| 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 | 56.4 | Low | 78.9 | Confident | 224 Ų | 224 | 111.7 Ų | 111.7 | 100% | 1.103 | 59% | 0.594 | S | S | * | * | 0 | -35.3 | 0 | -116.5 | -174.8 | 169.6 | 0 | 0 | 114.1 | C3 Y4 | M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.03Å; M1-Y4 PolarHBondContact O-N 3.08Å | |||
| 2 | F | 67.6 | Low | 79.7 | Confident | 189 Ų | 189 | 103.4 Ų | 103.4 | 83% | 0.829 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.1 | -28.4 | -176.1 | -64.5 | -74.6 | 0 | 0 | 0 | 116 | Y4 A5 | F2-Y4 PolarHBondContact O-N 3.12Å; F2-A5 PolarHBondContact O-N 2.79Å |
| 3 | C | 77.9 | Confident | 80.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.1 | -36.8 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 113.2 | M1 A5 L6 L7 | M1-C3 VanDerWaalsContact C-N 3.33Å; M1-C3 PolarHBondContact O-N 3.03Å; C3-A5 PolarHBondContact O-N 2.91Å; C3-L6 PolarHBondContact O-N 3.01Å; C3-L7 WeakPolarHBondContact O-CG 3.13Å; C3-L7 PolarHBondContact O-N 2.89Å |
| 4 | Y | 79.8 | Confident | 80.9 | Confident | 128 Ų | 128 | 95.7 Ų | 95.7 | 50% | 0.502 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | -176.9 | -159.7 | -96.4 | 0 | 0 | 0 | 112.1 | M1 F2 L6 L7 L8 | M1-Y4 PolarHBondContact O-N 3.08Å; F2-Y4 PolarHBondContact O-N 3.12Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 2.76Å; Y4-L7 PolarHBondContact O-N 3.07Å; Y4-L7 VanDerWaalsContact O-N 3.16Å; Y4-L8 HydrophobicContact CD1-CD2 4.2Å; Y4-L8 HydrophobicContact CD1-CG 4.19Å; Y4-L8 HydrophobicContact CE1-CD2 3.72Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 WeakPolarHBondContact O-CG 3.31Å; Y4-L8 PolarHBondContact O-N 3.42Å; Y4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | A | 79.7 | Confident | 81.4 | Confident | 62 Ų | 62 | 92.1 Ų | 92.1 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F2 C3 P9 | F2-A5 PolarHBondContact O-N 2.79Å; C3-A5 PolarHBondContact O-N 2.91Å; A5-P9 WeakPolarHBondContact O-CD 3.19Å |
| 6 | L | 80.7 | Confident | 81.9 | Confident | 135 Ų | 135 | 86.3 Ų | 86.3 | 71% | 0.707 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74.9 | -25.9 | 177.3 | -63.2 | 175.8 | 0 | 0 | 0 | 113 | C3 Y4 P9 | C3-L6 PolarHBondContact O-N 3.01Å; Y4-L6 VanDerWaalsContact C-N 3.28Å; Y4-L6 PolarHBondContact O-N 2.76Å; L6-P9 WeakPolarHBondContact O-CD 3.23Å |
| 7 | L | 83.1 | Confident | 82.2 | Confident | 77 Ų | 77 | 89.4 Ų | 89.4 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -82 | -22.8 | 177.1 | -66.8 | 174 | 0 | 0 | 0 | 112.8 | C3 Y4 T10 I11 | C3-L7 WeakPolarHBondContact O-CG 3.13Å; C3-L7 PolarHBondContact O-N 2.89Å; Y4-L7 PolarHBondContact O-N 3.07Å; Y4-L7 VanDerWaalsContact O-N 3.16Å; L7-T10 WeakPolarHBondContact O-CB 3.44Å; L7-T10 PolarHBondContact O-N 2.78Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L7-I11 HydrophobicContact CB-CD1 4.09Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 2.98Å; L7-I11 PolarHBondContact O-N 3.18Å |
| 8 | L | 82.7 | Confident | 82.6 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 41% | 0.408 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55 | -47.4 | -178.9 | -76.9 | 175.4 | 0 | 0 | 0 | 113.8 | Y4 T10 I11 A12 | Y4-L8 HydrophobicContact CD1-CD2 4.2Å; Y4-L8 HydrophobicContact CD1-CG 4.19Å; Y4-L8 HydrophobicContact CE1-CD2 3.72Å; Y4-L8 HydrophobicContact CE1-CG 4.22Å; Y4-L8 WeakPolarHBondContact O-CG 3.31Å; Y4-L8 PolarHBondContact O-N 3.42Å; Y4-L8 VanDerWaalsContact O-N 3.12Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 2.94Å; L8-I11 PolarHBondContact O-N 3.35Å; L8-A12 VanDerWaalsContact O-CB 3.26Å; L8-A12 WeakPolarHBondContact O-CB 3Å; L8-A12 PolarHBondContact O-N 2.81Å |
| 9 | P | 85 | Confident | 82.8 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.9 | -20.7 | 32.5 | 0 | 0 | 0 | 112.4 | A5 L6 A12 C13 | A5-P9 WeakPolarHBondContact O-CD 3.19Å; L6-P9 WeakPolarHBondContact O-CD 3.23Å; P9-A12 PolarHBondContact O-N 2.92Å; P9-C13 WeakPolarHBondContact O-CB 3.19Å; P9-C13 PolarHBondContact O-N 3.04Å; P9-C13 PolarHBondContact O-SG 3.03Å; P9-C13 VanDerWaalsContact O-SG 3.36Å |
| 10 | T | 87.5 | Confident | 83.1 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 179.2 | -48.6 | 0 | 0 | 0 | 0 | 111 | L7 L8 G14 | L7-T10 WeakPolarHBondContact O-CB 3.44Å; L7-T10 PolarHBondContact O-N 2.78Å; L7-T10 VanDerWaalsContact O-N 3.16Å; L8-T10 VanDerWaalsContact C-N 3.33Å; L8-T10 PolarHBondContact O-N 2.94Å; T10-G14 PolarHBondContact O-N 3.22Å |
| 11 | I | 87.4 | Confident | 83.1 | Confident | 72 Ų | 72 | 89.3 Ų | 89.3 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 177.3 | -64.1 | 166.4 | 0 | 0 | 0 | 110.3 | L7 L8 C13 G14 V15 T38 | L7-I11 HydrophobicContact CB-CD1 4.09Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 2.98Å; L7-I11 PolarHBondContact O-N 3.18Å; L8-I11 PolarHBondContact O-N 3.35Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.74Å; I11-G14 PolarHBondContact O-N 2.7Å; I11-G14 VanDerWaalsContact O-N 3.15Å; I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.36Å; I11-V15 PolarHBondContact O-N 3.3Å; I11-T38 HydrophobicContact CG2-CG2 4.17Å |
| 12 | A | 88.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 89.1 Ų | 89.1 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L8 P9 G16 | L8-A12 VanDerWaalsContact O-CB 3.26Å; L8-A12 WeakPolarHBondContact O-CB 3Å; L8-A12 PolarHBondContact O-N 2.81Å; P9-A12 PolarHBondContact O-N 2.92Å; A12-G16 PolarHBondContact O-N 2.88Å |
| 13 | C | 87.1 | Confident | 85.2 | Confident | 59 Ų | 59 | 86.6 Ų | 86.6 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 173.5 | -77.3 | 0 | 0 | 0 | 0 | 112.3 | P9 I11 K17 | P9-C13 WeakPolarHBondContact O-CB 3.19Å; P9-C13 PolarHBondContact O-N 3.04Å; P9-C13 PolarHBondContact O-SG 3.03Å; P9-C13 VanDerWaalsContact O-SG 3.36Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.74Å; C13-K17 WeakPolarHBondContact O-CB 3.46Å; C13-K17 VanDerWaalsContact O-CG 3.3Å; C13-K17 WeakPolarHBondContact O-CG 3.45Å; C13-K17 PolarHBondContact O-N 3.32Å |
| 14 | G | 89 | Confident | 85.4 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.7 | -51.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T10 I11 G16 K17 F18 | T10-G14 PolarHBondContact O-N 3.22Å; I11-G14 PolarHBondContact O-N 2.7Å; I11-G14 VanDerWaalsContact O-N 3.15Å; G14-G16 PolarHBondContact O-N 2.79Å; G14-K17 PolarHBondContact O-N 3.41Å; G14-F18 WeakPolarHBondContact O-CB 3.47Å; G14-F18 PolarHBondContact O-N 3.07Å |
| 15 | V | 88.8 | Confident | 85.7 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | I11 K17 F18 L19 T38 | I11-V15 HydrophobicContact CG2-CG2 4.05Å; I11-V15 WeakPolarHBondContact O-CB 3.22Å; I11-V15 WeakPolarHBondContact O-CG2 3.36Å; I11-V15 PolarHBondContact O-N 3.3Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.42Å; V15-F18 PolarHBondContact O-N 3.18Å; V15-L19 HydrophobicContact CG1-CD1 3.56Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 2.89Å; V15-T38 HydrophobicContact CB-CG2 4.05Å; V15-T38 HydrophobicContact CG1-CG2 4.09Å; V15-T38 HydrophobicContact CG2-CG2 3.87Å |
| 16 | G | 88.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A12 G14 F20 G21 R30 | A12-G16 PolarHBondContact O-N 2.88Å; G14-G16 PolarHBondContact O-N 2.79Å; G16-F20 CarbonylContact O-C 3.51Å; G16-F20 WeakPolarHBondContact O-CA 3.43Å; G16-F20 WeakPolarHBondContact O-CB 3.22Å; G16-F20 PolarHBondContact O-N 2.86Å; G16-F20 VanDerWaalsContact O-N 3.09Å; G16-G21 PolarHBondContact O-N 3.3Å; G16-R30 WeakPolarHBondContact CA-O 3.25Å |
