 3.89Å; W88-I102 HydrophobicContact CZ3-CG2 3.67Å; W88-H103 HydrophobicContact CZ2-CB 4.24Å; W88-H103 AromaticContact NE1-ND1 3.3Å; W88-H103 PolarHBondContact NE1-ND1 3.36Å; W88-Y106 HydrophobicContact CB-CD1 4.42Å; W88-Y106 HydrophobicContact CB-CD2 3.81Å; W88-Y106 HydrophobicContact CB-CE1 4.21Å; W88-Y106 HydrophobicContact CB-CE2 3.59Å; W88-Y106 HydrophobicContact CB-CG 4.23Å; W88-Y106 AromaticContact CD1-CD2 3.66Å; W88-Y106 AromaticContact CD1-CG 3.91Å; W88-Y106 HydrophobicContact CD2-CD2 4.34Å; W88-Y106 HydrophobicContact CD2-CE2 4.44Å; W88-Y106 AromaticContact CG-CD2 3.68Å; W88-Y106 HydrophobicContact CG-CD2 3.68Å; W88-Y106 AromaticContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CG 4.22Å; W88-I114 PolarHBondContact N-O 3.07Å; W88-I114 VanDerWaalsContact O-O 3.13Å; W88-H115 AromaticContact CD2-ND1 3.49Å; W88-H115 AromaticContact CE2-CE1 3.83Å; W88-H115 AromaticContact CE2-CG 3.9Å; W88-H115 AromaticContact CE2-ND1 3.14Å; W88-H115 AromaticContact CE3-CE1 3.91Å; W88-H115 AromaticContact CE3-ND1 3.71Å; W88-H115 AromaticContact CH2-CE1 3.11Å; W88-H115 WeakPolarHBondContact CH2-CE1 3.28Å; W88-H115 AromaticContact CH2-ND1 3.37Å; W88-H115 WeakPolarHBondContact CH2-ND1 3.33Å; W88-H115 AromaticContact CH2-NE2 4Å; W88-H115 HydrophobicContact CZ2-CB 4.48Å; W88-H115 AromaticContact CZ2-CE1 3.32Å; W88-H115 WeakPolarHBondContact CZ2-CE1 3.3Å; W88-H115 AromaticContact CZ2-CG 3.78Å; W88-H115 AromaticContact CZ2-ND1 3.08Å; W88-H115 WeakPolarHBondContact CZ2-ND1 3.17Å; W88-H115 AromaticContact CZ3-CE1 3.45Å; W88-H115 VanDerWaalsContact CZ3-CE1 3.45Å; W88-H115 WeakPolarHBondContact CZ3-CE1 3.16Å; W88-H115 AromaticContact CZ3-ND1 3.69Å; W88-H115 AromaticContact NE1-ND1 3.76Å; W88-H115 WeakPolarHBondContact O-CA 3.34Å; W88-L116 PolarHBondContact O-N 3.5Å |
| 89 | Y | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 151.6 | 172.9 | 73.8 | -93.7 | 0 | 0 | 0 | 111.1 | I18 V32 I33 G34 I36 C50 S52 L116 | I18-Y89 HydrophobicContact CB-CE2 4.32Å; I18-Y89 HydrophobicContact CD1-CD1 4.25Å; I18-Y89 HydrophobicContact CD1-CD2 4.02Å; I18-Y89 HydrophobicContact CD1-CE2 4.44Å; I18-Y89 HydrophobicContact CD1-CG 3.92Å; I18-Y89 HydrophobicContact CG1-CD1 4.17Å; I18-Y89 HydrophobicContact CG1-CD2 3.84Å; I18-Y89 HydrophobicContact CG1-CE1 4.05Å; I18-Y89 HydrophobicContact CG1-CE2 3.75Å; I18-Y89 HydrophobicContact CG1-CG 4.05Å; I18-Y89 HydrophobicContact CG2-CD2 4.08Å; I18-Y89 HydrophobicContact CG2-CE2 3.95Å; V32-Y89 HydrophobicContact CG1-CE2 4.27Å; I33-Y89 WeakPolarHBondContact CA-O 3.43Å; G34-Y89 PolarHBondContact N-O 3Å; G34-Y89 WeakPolarHBondContact O-CD1 3.5Å; G34-Y89 PolarHBondContact O-N 3.32Å; I36-Y89 HydrophobicContact CG2-CD1 3.72Å; I36-Y89 HydrophobicContact CG2-CG 4.37Å; C50-Y89 HydrophobicContact CB-CD1 4.21Å; C50-Y89 HydrophobicContact CB-CE1 3.91Å; S52-Y89 WeakPolarHBondContact CA-OH 3.26Å; Y89-L116 CarbonylContact C-O 3.54Å; Y89-L116 WeakPolarHBondContact CA-O 3.42Å |
| 90 | A | 89 | Confident | 83.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V32 W88 L116 T117 V118 | V32-A90 WeakPolarHBondContact O-CA 3.42Å; W88-A90 HydrophobicContact CE3-CB 4.31Å; W88-A90 HydrophobicContact CH2-CB 4.39Å; W88-A90 HydrophobicContact CZ3-CB 3.69Å; A90-L116 PolarHBondContact N-O 3.01Å; A90-T117 WeakPolarHBondContact O-CA 3.31Å; A90-V118 PolarHBondContact O-N 2.96Å |
| 91 | T | 85.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 135.2 | 164.7 | 62.2 | 0 | 0 | 0 | 0 | 110 | I18 Y22 R31 V32 V118 T120 | I18-T91 HydrophobicContact CG2-CG2 4.04Å; Y22-T91 HydrophobicContact CD2-CG2 3.84Å; Y22-T91 HydrophobicContact CG-CG2 4.5Å; R31-T91 WeakPolarHBondContact CA-OG1 3.04Å; V32-T91 HydrophobicContact CB-CG2 4.13Å; V32-T91 PolarHBondContact N-OG1 3.42Å; V32-T91 PolarHBondContact O-N 3.5Å; T91-V118 WeakPolarHBondContact CA-O 3.48Å; T91-T120 HydrophobicContact CG2-CG2 4.25Å |
| 92 | G | 80 | Confident | 83.2 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 144.2 | 151.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V118 | G92-V118 PolarHBondContact N-O 2.92Š|
| 93 | F | 73.1 | Confident | 83.1 | Confident | 72 Ų | 72 | 36.8 Ų | 36.8 | 32% | 0.316 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -81.2 | -40.9 | 177.3 | 179.2 | -98.4 | 0 | 0 | 0 | 112.1 | D119 | F93-D119 HydrophobicContact CD2-CB 4.37Š|
| 94 | D | 71.3 | Confident | 82.8 | Confident | 114 Ų | 114 | 41.1 Ų | 41.1 | 61% | 0.61 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -103.5 | 149.3 | -175.1 | -72.3 | -48.1 | 0 | 0 | 0 | 113.1 | T96 | D94-T96 PolarHBondContact O-N 2.91Š|
| 95 | I | 76.4 | Confident | 82.4 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | trans | -81 | 108.9 | 170.7 | -56.9 | 171.8 | 0 | 0 | 0 | 107.2 | Y132 F148 | I95-Y132 HydrophobicContact CD1-CD1 4.36Å; I95-Y132 HydrophobicContact CD1-CD2 4.19Å; I95-Y132 HydrophobicContact CD1-CE1 4.15Å; I95-Y132 HydrophobicContact CD1-CE2 3.91Å; I95-Y132 HydrophobicContact CD1-CG 4.39Å; I95-Y132 HydrophobicContact CG1-CE2 4.25Å; I95-F148 HydrophobicContact CD1-CB 3.85Å; I95-F148 HydrophobicContact CD1-CD2 3.98Å; I95-F148 HydrophobicContact CD1-CG 4.04Å; I95-F148 HydrophobicContact CG2-CD2 3.78Å; I95-F148 HydrophobicContact CG2-CE2 3.72Å | ||
| 96 | T | 75.8 | Confident | 82.1 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | trans | -81.5 | 161.7 | 176 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | R31 D94 H98 S99 | R31-T96 VanDerWaalsContact CZ-OG1 3.28Å; R31-T96 PolarHBondContact NH1-OG1 3.07Å; R31-T96 PolarHBondContact NH2-OG1 2.95Å; D94-T96 PolarHBondContact O-N 2.91Å; T96-H98 PolarHBondContact O-N 3.15Å; T96-S99 WeakPolarHBondContact O-CB 3.38Å; T96-S99 PolarHBondContact O-N 3.37Å; T96-S99 PolarHBondContact O-OG 3.26Å; T96-S99 PolarHBondContact OG1-N 3.19Å; T96-S99 PolarHBondContact OG1-OG 3.44Å; T96-S99 VanDerWaalsContact OG1-OG 3.11Å | ||
| 97 | E | 77.6 | Confident | 81.8 | Confident | 170 Ų | 170 | 44.7 Ų | 44.7 | 79% | 0.794 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.5 | -36.3 | 172.7 | -64.2 | -175.8 | 168.6 | 0 | 0 | 112.3 | S99 V100 | E97-S99 PolarHBondContact O-N 2.97Å; E97-S99 VanDerWaalsContact O-N 3.11Å; E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.42Å |
| 98 | H | 78.9 | Confident | 81.3 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.2 | -28.3 | 172.7 | -56.4 | -48.4 | 0 | 0 | 0 | 113.7 | E57 E59 V62 T96 V100 L101 I102 | E57-H98 IonicContact OE1-CD2 3.17Å; E59-H98 PolarHBondContact O-CE1 3.36Å; E59-H98 VanDerWaalsContact O-CE1 3.29Å; V62-H98 HydrophobicContact CG2-CB 3.65Å; T96-H98 PolarHBondContact O-N 3.15Å; H98-V100 VanDerWaalsContact C-N 3.25Å; H98-V100 PolarHBondContact O-N 3.49Å; H98-L101 PolarHBondContact O-N 3.29Å; H98-I102 WeakPolarHBondContact O-CD1 3.42Å; H98-I102 WeakPolarHBondContact O-CG1 3.5Å; H98-I102 PolarHBondContact O-N 3.46Å |
| 99 | S | 79.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -29.4 | 178 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | R31 W88 T96 E97 H103 | R31-S99 PolarHBondContact NH2-OG 2.97Å; W88-S99 WeakPolarHBondContact CZ2-O 3.28Å; T96-S99 WeakPolarHBondContact O-CB 3.38Å; T96-S99 PolarHBondContact O-N 3.37Å; T96-S99 PolarHBondContact O-OG 3.26Å; T96-S99 PolarHBondContact OG1-N 3.19Å; T96-S99 PolarHBondContact OG1-OG 3.44Å; T96-S99 VanDerWaalsContact OG1-OG 3.11Å; E97-S99 PolarHBondContact O-N 2.97Å; E97-S99 VanDerWaalsContact O-N 3.11Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 2.86Å |
| 100 | V | 81.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | E97 H98 H103 E104 V146 F148 | E97-V100 WeakPolarHBondContact O-CB 3.38Å; E97-V100 PolarHBondContact O-N 3.42Å; H98-V100 VanDerWaalsContact C-N 3.25Å; H98-V100 PolarHBondContact O-N 3.49Å; V100-H103 PolarHBondContact O-N 3.22Å; V100-E104 PolarHBondContact O-N 3.14Å; V100-V146 HydrophobicContact CG1-CB 4.44Å; V100-V146 HydrophobicContact CG1-CG2 4.38Å; V100-F148 HydrophobicContact CG2-CE2 4.24Å |
| 101 | L | 82.1 | Confident | 78.5 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -52.3 | 177.4 | -62.6 | 174.8 | 0 | 0 | 0 | 110.7 | H98 H103 E104 Y105 | H98-L101 PolarHBondContact O-N 3.29Å; L101-H103 PolarHBondContact O-N 3.1Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E104 VanDerWaalsContact O-N 3.17Å; L101-Y105 HydrophobicContact CB-CE2 4.33Å; L101-Y105 WeakPolarHBondContact O-CD2 3.36Å; L101-Y105 PolarHBondContact O-N 3.12Å; L101-Y105 VanDerWaalsContact O-N 3.08Å |
| 102 | I | 83.3 | Confident | 78 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | 177 | -60 | 156.2 | 0 | 0 | 0 | 110.7 | I33 V62 V64 W88 H98 E104 Y105 Y106 | I33-I102 HydrophobicContact CD1-CD1 3.43Å; I33-I102 VanDerWaalsContact CD1-CD1 3.43Å; I33-I102 HydrophobicContact CD1-CG1 4.4Å; I33-I102 HydrophobicContact CG1-CD1 4.39Å; V62-I102 HydrophobicContact CG1-CD1 4.11Å; V62-I102 HydrophobicContact CG1-CG1 4.17Å; V64-I102 HydrophobicContact CG2-CG1 4.41Å; W88-I102 HydrophobicContact CD2-CG2 3.69Å; W88-I102 HydrophobicContact CE3-CG2 3.69Å; W88-I102 HydrophobicContact CG-CG2 4.38Å; W88-I102 HydrophobicContact CH2-CB 3.77Å; W88-I102 HydrophobicContact CH2-CD1 3.84Å; W88-I102 HydrophobicContact CH2-CG1 4.46Å; W88-I102 HydrophobicContact CH2-CG2 3.73Å; W88-I102 HydrophobicContact CZ2-CB 3.87Å; W88-I102 HydrophobicContact CZ2-CG2 3.77Å; W88-I102 HydrophobicContact CZ3-CB 4.15Å; W88-I102 HydrophobicContact CZ3-CD1 3.89Å; W88-I102 HydrophobicContact CZ3-CG2 3.67Å; H98-I102 WeakPolarHBondContact O-CD1 3.42Å; H98-I102 WeakPolarHBondContact O-CG1 3.5Å; H98-I102 PolarHBondContact O-N 3.46Å; I102-E104 PolarHBondContact O-N 3.23Å; I102-Y105 WeakPolarHBondContact O-CB 3.44Å; I102-Y105 PolarHBondContact O-N 3.3Å; I102-Y106 HydrophobicContact CG2-CD2 3.75Å; I102-Y106 HydrophobicContact CG2-CE2 3.76Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.46Å |
| 103 | H | 83.5 | Confident | 78.3 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.028 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | -179.8 | -164.2 | 83 | 0 | 0 | 0 | 113 | W88 S99 V100 L101 Y105 Y106 S107 P113 S134 F148 | W88-H103 HydrophobicContact CZ2-CB 4.24Å; W88-H103 AromaticContact NE1-ND1 3.3Å; W88-H103 PolarHBondContact NE1-ND1 3.36Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 2.86Å; V100-H103 PolarHBondContact O-N 3.22Å; L101-H103 PolarHBondContact O-N 3.1Å; H103-Y105 VanDerWaalsContact C-N 3.31Å; H103-Y105 PolarHBondContact O-N 2.81Å; H103-Y106 PolarHBondContact O-N 3.4Å; H103-S107 WeakPolarHBondContact O-CB 3.49Å; H103-S107 PolarHBondContact O-N 3.16Å; H103-P113 PolarHBondContact CE1-O 3.23Å; H103-P113 VanDerWaalsContact CE1-O 3.31Å; H103-S134 WeakPolarHBondContact NE2-CB 3.35Å; H103-S134 PolarHBondContact NE2-OG 3.48Å; H103-F148 HydrophobicContact CB-CE1 4.37Å; H103-F148 HydrophobicContact CB-CZ 4.08Å; H103-F148 AromaticContact CE1-CE1 4Å; H103-F148 AromaticContact CG-CE1 3.84Å; H103-F148 AromaticContact ND1-CE1 3.68Å |
| 104 | E | 81.8 | Confident | 79 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 172.9 | -162.9 | -167.8 | 138 | 0 | 0 | 111.3 | V100 L101 I102 S107 R108 | V100-E104 PolarHBondContact O-N 3.14Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-E104 VanDerWaalsContact O-N 3.17Å; I102-E104 PolarHBondContact O-N 3.23Å; E104-S107 WeakPolarHBondContact O-CB 3.46Å; E104-S107 PolarHBondContact O-N 3.07Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH2 3.84Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å |
| 105 | Y | 81.7 | Confident | 79.9 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.5 | -70 | -65 | 0 | 0 | 0 | 112 | L101 I102 H103 S107 R108 | L101-Y105 HydrophobicContact CB-CE2 4.33Å; L101-Y105 WeakPolarHBondContact O-CD2 3.36Å; L101-Y105 PolarHBondContact O-N 3.12Å; L101-Y105 VanDerWaalsContact O-N 3.08Å; I102-Y105 WeakPolarHBondContact O-CB 3.44Å; I102-Y105 PolarHBondContact O-N 3.3Å; H103-Y105 VanDerWaalsContact C-N 3.31Å; H103-Y105 PolarHBondContact O-N 2.81Å; Y105-S107 VanDerWaalsContact C-N 3.27Å; Y105-S107 PolarHBondContact O-N 3.49Å; Y105-R108 WeakPolarHBondContact O-CB 3.36Å; Y105-R108 PolarHBondContact O-N 3.12Å |