| 17 | K | 87.2 | Confident | 86.5 | Confident | 139 Ų | 139 | 81.8 Ų | 81.8 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 173.6 | -77 | -179.3 | 178.8 | 179.3 | 0 | 112.3 | C13 G14 V15 G21 R30 | C13-K17 WeakPolarHBondContact O-CB 3.46Å; C13-K17 VanDerWaalsContact O-CG 3.3Å; C13-K17 WeakPolarHBondContact O-CG 3.45Å; C13-K17 PolarHBondContact O-N 3.32Å; G14-K17 PolarHBondContact O-N 3.41Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.42Å; K17-G21 VanDerWaalsContact O-CA 3.24Å; K17-G21 WeakPolarHBondContact O-CA 3.46Å; K17-G21 PolarHBondContact O-N 3.29Å; K17-R30 VanDerWaalsContact CA-NH2 3.31Å; K17-R30 PolarHBondContact O-NH2 2.77Å |
| 18 | F | 89.2 | Confident | 86.7 | Confident | 177 Ų | 177 | 84.8 Ų | 84.8 | 78% | 0.776 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.9 | -52.7 | -177.9 | -179.4 | -103.6 | 0 | 0 | 0 | 112.8 | G14 V15 | G14-F18 WeakPolarHBondContact O-CB 3.47Å; G14-F18 PolarHBondContact O-N 3.07Å; V15-F18 PolarHBondContact O-N 3.18Å |
| 19 | L | 86.8 | Confident | 87.1 | Confident | 94 Ų | 94 | 86.7 Ų | 86.7 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.9 | -40.9 | -175.8 | -64.6 | 179.8 | 0 | 0 | 0 | 112.7 | V15 A37 | V15-L19 HydrophobicContact CG1-CD1 3.56Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 2.89Å; L19-A37 HydrophobicContact CD1-CB 4.25Å |
| 20 | F | 89.5 | Confident | 87.3 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 24% | 0.237 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -113.7 | 11.8 | -168.6 | -55.9 | -63.9 | 0 | 0 | 0 | 113.1 | G16 K22 I23 T24 L33 A37 | G16-F20 CarbonylContact O-C 3.51Å; G16-F20 WeakPolarHBondContact O-CA 3.43Å; G16-F20 WeakPolarHBondContact O-CB 3.22Å; G16-F20 PolarHBondContact O-N 2.86Å; G16-F20 VanDerWaalsContact O-N 3.09Å; F20-K22 PolarHBondContact O-N 2.83Å; F20-I23 HydrophobicContact CB-CG2 3.68Å; F20-I23 HydrophobicContact CD1-CG2 3.77Å; F20-I23 HydrophobicContact CG-CG2 4.18Å; F20-I23 PolarHBondContact O-N 2.85Å; F20-T24 HydrophobicContact CB-CG2 3.99Å; F20-T24 PolarHBondContact O-N 3.02Å; F20-L33 HydrophobicContact CD1-CD1 4.39Å; F20-L33 HydrophobicContact CD2-CB 3.54Å; F20-L33 HydrophobicContact CE2-CB 3.64Å; F20-L33 HydrophobicContact CG-CB 4.07Å; F20-L33 HydrophobicContact CG-CD1 4.23Å; F20-L33 HydrophobicContact CZ-CB 4.22Å; F20-A37 HydrophobicContact CE2-CB 4.22Å |
| 21 | G | 82.3 | Confident | 87.4 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 32% | 0.32 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | G16 K17 | G16-G21 PolarHBondContact O-N 3.3Å; K17-G21 VanDerWaalsContact O-CA 3.24Å; K17-G21 WeakPolarHBondContact O-CA 3.46Å; K17-G21 PolarHBondContact O-N 3.29Å |
| 22 | K | 83.6 | Confident | 87.6 | Confident | 219 Ų | 219 | 85.2 Ų | 85.2 | 95% | 0.952 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -22.8 | 176 | -65.5 | -174.7 | 178.7 | -179.6 | 0 | 113.8 | F20 | F20-K22 PolarHBondContact O-N 2.83Š|
| 23 | I | 84.4 | Confident | 87.8 | Confident | 136 Ų | 136 | 88.3 Ų | 88.3 | 70% | 0.697 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -31.8 | -170 | -157 | 76.4 | 0 | 0 | 0 | 112.9 | F20 | F20-I23 HydrophobicContact CB-CG2 3.68Å; F20-I23 HydrophobicContact CD1-CG2 3.77Å; F20-I23 HydrophobicContact CG-CG2 4.18Å; F20-I23 PolarHBondContact O-N 2.85Å |
| 24 | T | 83.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 85.5 Ų | 85.5 | 10% | 0.104 | 45% | 0.449 | C | S | . | . | trans | -134.3 | 127.4 | -178.8 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | F20 K29 R30 L33 | F20-T24 HydrophobicContact CB-CG2 3.99Å; F20-T24 PolarHBondContact O-N 3.02Å; T24-K29 WeakPolarHBondContact OG1-CB 3.27Å; T24-R30 HydrophobicContact CG2-CB 4.27Å; T24-R30 HydrophobicContact CG2-CG 3.32Å; T24-R30 WeakPolarHBondContact O-CD 3.27Å; T24-R30 WeakPolarHBondContact O-CG 3.45Å; T24-L33 HydrophobicContact CG2-CD1 3.99Å | ||
| 25 | T | 85.6 | Confident | 88.1 | Confident | 129 Ų | 129 | 84.3 Ų | 84.3 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | trans | -78.6 | -35 | 177.7 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | D | 89.3 | Confident | 88.3 | Confident | 67 Ų | 67 | 84.8 Ų | 84.8 | 36% | 0.358 | 45% | 0.445 | S | S | . | . | trans | -65 | 123.9 | -176.9 | -64.9 | -41.9 | 0 | 0 | 0 | 111.8 | L28 K29 R30 | D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.44Å; D26-K29 HydrophobicContact CB-CB 4.06Å; D26-K29 HydrophobicContact CB-CD 3.98Å; D26-K29 HydrophobicContact CB-CG 3.96Å; D26-K29 PolarHBondContact O-N 2.89Å; D26-K29 WeakPolarHBondContact OD2-CD 3.48Å; D26-K29 VanDerWaalsContact OD2-CE 3.22Å; D26-K29 WeakPolarHBondContact OD2-CE 3.44Å; D26-K29 IonicContact OD2-NZ 2.71Å; D26-K29 PolarHBondContact OD2-NZ 2.87Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 3.24Å; D26-R30 VanDerWaalsContact O-N 3.11Å | ||
| 27 | P | 87.3 | Confident | 88.5 | Confident | 101 Ų | 101 | 86 Ų | 86 | 66% | 0.656 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | -178.1 | 24.1 | -32.7 | 0 | 0 | 0 | 112.8 | R30 A31 | P27-R30 PolarHBondContact O-N 3.22Å; P27-A31 PolarHBondContact O-N 3.17Å |
| 28 | L | 88.5 | Confident | 88.7 | Confident | 139 Ų | 139 | 81 Ų | 81 | 73% | 0.728 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.3 | -46.6 | 177.2 | -78.9 | 169 | 0 | 0 | 0 | 112.2 | D26 R30 A31 L32 | D26-L28 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 3.44Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 2.84Å; L28-A31 PolarHBondContact O-N 3.26Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.97Å |
| 29 | K | 89.6 | Confident | 88.8 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 52% | 0.517 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 178 | -66.6 | -178.4 | -174.4 | 154.3 | 0 | 111.5 | T24 D26 L32 L33 | T24-K29 WeakPolarHBondContact OG1-CB 3.27Å; D26-K29 HydrophobicContact CB-CB 4.06Å; D26-K29 HydrophobicContact CB-CD 3.98Å; D26-K29 HydrophobicContact CB-CG 3.96Å; D26-K29 PolarHBondContact O-N 2.89Å; D26-K29 WeakPolarHBondContact OD2-CD 3.48Å; D26-K29 VanDerWaalsContact OD2-CE 3.22Å; D26-K29 WeakPolarHBondContact OD2-CE 3.44Å; D26-K29 IonicContact OD2-NZ 2.71Å; D26-K29 PolarHBondContact OD2-NZ 2.87Å; K29-L32 PolarHBondContact O-N 2.99Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3.46Å |
| 30 | R | 89.8 | Confident | 89.1 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.8 | -47 | 173.9 | -71.7 | 169.5 | 80.6 | 171.1 | 7.1 | 112.1 | G16 K17 T24 D26 P27 L28 L32 L33 G34 | G16-R30 WeakPolarHBondContact CA-O 3.25Å; K17-R30 VanDerWaalsContact CA-NH2 3.31Å; K17-R30 PolarHBondContact O-NH2 2.77Å; T24-R30 HydrophobicContact CG2-CB 4.27Å; T24-R30 HydrophobicContact CG2-CG 3.32Å; T24-R30 WeakPolarHBondContact O-CD 3.27Å; T24-R30 WeakPolarHBondContact O-CG 3.45Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 3.24Å; D26-R30 VanDerWaalsContact O-N 3.11Å; P27-R30 PolarHBondContact O-N 3.22Å; L28-R30 VanDerWaalsContact C-N 3.31Å; L28-R30 PolarHBondContact O-N 2.84Å; R30-L32 VanDerWaalsContact C-N 3.35Å; R30-L33 PolarHBondContact O-N 3.45Å; R30-G34 PolarHBondContact O-N 3.48Å |
| 31 | A | 89.7 | Confident | 89.2 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 24% | 0.24 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P27 L28 G34 G35 | P27-A31 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.26Å; A31-G34 PolarHBondContact O-N 3.32Å; A31-G35 PolarHBondContact O-N 3.32Å |
| 32 | L | 91.4 | Very high | 89.6 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 68% | 0.681 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 176.2 | -72.8 | 172.9 | 0 | 0 | 0 | 112.4 | L28 K29 R30 G35 A36 | L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 2.99Å; R30-L32 VanDerWaalsContact C-N 3.35Å; L32-G35 PolarHBondContact O-N 2.89Å; L32-A36 PolarHBondContact O-N 3.45Å |