| 106 | Y | 83.2 | Confident | 80.5 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -25.6 | 177.3 | -82.2 | -79.9 | 0 | 0 | 0 | 113.2 | T35 W88 I102 H103 R108 E109 A110 | T35-Y106 HydrophobicContact CG2-CE1 4.01Å; T35-Y106 PolarHBondContact OG1-OH 3.05Å; W88-Y106 HydrophobicContact CB-CD1 4.42Å; W88-Y106 HydrophobicContact CB-CD2 3.81Å; W88-Y106 HydrophobicContact CB-CE1 4.21Å; W88-Y106 HydrophobicContact CB-CE2 3.59Å; W88-Y106 HydrophobicContact CB-CG 4.23Å; W88-Y106 AromaticContact CD1-CD2 3.66Å; W88-Y106 AromaticContact CD1-CG 3.91Å; W88-Y106 HydrophobicContact CD2-CD2 4.34Å; W88-Y106 HydrophobicContact CD2-CE2 4.44Å; W88-Y106 AromaticContact CG-CD2 3.68Å; W88-Y106 HydrophobicContact CG-CD2 3.68Å; W88-Y106 AromaticContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CE2 3.86Å; W88-Y106 HydrophobicContact CG-CG 4.22Å; I102-Y106 HydrophobicContact CG2-CD2 3.75Å; I102-Y106 HydrophobicContact CG2-CE2 3.76Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.46Å; H103-Y106 PolarHBondContact O-N 3.4Å; Y106-R108 PolarHBondContact O-N 2.93Å; Y106-E109 PolarHBondContact O-N 2.72Å; Y106-A110 PolarHBondContact O-N 3.01Å |
| 107 | S | 80.9 | Confident | 81.1 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68 | -16.9 | 174.4 | -170.8 | 0 | 0 | 0 | 0 | 113.3 | H103 E104 Y105 | H103-S107 WeakPolarHBondContact O-CB 3.49Å; H103-S107 PolarHBondContact O-N 3.16Å; E104-S107 WeakPolarHBondContact O-CB 3.46Å; E104-S107 PolarHBondContact O-N 3.07Å; Y105-S107 VanDerWaalsContact C-N 3.27Å; Y105-S107 PolarHBondContact O-N 3.49Å |
| 108 | R | 80.6 | Confident | 81.5 | Confident | 174 Ų | 174 | 47.5 Ų | 47.5 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -79.8 | -29.8 | 173.1 | -62.9 | 176.1 | -174.1 | -175 | 3.2 | 112.3 | E104 Y105 Y106 | E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE1-CZ 3.31Å; E104-R108 IonicContact OE1-NH2 3.84Å; E104-R108 PolarHBondContact OE1-NH2 2.99Å; Y105-R108 WeakPolarHBondContact O-CB 3.36Å; Y105-R108 PolarHBondContact O-N 3.12Å; Y106-R108 PolarHBondContact O-N 2.93Å |
| 109 | E | 74.6 | Confident | 81.8 | Confident | 104 Ų | 104 | 46 Ų | 46 | 49% | 0.486 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -96.5 | -32.9 | -176.2 | -69.2 | -77.4 | 164.7 | 0 | 0 | 112.3 | K70 Y106 | K70-E109 WeakPolarHBondContact CE-OE1 3.49Å; K70-E109 IonicContact NZ-OE1 3.17Å; K70-E109 PolarHBondContact NZ-OE1 3.01Å; Y106-E109 PolarHBondContact O-N 2.72Å |
| 110 | A | 69.8 | Low | 81.4 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -122.9 | 142.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I85 Y106 N112 | I85-A110 HydrophobicContact CG2-CB 4.4Å; Y106-A110 PolarHBondContact O-N 3.01Å; A110-N112 PolarHBondContact O-N 3.4Å |
| 111 | T | 67.3 | Low | 80.7 | Confident | 128 Ų | 128 | 47.6 Ų | 47.6 | 79% | 0.785 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -80 | 116.6 | 172.6 | -43.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 112 | N | 76.4 | Confident | 79.9 | Confident | 119 Ų | 119 | 48.8 Ų | 48.8 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 57.1 | 67.2 | -175.9 | -58.8 | -28.7 | 0 | 0 | 0 | 114.1 | A110 I114 | A110-N112 PolarHBondContact O-N 3.4Å; N112-I114 PolarHBondContact O-N 3.01Å |
| 113 | P | 85 | Confident | 78.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -62.7 | 137.7 | 179 | 26.3 | -33.7 | 0 | 0 | 0 | 111.5 | I86 H103 | I86-P113 WeakPolarHBondContact O-CA 3.48Å; H103-P113 PolarHBondContact CE1-O 3.23Å; H103-P113 VanDerWaalsContact CE1-O 3.31Å | ||
| 114 | I | 88.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.7 | 171.1 | -59.7 | 173.2 | 0 | 0 | 0 | 109.1 | V8 I36 I45 I86 G87 W88 N112 A131 | V8-I114 HydrophobicContact CG2-CD1 4.02Å; I36-I114 HydrophobicContact CD1-CB 4.35Å; I36-I114 HydrophobicContact CD1-CG2 4.5Å; I45-I114 HydrophobicContact CB-CD1 4.02Å; I45-I114 HydrophobicContact CD1-CD1 3.37Å; I45-I114 HydrophobicContact CD1-CG1 4.26Å; I45-I114 HydrophobicContact CG1-CD1 4.24Å; I45-I114 HydrophobicContact CG2-CD1 3.68Å; I86-I114 HydrophobicContact CG2-CB 4.26Å; I86-I114 HydrophobicContact CG2-CD1 3.49Å; I86-I114 VanDerWaalsContact CG2-CD1 3.49Å; I86-I114 HydrophobicContact CG2-CG1 4.03Å; I86-I114 PolarHBondContact O-N 3.48Å; G87-I114 WeakPolarHBondContact CA-O 3.44Å; W88-I114 PolarHBondContact N-O 3.07Å; W88-I114 VanDerWaalsContact O-O 3.13Å; N112-I114 PolarHBondContact O-N 3.01Å; I114-A131 HydrophobicContact CG2-CB 4.14Å |
| 115 | H | 89.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.5 | 170.9 | 179.3 | 50.7 | 0 | 0 | 0 | 109.8 | W88 T117 A131 Y132 F148 | W88-H115 AromaticContact CD2-ND1 3.49Å; W88-H115 AromaticContact CE2-CE1 3.83Å; W88-H115 AromaticContact CE2-CG 3.9Å; W88-H115 AromaticContact CE2-ND1 3.14Å; W88-H115 AromaticContact CE3-CE1 3.91Å; W88-H115 AromaticContact CE3-ND1 3.71Å; W88-H115 AromaticContact CH2-CE1 3.11Å; W88-H115 WeakPolarHBondContact CH2-CE1 3.28Å; W88-H115 AromaticContact CH2-ND1 3.37Å; W88-H115 WeakPolarHBondContact CH2-ND1 3.33Å; W88-H115 AromaticContact CH2-NE2 4Å; W88-H115 HydrophobicContact CZ2-CB 4.48Å; W88-H115 AromaticContact CZ2-CE1 3.32Å; W88-H115 WeakPolarHBondContact CZ2-CE1 3.3Å; W88-H115 AromaticContact CZ2-CG 3.78Å; W88-H115 AromaticContact CZ2-ND1 3.08Å; W88-H115 WeakPolarHBondContact CZ2-ND1 3.17Å; W88-H115 AromaticContact CZ3-CE1 3.45Å; W88-H115 VanDerWaalsContact CZ3-CE1 3.45Å; W88-H115 WeakPolarHBondContact CZ3-CE1 3.16Å; W88-H115 AromaticContact CZ3-ND1 3.69Å; W88-H115 AromaticContact NE1-ND1 3.76Å; W88-H115 WeakPolarHBondContact O-CA 3.34Å; H115-T117 VanDerWaalsContact NE2-CG2 3.27Å; H115-T117 WeakPolarHBondContact NE2-CG2 3.41Å; H115-A131 CarbonylContact O-C 3.53Å; H115-Y132 AromaticContact CD2-CD2 3.98Å; H115-Y132 PolarHBondContact N-O 2.91Å; H115-Y132 PolarHBondContact O-N 2.93Å; H115-F148 HydrophobicContact CB-CD1 4.46Å; H115-F148 HydrophobicContact CB-CE1 4.15Å |
| 116 | L | 89.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.3 | 178.1 | -169.6 | 157.6 | 0 | 0 | 0 | 109.7 | I10 I18 W88 Y89 A90 V118 I129 | I10-L116 HydrophobicContact CD1-CD1 3.58Å; I10-L116 HydrophobicContact CG1-CD1 4.41Å; I18-L116 HydrophobicContact CD1-CD2 4.27Å; W88-L116 PolarHBondContact O-N 3.5Å; Y89-L116 CarbonylContact C-O 3.54Å; Y89-L116 WeakPolarHBondContact CA-O 3.42Å; A90-L116 PolarHBondContact N-O 3.01Å; L116-V118 HydrophobicContact CD2-CG2 3.25Å; L116-I129 HydrophobicContact CD2-CG2 4.03Å; L116-I129 HydrophobicContact CG-CG2 4.35Å |
| 117 | T | 88.8 | Confident | 75.9 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.5 | 174.8 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | A90 H115 I129 R130 Y132 | A90-T117 WeakPolarHBondContact O-CA 3.31Å; H115-T117 VanDerWaalsContact NE2-CG2 3.27Å; H115-T117 WeakPolarHBondContact NE2-CG2 3.41Å; T117-I129 WeakPolarHBondContact O-CA 3.33Å; T117-R130 PolarHBondContact N-O 2.69Å; T117-R130 PolarHBondContact O-N 2.95Å; T117-R130 PolarHBondContact OG1-O 3.44Å; T117-R130 VanDerWaalsContact OG1-O 3.1Å; T117-Y132 HydrophobicContact CG2-CD2 4.1Å; T117-Y132 HydrophobicContact CG2-CE2 3.71Å; T117-Y132 VanDerWaalsContact OG1-CE2 3.26Å; T117-Y132 WeakPolarHBondContact OG1-CE2 3.42Å |
| 118 | V | 86.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | I18 A90 T91 G92 L116 T120 M127 | I18-V118 HydrophobicContact CD1-CG2 3.96Å; I18-V118 HydrophobicContact CG2-CB 4.24Å; I18-V118 HydrophobicContact CG2-CG1 4.32Å; I18-V118 HydrophobicContact CG2-CG2 4.04Å; A90-V118 PolarHBondContact O-N 2.96Å; T91-V118 WeakPolarHBondContact CA-O 3.48Å; G92-V118 PolarHBondContact N-O 2.92Å; L116-V118 HydrophobicContact CD2-CG2 3.25Å; V118-T120 HydrophobicContact CG1-CG2 4.32Å; V118-T120 PolarHBondContact O-N 3.49Å; V118-M127 HydrophobicContact CG1-CE 3.14Å; V118-M127 HydrophobicContact CG1-CG 4.43Å |
| 119 | D | 84.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | trans | -78.9 | 109.7 | 174.2 | 178.7 | 15.7 | 0 | 0 | 0 | 110.3 | F93 A121 M127 N128 | F93-D119 HydrophobicContact CD2-CB 4.37Å; D119-A121 PolarHBondContact OD1-N 3.23Å; D119-M127 WeakPolarHBondContact O-CG 3.21Å; D119-N128 HydrophobicContact CB-CB 3.95Å; D119-N128 PolarHBondContact N-O 3.05Å | ||
| 120 | T | 71.8 | Confident | 76.7 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | trans | -98.8 | -9.1 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | Y22 T91 V118 L122 | Y22-T120 HydrophobicContact CD1-CG2 3.93Å; Y22-T120 HydrophobicContact CD2-CG2 3.98Å; Y22-T120 HydrophobicContact CE1-CG2 4.07Å; Y22-T120 HydrophobicContact CE2-CG2 4.1Å; Y22-T120 VanDerWaalsContact CE2-OG1 3.29Å; Y22-T120 WeakPolarHBondContact CE2-OG1 3.49Å; Y22-T120 HydrophobicContact CG-CG2 3.88Å; Y22-T120 PolarHBondContact OH-OG1 3.41Å; T91-T120 HydrophobicContact CG2-CG2 4.25Å; V118-T120 HydrophobicContact CG1-CG2 4.32Å; V118-T120 PolarHBondContact O-N 3.49Å; T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 VanDerWaalsContact O-CD1 3.3Å; T120-L122 WeakPolarHBondContact O-CD1 3.48Å; T120-L122 PolarHBondContact O-N 2.88Å | ||
| 121 | A | 66.7 | Low | 77.6 | Confident | 60 Ų | 60 | 54 Ų | 54 | 50% | 0.496 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -80.2 | -10.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D119 Q123 | D119-A121 PolarHBondContact OD1-N 3.23Å; A121-Q123 HydrophobicContact CB-CG 4.11Å; A121-Q123 PolarHBondContact O-N 2.95Å |
| 122 | L | 65.6 | Low | 78.5 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | trans | 47.7 | 29.9 | 176.7 | -85 | 84.7 | 0 | 0 | 0 | 113.6 | T120 S124 G125 | T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 VanDerWaalsContact O-CD1 3.3Å; T120-L122 WeakPolarHBondContact O-CD1 3.48Å; T120-L122 PolarHBondContact O-N 2.88Å; L122-S124 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact O-N 3.1Å; L122-G125 PolarHBondContact O-N 2.9Å | ||
| 123 | Q | 60.4 | Low | 79 | Confident | 159 Ų | 159 | 44.6 Ų | 44.6 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -27.5 | -177.1 | -68.9 | -174.4 | -2.7 | 0 | 0 | 112.3 | A121 | A121-Q123 HydrophobicContact CB-CG 4.11Å; A121-Q123 PolarHBondContact O-N 2.95Å |
| 124 | S | 60.1 | Low | 78.8 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 54% | 0.538 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.7 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 114.3 | L122 K126 | L122-S124 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact O-N 3.1Å; S124-K126 PolarHBondContact O-N 3.43Å; S124-K126 PolarHBondContact OG-O 3.4Å |
| 125 | G | 64.2 | Low | 78.4 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 62% | 0.619 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 72.1 | 0.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L122 | L122-G125 PolarHBondContact O-N 2.9Š|
| 126 | K | 71.1 | Confident | 77.5 | Confident | 163 Ų | 163 | 54.5 Ų | 54.5 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -136.4 | 146.3 | 175.3 | -65.1 | -178.8 | -177.4 | 176.6 | 0 | 109.9 | S124 N128 | S124-K126 PolarHBondContact O-N 3.43Å; S124-K126 PolarHBondContact OG-O 3.4Å; K126-N128 PolarHBondContact O-N 3.4Å |
| 127 | M | 73.3 | Confident | 76.2 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | trans | -67.6 | 120.3 | 170.9 | -172.3 | 174.8 | -178.1 | 0 | 0 | 108.7 | V118 D119 I129 | V118-M127 HydrophobicContact CG1-CE 3.14Å; V118-M127 HydrophobicContact CG1-CG 4.43Å; D119-M127 WeakPolarHBondContact O-CG 3.21Å; M127-I129 HydrophobicContact CE-CD1 4.39Å; M127-I129 HydrophobicContact CG-CG1 4.46Å | ||