| 33 | L | 91.8 | Very high | 90.1 | Very high | 76 Ų | 76 | 75.2 Ų | 75.2 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.5 | -71.5 | 170.5 | 0 | 0 | 0 | 112 | F20 T24 K29 R30 A36 A37 | F20-L33 HydrophobicContact CD1-CD1 4.39Å; F20-L33 HydrophobicContact CD2-CB 3.54Å; F20-L33 HydrophobicContact CE2-CB 3.64Å; F20-L33 HydrophobicContact CG-CB 4.07Å; F20-L33 HydrophobicContact CG-CD1 4.23Å; F20-L33 HydrophobicContact CZ-CB 4.22Å; T24-L33 HydrophobicContact CG2-CD1 3.99Å; K29-L33 WeakPolarHBondContact O-CG 3.28Å; K29-L33 PolarHBondContact O-N 3.46Å; R30-L33 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 3.49Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.4Å |
| 34 | G | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R30 A31 A37 T38 | R30-G34 PolarHBondContact O-N 3.48Å; A31-G34 PolarHBondContact O-N 3.32Å; G34-A37 PolarHBondContact O-N 3.43Å; G34-T38 VanDerWaalsContact O-CG2 3.32Å; G34-T38 WeakPolarHBondContact O-CG2 3.32Å; G34-T38 PolarHBondContact O-N 3.42Å; G34-T38 PolarHBondContact O-OG1 3.21Å |
| 35 | G | 92.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 17% | 0.165 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A31 L32 A37 T38 I39 | A31-G35 PolarHBondContact O-N 3.32Å; L32-G35 PolarHBondContact O-N 2.89Å; G35-A37 PolarHBondContact O-N 2.97Å; G35-T38 WeakPolarHBondContact CA-OG1 3.5Å; G35-T38 PolarHBondContact O-N 3Å; G35-T38 PolarHBondContact O-OG1 2.9Å; G35-I39 WeakPolarHBondContact O-CG1 3.5Å; G35-I39 PolarHBondContact O-N 3.43Å |
| 36 | A | 92.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 73.7 Ų | 73.7 | 42% | 0.421 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L32 L33 T38 I39 L40 | L32-A36 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 3.49Å; A36-T38 PolarHBondContact O-N 3.21Å; A36-I39 PolarHBondContact O-N 2.9Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.42Å |
| 37 | A | 93.4 | Very high | 91.8 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 21% | 0.207 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L19 F20 L33 G34 G35 L40 A41 | L19-A37 HydrophobicContact CD1-CB 4.25Å; F20-A37 HydrophobicContact CE2-CB 4.22Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 3.4Å; G34-A37 PolarHBondContact O-N 3.43Å; G35-A37 PolarHBondContact O-N 2.97Å; A37-L40 PolarHBondContact O-N 3.41Å; A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.41Å |
| 38 | T | 90.6 | Very high | 92 | Very high | 33 Ų | 33 | 77.4 Ų | 77.4 | 20% | 0.202 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 113 | I11 V15 G34 G35 A36 K42 | I11-T38 HydrophobicContact CG2-CG2 4.17Å; V15-T38 HydrophobicContact CB-CG2 4.05Å; V15-T38 HydrophobicContact CG1-CG2 4.09Å; V15-T38 HydrophobicContact CG2-CG2 3.87Å; G34-T38 VanDerWaalsContact O-CG2 3.32Å; G34-T38 WeakPolarHBondContact O-CG2 3.32Å; G34-T38 PolarHBondContact O-N 3.42Å; G34-T38 PolarHBondContact O-OG1 3.21Å; G35-T38 WeakPolarHBondContact CA-OG1 3.5Å; G35-T38 PolarHBondContact O-N 3Å; G35-T38 PolarHBondContact O-OG1 2.9Å; A36-T38 PolarHBondContact O-N 3.21Å; T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.43Å; T38-K42 PolarHBondContact O-N 3.23Å |
| 39 | I | 91.8 | Very high | 92.1 | Very high | 123 Ų | 123 | 78.2 Ų | 78.2 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -46.1 | 175.2 | -67.6 | 167 | 0 | 0 | 0 | 110.3 | G35 A36 K42 G43 | G35-I39 WeakPolarHBondContact O-CG1 3.5Å; G35-I39 PolarHBondContact O-N 3.43Å; A36-I39 PolarHBondContact O-N 2.9Å; I39-K42 PolarHBondContact O-N 3.26Å; I39-G43 PolarHBondContact O-N 2.84Å |
| 40 | L | 93.9 | Very high | 92 | Very high | 122 Ų | 122 | 78.2 Ų | 78.2 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.6 | -49.6 | 177.3 | -72.4 | 172.3 | 0 | 0 | 0 | 111.6 | A36 A37 K42 G43 V44 | A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.17Å; L40-G43 PolarHBondContact O-N 3.3Å; L40-G43 VanDerWaalsContact O-N 3.15Å; L40-V44 WeakPolarHBondContact O-CG2 3.5Å; L40-V44 PolarHBondContact O-N 3.2Å |
| 41 | A | 91.8 | Very high | 91.9 | Very high | 54 Ų | 54 | 83.1 Ų | 83.1 | 45% | 0.446 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A37 G43 V44 C45 | A37-A41 VanDerWaalsContact O-CB 3.3Å; A37-A41 WeakPolarHBondContact O-CB 3.39Å; A37-A41 PolarHBondContact O-N 3.41Å; A41-G43 VanDerWaalsContact C-N 3.35Å; A41-G43 PolarHBondContact O-N 2.99Å; A41-V44 PolarHBondContact O-N 2.71Å; A41-C45 WeakPolarHBondContact O-CB 3.32Å; A41-C45 PolarHBondContact O-N 2.94Å; A41-C45 PolarHBondContact O-SG 3.47Å |
| 42 | K | 90.1 | Very high | 91.6 | Very high | 119 Ų | 119 | 84.6 Ų | 84.6 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.3 | -176 | -177.5 | 177.6 | -173.4 | 0 | 111.6 | T38 I39 L40 C45 V46 | T38-K42 VanDerWaalsContact O-CB 3.26Å; T38-K42 WeakPolarHBondContact O-CB 3.43Å; T38-K42 PolarHBondContact O-N 3.23Å; I39-K42 PolarHBondContact O-N 3.26Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.17Å; K42-C45 PolarHBondContact O-N 3.46Å; K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.78Å |
| 43 | G | 94.8 | Very high | 91.2 | Very high | 36 Ų | 36 | 85.1 Ų | 85.1 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I39 L40 A41 C45 V46 V47 | I39-G43 PolarHBondContact O-N 2.84Å; L40-G43 PolarHBondContact O-N 3.3Å; L40-G43 VanDerWaalsContact O-N 3.15Å; A41-G43 VanDerWaalsContact C-N 3.35Å; A41-G43 PolarHBondContact O-N 2.99Å; G43-C45 PolarHBondContact O-N 2.88Å; G43-V46 PolarHBondContact O-N 3.38Å; G43-V47 WeakPolarHBondContact O-CG2 3.39Å; G43-V47 PolarHBondContact O-N 2.96Å |
| 44 | V | 95.9 | Very high | 90.7 | Very high | 103 Ų | 103 | 85 Ų | 85 | 62% | 0.624 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.8 | -46.2 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L40 A41 V46 V47 Y48 | L40-V44 WeakPolarHBondContact O-CG2 3.5Å; L40-V44 PolarHBondContact O-N 3.2Å; A41-V44 PolarHBondContact O-N 2.71Å; V44-V46 PolarHBondContact O-N 3.37Å; V44-V47 PolarHBondContact O-N 2.91Å; V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 2.71Å |
| 45 | C | 92.2 | Very high | 90 | Very high | 62 Ų | 62 | 86.2 Ų | 86.2 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 177 | -72 | 0 | 0 | 0 | 0 | 112 | A41 K42 G43 Y48 Y49 | A41-C45 WeakPolarHBondContact O-CB 3.32Å; A41-C45 PolarHBondContact O-N 2.94Å; A41-C45 PolarHBondContact O-SG 3.47Å; K42-C45 PolarHBondContact O-N 3.46Å; G43-C45 PolarHBondContact O-N 2.88Å; C45-Y48 WeakPolarHBondContact O-CB 3.28Å; C45-Y48 PolarHBondContact O-N 2.96Å; C45-Y49 HydrophobicContact CB-CD2 4.34Å; C45-Y49 HydrophobicContact CB-CE2 4.16Å; C45-Y49 WeakPolarHBondContact O-CD2 3.22Å; C45-Y49 PolarHBondContact O-N 3.39Å |
| 46 | V | 94.4 | Very high | 89.1 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 179.4 | 170 | 0 | 0 | 0 | 0 | 111.7 | K42 G43 V44 Y48 Y49 K50 | K42-V46 WeakPolarHBondContact O-CG2 3.43Å; K42-V46 PolarHBondContact O-N 2.78Å; G43-V46 PolarHBondContact O-N 3.38Å; V44-V46 PolarHBondContact O-N 3.37Å; V46-Y48 VanDerWaalsContact C-N 3.31Å; V46-Y48 PolarHBondContact O-N 3.37Å; V46-Y49 PolarHBondContact O-N 3.23Å; V46-K50 WeakPolarHBondContact O-CB 3.35Å; V46-K50 PolarHBondContact O-N 3.23Å |
| 47 | V | 94 | Very high | 88.2 | Confident | 103 Ų | 103 | 95.4 Ų | 95.4 | 62% | 0.624 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | G43 V44 K50 Y51 | G43-V47 WeakPolarHBondContact O-CG2 3.39Å; G43-V47 PolarHBondContact O-N 2.96Å; V44-V47 PolarHBondContact O-N 2.91Å; V47-K50 PolarHBondContact O-N 3.43Å; V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 2.96Å |