| 128 | N | 80.1 | Confident | 74.8 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -102.1 | 131 | 179.8 | -156 | -11.8 | 0 | 0 | 0 | 109.6 | D119 K126 R130 | D119-N128 HydrophobicContact CB-CB 3.95Å; D119-N128 PolarHBondContact N-O 3.05Å; K126-N128 PolarHBondContact O-N 3.4Å; N128-R130 PolarHBondContact ND2-NE 2.82Å; N128-R130 PolarHBondContact ND2-NH2 3.3Å; N128-R130 VanDerWaalsContact ND2-NH2 3.11Å | ||
| 129 | I | 84.8 | Confident | 73.6 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.8 | -178.8 | -52.7 | -172.1 | 0 | 0 | 0 | 107.2 | I10 L15 L116 T117 M127 Y155 | I10-I129 HydrophobicContact CD1-CG2 4.11Å; L15-I129 HydrophobicContact CD1-CD1 3.77Å; L15-I129 HydrophobicContact CD2-CD1 3.34Å; L15-I129 HydrophobicContact CG-CD1 4.18Å; L116-I129 HydrophobicContact CD2-CG2 4.03Å; L116-I129 HydrophobicContact CG-CG2 4.35Å; T117-I129 WeakPolarHBondContact O-CA 3.33Å; M127-I129 HydrophobicContact CE-CD1 4.39Å; M127-I129 HydrophobicContact CG-CG1 4.46Å; I129-Y155 HydrophobicContact CD1-CE1 4.45Å; I129-Y155 WeakPolarHBondContact CD1-OH 3.4Å |
| 130 | R | 87.4 | Confident | 72.3 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.7 | -179.2 | -56.7 | 176.8 | -175.4 | 171.3 | 5.7 | 108.8 | T117 N128 Y132 | T117-R130 PolarHBondContact N-O 2.69Å; T117-R130 PolarHBondContact O-N 2.95Å; T117-R130 PolarHBondContact OG1-O 3.44Å; T117-R130 VanDerWaalsContact OG1-O 3.1Å; N128-R130 PolarHBondContact ND2-NE 2.82Å; N128-R130 PolarHBondContact ND2-NH2 3.3Å; N128-R130 VanDerWaalsContact ND2-NH2 3.11Å; R130-Y132 HydrophobicContact CB-CE1 4.48Å; R130-Y132 HydrophobicContact CB-CE2 3.82Å; R130-Y132 WeakPolarHBondContact CD-OH 3.36Å |
| 131 | A | 88.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V8 I114 H115 L151 V153 | V8-A131 HydrophobicContact CB-CB 4.26Å; V8-A131 HydrophobicContact CG1-CB 4.47Å; V8-A131 HydrophobicContact CG2-CB 3.9Å; I114-A131 HydrophobicContact CG2-CB 4.14Å; H115-A131 CarbonylContact O-C 3.53Å; A131-L151 HydrophobicContact CB-CB 4.2Å; A131-L151 PolarHBondContact O-N 3.48Å; A131-V153 HydrophobicContact CB-CG2 3.57Å |
| 132 | Y | 87.8 | Confident | 71.7 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 7% | 0.071 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.3 | 177.9 | -57.1 | -80.2 | 0 | 0 | 0 | 109.9 | I95 H115 T117 R130 F148 T149 P150 | I95-Y132 HydrophobicContact CD1-CD1 4.36Å; I95-Y132 HydrophobicContact CD1-CD2 4.19Å; I95-Y132 HydrophobicContact CD1-CE1 4.15Å; I95-Y132 HydrophobicContact CD1-CE2 3.91Å; I95-Y132 HydrophobicContact CD1-CG 4.39Å; I95-Y132 HydrophobicContact CG1-CE2 4.25Å; H115-Y132 AromaticContact CD2-CD2 3.98Å; H115-Y132 PolarHBondContact N-O 2.91Å; H115-Y132 PolarHBondContact O-N 2.93Å; T117-Y132 HydrophobicContact CG2-CD2 4.1Å; T117-Y132 HydrophobicContact CG2-CE2 3.71Å; T117-Y132 VanDerWaalsContact OG1-CE2 3.26Å; T117-Y132 WeakPolarHBondContact OG1-CE2 3.42Å; R130-Y132 HydrophobicContact CB-CE1 4.48Å; R130-Y132 HydrophobicContact CB-CE2 3.82Å; R130-Y132 WeakPolarHBondContact CD-OH 3.36Å; Y132-F148 HydrophobicContact CD1-CB 4.06Å; Y132-F148 HydrophobicContact CG-CB 4.12Å; Y132-T149 WeakPolarHBondContact CA-O 3.46Å; Y132-P150 HydrophobicContact CD1-CB 4.05Å; Y132-P150 HydrophobicContact CE1-CB 4.01Å |
| 133 | V | 86.3 | Confident | 71.2 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.8 | 166.2 | 65 | 0 | 0 | 0 | 0 | 108.7 | T149 L151 | V133-T149 PolarHBondContact N-O 2.95Å; V133-T149 PolarHBondContact O-N 3.34Å; V133-L151 HydrophobicContact CB-CD1 4Å; V133-L151 HydrophobicContact CB-CG 4.31Å; V133-L151 HydrophobicContact CG1-CD1 4.24Å; V133-L151 HydrophobicContact CG1-CD2 3.96Å; V133-L151 HydrophobicContact CG1-CG 4.08Å |
| 134 | S | 81.3 | Confident | 71.3 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 15% | 0.154 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.4 | 172.9 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | H103 | H103-S134 WeakPolarHBondContact NE2-CB 3.35Å; H103-S134 PolarHBondContact NE2-OG 3.48Å |
| 135 | A | 77.9 | Confident | 71.6 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 117.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | M137 M147 | A135-M137 PolarHBondContact O-N 2.98Å; A135-M147 PolarHBondContact N-O 3.24Å; A135-M147 PolarHBondContact O-N 2.9Å |
| 136 | Q | 70.9 | Confident | 72 | Confident | 147 Ų | 147 | 79 Ų | 79 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 120 | 169.4 | -66.8 | -175.5 | 1 | 0 | 0 | 107.8 | V144 | Q136-V144 HydrophobicContact CB-CG1 4.46Å |
| 137 | M | 63.4 | Low | 72.3 | Confident | 142 Ų | 142 | 76.9 Ų | 76.9 | 70% | 0.7 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107.4 | 176.8 | -171.2 | 174 | 161.4 | 0 | 0 | 107.7 | A135 G145 | A135-M137 PolarHBondContact O-N 2.98Å; M137-G145 CarbonylContact C-O 3.59Å; M137-G145 PolarHBondContact N-O 3.24Å; M137-G145 PolarHBondContact O-N 3.34Å; M137-G145 VanDerWaalsContact O-N 3.1Å; M137-G145 VanDerWaalsContact O-O 3.05Å |
| 138 | G | 58.7 | Low | 72.7 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | trans | -145.8 | 143.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 139 | V | 61.6 | Low | 72.9 | Confident | 109 Ų | 109 | 75 Ų | 75 | 66% | 0.661 | 45% | 0.445 | S | S | * | . | trans | -83.9 | 135.2 | 166.4 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | G141 K142 | V139-G141 PolarHBondContact O-N 2.93Å; V139-K142 PolarHBondContact O-N 3.29Å | ||
| 140 | P | 56.7 | Low | 73 | Confident | 134 Ų | 134 | 78.6 Ų | 78.6 | 87% | 0.87 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 114.2 | 175.1 | -22.6 | 31.3 | 0 | 0 | 0 | 110.5 | ||
| 141 | G | 60.4 | Low | 72.9 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 88% | 0.876 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | 4.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | V139 | V139-G141 PolarHBondContact O-N 2.93Š|
| 142 | K | 64.9 | Low | 72.7 | Confident | 174 Ų | 174 | 79.1 Ų | 79.1 | 76% | 0.757 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -133.7 | 173.7 | 170.4 | -85.7 | -174.2 | 178.7 | -179.2 | 0 | 111.8 | V139 V144 | V139-K142 PolarHBondContact O-N 3.29Å; K142-V144 PolarHBondContact O-N 3.48Å |
| 143 | T | 56.2 | Low | 72.7 | Confident | 136 Ų | 136 | 80 Ų | 80 | 83% | 0.834 | 49% | 0.493 | S | S | * | . | trans | -42.3 | 117.8 | 179.6 | -44.3 | 0 | 0 | 0 | 0 | 111.5 | G145 | T143-G145 PolarHBondContact O-N 3.33Š| ||
| 144 | V | 63 | Low | 72.8 | Confident | 91 Ų | 91 | 84.6 Ų | 84.6 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | trans | -77 | 113.1 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | Q136 K142 | Q136-V144 HydrophobicContact CB-CG1 4.46Å; K142-V144 PolarHBondContact O-N 3.48Å | ||
| 145 | G | 64.8 | Low | 73.2 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M137 T143 | M137-G145 CarbonylContact C-O 3.59Å; M137-G145 PolarHBondContact N-O 3.24Å; M137-G145 PolarHBondContact O-N 3.34Å; M137-G145 VanDerWaalsContact O-N 3.1Å; M137-G145 VanDerWaalsContact O-O 3.05Å; T143-G145 PolarHBondContact O-N 3.33Å |
| 146 | V | 73.1 | Confident | 73.7 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 32% | 0.315 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.7 | 169.1 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | V100 | V100-V146 HydrophobicContact CG1-CB 4.44Å; V100-V146 HydrophobicContact CG1-CG2 4.38Å |
| 147 | M | 77.8 | Confident | 74.3 | Confident | 117 Ų | 117 | 86.9 Ų | 86.9 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.8 | 173.9 | -171 | 176.2 | -179 | 0 | 0 | 109.8 | A135 | A135-M147 PolarHBondContact N-O 3.24Å; A135-M147 PolarHBondContact O-N 2.9Å |
| 148 | F | 81.9 | Confident | 75.4 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 11% | 0.11 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 110.9 | 173.9 | -71.1 | -74.8 | 0 | 0 | 0 | 109.9 | I95 V100 H103 H115 Y132 | I95-F148 HydrophobicContact CD1-CB 3.85Å; I95-F148 HydrophobicContact CD1-CD2 3.98Å; I95-F148 HydrophobicContact CD1-CG 4.04Å; I95-F148 HydrophobicContact CG2-CD2 3.78Å; I95-F148 HydrophobicContact CG2-CE2 3.72Å; V100-F148 HydrophobicContact CG2-CE2 4.24Å; H103-F148 HydrophobicContact CB-CE1 4.37Å; H103-F148 HydrophobicContact CB-CZ 4.08Å; H103-F148 AromaticContact CE1-CE1 4Å; H103-F148 AromaticContact CG-CE1 3.84Å; H103-F148 AromaticContact ND1-CE1 3.68Å; H115-F148 HydrophobicContact CB-CD1 4.46Å; H115-F148 HydrophobicContact CB-CE1 4.15Å; Y132-F148 HydrophobicContact CD1-CB 4.06Å; Y132-F148 HydrophobicContact CG-CB 4.12Å |
| 149 | T | 84.6 | Confident | 76.7 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 37% | 0.368 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.1 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | Y132 V133 | Y132-T149 WeakPolarHBondContact CA-O 3.46Å; V133-T149 PolarHBondContact N-O 2.95Å; V133-T149 PolarHBondContact O-N 3.34Å |
| 150 | P | 85.3 | Confident | 78 | Confident | 91 Ų | 91 | 90.1 Ų | 90.1 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 138.8 | 179.7 | 27.9 | -33.9 | 0 | 0 | 0 | 111.4 | Y132 | Y132-P150 HydrophobicContact CD1-CB 4.05Å; Y132-P150 HydrophobicContact CE1-CB 4.01Å |
| 151 | L | 85.8 | Confident | 79.4 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 10% | 0.099 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 152.6 | 174.6 | -65.9 | 179.9 | 0 | 0 | 0 | 111 | P6 V8 A131 V133 V153 | P6-L151 HydrophobicContact CG-CD1 4.28Å; V8-L151 HydrophobicContact CG2-CB 4.17Å; V8-L151 HydrophobicContact CG2-CD1 3.78Å; A131-L151 HydrophobicContact CB-CB 4.2Å; A131-L151 PolarHBondContact O-N 3.48Å; V133-L151 HydrophobicContact CB-CD1 4Å; V133-L151 HydrophobicContact CB-CG 4.31Å; V133-L151 HydrophobicContact CG1-CD1 4.24Å; V133-L151 HydrophobicContact CG1-CD2 3.96Å; V133-L151 HydrophobicContact CG1-CG 4.08Å; L151-V153 PolarHBondContact O-N 2.86Å |
| 152 | S | 84.9 | Confident | 80.7 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | trans | -76.2 | 120.4 | 173.5 | -66.4 | 0 | 0 | 0 | 0 | 110.3 | V8 | V8-S152 PolarHBondContact N-O 3.36Å; V8-S152 VanDerWaalsContact N-O 3.1Å | ||
| 153 | V | 87.3 | Confident | 81.7 | Confident | 37 Ų | 37 | 86.9 Ų | 86.9 | 22% | 0.224 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 132.7 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | V8 I10 A131 L151 Y155 | V8-V153 CarbonylContact O-C 3.39Å; V8-V153 WeakPolarHBondContact O-CA 3.35Å; I10-V153 HydrophobicContact CD1-CG1 3.35Å; I10-V153 HydrophobicContact CD1-CG2 4.43Å; I10-V153 HydrophobicContact CG1-CG1 3.98Å; A131-V153 HydrophobicContact CB-CG2 3.57Å; L151-V153 PolarHBondContact O-N 2.86Å; V153-Y155 HydrophobicContact CG1-CE1 4.47Å |
| 154 | K | 89.4 | Confident | 83.1 | Confident | 125 Ų | 125 | 82 Ų | 82 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.5 | 171.4 | -64.8 | -172.3 | -177 | 179.3 | 0 | 109.4 | V7 V8 K9 I10 | V7-K154 HydrophobicContact CG1-CB 4.45Å; V7-K154 HydrophobicContact CG1-CD 3.84Å; V7-K154 HydrophobicContact CG1-CG 3.97Å; V8-K154 PolarHBondContact O-N 3.44Å; K9-K154 CarbonylContact C-O 3.57Å; K9-K154 VanDerWaalsContact CA-O 3.27Å; K9-K154 WeakPolarHBondContact CA-O 3.5Å; I10-K154 PolarHBondContact N-O 3.45Å |
| 155 | Y | 88.6 | Confident | 84.2 | Confident | 98 Ų | 98 | 79.9 Ų | 79.9 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.8 | 172 | -56.2 | -64.9 | 0 | 0 | 0 | 109.9 | I10 L15 I129 V153 Y157 | I10-Y155 HydrophobicContact CB-CD1 4.29Å; I10-Y155 WeakPolarHBondContact O-CA 3.48Å; L15-Y155 HydrophobicContact CD1-CD1 4.32Å; L15-Y155 HydrophobicContact CD1-CE1 3.74Å; I129-Y155 HydrophobicContact CD1-CE1 4.45Å; I129-Y155 WeakPolarHBondContact CD1-OH 3.4Å; V153-Y155 HydrophobicContact CG1-CE1 4.47Å; Y155-Y157 VanDerWaalsContact CB-OH 3.27Å; Y155-Y157 WeakPolarHBondContact CB-OH 3.29Å |
| 156 | I | 88.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | trans | -116.5 | 149 | 169.1 | -65.1 | -165.4 | 0 | 0 | 0 | 107.5 | K9 I10 P12 | K9-I156 HydrophobicContact CB-CD1 3.63Å; K9-I156 HydrophobicContact CB-CG1 3.9Å; K9-I156 HydrophobicContact CD-CD1 3.33Å; K9-I156 HydrophobicContact CD-CG1 4.42Å; K9-I156 HydrophobicContact CG-CD1 3.4Å; K9-I156 VanDerWaalsContact CG-CD1 3.4Å; K9-I156 HydrophobicContact CG-CG1 4Å; I10-I156 PolarHBondContact O-N 3.13Å; P12-I156 VanDerWaalsContact CD-O 3.23Å; P12-I156 WeakPolarHBondContact CD-O 3.27Å | ||