| 48 | Y | 92.3 | Very high | 86.9 | Confident | 143 Ų | 143 | 102.1 Ų | 102.1 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176.3 | 178.6 | -96.5 | 0 | 0 | 0 | 112.4 | V44 C45 V46 Y51 N52 | V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 2.71Å; C45-Y48 WeakPolarHBondContact O-CB 3.28Å; C45-Y48 PolarHBondContact O-N 2.96Å; V46-Y48 VanDerWaalsContact C-N 3.31Å; V46-Y48 PolarHBondContact O-N 3.37Å; Y48-Y51 PolarHBondContact O-N 2.91Å; Y48-N52 WeakPolarHBondContact O-CB 3.42Å; Y48-N52 PolarHBondContact O-N 3.29Å |
| 49 | Y | 90.4 | Very high | 85.5 | Confident | 156 Ų | 156 | 106.7 Ų | 106.7 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 177.1 | -77.4 | -62.7 | 0 | 0 | 0 | 112 | C45 V46 Y51 N52 Q53 | C45-Y49 HydrophobicContact CB-CD2 4.34Å; C45-Y49 HydrophobicContact CB-CE2 4.16Å; C45-Y49 WeakPolarHBondContact O-CD2 3.22Å; C45-Y49 PolarHBondContact O-N 3.39Å; V46-Y49 PolarHBondContact O-N 3.23Å; Y49-Y51 VanDerWaalsContact C-N 3.35Å; Y49-N52 PolarHBondContact O-N 2.91Å; Y49-Q53 WeakPolarHBondContact O-CB 3.42Å; Y49-Q53 PolarHBondContact O-N 3.42Å |
| 50 | K | 88.3 | Confident | 84.2 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.6 | -176.3 | 174.7 | -179.9 | 177.1 | 0 | 111.2 | V46 V47 Q53 I54 | V46-K50 WeakPolarHBondContact O-CB 3.35Å; V46-K50 PolarHBondContact O-N 3.23Å; V47-K50 PolarHBondContact O-N 3.43Å; K50-Q53 PolarHBondContact O-N 3.35Å; K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 HydrophobicContact CG-CG1 4.49Å; K50-I54 WeakPolarHBondContact O-CB 3.35Å; K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.46Å; K50-I54 PolarHBondContact O-N 3.46Å |
| 51 | Y | 87.6 | Confident | 83 | Confident | 160 Ų | 160 | 103.8 Ų | 103.8 | 63% | 0.627 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -47.5 | 174.4 | 175.7 | -96.8 | 0 | 0 | 0 | 111.4 | V47 Y48 Y49 Q53 I54 S55 | V47-Y51 WeakPolarHBondContact O-CB 3.4Å; V47-Y51 PolarHBondContact O-N 2.96Å; Y48-Y51 PolarHBondContact O-N 2.91Å; Y49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.37Å; Y51-I54 PolarHBondContact O-N 3.48Å; Y51-S55 WeakPolarHBondContact O-CB 3.32Å; Y51-S55 PolarHBondContact O-N 3.42Å |
| 52 | N | 83.2 | Confident | 81.6 | Confident | 60 Ų | 60 | 108.1 Ų | 108.1 | 32% | 0.321 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.8 | -166.8 | 47.2 | 0 | 0 | 0 | 111.8 | Y48 Y49 S55 R56 | Y48-N52 WeakPolarHBondContact O-CB 3.42Å; Y48-N52 PolarHBondContact O-N 3.29Å; Y49-N52 PolarHBondContact O-N 2.91Å; N52-S55 PolarHBondContact O-N 3.47Å; N52-R56 VanDerWaalsContact O-CG 3.31Å; N52-R56 WeakPolarHBondContact O-CG 3.34Å; N52-R56 PolarHBondContact O-N 2.92Å |
| 53 | Q | 83 | Confident | 79.9 | Confident | 140 Ų | 140 | 108.6 Ų | 108.6 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -46.3 | 175.8 | -170.6 | 177.7 | 19.6 | 0 | 0 | 111.7 | Y49 K50 Y51 S55 R56 S57 | Y49-Q53 WeakPolarHBondContact O-CB 3.42Å; Y49-Q53 PolarHBondContact O-N 3.42Å; K50-Q53 PolarHBondContact O-N 3.35Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 3.37Å; Q53-S55 VanDerWaalsContact C-N 3.32Å; Q53-S55 PolarHBondContact O-N 2.92Å; Q53-R56 PolarHBondContact O-N 3.37Å; Q53-S57 PolarHBondContact O-N 3.43Å |
| 54 | I | 81 | Confident | 78.4 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 38% | 0.379 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.7 | -40.5 | 174.8 | -68.2 | 166.9 | 0 | 0 | 0 | 110.5 | K50 Y51 R56 S57 R58 | K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 HydrophobicContact CG-CG1 4.49Å; K50-I54 WeakPolarHBondContact O-CB 3.35Å; K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.46Å; K50-I54 PolarHBondContact O-N 3.46Å; Y51-I54 PolarHBondContact O-N 3.48Å; I54-R56 VanDerWaalsContact C-N 3.25Å; I54-R56 PolarHBondContact O-N 3.28Å; I54-S57 WeakPolarHBondContact CA-OG 3.3Å; I54-S57 PolarHBondContact O-N 3.35Å; I54-S57 PolarHBondContact O-OG 3Å; I54-S57 VanDerWaalsContact O-OG 3.06Å; I54-R58 HydrophobicContact CG2-CG 4.07Å; I54-R58 WeakPolarHBondContact O-CB 3.37Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 2.87Å |
| 55 | S | 76.1 | Confident | 76.1 | Confident | 25 Ų | 25 | 117.3 Ų | 117.3 | 18% | 0.175 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -61.4 | -36.3 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | Y51 N52 Q53 N59 | Y51-S55 WeakPolarHBondContact O-CB 3.32Å; Y51-S55 PolarHBondContact O-N 3.42Å; N52-S55 PolarHBondContact O-N 3.47Å; Q53-S55 VanDerWaalsContact C-N 3.32Å; Q53-S55 PolarHBondContact O-N 2.92Å; S55-N59 PolarHBondContact O-N 3.39Å |
| 56 | R | 73.6 | Confident | 74.6 | Confident | 191 Ų | 191 | 120.1 Ų | 120.1 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.7 | -41.9 | 175.4 | -69.4 | 176.8 | 79.5 | 176.6 | 6.3 | 111.9 | N52 Q53 I54 N59 | N52-R56 VanDerWaalsContact O-CG 3.31Å; N52-R56 WeakPolarHBondContact O-CG 3.34Å; N52-R56 PolarHBondContact O-N 2.92Å; Q53-R56 PolarHBondContact O-N 3.37Å; I54-R56 VanDerWaalsContact C-N 3.25Å; I54-R56 PolarHBondContact O-N 3.28Å; R56-N59 PolarHBondContact O-N 3.05Å |
| 57 | S | 72.8 | Confident | 72.5 | Confident | 70 Ų | 70 | 123 Ų | 123 | 49% | 0.49 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.9 | -30.5 | 177.8 | 68.1 | 0 | 0 | 0 | 0 | 113 | Q53 I54 N59 S60 | Q53-S57 PolarHBondContact O-N 3.43Å; I54-S57 WeakPolarHBondContact CA-OG 3.3Å; I54-S57 PolarHBondContact O-N 3.35Å; I54-S57 PolarHBondContact O-OG 3Å; I54-S57 VanDerWaalsContact O-OG 3.06Å; S57-N59 PolarHBondContact O-N 3.41Å; S57-S60 PolarHBondContact O-N 2.9Å; S57-S60 VanDerWaalsContact O-N 3.16Å; S57-S60 PolarHBondContact O-OG 3.47Å |
| 58 | R | 66.6 | Low | 70.3 | Confident | 166 Ų | 166 | 125.8 Ų | 125.8 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.9 | -27.4 | 174.8 | -75.7 | -179 | 71.9 | 140.6 | 4.5 | 113.2 | I54 S60 | I54-R58 HydrophobicContact CG2-CG 4.07Å; I54-R58 WeakPolarHBondContact O-CB 3.37Å; I54-R58 VanDerWaalsContact O-CG 3.27Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 2.87Å; R58-S60 VanDerWaalsContact C-N 3.32Å |
| 59 | N | 62.3 | Low | 68.2 | Low | 128 Ų | 128 | 126.2 Ų | 126.2 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -1.2 | 175.9 | -68.8 | -12.4 | 0 | 0 | 0 | 112.8 | S55 R56 S57 I61 | S55-N59 PolarHBondContact O-N 3.39Å; R56-N59 PolarHBondContact O-N 3.05Å; S57-N59 PolarHBondContact O-N 3.41Å; N59-I61 VanDerWaalsContact C-N 3.34Å; N59-I61 PolarHBondContact O-N 3.15Å |
| 60 | S | 63.8 | Low | 66.1 | Low | 79 Ų | 79 | 127.1 Ų | 127.1 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -73.4 | 95.2 | 168.2 | 70 | 0 | 0 | 0 | 0 | 108.3 | S57 R58 I62 | S57-S60 PolarHBondContact O-N 2.9Å; S57-S60 VanDerWaalsContact O-N 3.16Å; S57-S60 PolarHBondContact O-OG 3.47Å; R58-S60 VanDerWaalsContact C-N 3.32Å; S60-I62 PolarHBondContact O-N 3.26Å | ||
| 61 | I | 67.9 | Low | 64.1 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 54% | 0.544 | 63% | 0.632 | S | S | . | * | trans | -62.4 | 117.8 | 164.5 | -76.7 | 170.8 | 0 | 0 | 0 | 106.7 | N59 L63 | N59-I61 VanDerWaalsContact C-N 3.34Å; N59-I61 PolarHBondContact O-N 3.15Å; I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CG 4.48Å; I61-L63 PolarHBondContact O-N 3.36Å | ||
| 62 | I | 63.4 | Low | 62.3 | Low | 144 Ų | 144 | 127.5 Ų | 127.5 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -68.2 | 98.2 | 165.2 | -58.6 | 172.3 | 0 | 0 | 0 | 104.8 | S60 N64 | S60-I62 PolarHBondContact O-N 3.26Å; I62-N64 PolarHBondContact O-N 3.44Å; I62-N64 VanDerWaalsContact O-N 3.15Å | ||
| 63 | L | 55.2 | Low | 60.8 | Low | 130 Ų | 130 | 130.2 Ų | 130.2 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -61.6 | 114.2 | 161.1 | -71.6 | 165.1 | 0 | 0 | 0 | 104.6 | I61 F65 | I61-L63 VanDerWaalsContact C-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.49Å; I61-L63 HydrophobicContact CG2-CG 4.48Å; I61-L63 PolarHBondContact O-N 3.36Å; L63-F65 PolarHBondContact O-N 2.85Å | ||
| 64 | N | 61.5 | Low | 59.1 | Low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 113.9 | 165.1 | -64.4 | -51.8 | 0 | 0 | 0 | 105.1 | I62 D66 | I62-N64 PolarHBondContact O-N 3.44Å; I62-N64 VanDerWaalsContact O-N 3.15Å; N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact O-N 3.34Å | ||
| 65 | F | 49.5 | Very low | 57.6 | Low | 185 Ų | 185 | 137 Ų | 137 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -66.4 | 107.4 | 164.1 | -73.9 | -89.1 | 0 | 0 | 0 | 104.1 | L63 D67 | L63-F65 PolarHBondContact O-N 2.85Å; F65-D67 PolarHBondContact O-N 3.3Å; F65-D67 VanDerWaalsContact O-N 3.11Å | ||
| 66 | D | 58.8 | Low | 56.3 | Low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | trans | -61.9 | 113.4 | 164.3 | -70.4 | -42.8 | 0 | 0 | 0 | 105.5 | N64 F68 | N64-D66 VanDerWaalsContact C-N 3.34Å; N64-D66 PolarHBondContact O-N 3.34Å; D66-F68 HydrophobicContact CB-CD2 3.57Å; D66-F68 HydrophobicContact CB-CE2 3.29Å; D66-F68 HydrophobicContact CB-CZ 4.25Å; D66-F68 PolarHBondContact O-N 2.85Å | ||
| 67 | D | 51.3 | Low | 55.3 | Low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | -62.4 | 85.9 | 168.3 | -66.9 | -46.5 | 0 | 0 | 0 | 107.9 | F65 | F65-D67 PolarHBondContact O-N 3.3Å; F65-D67 VanDerWaalsContact O-N 3.11Å | ||
| 68 | F | 46.7 | Very low | 54.3 | Low | 161 Ų | 161 | 145.9 Ų | 145.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -93.9 | 108.8 | 151.9 | -61.4 | -84.9 | 0 | 0 | 0 | 103.3 | D66 | D66-F68 HydrophobicContact CB-CD2 3.57Å; D66-F68 HydrophobicContact CB-CE2 3.29Å; D66-F68 HydrophobicContact CB-CZ 4.25Å; D66-F68 PolarHBondContact O-N 2.85Å | ||
| 69 | D | 49 | Very low | 53.5 | Low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | cis | -154 | 103.2 | 45.7 | -62.3 | -68.3 | 0 | 0 | 0 | 109.4 | ||||
| 70 | E | 45.8 | Very low | 53.1 | Low | 175 Ų | 175 | 144.7 Ų | 144.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -83 | 113 | 164.3 | -84.5 | -84.1 | 139.3 | 0 | 0 | 109.1 | ||||
| 71 | E | 47.4 | Very low | 53.1 | Low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -58.8 | 136.7 | 160.3 | -76.4 | -136.7 | 152.6 | 0 | 0 | 110.3 | C73 | E71-C73 PolarHBondContact O-N 2.82Š| ||
| 72 | P | 50.3 | Low | 52.5 | Low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -83.5 | 83.4 | -164 | 33.5 | -35.3 | 0 | 0 | 0 | 111.7 | ||
| 73 | C | 50.6 | Low | 52.4 | Low | 116 Ų | 116 | 150.2 Ų | 150.2 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -111.5 | -10.8 | 176.7 | -87.7 | 0 | 0 | 0 | 0 | 117.3 | E71 | E71-C73 PolarHBondContact O-N 2.82Š|
| 74 | C | 47.6 | Very low | 52.7 | Low | 116 Ų | 116 | 152.9 Ų | 152.9 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -154.1 | 97.6 | 167.1 | -95.3 | 0 | 0 | 0 | 0 | 111.4 | Q76 | C74-Q76 PolarHBondContact O-N 3.32Š| ||
| 75 | R | 50 | Low | 53 | Low | 242 Ų | 242 | 151.6 Ų | 151.6 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -65 | 77.8 | 161.4 | -71.2 | -173 | -163.8 | 175.4 | 4.7 | 109.2 | V77 | R75-V77 PolarHBondContact O-N 3.38Š| ||
| 76 | Q | 48.7 | Very low | 53.8 | Low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -76.3 | 104.5 | 147.7 | -68.5 | -169 | -5 | 0 | 0 | 105 | C74 M78 | C74-Q76 PolarHBondContact O-N 3.32Å; Q76-M78 PolarHBondContact O-N 2.81Å | ||
| 77 | V | 51.6 | Low | 53.9 | Low | 119 Ų | 119 | 148.5 Ų | 148.5 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -51.6 | 105.2 | 171.7 | 177.5 | 0 | 0 | 0 | 0 | 106.6 | R75 E79 | R75-V77 PolarHBondContact O-N 3.38Å; V77-E79 HydrophobicContact CG1-CG 4.21Å; V77-E79 PolarHBondContact O-N 3.39Å | ||
| 78 | M | 52.6 | Low | 54.7 | Low | 181 Ų | 181 | 148.3 Ų | 148.3 | 89% | 0.892 | 74% | 0.736 | S | S | * | * | trans | -67.8 | 93.7 | 166.8 | -71.2 | -156 | 84.8 | 0 | 0 | 106.2 | Q76 P80 | Q76-M78 PolarHBondContact O-N 2.81Å; M78-P80 WeakPolarHBondContact O-CD 3.35Å | ||
| 79 | E | 49.9 | Very low | 56.1 | Low | 138 Ų | 138 | 141.8 Ų | 141.8 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | trans | -67.1 | 118.4 | 165.2 | -76.2 | -169.4 | 156 | 0 | 0 | 107.5 | V77 K81 | V77-E79 HydrophobicContact CG1-CG 4.21Å; V77-E79 PolarHBondContact O-N 3.39Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å | ||
| 80 | P | 54.3 | Low | 57.5 | Low | 132 Ų | 132 | 141.4 Ų | 141.4 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | -65.5 | 93.3 | 174.3 | 25.4 | -31.5 | 0 | 0 | 0 | 109.1 | M78 | M78-P80 WeakPolarHBondContact O-CD 3.35Š| ||
| 81 | K | 62.6 | Low | 59.1 | Low | 136 Ų | 136 | 140 Ų | 140 | 59% | 0.591 | 70% | 0.695 | S | S | * | * | trans | -81.9 | 118.5 | 170.8 | -81.7 | 179.7 | -179.1 | 173.4 | 0 | 108.6 | E79 F83 | E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.48Å; K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 HydrophobicContact CB-CD2 3.83Å; K81-F83 HydrophobicContact CB-CE1 4.43Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CZ 3.68Å; K81-F83 HydrophobicContact CD-CE1 4.47Å; K81-F83 HydrophobicContact CD-CE2 4.24Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE2 4.39Å; K81-F83 HydrophobicContact CG-CZ 4.35Å; K81-F83 VanDerWaalsContact O-CD2 3.23Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 PolarHBondContact O-N 3.33Å | ||
| 82 | K | 55.5 | Low | 60.6 | Low | 182 Ų | 182 | 135.5 Ų | 135.5 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -68.3 | 91.7 | 167.4 | -70.5 | -177.2 | -179.2 | 178.3 | 0 | 108.5 | F84 | K82-F84 HydrophobicContact CB-CE2 4.15Å; K82-F84 PolarHBondContact O-N 3.42Å | ||
| 83 | F | 61.4 | Low | 61.7 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 55% | 0.553 | 66% | 0.657 | S | S | * | * | trans | -82.9 | 109.4 | 169.6 | -66.5 | -80.2 | 0 | 0 | 0 | 108.9 | K81 Y85 | K81-F83 VanDerWaalsContact C-N 3.31Å; K81-F83 HydrophobicContact CB-CD2 3.83Å; K81-F83 HydrophobicContact CB-CE1 4.43Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CZ 3.68Å; K81-F83 HydrophobicContact CD-CE1 4.47Å; K81-F83 HydrophobicContact CD-CE2 4.24Å; K81-F83 HydrophobicContact CD-CZ 3.75Å; K81-F83 HydrophobicContact CG-CE2 4.39Å; K81-F83 HydrophobicContact CG-CZ 4.35Å; K81-F83 VanDerWaalsContact O-CD2 3.23Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 PolarHBondContact O-N 3.33Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 HydrophobicContact CB-CD2 3.68Å; F83-Y85 HydrophobicContact CB-CE1 4.38Å; F83-Y85 HydrophobicContact CB-CE2 3.12Å; F83-Y85 HydrophobicContact CD2-CE2 4.47Å; F83-Y85 AromaticContact CG-CE2 3.92Å; F83-Y85 HydrophobicContact CG-CE2 3.92Å; F83-Y85 AromaticContact CG-CZ 3.93Å; F83-Y85 PolarHBondContact O-N 3.36Å; F83-Y85 VanDerWaalsContact O-N 3.07Å | ||
| 84 | F | 61.3 | Low | 62.9 | Low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 65% | 0.651 | S | S | * | * | trans | -77.8 | 89.8 | 171.1 | -69.5 | -87.3 | 0 | 0 | 0 | 108.6 | K82 | K82-F84 HydrophobicContact CB-CE2 4.15Å; K82-F84 PolarHBondContact O-N 3.42Å | ||
| 85 | Y | 67.2 | Low | 64 | Low | 108 Ų | 108 | 131 Ų | 131 | 42% | 0.424 | 63% | 0.631 | S | S | . | * | trans | -84.6 | 132.6 | 171.7 | -66.7 | -71.7 | 0 | 0 | 0 | 110 | F83 F91 F92 | F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 HydrophobicContact CB-CD2 3.68Å; F83-Y85 HydrophobicContact CB-CE1 4.38Å; F83-Y85 HydrophobicContact CB-CE2 3.12Å; F83-Y85 HydrophobicContact CD2-CE2 4.47Å; F83-Y85 AromaticContact CG-CE2 3.92Å; F83-Y85 HydrophobicContact CG-CE2 3.92Å; F83-Y85 AromaticContact CG-CZ 3.93Å; F83-Y85 PolarHBondContact O-N 3.36Å; F83-Y85 VanDerWaalsContact O-N 3.07Å; Y85-F91 HydrophobicContact CD1-CB 4.41Å; Y85-F91 HydrophobicContact CD2-CD1 4.31Å; Y85-F92 HydrophobicContact CG-CE2 4.36Å | ||