| 157 | Y | 83.6 | Confident | 85.6 | Confident | 111 Ų | 111 | 80.5 Ų | 80.5 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | trans | -134.3 | 138.3 | -178.4 | -50.7 | -93.6 | 0 | 0 | 0 | 107.3 | P12 Y155 | P12-Y157 HydrophobicContact CG-CD1 3.3Å; P12-Y157 HydrophobicContact CG-CE1 3.25Å; P12-Y157 HydrophobicContact CG-CG 4.45Å; Y155-Y157 VanDerWaalsContact CB-OH 3.27Å; Y155-Y157 WeakPolarHBondContact CB-OH 3.29Å | ||
| 158 | Y | 87.3 | Confident | 85.9 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | trans | -74.8 | 154.9 | 158.1 | -65.1 | -66.3 | 0 | 0 | 0 | 110.1 | H11 E46 T160 E161 R162 | H11-Y158 AromaticContact CE1-CD2 3.67Å; H11-Y158 AromaticContact CE1-CE2 3.21Å; H11-Y158 WeakPolarHBondContact CE1-CE2 3.41Å; H11-Y158 AromaticContact CE1-CZ 3.55Å; H11-Y158 AromaticContact ND1-CD2 3.82Å; H11-Y158 AromaticContact ND1-CE2 3.68Å; H11-Y158 AromaticContact NE2-CE2 3.88Å; E46-Y158 PolarHBondContact OE1-OH 3.41Å; Y158-T160 VanDerWaalsContact C-N 3.25Å; Y158-T160 PolarHBondContact O-N 3.2Å; Y158-E161 PolarHBondContact O-N 2.7Å; Y158-E161 VanDerWaalsContact O-N 3.13Å; Y158-R162 PolarHBondContact O-N 3.4Å | ||
| 159 | D | 85.2 | Confident | 86 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.1 | -38.7 | -179.4 | -71.9 | -43.8 | 0 | 0 | 0 | 112.2 | R162 I163 | D159-R162 WeakPolarHBondContact O-CB 3.27Å; D159-R162 PolarHBondContact O-N 3.28Å; D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 3.43Å |
| 160 | T | 88.6 | Confident | 85.7 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 70% | 0.699 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | Y158 R162 I163 G164 | Y158-T160 VanDerWaalsContact C-N 3.25Å; Y158-T160 PolarHBondContact O-N 3.2Å; T160-R162 VanDerWaalsContact C-N 3.33Å; T160-I163 PolarHBondContact O-N 2.95Å; T160-G164 PolarHBondContact O-N 3.31Å; T160-G164 VanDerWaalsContact O-N 3.08Å |
| 161 | E | 87.1 | Confident | 85.3 | Confident | 35 Ų | 35 | 83.3 Ų | 83.3 | 16% | 0.164 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.2 | -171.3 | 178.1 | -163.3 | 0 | 0 | 111 | H11 P12 V13 Y158 I163 G164 V165 | H11-E161 IonicContact ND1-OE2 2.74Å; H11-E161 PolarHBondContact ND1-OE2 2.93Å; P12-E161 VanDerWaalsContact CB-OE1 3.29Å; P12-E161 WeakPolarHBondContact CB-OE1 3.31Å; P12-E161 WeakPolarHBondContact CD-OE1 3.44Å; P12-E161 HydrophobicContact CG-CG 4.38Å; P12-E161 WeakPolarHBondContact CG-OE1 3.5Å; V13-E161 PolarHBondContact N-OE1 3.44Å; Y158-E161 PolarHBondContact O-N 2.7Å; Y158-E161 VanDerWaalsContact O-N 3.13Å; E161-I163 VanDerWaalsContact C-N 3.29Å; E161-I163 PolarHBondContact O-N 2.94Å; E161-G164 PolarHBondContact O-N 3.35Å; E161-G164 VanDerWaalsContact O-N 3.15Å; E161-V165 HydrophobicContact CG-CG2 4.13Å; E161-V165 WeakPolarHBondContact O-CB 3.29Å; E161-V165 VanDerWaalsContact O-CG2 3.27Å; E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 2.9Å |
| 162 | R | 87 | Confident | 84.9 | Confident | 167 Ų | 167 | 93.2 Ų | 93.2 | 63% | 0.63 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58 | -42.5 | 175.4 | -166.6 | -176 | 99.1 | 171.6 | 4.8 | 111.7 | Y158 D159 T160 D166 | Y158-R162 PolarHBondContact O-N 3.4Å; D159-R162 WeakPolarHBondContact O-CB 3.27Å; D159-R162 PolarHBondContact O-N 3.28Å; T160-R162 VanDerWaalsContact C-N 3.33Å; R162-D166 WeakPolarHBondContact O-CB 3.38Å; R162-D166 PolarHBondContact O-N 3.37Å |
| 163 | I | 86.2 | Confident | 84.3 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.5 | -44.9 | 177 | -63.1 | 163.8 | 0 | 0 | 0 | 110.2 | D159 T160 E161 D166 L167 | D159-I163 WeakPolarHBondContact O-CG1 3.41Å; D159-I163 PolarHBondContact O-N 3.43Å; T160-I163 PolarHBondContact O-N 2.95Å; E161-I163 VanDerWaalsContact C-N 3.29Å; E161-I163 PolarHBondContact O-N 2.94Å; I163-D166 PolarHBondContact O-N 2.89Å; I163-L167 PolarHBondContact O-N 2.92Å |
| 164 | G | 85.5 | Confident | 83.5 | Confident | 33 Ų | 33 | 95.4 Ų | 95.4 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T160 E161 L167 L168 | T160-G164 PolarHBondContact O-N 3.31Å; T160-G164 VanDerWaalsContact O-N 3.08Å; E161-G164 PolarHBondContact O-N 3.35Å; E161-G164 VanDerWaalsContact O-N 3.15Å; G164-L167 PolarHBondContact O-N 2.9Å; G164-L168 VanDerWaalsContact O-CG 3.31Å; G164-L168 WeakPolarHBondContact O-CG 3.49Å; G164-L168 PolarHBondContact O-N 3.24Å |
| 165 | V | 87 | Confident | 82.5 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | P12 E161 L167 L168 Q169 | P12-V165 HydrophobicContact CB-CG2 4.04Å; P12-V165 HydrophobicContact CG-CG2 4.23Å; E161-V165 HydrophobicContact CG-CG2 4.13Å; E161-V165 WeakPolarHBondContact O-CB 3.29Å; E161-V165 VanDerWaalsContact O-CG2 3.27Å; E161-V165 WeakPolarHBondContact O-CG2 3.43Å; E161-V165 PolarHBondContact O-N 2.9Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 3.06Å; V165-L168 PolarHBondContact O-N 3.42Å; V165-Q169 VanDerWaalsContact O-CB 3.31Å; V165-Q169 WeakPolarHBondContact O-CB 3.33Å; V165-Q169 PolarHBondContact O-N 2.93Å |
| 166 | D | 84.4 | Confident | 81.6 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 174.9 | -175.7 | 87.8 | 0 | 0 | 0 | 111.1 | R162 I163 Q169 R170 R194 | R162-D166 WeakPolarHBondContact O-CB 3.38Å; R162-D166 PolarHBondContact O-N 3.37Å; I163-D166 PolarHBondContact O-N 2.89Å; D166-Q169 PolarHBondContact O-N 3.45Å; D166-R170 WeakPolarHBondContact O-CG 3.36Å; D166-R170 PolarHBondContact O-N 3.36Å; D166-R170 IonicContact OD2-CZ 3.23Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 2.93Å; D166-R170 PolarHBondContact OD2-NE 3.11Å; D166-R170 IonicContact OD2-NH2 2.72Å; D166-R170 PolarHBondContact OD2-NH2 3.33Å; D166-R194 IonicContact OD1-NH1 3.58Å |
| 167 | L | 82.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 29% | 0.293 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.7 | -174.8 | 64.2 | 0 | 0 | 0 | 111.8 | I163 G164 V165 Q169 R170 L181 | I163-L167 PolarHBondContact O-N 2.92Å; G164-L167 PolarHBondContact O-N 2.9Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 3.06Å; L167-Q169 VanDerWaalsContact C-N 3.32Å; L167-Q169 PolarHBondContact O-N 2.92Å; L167-R170 WeakPolarHBondContact O-CB 3.27Å; L167-R170 PolarHBondContact O-N 3.27Å; L167-L181 HydrophobicContact CD2-CD2 4.35Å |
| 168 | L | 83.8 | Confident | 79.9 | Confident | 124 Ų | 124 | 102.2 Ų | 102.2 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -36.8 | 177 | -70.5 | 172.1 | 0 | 0 | 0 | 112.1 | G164 V165 R170 T171 | G164-L168 VanDerWaalsContact O-CG 3.31Å; G164-L168 WeakPolarHBondContact O-CG 3.49Å; G164-L168 PolarHBondContact O-N 3.24Å; V165-L168 PolarHBondContact O-N 3.42Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.13Å; L168-T171 VanDerWaalsContact O-CB 3.26Å; L168-T171 WeakPolarHBondContact O-CB 3.49Å; L168-T171 PolarHBondContact O-N 2.89Å |
| 169 | Q | 83.4 | Confident | 79 | Confident | 131 Ų | 131 | 100.7 Ų | 100.7 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -34.7 | 177 | -174 | 175.3 | -4.9 | 0 | 0 | 111.7 | V165 D166 L167 T171 R172 | V165-Q169 VanDerWaalsContact O-CB 3.31Å; V165-Q169 WeakPolarHBondContact O-CB 3.33Å; V165-Q169 PolarHBondContact O-N 2.93Å; D166-Q169 PolarHBondContact O-N 3.45Å; L167-Q169 VanDerWaalsContact C-N 3.32Å; L167-Q169 PolarHBondContact O-N 2.92Å; Q169-T171 PolarHBondContact O-N 3.12Å; Q169-R172 WeakPolarHBondContact O-CB 3.45Å; Q169-R172 PolarHBondContact O-N 2.95Å |
| 170 | R | 77.9 | Confident | 78.2 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -23.8 | 175.1 | -65 | 169.4 | -167.6 | -151.6 | 4.4 | 112.7 | D166 L167 L168 R172 V173 | D166-R170 WeakPolarHBondContact O-CG 3.36Å; D166-R170 PolarHBondContact O-N 3.36Å; D166-R170 IonicContact OD2-CZ 3.23Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 2.93Å; D166-R170 PolarHBondContact OD2-NE 3.11Å; D166-R170 IonicContact OD2-NH2 2.72Å; D166-R170 PolarHBondContact OD2-NH2 3.33Å; L167-R170 WeakPolarHBondContact O-CB 3.27Å; L167-R170 PolarHBondContact O-N 3.27Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.13Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 3.46Å; R170-V173 PolarHBondContact O-N 3.34Å |
| 171 | T | 77.9 | Confident | 77.6 | Confident | 27 Ų | 27 | 99.6 Ų | 99.6 | 17% | 0.166 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -70.2 | -24.6 | 177 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | L168 Q169 V173 T174 R177 K179 | L168-T171 VanDerWaalsContact O-CB 3.26Å; L168-T171 WeakPolarHBondContact O-CB 3.49Å; L168-T171 PolarHBondContact O-N 2.89Å; Q169-T171 PolarHBondContact O-N 3.12Å; T171-V173 PolarHBondContact O-N 2.93Å; T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 VanDerWaalsContact O-N 3.17Å; T171-R177 VanDerWaalsContact CG2-C 3.41Å; T171-R177 WeakPolarHBondContact CG2-O 3.37Å; T171-K179 HydrophobicContact CG2-CB 4.29Å |
| 172 | R | 75.7 | Confident | 77.1 | Confident | 226 Ų | 226 | 99.7 Ų | 99.7 | 85% | 0.853 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.5 | 177.5 | -173.3 | 177.8 | 171 | 179.8 | -1.3 | 113.1 | Q169 R170 T174 | Q169-R172 WeakPolarHBondContact O-CB 3.45Å; Q169-R172 PolarHBondContact O-N 2.95Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 3.46Å; R172-T174 VanDerWaalsContact C-N 3.34Å |
| 173 | V | 72.4 | Confident | 77 | Confident | 129 Ų | 129 | 95.7 Ų | 95.7 | 78% | 0.782 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -23.4 | -178.8 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | R170 T171 | R170-V173 PolarHBondContact O-N 3.34Å; T171-V173 PolarHBondContact O-N 2.93Å |
| 174 | T | 72.1 | Confident | 76.9 | Confident | 39 Ų | 39 | 95.7 Ų | 95.7 | 24% | 0.239 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -82.1 | 128.4 | -178.5 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | T171 R172 S176 R177 | T171-T174 PolarHBondContact O-N 3.39Å; T171-T174 VanDerWaalsContact O-N 3.17Å; R172-T174 VanDerWaalsContact C-N 3.34Å; T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.23Å; T174-R177 PolarHBondContact O-N 3.22Å |
| 175 | P | 67.1 | Low | 77 | Confident | 134 Ų | 134 | 100.6 Ų | 100.6 | 87% | 0.87 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.8 | -177.4 | 23.6 | -33.7 | 0 | 0 | 0 | 113.4 | R177 | P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.44Å |
| 176 | S | 69.3 | Low | 76.9 | Confident | 85 Ų | 85 | 101 Ų | 101 | 59% | 0.594 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.5 | 178.9 | -166.3 | 0 | 0 | 0 | 0 | 113.7 | T174 T178 | T174-S176 VanDerWaalsContact C-N 3.25Å; T174-S176 PolarHBondContact O-N 3.23Å; S176-T178 WeakPolarHBondContact CB-OG1 3.37Å; S176-T178 PolarHBondContact O-N 3.31Å; S176-T178 PolarHBondContact O-OG1 3.38Å; S176-T178 PolarHBondContact OG-OG1 2.91Å |
| 177 | R | 69.2 | Low | 76.9 | Confident | 212 Ų | 212 | 101.7 Ų | 101.7 | 80% | 0.8 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 46.8 | 20.3 | -173.4 | -63.3 | -174.2 | 178.5 | 179.8 | 1.2 | 115 | T171 T174 P175 | T171-R177 VanDerWaalsContact CG2-C 3.41Å; T171-R177 WeakPolarHBondContact CG2-O 3.37Å; T174-R177 PolarHBondContact O-N 3.22Å; P175-R177 VanDerWaalsContact C-N 3.27Å; P175-R177 PolarHBondContact O-N 3.44Å |
| 178 | T | 68 | Low | 77.2 | Confident | 96 Ų | 96 | 103.6 Ų | 103.6 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | trans | -129 | 116 | -178.5 | 37.4 | 0 | 0 | 0 | 0 | 105.4 | S176 | S176-T178 WeakPolarHBondContact CB-OG1 3.37Å; S176-T178 PolarHBondContact O-N 3.31Å; S176-T178 PolarHBondContact O-OG1 3.38Å; S176-T178 PolarHBondContact OG-OG1 2.91Å | ||
| 179 | K | 68.1 | Low | 77.5 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 39% | 0.391 | 55% | 0.547 | S | S | . | . | trans | -127.4 | 115.1 | 173.9 | -163 | 171.1 | -175.8 | 173.3 | 0 | 106.1 | T171 T182 | T171-K179 HydrophobicContact CG2-CB 4.29Å; K179-T182 HydrophobicContact CG-CG2 4.5Å | ||
| 180 | G | 69.6 | Low | 77.6 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 62% | 0.619 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 165.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T182 | G180-T182 PolarHBondContact O-N 3.49Å; G180-T182 VanDerWaalsContact O-N 3.12Å |
| 181 | L | 74.4 | Confident | 78.1 | Confident | 162 Ų | 162 | 94.9 Ų | 94.9 | 85% | 0.848 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 119.9 | 170.3 | -66.6 | 171.9 | 0 | 0 | 0 | 108.5 | L167 | L167-L181 HydrophobicContact CD2-CD2 4.35Š|
| 182 | T | 76.8 | Confident | 78.8 | Confident | 37 Ų | 37 | 96.2 Ų | 96.2 | 23% | 0.227 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -81.8 | 143.9 | 178.7 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | K179 G180 S186 Q187 | K179-T182 HydrophobicContact CG-CG2 4.5Å; G180-T182 PolarHBondContact O-N 3.49Å; G180-T182 VanDerWaalsContact O-N 3.12Å; T182-S186 WeakPolarHBondContact CB-OG 3.43Å; T182-Q187 WeakPolarHBondContact OG1-CG 3.27Å; T182-Q187 PolarHBondContact OG1-NE2 3.3Å |
| 183 | S | 84.4 | Confident | 79.6 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 142.2 | 170.8 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | L185 S186 Q187 | S183-L185 PolarHBondContact O-N 3.37Å; S183-L185 PolarHBondContact OG-N 2.83Å; S183-S186 PolarHBondContact N-OG 3.15Å; S183-S186 WeakPolarHBondContact O-CA 3.27Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.44Å; S183-S186 PolarHBondContact O-OG 2.79Å; S183-Q187 PolarHBondContact O-N 3.35Å; S183-Q187 VanDerWaalsContact O-N 3.08Å |
| 184 | D | 85.4 | Confident | 80.5 | Confident | 123 Ų | 123 | 88.7 Ų | 88.7 | 66% | 0.658 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -52.6 | -40.8 | 178.8 | -58.2 | -31.4 | 0 | 0 | 0 | 112.1 | S186 Q187 V188 | D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; D184-Q187 WeakPolarHBondContact O-CB 3.08Å; D184-Q187 PolarHBondContact O-N 3.26Å; D184-Q187 VanDerWaalsContact O-N 3.08Å; D184-V188 WeakPolarHBondContact O-CG2 3.26Å; D184-V188 PolarHBondContact O-N 3.12Å |
| 185 | L | 86.9 | Confident | 81.4 | Confident | 136 Ų | 136 | 91.6 Ų | 91.6 | 71% | 0.712 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 178.3 | -175.8 | 61.1 | 0 | 0 | 0 | 112.2 | S183 Q187 V188 G189 | S183-L185 PolarHBondContact O-N 3.37Å; S183-L185 PolarHBondContact OG-N 2.83Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-V188 PolarHBondContact O-N 3.13Å; L185-G189 PolarHBondContact O-N 2.97Å |
| 186 | S | 85.7 | Confident | 82.8 | Confident | 54 Ų | 54 | 91.2 Ų | 91.2 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.8 | -30.5 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | T182 S183 D184 S190 | T182-S186 WeakPolarHBondContact CB-OG 3.43Å; S183-S186 PolarHBondContact N-OG 3.15Å; S183-S186 WeakPolarHBondContact O-CA 3.27Å; S183-S186 WeakPolarHBondContact O-CB 3.44Å; S183-S186 PolarHBondContact O-N 3.44Å; S183-S186 PolarHBondContact O-OG 2.79Å; D184-S186 VanDerWaalsContact C-N 3.31Å; D184-S186 PolarHBondContact O-N 2.94Å; S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 PolarHBondContact O-OG 2.89Å |
| 187 | Q | 84.2 | Confident | 84 | Confident | 62 Ų | 62 | 91.6 Ų | 91.6 | 29% | 0.29 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 172.7 | -64.5 | -175 | -3.1 | 0 | 0 | 111.2 | T182 S183 D184 L185 S190 A191 | T182-Q187 WeakPolarHBondContact OG1-CG 3.27Å; T182-Q187 PolarHBondContact OG1-NE2 3.3Å; S183-Q187 PolarHBondContact O-N 3.35Å; S183-Q187 VanDerWaalsContact O-N 3.08Å; D184-Q187 WeakPolarHBondContact O-CB 3.08Å; D184-Q187 PolarHBondContact O-N 3.26Å; D184-Q187 VanDerWaalsContact O-N 3.08Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-S190 PolarHBondContact O-N 3.41Å; Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.9Å |
| 188 | V | 88.8 | Confident | 85.1 | Confident | 96 Ų | 96 | 87 Ų | 87 | 58% | 0.582 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | D184 L185 S190 A191 A192 | D184-V188 WeakPolarHBondContact O-CG2 3.26Å; D184-V188 PolarHBondContact O-N 3.12Å; L185-V188 PolarHBondContact O-N 3.13Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.42Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.46Å; V188-A191 VanDerWaalsContact O-N 3.15Å; V188-A192 PolarHBondContact O-N 3.37Å |
| 189 | G | 90.3 | Very high | 86.3 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L185 A191 A192 S193 | L185-G189 PolarHBondContact O-N 2.97Å; G189-A191 PolarHBondContact O-N 3.23Å; G189-A192 PolarHBondContact O-N 3.21Å; G189-S193 PolarHBondContact O-N 3.03Å |
| 190 | S | 85.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | S186 Q187 V188 S193 R194 | S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 2.89Å; S186-S190 PolarHBondContact O-OG 2.89Å; Q187-S190 PolarHBondContact O-N 3.41Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 3.42Å; S190-S193 PolarHBondContact O-N 3.13Å; S190-R194 PolarHBondContact O-N 2.95Å |
| 191 | A | 88.1 | Confident | 88.7 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q187 V188 G189 R194 I195 | Q187-A191 WeakPolarHBondContact O-CB 3.23Å; Q187-A191 PolarHBondContact O-N 2.9Å; V188-A191 WeakPolarHBondContact O-CB 3.37Å; V188-A191 PolarHBondContact O-N 3.46Å; V188-A191 VanDerWaalsContact O-N 3.15Å; G189-A191 PolarHBondContact O-N 3.23Å; A191-R194 PolarHBondContact O-N 3.37Å; A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.1Å |
| 192 | A | 92.9 | Very high | 89.5 | Confident | 54 Ų | 54 | 83 Ų | 83 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V188 G189 R194 I195 Q196 | V188-A192 PolarHBondContact O-N 3.37Å; G189-A192 PolarHBondContact O-N 3.21Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.08Å; A192-I195 PolarHBondContact O-N 3.23Å; A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 PolarHBondContact O-N 3.04Å |
| 193 | S | 92.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 86 Ų | 86 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 173.9 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | G189 S190 I195 Q196 D197 | G189-S193 PolarHBondContact O-N 3.03Å; S190-S193 PolarHBondContact O-N 3.13Å; S193-I195 PolarHBondContact O-N 2.92Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.15Å; S193-D197 VanDerWaalsContact O-CG 3.31Å; S193-D197 PolarHBondContact O-N 2.81Å |
| 194 | R | 90.3 | Very high | 90.5 | Very high | 142 Ų | 142 | 84.3 Ų | 84.3 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.8 | -178.3 | 179.3 | 174.9 | 176.1 | 0.4 | 112.1 | D166 S190 A191 A192 Q196 D197 M198 | D166-R194 IonicContact OD1-NH1 3.58Å; S190-R194 PolarHBondContact O-N 2.95Å; A191-R194 PolarHBondContact O-N 3.37Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.08Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; R194-D197 PolarHBondContact O-N 2.97Å; R194-M198 HydrophobicContact CG-SD 4.44Å; R194-M198 VanDerWaalsContact O-CG 3.3Å; R194-M198 WeakPolarHBondContact O-CG 3.33Å; R194-M198 PolarHBondContact O-N 3.23Å |
| 195 | I | 92.9 | Very high | 90.7 | Very high | 100 Ų | 100 | 81.8 Ų | 81.8 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -41 | 175.6 | -68.2 | 167.3 | 0 | 0 | 0 | 110.2 | A191 A192 S193 M198 L199 | A191-I195 WeakPolarHBondContact O-CG1 3.39Å; A191-I195 PolarHBondContact O-N 3.1Å; A192-I195 PolarHBondContact O-N 3.23Å; S193-I195 PolarHBondContact O-N 2.92Å; I195-M198 PolarHBondContact O-N 2.81Å; I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CB 3.12Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 3.02Å |
| 196 | Q | 94.9 | Very high | 90.8 | Very high | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 175.5 | -177.4 | 179.5 | -6.9 | 0 | 0 | 111.9 | A192 S193 R194 L199 T200 | A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 PolarHBondContact O-N 3.04Å; S193-Q196 WeakPolarHBondContact O-CB 3.47Å; S193-Q196 PolarHBondContact O-N 3.15Å; R194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-L199 PolarHBondContact O-N 2.86Å; Q196-T200 WeakPolarHBondContact O-CB 3.38Å; Q196-T200 PolarHBondContact O-N 3.05Å; Q196-T200 PolarHBondContact O-OG1 3.49Å |
| 197 | D | 95.2 | Very high | 91 | Very high | 94 Ų | 94 | 82.5 Ų | 82.5 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.6 | -66.9 | -24 | 0 | 0 | 0 | 111.7 | S193 R194 T200 T201 | S193-D197 VanDerWaalsContact O-CG 3.31Å; S193-D197 PolarHBondContact O-N 2.81Å; R194-D197 PolarHBondContact O-N 2.97Å; D197-T200 PolarHBondContact O-N 3.06Å; D197-T201 PolarHBondContact O-N 3.36Å; D197-T201 PolarHBondContact O-OG1 3.26Å |
| 198 | M | 92.3 | Very high | 91.2 | Very high | 116 Ų | 116 | 82.2 Ų | 82.2 | 57% | 0.571 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 175.3 | -72.9 | 179.3 | 65 | 0 | 0 | 111.6 | R194 I195 T200 T201 V202 | R194-M198 HydrophobicContact CG-SD 4.44Å; R194-M198 VanDerWaalsContact O-CG 3.3Å; R194-M198 WeakPolarHBondContact O-CG 3.33Å; R194-M198 PolarHBondContact O-N 3.23Å; I195-M198 PolarHBondContact O-N 2.81Å; M198-T200 VanDerWaalsContact C-N 3.35Å; M198-T201 WeakPolarHBondContact O-CB 3.19Å; M198-T201 PolarHBondContact O-N 3.5Å; M198-V202 WeakPolarHBondContact O-CG2 3.45Å; M198-V202 PolarHBondContact O-N 3.02Å |
| 199 | L | 92.4 | Very high | 91.2 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.7 | -76.5 | 170.5 | 0 | 0 | 0 | 111.5 | I195 Q196 T201 V202 L203 | I195-L199 HydrophobicContact CG2-CD1 3.94Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CB 3.12Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 3.02Å; Q196-L199 PolarHBondContact O-N 2.86Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.92Å; L199-V202 PolarHBondContact O-N 3.16Å; L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.97Å |
| 200 | T | 95.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 84.7 Ų | 84.7 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | Q196 D197 M198 L203 A204 | Q196-T200 WeakPolarHBondContact O-CB 3.38Å; Q196-T200 PolarHBondContact O-N 3.05Å; Q196-T200 PolarHBondContact O-OG1 3.49Å; D197-T200 PolarHBondContact O-N 3.06Å; M198-T200 VanDerWaalsContact C-N 3.35Å; T200-L203 PolarHBondContact O-N 3.49Å; T200-A204 WeakPolarHBondContact O-CB 3.11Å; T200-A204 PolarHBondContact O-N 3.28Å |
| 201 | T | 92.8 | Very high | 91.2 | Very high | 100 Ų | 100 | 85.1 Ų | 85.1 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | D197 M198 L199 Y205 | D197-T201 PolarHBondContact O-N 3.36Å; D197-T201 PolarHBondContact O-OG1 3.26Å; M198-T201 WeakPolarHBondContact O-CB 3.19Å; M198-T201 PolarHBondContact O-N 3.5Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.92Å; T201-Y205 PolarHBondContact O-N 3.36Å; T201-Y205 VanDerWaalsContact O-N 3.07Å |
| 202 | V | 90.8 | Very high | 91 | Very high | 52 Ų | 52 | 86.1 Ų | 86.1 | 32% | 0.315 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | M198 L199 Y205 I206 L224 | M198-V202 WeakPolarHBondContact O-CG2 3.45Å; M198-V202 PolarHBondContact O-N 3.02Å; L199-V202 PolarHBondContact O-N 3.16Å; V202-Y205 WeakPolarHBondContact O-CB 3.08Å; V202-Y205 PolarHBondContact O-N 2.75Å; V202-I206 HydrophobicContact CG1-CD1 3.86Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.93Å; V202-L224 HydrophobicContact CG1-CD2 3.47Å; V202-L224 VanDerWaalsContact CG1-CD2 3.47Å |
| 203 | L | 91 | Very high | 90.5 | Very high | 100 Ų | 100 | 91 Ų | 91 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.6 | -72.4 | 171.8 | 0 | 0 | 0 | 111.4 | L199 T200 Y205 I206 E207 | L199-L203 WeakPolarHBondContact O-CB 3.14Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 2.97Å; T200-L203 PolarHBondContact O-N 3.49Å; L203-Y205 VanDerWaalsContact C-N 3.3Å; L203-Y205 PolarHBondContact O-N 3.4Å; L203-I206 PolarHBondContact O-N 3.43Å; L203-I206 VanDerWaalsContact O-N 3.12Å; L203-E207 PolarHBondContact O-N 2.79Å |