| 86 | F | 67.5 | Low | 64.8 | Low | 166 Ų | 166 | 121.3 Ų | 121.3 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -65 | 149.8 | 169.7 | -69 | -80.4 | 0 | 0 | 0 | 109.9 | D88 S89 F92 | F86-D88 PolarHBondContact O-N 3.2Å; F86-D88 VanDerWaalsContact O-N 3.08Å; F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.5Å; F86-S89 PolarHBondContact O-OG 2.98Å; F86-F92 VanDerWaalsContact O-CD2 3.31Å; F86-F92 WeakPolarHBondContact O-CD2 3.36Å | ||
| 87 | P | 60.6 | Low | 65.8 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 49% | 0.494 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.2 | -31.9 | 178.6 | -26.2 | 34.2 | 0 | 0 | 0 | 113.5 | S89 N96 | P87-S89 VanDerWaalsContact C-N 3.33Å; P87-N96 PolarHBondContact O-ND2 3.03Å |
| 88 | D | 67.7 | Low | 66.6 | Low | 143 Ų | 143 | 122 Ų | 122 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 7.9 | -180 | -54.5 | -35.1 | 0 | 0 | 0 | 113.6 | F86 | F86-D88 PolarHBondContact O-N 3.2Å; F86-D88 VanDerWaalsContact O-N 3.08Å |
| 89 | S | 76.7 | Confident | 67 | Low | 24 Ų | 24 | 117.7 Ų | 117.7 | 17% | 0.168 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -63.9 | 151.6 | 179.5 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | F86 P87 F91 F92 K93 | F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.5Å; F86-S89 PolarHBondContact O-OG 2.98Å; P87-S89 VanDerWaalsContact C-N 3.33Å; S89-F91 PolarHBondContact O-N 2.82Å; S89-F92 PolarHBondContact O-N 3.06Å; S89-F92 WeakPolarHBondContact OG-CD2 3.49Å; S89-K93 PolarHBondContact O-N 3.26Å |
| 90 | E | 78.4 | Confident | 67.4 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 67% | 0.673 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -54.4 | -35.9 | 178.3 | -171.5 | 139.1 | -115.4 | 0 | 0 | 113 | F92 K93 | E90-F92 PolarHBondContact O-N 3.38Å; E90-K93 HydrophobicContact CB-CD 4.34Å; E90-K93 HydrophobicContact CG-CD 4.14Å; E90-K93 WeakPolarHBondContact O-CB 3.42Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 2.74Å; E90-K93 PolarHBondContact OE1-NZ 2.9Å |
| 91 | F | 80.2 | Confident | 67 | Low | 145 Ų | 145 | 112.3 Ų | 112.3 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.8 | -34.3 | 175.1 | -178.6 | -100.9 | 0 | 0 | 0 | 113.2 | Y85 S89 | Y85-F91 HydrophobicContact CD1-CB 4.41Å; Y85-F91 HydrophobicContact CD2-CD1 4.31Å; S89-F91 PolarHBondContact O-N 2.82Å |
| 92 | F | 77.3 | Confident | 66.4 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 31% | 0.311 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -97.7 | -1.8 | 179.5 | -58.2 | -59.8 | 0 | 0 | 0 | 113.9 | Y85 F86 S89 E90 D94 G95 N96 | Y85-F92 HydrophobicContact CG-CE2 4.36Å; F86-F92 VanDerWaalsContact O-CD2 3.31Å; F86-F92 WeakPolarHBondContact O-CD2 3.36Å; S89-F92 PolarHBondContact O-N 3.06Å; S89-F92 WeakPolarHBondContact OG-CD2 3.49Å; E90-F92 PolarHBondContact O-N 3.38Å; F92-D94 PolarHBondContact O-N 3.42Å; F92-G95 PolarHBondContact O-N 2.8Å; F92-N96 WeakPolarHBondContact O-CB 3.47Å; F92-N96 PolarHBondContact O-N 3.03Å; F92-N96 PolarHBondContact O-ND2 2.89Å |
| 93 | K | 73.4 | Confident | 65.9 | Low | 101 Ų | 101 | 111.4 Ų | 111.4 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.4 | -51.4 | -174 | -82.2 | 178.4 | -171.7 | 172.9 | 0 | 112.5 | S89 E90 G95 N96 E97 | S89-K93 PolarHBondContact O-N 3.26Å; E90-K93 HydrophobicContact CB-CD 4.34Å; E90-K93 HydrophobicContact CG-CD 4.14Å; E90-K93 WeakPolarHBondContact O-CB 3.42Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 2.74Å; E90-K93 PolarHBondContact OE1-NZ 2.9Å; K93-G95 PolarHBondContact O-N 2.98Å; K93-N96 PolarHBondContact O-N 2.83Å; K93-E97 WeakPolarHBondContact O-CB 3.33Å; K93-E97 PolarHBondContact O-N 3Å |
| 94 | D | 75.9 | Confident | 65.1 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 66% | 0.658 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -44.8 | -178.2 | -64.1 | -1.8 | 0 | 0 | 0 | 111.4 | F92 E97 L98 | F92-D94 PolarHBondContact O-N 3.42Å; D94-E97 PolarHBondContact O-N 3.3Å; D94-L98 WeakPolarHBondContact O-CB 3.2Å; D94-L98 WeakPolarHBondContact O-CD1 3.39Å; D94-L98 VanDerWaalsContact O-CG 3.27Å; D94-L98 WeakPolarHBondContact O-CG 3.08Å; D94-L98 PolarHBondContact O-N 2.78Å |
| 95 | G | 70.3 | Confident | 64.3 | Low | 36 Ų | 36 | 106.4 Ų | 106.4 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F92 K93 C99 | F92-G95 PolarHBondContact O-N 2.8Å; K93-G95 PolarHBondContact O-N 2.98Å; G95-C99 VanDerWaalsContact O-CB 3.22Å; G95-C99 WeakPolarHBondContact O-CB 3.34Å; G95-C99 PolarHBondContact O-N 3.25Å |
| 96 | N | 67.7 | Low | 63.1 | Low | 38 Ų | 38 | 107.6 Ų | 107.6 | 20% | 0.203 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -70.1 | -36.1 | 178.3 | -72.6 | -16.5 | 0 | 0 | 0 | 112.3 | P87 F92 K93 C100 | P87-N96 PolarHBondContact O-ND2 3.03Å; F92-N96 WeakPolarHBondContact O-CB 3.47Å; F92-N96 PolarHBondContact O-N 3.03Å; F92-N96 PolarHBondContact O-ND2 2.89Å; K93-N96 PolarHBondContact O-N 2.83Å; N96-C100 WeakPolarHBondContact O-CA 3.31Å; N96-C100 PolarHBondContact O-N 3.16Å |
| 97 | E | 69.6 | Low | 62 | Low | 159 Ų | 159 | 103.8 Ų | 103.8 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.4 | -46.4 | 175.2 | -170.6 | 170.3 | -175.3 | 0 | 0 | 110.8 | K93 D94 | K93-E97 WeakPolarHBondContact O-CB 3.33Å; K93-E97 PolarHBondContact O-N 3Å; D94-E97 PolarHBondContact O-N 3.3Å |
| 98 | L | 68.9 | Low | 60.9 | Low | 145 Ų | 145 | 107.7 Ų | 107.7 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.2 | -45.7 | 175.2 | -75.1 | 165.7 | 0 | 0 | 0 | 112.5 | D94 | D94-L98 WeakPolarHBondContact O-CB 3.2Å; D94-L98 WeakPolarHBondContact O-CD1 3.39Å; D94-L98 VanDerWaalsContact O-CG 3.27Å; D94-L98 WeakPolarHBondContact O-CG 3.08Å; D94-L98 PolarHBondContact O-N 2.78Å |
| 99 | C | 60 | Low | 59.8 | Low | 91 Ų | 91 | 111.8 Ų | 111.8 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -94.4 | -0.5 | -171.8 | -69.7 | 0 | 0 | 0 | 0 | 114.8 | G95 L101 | G95-C99 VanDerWaalsContact O-CB 3.22Å; G95-C99 WeakPolarHBondContact O-CB 3.34Å; G95-C99 PolarHBondContact O-N 3.25Å; C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 HydrophobicContact CB-CD1 4.3Å; C99-L101 PolarHBondContact O-N 2.98Å |
| 100 | C | 58 | Low | 58 | Low | 85 Ų | 85 | 119 Ų | 119 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 44.8 | 54.6 | -179.5 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | N96 R102 | N96-C100 WeakPolarHBondContact O-CA 3.31Å; N96-C100 PolarHBondContact O-N 3.16Å; C100-R102 PolarHBondContact O-N 3.15Å |
| 101 | L | 47.1 | Very low | 56.3 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 38% | 0.382 | 61% | 0.614 | S | S | . | * | trans | -63.7 | 24.6 | -162.8 | -146.7 | 103.6 | 0 | 0 | 0 | 116.9 | C99 S103 | C99-L101 VanDerWaalsContact C-N 3.31Å; C99-L101 HydrophobicContact CB-CD1 4.3Å; C99-L101 PolarHBondContact O-N 2.98Å; L101-S103 PolarHBondContact O-N 2.96Å | ||
| 102 | R | 48.8 | Very low | 54.3 | Low | 222 Ų | 222 | 119.2 Ų | 119.2 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -8.6 | 176.9 | -153 | 177.9 | -66.2 | -91.4 | -0.1 | 113.3 | C100 | C100-R102 PolarHBondContact O-N 3.15Š|
| 103 | S | 46.7 | Very low | 52.5 | Low | 77 Ų | 77 | 121 Ų | 121 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -8.9 | -177.2 | 66.6 | 0 | 0 | 0 | 0 | 116.1 | L101 | L101-S103 PolarHBondContact O-N 2.96Š|
| 104 | V | 43.1 | Very low | 50.8 | Low | 77 Ų | 77 | 123.1 Ų | 123.1 | 47% | 0.467 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -94 | -6.5 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | C106 A107 | V104-C106 PolarHBondContact O-N 2.79Å; V104-A107 PolarHBondContact O-N 3.07Å |
| 105 | L | 46.1 | Very low | 49 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -63.6 | -8.4 | 172.1 | -78.1 | 163.3 | 0 | 0 | 0 | 114 | A107 | L105-A107 VanDerWaalsContact C-N 3.33Š|
| 106 | C | 40.5 | Very low | 47.7 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 89% | 0.892 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.8 | -5.6 | 170.2 | -73.6 | 0 | 0 | 0 | 0 | 114.7 | V104 | V104-C106 PolarHBondContact O-N 2.79Š|
| 107 | A | 44.7 | Very low | 46.5 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -109.1 | -2.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V104 L105 | V104-A107 PolarHBondContact O-N 3.07Å; L105-A107 VanDerWaalsContact C-N 3.33Å |
| 108 | K | 38.2 | Very low | 45 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -142.3 | 64.3 | -175.2 | -153.6 | 178.7 | -174.4 | -170.6 | 0 | 113.5 | L111 | K108-L111 VanDerWaalsContact CE-CD1 3.49Š| ||
| 109 | R | 43.3 | Very low | 44.1 | Very low | 230 Ų | 230 | 128.8 Ų | 128.8 | 87% | 0.868 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -94.7 | -15.4 | 165.5 | -172.7 | 166.7 | -176 | -140.3 | -1.8 | 114.4 | ||
| 110 | E | 40.2 | Very low | 43.6 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -133.3 | 74.8 | -173 | -68.1 | 178.1 | -173.1 | 0 | 0 | 111.8 | ||||
| 111 | L | 41.3 | Very low | 43.6 | Very low | 134 Ų | 134 | 132 Ų | 132 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | trans | -124.5 | 63.9 | 158.8 | -102.9 | 167.2 | 0 | 0 | 0 | 107.9 | K108 | K108-L111 VanDerWaalsContact CE-CD1 3.49Š| ||
| 112 | L | 39.9 | Very low | 44.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | -139.5 | 104.1 | 162.3 | -77 | 179.1 | 0 | 0 | 0 | 108.8 | ||||
| 113 | V | 39.2 | Very low | 45.9 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | trans | 70.4 | 107.3 | 154.4 | -148.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | D | 38 | Very low | 47.4 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | -146.8 | 135.2 | 83.7 | -80 | -37.7 | 0 | 0 | 0 | 114.7 | L116 | D114-L116 PolarHBondContact O-N 3.11Å; D114-L116 VanDerWaalsContact O-N 3.12Å | |||
| 115 | N | 37.8 | Very low | 49.3 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -66.4 | 98.9 | 161.6 | -69.4 | -75.6 | 0 | 0 | 0 | 109 | ||||
| 116 | L | 42.2 | Very low | 51 | Low | 144 Ų | 144 | 126.3 Ų | 126.3 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -127.8 | 111.6 | 161.2 | -124.9 | 84.8 | 0 | 0 | 0 | 109.5 | D114 C118 | D114-L116 PolarHBondContact O-N 3.11Å; D114-L116 VanDerWaalsContact O-N 3.12Å; L116-C118 PolarHBondContact O-N 2.95Å | ||
| 117 | P | 42.4 | Very low | 52.8 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | -77.4 | 93.6 | 171.8 | 30.8 | -28.1 | 0 | 0 | 0 | 107.6 | ||||
| 118 | C | 39.5 | Very low | 54.3 | Low | 74 Ų | 74 | 127.4 Ų | 127.4 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | trans | -110.6 | 102.8 | 160.3 | -156.8 | 0 | 0 | 0 | 0 | 107.5 | L116 K120 | L116-C118 PolarHBondContact O-N 2.95Å; C118-K120 PolarHBondContact O-N 3.25Å | ||
| 119 | A | 49.4 | Very low | 55.9 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 93% | 0.934 | 66% | 0.664 | S | S | * | * | trans | -68.7 | 55.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 120 | K | 49.6 | Very low | 57.4 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -105.7 | 120.3 | 166.6 | -69.4 | -179.7 | -176.1 | 179.6 | 0 | 105.6 | C118 R122 | C118-K120 PolarHBondContact O-N 3.25Å; K120-R122 PolarHBondContact O-N 3.21Å |
| 121 | S | 57 | Low | 59.2 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | trans | -33.3 | 108.3 | 166 | 34.8 | 0 | 0 | 0 | 0 | 108.9 | Q123 | S121-Q123 VanDerWaalsContact C-N 3.26Å; S121-Q123 PolarHBondContact O-N 2.86Å | ||
| 122 | R | 67.3 | Low | 61.3 | Low | 184 Ų | 184 | 109.2 Ų | 109.2 | 69% | 0.694 | 64% | 0.637 | S | S | * | * | trans | -70.9 | 96.7 | 174.9 | -68.3 | -176.6 | 179.6 | -172.7 | -1 | 104.8 | K120 F124 | K120-R122 PolarHBondContact O-N 3.21Å; R122-F124 HydrophobicContact CB-CD2 4.32Å; R122-F124 HydrophobicContact CB-CE1 3.74Å; R122-F124 HydrophobicContact CB-CE2 3.52Å; R122-F124 HydrophobicContact CB-CZ 3.19Å; R122-F124 HydrophobicContact CG-CZ 4.11Å; R122-F124 WeakPolarHBondContact O-CD2 3.49Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å | ||
| 123 | Q | 77 | Confident | 63.5 | Low | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 62% | 0.622 | S | S | * | * | trans | -70.6 | 128.3 | 165 | -86.2 | 176.3 | 10.4 | 0 | 0 | 107.3 | S121 V134 I135 V136 | S121-Q123 VanDerWaalsContact C-N 3.26Å; S121-Q123 PolarHBondContact O-N 2.86Å; Q123-V134 HydrophobicContact CB-CG1 3.68Å; Q123-V134 HydrophobicContact CG-CG1 4.04Å; Q123-I135 CarbonylContact C-O 3.6Å; Q123-I135 WeakPolarHBondContact CA-O 3.45Å; Q123-V136 HydrophobicContact CG-CB 4.37Å; Q123-V136 HydrophobicContact CG-CG2 3.59Å | ||
| 124 | F | 78 | Confident | 65.8 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.8 | 178.4 | -53.7 | -82.9 | 0 | 0 | 0 | 108.2 | R122 I135 | R122-F124 HydrophobicContact CB-CD2 4.32Å; R122-F124 HydrophobicContact CB-CE1 3.74Å; R122-F124 HydrophobicContact CB-CE2 3.52Å; R122-F124 HydrophobicContact CB-CZ 3.19Å; R122-F124 HydrophobicContact CG-CZ 4.11Å; R122-F124 WeakPolarHBondContact O-CD2 3.49Å; R122-F124 WeakPolarHBondContact O-CE2 3.42Å; F124-I135 PolarHBondContact N-O 3.33Å; F124-I135 PolarHBondContact O-N 3.43Å |
| 125 | G | 82.9 | Confident | 68.2 | Low | 42 Ų | 42 | 99.8 Ų | 99.8 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 144.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E127 E133 | G125-E127 PolarHBondContact O-N 3.4Å; G125-E133 CarbonylContact C-O 3.6Å |
| 126 | C | 82.8 | Confident | 70.5 | Confident | 13 Ų | 13 | 95.1 Ų | 95.1 | 9% | 0.088 | 56% | 0.56 | C | S | . | * | trans | -60.9 | 123.7 | 168.8 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | H128 C131 E133 H144 H149 | C126-H128 PolarHBondContact O-N 3.11Å; C126-H128 PolarHBondContact SG-N 3.04Å; C126-C131 HydrophobicContact CB-CB 3.9Å; C126-C131 VanDerWaalsContact CB-SG 3.58Å; C126-E133 HydrophobicContact CB-CB 4.43Å; C126-E133 PolarHBondContact N-O 2.79Å; C126-H144 PolarHBondContact SG-NE2 2.86Å; C126-H149 VanDerWaalsContact SG-CD2 3.56Å; C126-H149 PolarHBondContact SG-NE2 3.09Å | ||
| 127 | E | 79.2 | Confident | 72.5 | Confident | 177 Ų | 177 | 92.2 Ų | 92.2 | 83% | 0.827 | 55% | 0.546 | S | S | * | . | trans | -80.4 | 0.9 | -179.9 | -60.8 | -177.2 | 166.3 | 0 | 0 | 113.2 | G125 A129 | G125-E127 PolarHBondContact O-N 3.4Å; E127-A129 PolarHBondContact O-N 2.86Å | ||
| 128 | H | 74.5 | Confident | 74.3 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 30% | 0.296 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -73.1 | 126.5 | 176.4 | -162.8 | 90.3 | 0 | 0 | 0 | 110.6 | C126 G130 C131 H149 K152 | C126-H128 PolarHBondContact O-N 3.11Å; C126-H128 PolarHBondContact SG-N 3.04Å; H128-G130 PolarHBondContact O-N 3.48Å; H128-G130 VanDerWaalsContact O-N 3.17Å; H128-C131 HydrophobicContact CB-CB 4.12Å; H128-C131 VanDerWaalsContact O-CB 3.29Å; H128-C131 WeakPolarHBondContact O-CB 3.46Å; H128-C131 PolarHBondContact O-N 2.91Å; H128-H149 AromaticContact CD2-CE1 3.68Å; H128-H149 AromaticContact CD2-ND1 3.3Å; H128-H149 PolarHBondContact CD2-ND1 3.48Å; H128-H149 VanDerWaalsContact CD2-ND1 3.3Å; H128-H149 AromaticContact CE1-ND1 3.95Å; H128-H149 AromaticContact CG-CE1 3.68Å; H128-H149 AromaticContact CG-CG 3.62Å; H128-H149 AromaticContact CG-ND1 3.32Å; H128-H149 VanDerWaalsContact CG-ND1 3.32Å; H128-H149 AromaticContact ND1-CG 3.74Å; H128-H149 AromaticContact ND1-ND1 3.75Å; H128-H149 AromaticContact NE2-ND1 3.75Å; H128-K152 PolarHBondContact NE2-NZ 3.15Å; H128-K152 VanDerWaalsContact NE2-NZ 3.17Å |