| 204 | A | 92.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 91.1 Ų | 91.1 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T200 I206 E207 D208 | T200-A204 WeakPolarHBondContact O-CB 3.11Å; T200-A204 PolarHBondContact O-N 3.28Å; A204-I206 PolarHBondContact O-N 3.13Å; A204-E207 PolarHBondContact O-N 3.14Å; A204-D208 PolarHBondContact O-N 2.94Å |
| 205 | Y | 89.7 | Confident | 89.3 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 28% | 0.278 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.8 | 176.2 | -100.6 | 0 | 0 | 0 | 112.4 | T201 V202 L203 D208 V209 V214 V220 | T201-Y205 PolarHBondContact O-N 3.36Å; T201-Y205 VanDerWaalsContact O-N 3.07Å; V202-Y205 WeakPolarHBondContact O-CB 3.08Å; V202-Y205 PolarHBondContact O-N 2.75Å; L203-Y205 VanDerWaalsContact C-N 3.3Å; L203-Y205 PolarHBondContact O-N 3.4Å; Y205-D208 PolarHBondContact O-N 3.31Å; Y205-V209 HydrophobicContact CD1-CG2 4.34Å; Y205-V209 HydrophobicContact CD2-CG2 4.4Å; Y205-V209 HydrophobicContact CE1-CG2 3.91Å; Y205-V209 HydrophobicContact CE2-CG2 3.99Å; Y205-V209 VanDerWaalsContact O-CG2 3.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.4Å; Y205-V214 HydrophobicContact CE2-CG1 4.05Å; Y205-V220 HydrophobicContact CD1-CG1 4.33Å; Y205-V220 HydrophobicContact CE1-CB 4.33Å; Y205-V220 HydrophobicContact CE1-CG1 3.69Å |
| 206 | I | 87.9 | Confident | 88.6 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.8 | -67 | 163.5 | 0 | 0 | 0 | 110.8 | V202 L203 A204 V209 L210 L224 | V202-I206 HydrophobicContact CG1-CD1 3.86Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.93Å; L203-I206 PolarHBondContact O-N 3.43Å; L203-I206 VanDerWaalsContact O-N 3.12Å; A204-I206 PolarHBondContact O-N 3.13Å; I206-V209 PolarHBondContact O-N 2.75Å; I206-L210 VanDerWaalsContact O-CB 3.27Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 2.79Å; I206-L224 HydrophobicContact CD1-CD1 4.1Å; I206-L224 HydrophobicContact CG1-CD1 4.09Å |
| 207 | E | 89.9 | Confident | 88.1 | Confident | 135 Ų | 135 | 86.8 Ų | 86.8 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 176.7 | -72.3 | 179.6 | -178.4 | 0 | 0 | 112.5 | L203 A204 L210 S211 | L203-E207 PolarHBondContact O-N 2.79Å; A204-E207 PolarHBondContact O-N 3.14Å; E207-L210 PolarHBondContact O-N 3.1Å; E207-S211 WeakPolarHBondContact O-CB 3.48Å; E207-S211 PolarHBondContact O-N 2.75Å; E207-S211 PolarHBondContact O-OG 3.29Å |
| 208 | D | 89.6 | Confident | 87.7 | Confident | 56 Ų | 56 | 89 Ų | 89 | 30% | 0.299 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70 | -33.3 | 177.6 | -81.7 | -24.4 | 0 | 0 | 0 | 112.9 | A204 Y205 S211 G212 K213 V214 | A204-D208 PolarHBondContact O-N 2.94Å; Y205-D208 PolarHBondContact O-N 3.31Å; D208-S211 WeakPolarHBondContact CA-OG 3.44Å; D208-S211 PolarHBondContact O-OG 3.47Å; D208-G212 PolarHBondContact O-N 2.87Å; D208-K213 PolarHBondContact O-N 2.89Å; D208-K213 IonicContact OD1-NZ 2.93Å; D208-K213 PolarHBondContact OD1-NZ 2.8Å; D208-V214 HydrophobicContact CB-CG2 4.08Å; D208-V214 PolarHBondContact O-N 2.91Å |
| 209 | V | 89.2 | Confident | 87.5 | Confident | 38 Ų | 38 | 86.2 Ų | 86.2 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 171.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | Y205 I206 G212 V214 A216 | Y205-V209 HydrophobicContact CD1-CG2 4.34Å; Y205-V209 HydrophobicContact CD2-CG2 4.4Å; Y205-V209 HydrophobicContact CE1-CG2 3.91Å; Y205-V209 HydrophobicContact CE2-CG2 3.99Å; Y205-V209 VanDerWaalsContact O-CG2 3.31Å; Y205-V209 WeakPolarHBondContact O-CG2 3.4Å; Y205-V209 PolarHBondContact O-N 3.4Å; I206-V209 PolarHBondContact O-N 2.75Å; V209-G212 PolarHBondContact O-N 3.11Å; V209-G212 VanDerWaalsContact O-N 3.08Å; V209-V214 HydrophobicContact CG2-CB 4.17Å; V209-V214 HydrophobicContact CG2-CG1 4.3Å; V209-A216 HydrophobicContact CG1-CB 3.74Å |
| 210 | L | 87 | Confident | 87.2 | Confident | 151 Ų | 151 | 84.1 Ų | 84.1 | 79% | 0.791 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.8 | -33 | -179.1 | -162.8 | 138 | 0 | 0 | 0 | 112.3 | I206 E207 G212 | I206-L210 VanDerWaalsContact O-CB 3.27Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 2.79Å; E207-L210 PolarHBondContact O-N 3.1Å; L210-G212 PolarHBondContact O-N 2.91Å |
| 211 | S | 88.5 | Confident | 86.8 | Confident | 70 Ų | 70 | 82.1 Ų | 82.1 | 49% | 0.49 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.3 | 171.3 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | E207 D208 K213 | E207-S211 WeakPolarHBondContact O-CB 3.48Å; E207-S211 PolarHBondContact O-N 2.75Å; E207-S211 PolarHBondContact O-OG 3.29Å; D208-S211 WeakPolarHBondContact CA-OG 3.44Å; D208-S211 PolarHBondContact O-OG 3.47Å; S211-K213 VanDerWaalsContact C-N 3.32Å; S211-K213 PolarHBondContact O-N 3.31Å |
| 212 | G | 84.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 87 Ų | 87 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 12.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D208 V209 L210 | D208-G212 PolarHBondContact O-N 2.87Å; V209-G212 PolarHBondContact O-N 3.11Å; V209-G212 VanDerWaalsContact O-N 3.08Å; L210-G212 PolarHBondContact O-N 2.91Å |
| 213 | K | 81.4 | Confident | 86.6 | Confident | 156 Ų | 156 | 91.7 Ų | 91.7 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -75 | -29.3 | 177.3 | -64.5 | -178 | -157.5 | 151.3 | 0 | 112.7 | D208 S211 | D208-K213 PolarHBondContact O-N 2.89Å; D208-K213 IonicContact OD1-NZ 2.93Å; D208-K213 PolarHBondContact OD1-NZ 2.8Å; S211-K213 VanDerWaalsContact C-N 3.32Å; S211-K213 PolarHBondContact O-N 3.31Å |
| 214 | V | 79.7 | Confident | 86.4 | Confident | 60 Ų | 60 | 88.9 Ų | 88.9 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -122.3 | 136.8 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | Y205 D208 V209 A216 | Y205-V214 HydrophobicContact CE2-CG1 4.05Å; D208-V214 HydrophobicContact CB-CG2 4.08Å; D208-V214 PolarHBondContact O-N 2.91Å; V209-V214 HydrophobicContact CG2-CB 4.17Å; V209-V214 HydrophobicContact CG2-CG1 4.3Å; V214-A216 PolarHBondContact O-N 2.83Å |
| 215 | T | 78.6 | Confident | 86.3 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 77% | 0.773 | 51% | 0.506 | S | S | * | . | trans | -64.9 | 127.2 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | D217 | T215-D217 PolarHBondContact O-N 3.42Š| ||
| 216 | A | 76.7 | Confident | 86.4 | Confident | 69 Ų | 69 | 93 Ų | 93 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | trans | -62.2 | 119 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V209 V214 | V209-A216 HydrophobicContact CG1-CB 3.74Å; V214-A216 PolarHBondContact O-N 2.83Å | ||
| 217 | D | 85.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 94.4 Ų | 94.4 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | trans | -90.6 | 115 | 169.1 | -171.4 | -20.2 | 0 | 0 | 0 | 110.2 | T215 S219 V220 G221 | T215-D217 PolarHBondContact O-N 3.42Å; D217-S219 PolarHBondContact O-N 3.07Å; D217-S219 WeakPolarHBondContact OD1-CB 3.31Å; D217-S219 PolarHBondContact OD1-N 2.74Å; D217-S219 PolarHBondContact OD1-OG 2.96Å; D217-S219 PolarHBondContact OD2-OG 3.36Å; D217-V220 HydrophobicContact CB-CB 4.41Å; D217-V220 HydrophobicContact CB-CG2 4.08Å; D217-V220 PolarHBondContact O-N 3.2Å; D217-G221 PolarHBondContact O-N 3.03Å; D217-G221 VanDerWaalsContact O-N 3.13Å | ||
| 218 | N | 85.4 | Confident | 86.3 | Confident | 142 Ų | 142 | 92.9 Ų | 92.9 | 76% | 0.759 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -25.3 | 179.7 | -74.5 | -6.9 | 0 | 0 | 0 | 113.2 | R222 | N218-R222 PolarHBondContact O-N 2.9Å; N218-R222 VanDerWaalsContact O-N 3.07Å |
| 219 | S | 89.1 | Confident | 86.3 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 111 | D217 R222 F223 | D217-S219 PolarHBondContact O-N 3.07Å; D217-S219 WeakPolarHBondContact OD1-CB 3.31Å; D217-S219 PolarHBondContact OD1-N 2.74Å; D217-S219 PolarHBondContact OD1-OG 2.96Å; D217-S219 PolarHBondContact OD2-OG 3.36Å; S219-R222 PolarHBondContact O-N 2.79Å; S219-F223 WeakPolarHBondContact O-CD2 3.18Å; S219-F223 PolarHBondContact O-N 2.84Å; S219-F223 VanDerWaalsContact O-N 3.07Å |
| 220 | V | 86.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 100.4 Ų | 100.4 | 28% | 0.279 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | Y205 D217 R222 F223 L224 | Y205-V220 HydrophobicContact CD1-CG1 4.33Å; Y205-V220 HydrophobicContact CE1-CB 4.33Å; Y205-V220 HydrophobicContact CE1-CG1 3.69Å; D217-V220 HydrophobicContact CB-CB 4.41Å; D217-V220 HydrophobicContact CB-CG2 4.08Å; D217-V220 PolarHBondContact O-N 3.2Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 2.9Å; V220-F223 PolarHBondContact O-N 3.22Å; V220-F223 VanDerWaalsContact O-N 3.15Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CG 4.34Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.29Å |
| 221 | G | 86.3 | Confident | 86.3 | Confident | 39 Ų | 39 | 98 Ų | 98 | 40% | 0.402 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D217 L224 M225 | D217-G221 PolarHBondContact O-N 3.03Å; D217-G221 VanDerWaalsContact O-N 3.13Å; G221-L224 PolarHBondContact O-N 2.92Å; G221-M225 PolarHBondContact O-N 3.3Å |
| 222 | R | 90 | Very high | 86.1 | Confident | 204 Ų | 204 | 99.2 Ų | 99.2 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | 176.1 | -170.3 | 172.7 | -178.3 | 158 | 0.6 | 112.5 | N218 S219 V220 L224 M225 D226 | N218-R222 PolarHBondContact O-N 2.9Å; N218-R222 VanDerWaalsContact O-N 3.07Å; S219-R222 PolarHBondContact O-N 2.79Å; V220-R222 VanDerWaalsContact C-N 3.28Å; V220-R222 PolarHBondContact O-N 2.9Å; R222-L224 VanDerWaalsContact C-N 3.35Å; R222-M225 PolarHBondContact O-N 2.83Å; R222-D226 PolarHBondContact O-N 2.86Å |
| 223 | F | 89.9 | Confident | 85.9 | Confident | 149 Ų | 149 | 103.3 Ų | 103.3 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 175.4 | -71.5 | -56.5 | 0 | 0 | 0 | 112.4 | S219 V220 D226 L227 | S219-F223 WeakPolarHBondContact O-CD2 3.18Å; S219-F223 PolarHBondContact O-N 2.84Å; S219-F223 VanDerWaalsContact O-N 3.07Å; V220-F223 PolarHBondContact O-N 3.22Å; V220-F223 VanDerWaalsContact O-N 3.15Å; F223-D226 PolarHBondContact O-N 3.07Å; F223-L227 WeakPolarHBondContact O-CB 3.43Å; F223-L227 PolarHBondContact O-N 3.35Å |
| 224 | L | 87.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 100.3 Ų | 100.3 | 22% | 0.215 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -65.5 | -41.1 | 175.3 | -68.7 | 173.4 | 0 | 0 | 0 | 111.7 | V202 I206 V220 G221 R222 L227 V228 | V202-L224 HydrophobicContact CG1-CD2 3.47Å; V202-L224 VanDerWaalsContact CG1-CD2 3.47Å; I206-L224 HydrophobicContact CD1-CD1 4.1Å; I206-L224 HydrophobicContact CG1-CD1 4.09Å; V220-L224 HydrophobicContact CG1-CD1 4.12Å; V220-L224 HydrophobicContact CG1-CG 4.34Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.29Å; G221-L224 PolarHBondContact O-N 2.92Å; R222-L224 VanDerWaalsContact C-N 3.35Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-V228 WeakPolarHBondContact O-CG2 3.15Å; L224-V228 PolarHBondContact O-N 3.04Å; L224-V228 VanDerWaalsContact O-N 3.07Å |
| 225 | M | 88.1 | Confident | 86.6 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | 176.9 | -164.1 | 169.1 | -168.7 | 0 | 0 | 111.9 | G221 R222 L227 V228 N229 | G221-M225 PolarHBondContact O-N 3.3Å; R222-M225 PolarHBondContact O-N 2.83Å; M225-L227 VanDerWaalsContact C-N 3.32Å; M225-L227 PolarHBondContact O-N 2.86Å; M225-V228 PolarHBondContact O-N 2.96Å; M225-N229 VanDerWaalsContact O-CB 3.3Å; M225-N229 WeakPolarHBondContact O-CB 3.46Å; M225-N229 PolarHBondContact O-N 2.84Å; M225-N229 PolarHBondContact O-ND2 2.84Å |
| 226 | D | 92.3 | Very high | 87.1 | Confident | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.1 | -37.7 | 173.3 | -173.4 | 46.9 | 0 | 0 | 0 | 112 | R222 F223 K230 | R222-D226 PolarHBondContact O-N 2.86Å; F223-D226 PolarHBondContact O-N 3.07Å; D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 2.94Å; D226-K230 VanDerWaalsContact O-N 3.12Å; D226-K230 IonicContact OD1-NZ 3.49Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.97Å; D226-K230 PolarHBondContact OD2-NZ 2.97Å |
| 227 | L | 88.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -46.5 | 175.9 | 179.8 | 65.9 | 0 | 0 | 0 | 112.1 | F223 L224 M225 K230 | F223-L227 WeakPolarHBondContact O-CB 3.43Å; F223-L227 PolarHBondContact O-N 3.35Å; L224-L227 WeakPolarHBondContact O-CB 3.45Å; L224-L227 PolarHBondContact O-N 3.41Å; M225-L227 VanDerWaalsContact C-N 3.32Å; M225-L227 PolarHBondContact O-N 2.86Å; L227-K230 PolarHBondContact O-N 3.43Å |
| 228 | V | 87.9 | Confident | 88 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 62% | 0.624 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.3 | -40.8 | 179.9 | 176.4 | 0 | 0 | 0 | 0 | 111 | L224 M225 K230 V231 | L224-V228 WeakPolarHBondContact O-CG2 3.15Å; L224-V228 PolarHBondContact O-N 3.04Å; L224-V228 VanDerWaalsContact O-N 3.07Å; M225-V228 PolarHBondContact O-N 2.96Å; V228-K230 PolarHBondContact O-N 3.14Å; V228-V231 PolarHBondContact O-N 3.38Å; V228-V231 VanDerWaalsContact O-N 3.14Å |
| 229 | N | 89.6 | Confident | 88.2 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 60% | 0.599 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.6 | -18.5 | -179.4 | -71.5 | -21.4 | 0 | 0 | 0 | 113.7 | M225 V231 | M225-N229 VanDerWaalsContact O-CB 3.3Å; M225-N229 WeakPolarHBondContact O-CB 3.46Å; M225-N229 PolarHBondContact O-N 2.84Å; M225-N229 PolarHBondContact O-ND2 2.84Å; N229-V231 VanDerWaalsContact C-N 3.26Å |
| 230 | K | 90.9 | Very high | 88.3 | Confident | 139 Ų | 139 | 104.8 Ų | 104.8 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -18.8 | 172.8 | -80.9 | 170.7 | -172.7 | 163.1 | 0 | 113.3 | D226 L227 V228 P232 | D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.11Å; D226-K230 PolarHBondContact O-N 2.94Å; D226-K230 VanDerWaalsContact O-N 3.12Å; D226-K230 IonicContact OD1-NZ 3.49Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.97Å; D226-K230 PolarHBondContact OD2-NZ 2.97Å; L227-K230 PolarHBondContact O-N 3.43Å; V228-K230 PolarHBondContact O-N 3.14Å; K230-P232 VanDerWaalsContact O-CD 3.27Å; K230-P232 WeakPolarHBondContact O-CD 3.36Å |
| 231 | V | 85.1 | Confident | 88.6 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -80.8 | 112.8 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | V228 N229 T233 | V228-V231 PolarHBondContact O-N 3.38Å; V228-V231 VanDerWaalsContact O-N 3.14Å; N229-V231 VanDerWaalsContact C-N 3.26Å; V231-T233 PolarHBondContact O-N 3.11Å |
| 232 | P | 83.4 | Confident | 88.8 | Confident | 94 Ų | 94 | 111.3 Ų | 111.3 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | trans | -67.4 | 134 | 179.5 | 27.4 | -32.7 | 0 | 0 | 0 | 110.2 | K230 I234 | K230-P232 VanDerWaalsContact O-CD 3.27Å; K230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-I234 HydrophobicContact CB-CD1 4.44Å; P232-I234 HydrophobicContact CB-CG1 4.17Å; P232-I234 HydrophobicContact CG-CD1 4.14Å; P232-I234 HydrophobicContact CG-CG1 4.34Å; P232-I234 PolarHBondContact O-N 2.85Å; P232-I234 VanDerWaalsContact O-N 3.16Å | ||
| 233 | T | 80.8 | Confident | 88.8 | Confident | 147 Ų | 147 | 105 Ų | 105 | 90% | 0.902 | 56% | 0.559 | S | S | * | * | trans | -80.5 | 94 | 173 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | V231 | V231-T233 PolarHBondContact O-N 3.11Š| ||
| 234 | I | 86.4 | Confident | 89 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 48% | 0.482 | 55% | 0.546 | S | S | . | . | trans | -100 | 149 | 176 | -51.7 | 173.8 | 0 | 0 | 0 | 108.3 | P232 D238 | P232-I234 HydrophobicContact CB-CD1 4.44Å; P232-I234 HydrophobicContact CB-CG1 4.17Å; P232-I234 HydrophobicContact CG-CD1 4.14Å; P232-I234 HydrophobicContact CG-CG1 4.34Å; P232-I234 PolarHBondContact O-N 2.85Å; P232-I234 VanDerWaalsContact O-N 3.16Å; I234-D238 HydrophobicContact CG2-CB 3.9Å | ||
| 235 | T | 90.1 | Very high | 89.3 | Confident | 76 Ų | 76 | 102.2 Ų | 102.2 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | trans | -66.9 | 148.5 | 172.4 | 74.2 | 0 | 0 | 0 | 0 | 110.1 | E237 D238 F239 | T235-E237 VanDerWaalsContact C-N 3.25Å; T235-E237 PolarHBondContact O-N 2.92Å; T235-D238 PolarHBondContact O-N 2.87Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3Å; T235-D238 PolarHBondContact OG1-OD2 3.31Å; T235-F239 PolarHBondContact O-N 2.95Å; T235-F239 VanDerWaalsContact O-N 3.15Å | ||
| 236 | A | 88.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -36.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F239 E240 | A236-F239 PolarHBondContact O-N 3.31Å; A236-E240 WeakPolarHBondContact O-CB 3.25Å; A236-E240 PolarHBondContact O-N 3.3Å |
| 237 | E | 91.1 | Very high | 89.6 | Confident | 149 Ų | 149 | 100.7 Ų | 100.7 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66 | -45.1 | 179.9 | -64.7 | -178.7 | -177.2 | 0 | 0 | 112 | T235 F239 E240 N241 | T235-E237 VanDerWaalsContact C-N 3.25Å; T235-E237 PolarHBondContact O-N 2.92Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.17Å; E237-E240 PolarHBondContact O-N 2.94Å; E237-N241 WeakPolarHBondContact O-CB 3.42Å; E237-N241 VanDerWaalsContact O-CG 3.31Å; E237-N241 PolarHBondContact O-N 2.93Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.13Å |
| 238 | D | 89.3 | Confident | 89.8 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 177.6 | -66.4 | -37.3 | 0 | 0 | 0 | 111.4 | I234 T235 M242 | I234-D238 HydrophobicContact CG2-CB 3.9Å; T235-D238 PolarHBondContact O-N 2.87Å; T235-D238 WeakPolarHBondContact OG1-CB 3.4Å; T235-D238 PolarHBondContact OG1-N 3Å; T235-D238 PolarHBondContact OG1-OD2 3.31Å; D238-M242 WeakPolarHBondContact O-CB 3.28Å; D238-M242 PolarHBondContact O-N 2.94Å |
| 239 | F | 89.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 100.3 Ų | 100.3 | 46% | 0.456 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 177.4 | -178.8 | -99.7 | 0 | 0 | 0 | 112.2 | T235 A236 E237 M242 L243 | T235-F239 PolarHBondContact O-N 2.95Å; T235-F239 VanDerWaalsContact O-N 3.15Å; A236-F239 PolarHBondContact O-N 3.31Å; E237-F239 VanDerWaalsContact C-N 3.32Å; E237-F239 PolarHBondContact O-N 3.17Å; F239-M242 HydrophobicContact CD2-CE 3.94Å; F239-M242 HydrophobicContact CE2-CE 4.15Å; F239-M242 PolarHBondContact O-N 3.32Å; F239-L243 HydrophobicContact CE1-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD1 3.73Å; F239-L243 VanDerWaalsContact O-CB 3.26Å; F239-L243 WeakPolarHBondContact O-CB 3.26Å; F239-L243 PolarHBondContact O-N 2.93Å |
| 240 | E | 91.3 | Very high | 90.4 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 178.5 | -176.6 | 170 | -170.8 | 0 | 0 | 111.4 | A236 E237 L243 N244 | A236-E240 WeakPolarHBondContact O-CB 3.25Å; A236-E240 PolarHBondContact O-N 3.3Å; E237-E240 PolarHBondContact O-N 2.94Å; E240-L243 PolarHBondContact O-N 2.75Å; E240-N244 WeakPolarHBondContact CG-ND2 3.35Å; E240-N244 VanDerWaalsContact O-CB 3.26Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 VanDerWaalsContact O-CG 3.27Å; E240-N244 PolarHBondContact O-N 3.3Å; E240-N244 PolarHBondContact O-ND2 3.29Å |
| 241 | N | 92.8 | Very high | 90.5 | Very high | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | 175 | -74.1 | -33.1 | 0 | 0 | 0 | 112.1 | E237 S245 | E237-N241 WeakPolarHBondContact O-CB 3.42Å; E237-N241 VanDerWaalsContact O-CG 3.31Å; E237-N241 PolarHBondContact O-N 2.93Å; E237-N241 PolarHBondContact O-ND2 3.05Å; E237-N241 VanDerWaalsContact O-ND2 3.13Å; N241-S245 WeakPolarHBondContact O-CB 3.4Å; N241-S245 PolarHBondContact O-N 3.4Å |
| 242 | M | 90.9 | Very high | 91 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 177.4 | -176.7 | -172.8 | 69.7 | 0 | 0 | 111.7 | D238 F239 N246 | D238-M242 WeakPolarHBondContact O-CB 3.28Å; D238-M242 PolarHBondContact O-N 2.94Å; F239-M242 HydrophobicContact CD2-CE 3.94Å; F239-M242 HydrophobicContact CE2-CE 4.15Å; F239-M242 PolarHBondContact O-N 3.32Å; M242-N246 WeakPolarHBondContact O-CB 3.38Å; M242-N246 PolarHBondContact O-N 3.1Å |
| 243 | L | 90.8 | Very high | 91.6 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 37% | 0.366 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | -178.5 | -170.9 | 150 | 0 | 0 | 0 | 111.3 | F239 E240 S245 N246 I247 | F239-L243 HydrophobicContact CE1-CD1 3.66Å; F239-L243 HydrophobicContact CZ-CD1 3.73Å; F239-L243 VanDerWaalsContact O-CB 3.26Å; F239-L243 WeakPolarHBondContact O-CB 3.26Å; F239-L243 PolarHBondContact O-N 2.93Å; E240-L243 PolarHBondContact O-N 2.75Å; L243-S245 PolarHBondContact O-N 3.31Å; L243-N246 PolarHBondContact O-N 2.92Å; L243-I247 HydrophobicContact CD2-CD1 3.4Å; L243-I247 HydrophobicContact CD2-CG1 4.15Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.36Å; L243-I247 PolarHBondContact O-N 3.12Å |
| 244 | N | 93.5 | Very high | 92.2 | Very high | 69 Ų | 69 | 95.8 Ų | 95.8 | 37% | 0.369 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.4 | -76 | -28.3 | 0 | 0 | 0 | 111.9 | E240 N246 I247 N248 | E240-N244 WeakPolarHBondContact CG-ND2 3.35Å; E240-N244 VanDerWaalsContact O-CB 3.26Å; E240-N244 WeakPolarHBondContact O-CB 3.47Å; E240-N244 VanDerWaalsContact O-CG 3.27Å; E240-N244 PolarHBondContact O-N 3.3Å; E240-N244 PolarHBondContact O-ND2 3.29Å; N244-N246 PolarHBondContact O-N 2.89Å; N244-I247 PolarHBondContact O-N 3.08Å; N244-N248 WeakPolarHBondContact O-CB 3.49Å; N244-N248 PolarHBondContact O-N 3.08Å; N244-N248 PolarHBondContact O-ND2 2.74Å |
| 245 | S | 94.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 98.8 Ų | 98.8 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.3 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | N241 L243 I247 N248 D249 | N241-S245 WeakPolarHBondContact O-CB 3.4Å; N241-S245 PolarHBondContact O-N 3.4Å; L243-S245 PolarHBondContact O-N 3.31Å; S245-I247 PolarHBondContact O-N 3.25Å; S245-N248 PolarHBondContact O-N 3.17Å; S245-D249 PolarHBondContact O-N 2.93Å |
| 246 | N | 93.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | -179 | -163.6 | -95.4 | 0 | 0 | 0 | 112.5 | M242 L243 N244 D249 L250 | M242-N246 WeakPolarHBondContact O-CB 3.38Å; M242-N246 PolarHBondContact O-N 3.1Å; L243-N246 PolarHBondContact O-N 2.92Å; N244-N246 PolarHBondContact O-N 2.89Å; N246-D249 PolarHBondContact O-N 3.3Å; N246-L250 PolarHBondContact O-N 3.01Å; N246-L250 WeakPolarHBondContact OD1-CD1 3.38Å |
| 247 | I | 93.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 174 | -74.7 | -178.5 | 0 | 0 | 0 | 110.9 | L243 N244 S245 D249 L250 L251 | L243-I247 HydrophobicContact CD2-CD1 3.4Å; L243-I247 HydrophobicContact CD2-CG1 4.15Å; L243-I247 HydrophobicContact CG-CD1 4.44Å; L243-I247 WeakPolarHBondContact O-CG1 3.36Å; L243-I247 PolarHBondContact O-N 3.12Å; N244-I247 PolarHBondContact O-N 3.08Å; S245-I247 PolarHBondContact O-N 3.25Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.77Å; I247-L250 PolarHBondContact O-N 3.49Å; I247-L251 HydrophobicContact CG2-CD1 3.54Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 WeakPolarHBondContact O-CD1 3.43Å; I247-L251 WeakPolarHBondContact O-CG 3.12Å; I247-L251 PolarHBondContact O-N 2.83Å |
| 248 | N | 93.6 | Very high | 93.5 | Very high | 102 Ų | 102 | 96.4 Ų | 96.4 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 178.2 | -72.4 | -26 | 0 | 0 | 0 | 111.6 | N244 S245 L251 M252 | N244-N248 WeakPolarHBondContact O-CB 3.49Å; N244-N248 PolarHBondContact O-N 3.08Å; N244-N248 PolarHBondContact O-ND2 2.74Å; S245-N248 PolarHBondContact O-N 3.17Å; N248-L251 PolarHBondContact O-N 3.49Å; N248-M252 WeakPolarHBondContact O-CB 3.38Å; N248-M252 PolarHBondContact O-N 2.91Å |
| 249 | D | 95.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 95.8 Ų | 95.8 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.9 | -70.2 | -21.2 | 0 | 0 | 0 | 111.9 | S245 N246 I247 L251 M252 V253 | S245-D249 PolarHBondContact O-N 2.93Å; N246-D249 PolarHBondContact O-N 3.3Å; I247-D249 VanDerWaalsContact C-N 3.32Å; I247-D249 PolarHBondContact O-N 2.77Å; D249-L251 PolarHBondContact O-N 3.19Å; D249-M252 PolarHBondContact O-N 3.42Å; D249-V253 WeakPolarHBondContact O-CG2 3.32Å; D249-V253 PolarHBondContact O-N 3.26Å |
| 250 | L | 93.7 | Very high | 94.1 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176 | -82.2 | 159.7 | 0 | 0 | 0 | 112.4 | N246 I247 M252 V253 T254 | N246-L250 PolarHBondContact O-N 3.01Å; N246-L250 WeakPolarHBondContact OD1-CD1 3.38Å; I247-L250 PolarHBondContact O-N 3.49Å; L250-M252 VanDerWaalsContact C-N 3.33Å; L250-V253 PolarHBondContact O-N 3.38Å; L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.87Å |
| 251 | L | 93.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 173.9 | -83.4 | 157.3 | 0 | 0 | 0 | 111.6 | I247 N248 D249 T254 Y255 | I247-L251 HydrophobicContact CG2-CD1 3.54Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CB 3.36Å; I247-L251 WeakPolarHBondContact O-CD1 3.43Å; I247-L251 WeakPolarHBondContact O-CG 3.12Å; I247-L251 PolarHBondContact O-N 2.83Å; N248-L251 PolarHBondContact O-N 3.49Å; D249-L251 PolarHBondContact O-N 3.19Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.43Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.1Å; L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 PolarHBondContact O-N 3.49Å |
| 252 | M | 94.5 | Very high | 94.4 | Very high | 129 Ų | 129 | 92.1 Ų | 92.1 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 177.3 | -177.8 | 168 | 161.8 | 0 | 0 | 111.5 | N248 D249 L250 Y255 L256 | N248-M252 WeakPolarHBondContact O-CB 3.38Å; N248-M252 PolarHBondContact O-N 2.91Å; D249-M252 PolarHBondContact O-N 3.42Å; L250-M252 VanDerWaalsContact C-N 3.33Å; M252-Y255 PolarHBondContact O-N 3.31Å; M252-L256 WeakPolarHBondContact O-CB 3.39Å; M252-L256 PolarHBondContact O-N 3.19Å |
| 253 | V | 95.7 | Very high | 94.5 | Very high | 91 Ų | 91 | 92.2 Ų | 92.2 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | D249 L250 L256 S257 | D249-V253 WeakPolarHBondContact O-CG2 3.32Å; D249-V253 PolarHBondContact O-N 3.26Å; L250-V253 PolarHBondContact O-N 3.38Å; V253-L256 PolarHBondContact O-N 3Å; V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 3.02Å; V253-S257 PolarHBondContact O-OG 2.88Å |
| 254 | T | 94.2 | Very high | 94.7 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.8 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | L250 L251 S257 N258 | L250-T254 WeakPolarHBondContact O-CG2 3.29Å; L250-T254 PolarHBondContact O-N 3.29Å; L250-T254 PolarHBondContact O-OG1 2.87Å; L251-T254 VanDerWaalsContact CA-OG1 3.31Å; L251-T254 WeakPolarHBondContact CA-OG1 3.43Å; L251-T254 PolarHBondContact O-N 3.19Å; L251-T254 PolarHBondContact O-OG1 3.1Å; T254-S257 PolarHBondContact O-N 3.18Å; T254-N258 PolarHBondContact O-N 3.22Å; T254-N258 PolarHBondContact O-ND2 3.26Å |
| 255 | Y | 95.6 | Very high | 94.8 | Very high | 158 Ų | 158 | 93.2 Ų | 93.2 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 173.8 | -179.3 | -105.4 | 0 | 0 | 0 | 112.2 | L251 M252 S257 N258 L259 | L251-Y255 VanDerWaalsContact O-CB 3.28Å; L251-Y255 WeakPolarHBondContact O-CB 3.36Å; L251-Y255 PolarHBondContact O-N 3.49Å; M252-Y255 PolarHBondContact O-N 3.31Å; Y255-S257 VanDerWaalsContact C-N 3.32Å; Y255-S257 PolarHBondContact O-N 3.39Å; Y255-N258 PolarHBondContact O-N 2.89Å; Y255-L259 HydrophobicContact CE1-CD1 4.32Å; Y255-L259 PolarHBondContact O-N 3.06Å |
| 256 | L | 95.4 | Very high | 94.8 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.4 | -149.4 | 88.6 | 0 | 0 | 0 | 111.3 | M252 V253 N258 L259 T260 | M252-L256 WeakPolarHBondContact O-CB 3.39Å; M252-L256 PolarHBondContact O-N 3.19Å; V253-L256 PolarHBondContact O-N 3Å; L256-N258 PolarHBondContact O-N 3.36Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.47Å; L256-T260 WeakPolarHBondContact O-CG2 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å |
| 257 | S | 96.1 | Very high | 94.8 | Very high | 52 Ų | 52 | 95.3 Ų | 95.3 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | V253 T254 Y255 L259 T260 Q261 | V253-S257 WeakPolarHBondContact O-CB 3.45Å; V253-S257 PolarHBondContact O-N 3.02Å; V253-S257 PolarHBondContact O-OG 2.88Å; T254-S257 PolarHBondContact O-N 3.18Å; Y255-S257 VanDerWaalsContact C-N 3.32Å; Y255-S257 PolarHBondContact O-N 3.39Å; S257-L259 PolarHBondContact O-N 2.94Å; S257-T260 WeakPolarHBondContact CA-OG1 3.02Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 PolarHBondContact O-OG1 3.4Å; S257-Q261 WeakPolarHBondContact O-CG 3.35Å; S257-Q261 PolarHBondContact O-N 2.92Å |
| 258 | N | 95.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 175.9 | -71.4 | -22.7 | 0 | 0 | 0 | 112 | T254 Y255 L256 Q261 A262 | T254-N258 PolarHBondContact O-N 3.22Å; T254-N258 PolarHBondContact O-ND2 3.26Å; Y255-N258 PolarHBondContact O-N 2.89Å; L256-N258 PolarHBondContact O-N 3.36Å; N258-Q261 PolarHBondContact O-N 2.89Å; N258-A262 WeakPolarHBondContact O-CB 2.94Å; N258-A262 PolarHBondContact O-N 3.13Å |
| 259 | L | 95.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.1 | -160.2 | 171.2 | 0 | 0 | 0 | 110.5 | Y255 L256 S257 Q261 A262 Q263 | Y255-L259 HydrophobicContact CE1-CD1 4.32Å; Y255-L259 PolarHBondContact O-N 3.06Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.47Å; S257-L259 PolarHBondContact O-N 2.94Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.3Å; L259-A262 PolarHBondContact O-N 3.34Å; L259-Q263 WeakPolarHBondContact O-CB 3.42Å; L259-Q263 PolarHBondContact O-N 3.42Å |
| 260 | T | 95.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | L256 S257 Q263 I264 | L256-T260 WeakPolarHBondContact O-CG2 3.38Å; L256-T260 PolarHBondContact O-N 3.45Å; L256-T260 PolarHBondContact O-OG1 2.91Å; S257-T260 WeakPolarHBondContact CA-OG1 3.02Å; S257-T260 PolarHBondContact O-N 3.4Å; S257-T260 PolarHBondContact O-OG1 3.4Å; T260-Q263 PolarHBondContact O-N 3.32Å; T260-I264 WeakPolarHBondContact O-CB 3.35Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 2.86Å |
| 261 | Q | 94.6 | Very high | 94.2 | Very high | 129 Ų | 129 | 101.2 Ų | 101.2 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 175.1 | -77.2 | -179.3 | -2.7 | 0 | 0 | 111.6 | S257 N258 L259 Q263 I264 A265 | S257-Q261 WeakPolarHBondContact O-CG 3.35Å; S257-Q261 PolarHBondContact O-N 2.92Å; N258-Q261 PolarHBondContact O-N 2.89Å; L259-Q261 VanDerWaalsContact C-N 3.33Å; L259-Q261 PolarHBondContact O-N 3.3Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-I264 PolarHBondContact O-N 2.93Å; Q261-A265 WeakPolarHBondContact O-CB 3.43Å; Q261-A265 PolarHBondContact O-N 3.48Å |
| 262 | A | 95.3 | Very high | 93.5 | Very high | 54 Ų | 54 | 102.4 Ų | 102.4 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N258 L259 A265 L266 | N258-A262 WeakPolarHBondContact O-CB 2.94Å; N258-A262 PolarHBondContact O-N 3.13Å; L259-A262 PolarHBondContact O-N 3.34Å; A262-A265 PolarHBondContact O-N 3.17Å; A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.39Å; A262-L266 PolarHBondContact O-N 3.06Å |
| 263 | Q | 93.4 | Very high | 92 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 177.3 | -170.5 | 64.3 | 13.5 | 0 | 0 | 112.1 | L259 T260 Q261 L266 N267 | L259-Q263 WeakPolarHBondContact O-CB 3.42Å; L259-Q263 PolarHBondContact O-N 3.42Å; T260-Q263 PolarHBondContact O-N 3.32Å; Q261-Q263 VanDerWaalsContact C-N 3.35Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q263-L266 PolarHBondContact O-N 3.09Å; Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.23Å |
| 264 | I | 95.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 106.4 Ų | 106.4 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.7 | -47.1 | 173.6 | -70.2 | 164.3 | 0 | 0 | 0 | 110.1 | T260 Q261 L266 N267 E268 | T260-I264 WeakPolarHBondContact O-CB 3.35Å; T260-I264 WeakPolarHBondContact O-CD1 3.42Å; T260-I264 WeakPolarHBondContact O-CG1 3.34Å; T260-I264 PolarHBondContact O-N 2.86Å; Q261-I264 PolarHBondContact O-N 2.93Å; I264-L266 PolarHBondContact O-N 3.34Å; I264-N267 PolarHBondContact O-N 3.18Å; I264-E268 WeakPolarHBondContact O-CB 3.38Å; I264-E268 PolarHBondContact O-N 3.36Å |
| 265 | A | 94.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 108.1 Ų | 108.1 | 40% | 0.397 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q261 A262 K269 | Q261-A265 WeakPolarHBondContact O-CB 3.43Å; Q261-A265 PolarHBondContact O-N 3.48Å; A262-A265 PolarHBondContact O-N 3.17Å; A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 2.8Å; A265-K269 VanDerWaalsContact O-N 3.13Å |
| 266 | L | 94.4 | Very high | 91.5 | Very high | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -44 | 174.6 | -75.9 | 171.7 | 0 | 0 | 0 | 111.7 | A262 Q263 I264 K269 L270 | A262-L266 WeakPolarHBondContact O-CB 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.39Å; A262-L266 PolarHBondContact O-N 3.06Å; Q263-L266 PolarHBondContact O-N 3.09Å; I264-L266 PolarHBondContact O-N 3.34Å; L266-K269 PolarHBondContact O-N 2.94Å; L266-L270 PolarHBondContact O-N 3.17Å |
| 267 | N | 93.9 | Very high | 91.3 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -43.3 | 178.7 | -167.9 | 18.5 | 0 | 0 | 0 | 111.3 | Q263 I264 K269 L270 V271 | Q263-N267 WeakPolarHBondContact O-CB 3.45Å; Q263-N267 PolarHBondContact O-N 3.23Å; I264-N267 PolarHBondContact O-N 3.18Å; N267-K269 VanDerWaalsContact C-N 3.29Å; N267-K269 PolarHBondContact O-N 3.4Å; N267-L270 PolarHBondContact O-N 3.17Å; N267-L270 VanDerWaalsContact O-N 3.12Å; N267-V271 WeakPolarHBondContact O-CG2 3.43Å; N267-V271 PolarHBondContact O-N 2.77Å |
| 268 | E | 94.3 | Very high | 91 | Very high | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58 | -42.9 | 175.4 | -169.9 | 179.6 | -174 | 0 | 0 | 111.5 | I264 V271 L272 | I264-E268 WeakPolarHBondContact O-CB 3.38Å; I264-E268 PolarHBondContact O-N 3.36Å; E268-V271 PolarHBondContact O-N 3.24Å; E268-L272 HydrophobicContact CG-CD1 4.2Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.37Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.46Å; E268-L272 VanDerWaalsContact O-N 3.13Å |
| 269 | K | 92.4 | Very high | 90.7 | Very high | 140 Ų | 140 | 109.3 Ų | 109.3 | 61% | 0.609 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.1 | -34.3 | 175.8 | -68.4 | -66.6 | 178 | -170.9 | 0 | 113.5 | A265 L266 N267 | A265-K269 WeakPolarHBondContact O-CG 3.31Å; A265-K269 PolarHBondContact O-N 2.8Å; A265-K269 VanDerWaalsContact O-N 3.13Å; L266-K269 PolarHBondContact O-N 2.94Å; N267-K269 VanDerWaalsContact C-N 3.29Å; N267-K269 PolarHBondContact O-N 3.4Å |
| 270 | L | 90.3 | Very high | 90.3 | Very high | 121 Ų | 121 | 111.1 Ų | 111.1 | 63% | 0.634 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.8 | -35.7 | 176.9 | -107.1 | 161.5 | 0 | 0 | 0 | 112.7 | L266 N267 L272 L273 | L266-L270 PolarHBondContact O-N 3.17Å; N267-L270 PolarHBondContact O-N 3.17Å; N267-L270 VanDerWaalsContact O-N 3.12Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L273 PolarHBondContact O-N 3Å |
| 271 | V | 87.6 | Confident | 89.9 | Confident | 113 Ų | 113 | 114 Ų | 114 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.4 | -25.1 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 112 | N267 E268 L273 | N267-V271 WeakPolarHBondContact O-CG2 3.43Å; N267-V271 PolarHBondContact O-N 2.77Å; E268-V271 PolarHBondContact O-N 3.24Å; V271-L273 VanDerWaalsContact C-N 3.28Å |
| 272 | L | 78.6 | Confident | 89.5 | Confident | 126 Ų | 126 | 112.8 Ų | 112.8 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -9.8 | 175.1 | -81.8 | 161.4 | 0 | 0 | 0 | 114 | E268 L270 | E268-L272 HydrophobicContact CG-CD1 4.2Å; E268-L272 WeakPolarHBondContact O-CB 3.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.37Å; E268-L272 WeakPolarHBondContact O-CG 3.44Å; E268-L272 PolarHBondContact O-N 3.46Å; E268-L272 VanDerWaalsContact O-N 3.13Å; L270-L272 VanDerWaalsContact C-N 3.32Å |
| 273 | L | 63.7 | Low | 89 | Confident | 198 Ų | 198 | 118.1 Ų | 118.1 | 100% | 1.037 | 62% | 0.616 | S | S | * | * | trans | -93 | 0 | 174.9 | -81.6 | 156.2 | 0 | 0 | 0 | 110.8 | L270 V271 | L270-L273 PolarHBondContact O-N 3Å; V271-L273 VanDerWaalsContact C-N 3.28Å |
Retrieved 273 of 273 residues in 302.8 ms
(Link to these results)