| 129 | A | 72.3 | Confident | 76.3 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 122.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E127 C131 | E127-A129 PolarHBondContact O-N 2.86Å; A129-C131 VanDerWaalsContact C-N 3.35Å |
| 130 | G | 74 | Confident | 78 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 87% | 0.866 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H128 | H128-G130 PolarHBondContact O-N 3.48Å; H128-G130 VanDerWaalsContact O-N 3.17Å |
| 131 | C | 79.5 | Confident | 79.5 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 19% | 0.189 | 50% | 0.496 | C | S | . | . | trans | -87.1 | 132.8 | 170 | -165.3 | 0 | 0 | 0 | 0 | 110 | C126 H128 A129 H144 H149 | C126-C131 HydrophobicContact CB-CB 3.9Å; C126-C131 VanDerWaalsContact CB-SG 3.58Å; H128-C131 HydrophobicContact CB-CB 4.12Å; H128-C131 VanDerWaalsContact O-CB 3.29Å; H128-C131 WeakPolarHBondContact O-CB 3.46Å; H128-C131 PolarHBondContact O-N 2.91Å; A129-C131 VanDerWaalsContact C-N 3.35Å; C131-H144 PolarHBondContact SG-CE1 2.85Å; C131-H144 PolarHBondContact SG-NE2 2.91Å; C131-H144 VanDerWaalsContact SG-NE2 3.4Å; C131-H149 PolarHBondContact SG-NE2 3.28Å | ||
| 132 | S | 85.2 | Confident | 80.7 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 78% | 0.783 | 50% | 0.496 | S | S | * | . | trans | -114.9 | 15.3 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 133 | E | 86.4 | Confident | 81.4 | Confident | 110 Ų | 110 | 83.3 Ų | 83.3 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | trans | -70.4 | 134.4 | 178.6 | -70.4 | -60.2 | 132.9 | 0 | 0 | 110.7 | G125 C126 H144 | G125-E133 CarbonylContact C-O 3.6Å; C126-E133 HydrophobicContact CB-CB 4.43Å; C126-E133 PolarHBondContact N-O 2.79Å; E133-H144 VanDerWaalsContact CG-CE1 3.43Å; E133-H144 WeakPolarHBondContact CG-CE1 3.41Å | ||
| 134 | V | 87.8 | Confident | 81.8 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.7 | 178.5 | 179 | 0 | 0 | 0 | 0 | 108.1 | Q123 | Q123-V134 HydrophobicContact CB-CG1 3.68Å; Q123-V134 HydrophobicContact CG-CG1 4.04Å |
| 135 | I | 87.9 | Confident | 81.9 | Confident | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.9 | -166.6 | -53.4 | 173.8 | 0 | 0 | 0 | 109.7 | Q123 F124 N137 D140 Y141 H144 | Q123-I135 CarbonylContact C-O 3.6Å; Q123-I135 WeakPolarHBondContact CA-O 3.45Å; F124-I135 PolarHBondContact N-O 3.33Å; F124-I135 PolarHBondContact O-N 3.43Å; I135-N137 WeakPolarHBondContact CG2-O 3.32Å; I135-D140 HydrophobicContact CG2-CB 3.42Å; I135-D140 VanDerWaalsContact CG2-CB 3.42Å; I135-Y141 HydrophobicContact CB-CD2 4.38Å; I135-Y141 HydrophobicContact CD1-CD2 3.99Å; I135-H144 HydrophobicContact CD1-CB 3.31Å |
| 136 | V | 85.1 | Confident | 81.7 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 35% | 0.352 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -86.8 | -41.4 | -172.8 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | Q123 | Q123-V136 HydrophobicContact CG-CB 4.37Å; Q123-V136 HydrophobicContact CG-CG2 3.59Å |
| 137 | N | 84.7 | Confident | 81.3 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -106 | 146.5 | -174.7 | -54.8 | -52.5 | 0 | 0 | 0 | 111.2 | I135 S139 D140 Y141 | I135-N137 WeakPolarHBondContact CG2-O 3.32Å; N137-S139 VanDerWaalsContact C-N 3.33Å; N137-S139 PolarHBondContact O-N 3.16Å; N137-D140 HydrophobicContact CB-CB 4.28Å; N137-D140 WeakPolarHBondContact CB-OD2 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3.43Å; N137-D140 PolarHBondContact O-N 2.94Å; N137-Y141 PolarHBondContact O-N 3.25Å |
| 138 | E | 80.8 | Confident | 81.1 | Confident | 166 Ų | 166 | 73.6 Ų | 73.6 | 78% | 0.776 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 177.1 | -173.6 | 173.2 | -171.4 | 0 | 0 | 112.3 | D140 Y141 Q142 | E138-D140 VanDerWaalsContact C-N 3.32Å; E138-D140 PolarHBondContact O-N 3.46Å; E138-Y141 WeakPolarHBondContact O-CB 3.31Å; E138-Y141 PolarHBondContact O-N 3.14Å; E138-Q142 PolarHBondContact O-N 3.34Å |
| 139 | S | 81.8 | Confident | 81.3 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | N137 Y141 Q142 A143 | N137-S139 VanDerWaalsContact C-N 3.33Å; N137-S139 PolarHBondContact O-N 3.16Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Q142 PolarHBondContact O-N 3.37Å; S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.37Å |
| 140 | D | 83.8 | Confident | 81.7 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.7 | -33.9 | -179 | -60.4 | -18.8 | 0 | 0 | 0 | 110.2 | I135 N137 E138 A143 H144 | I135-D140 HydrophobicContact CG2-CB 3.42Å; I135-D140 VanDerWaalsContact CG2-CB 3.42Å; N137-D140 HydrophobicContact CB-CB 4.28Å; N137-D140 WeakPolarHBondContact CB-OD2 3.26Å; N137-D140 PolarHBondContact ND2-OD2 3.43Å; N137-D140 PolarHBondContact O-N 2.94Å; E138-D140 VanDerWaalsContact C-N 3.32Å; E138-D140 PolarHBondContact O-N 3.46Å; D140-A143 PolarHBondContact O-N 3.37Å; D140-H144 VanDerWaalsContact O-CB 3.25Å; D140-H144 WeakPolarHBondContact O-CB 2.96Å; D140-H144 PolarHBondContact O-N 2.82Å |
| 141 | Y | 82.3 | Confident | 82.1 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 24% | 0.239 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175.9 | -176.9 | -89.2 | 0 | 0 | 0 | 111.1 | I135 N137 E138 S139 H144 C145 | I135-Y141 HydrophobicContact CB-CD2 4.38Å; I135-Y141 HydrophobicContact CD1-CD2 3.99Å; N137-Y141 PolarHBondContact O-N 3.25Å; E138-Y141 WeakPolarHBondContact O-CB 3.31Å; E138-Y141 PolarHBondContact O-N 3.14Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; Y141-H144 PolarHBondContact O-N 3.22Å; Y141-C145 WeakPolarHBondContact CE1-SG 3.26Å; Y141-C145 WeakPolarHBondContact O-CB 3.45Å; Y141-C145 PolarHBondContact O-N 3.16Å; Y141-C145 PolarHBondContact O-SG 3.45Å |
| 142 | Q | 82.7 | Confident | 82.3 | Confident | 125 Ų | 125 | 69.8 Ų | 69.8 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 175.1 | -171.8 | 179.8 | 3.8 | 0 | 0 | 111.1 | E138 S139 H144 C145 L146 | E138-Q142 PolarHBondContact O-N 3.34Å; S139-Q142 PolarHBondContact O-N 3.37Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.18Å; Q142-C145 PolarHBondContact O-N 2.96Å; Q142-L146 HydrophobicContact CG-CD1 4Å; Q142-L146 HydrophobicContact CG-CG 4.45Å; Q142-L146 WeakPolarHBondContact O-CB 3.41Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.24Å; Q142-L146 PolarHBondContact O-N 3.21Å |
| 143 | A | 81.8 | Confident | 82.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S139 D140 L146 S147 | S139-A143 WeakPolarHBondContact O-CB 3.44Å; S139-A143 PolarHBondContact O-N 3.37Å; D140-A143 PolarHBondContact O-N 3.37Å; A143-L146 PolarHBondContact O-N 2.93Å; A143-S147 WeakPolarHBondContact O-CB 3.5Å; A143-S147 PolarHBondContact O-N 2.87Å; A143-S147 PolarHBondContact O-OG 3.22Å |
| 144 | H | 83.6 | Confident | 82.2 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 173.5 | 166.5 | 85 | 0 | 0 | 0 | 111.8 | C126 C131 E133 I135 D140 Y141 Q142 L146 S147 N148 H149 | C126-H144 PolarHBondContact SG-NE2 2.86Å; C131-H144 PolarHBondContact SG-CE1 2.85Å; C131-H144 PolarHBondContact SG-NE2 2.91Å; C131-H144 VanDerWaalsContact SG-NE2 3.4Å; E133-H144 VanDerWaalsContact CG-CE1 3.43Å; E133-H144 WeakPolarHBondContact CG-CE1 3.41Å; I135-H144 HydrophobicContact CD1-CB 3.31Å; D140-H144 VanDerWaalsContact O-CB 3.25Å; D140-H144 WeakPolarHBondContact O-CB 2.96Å; D140-H144 PolarHBondContact O-N 2.82Å; Y141-H144 PolarHBondContact O-N 3.22Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.18Å; H144-L146 VanDerWaalsContact C-N 3.34Å; H144-L146 PolarHBondContact O-N 3.22Å; H144-S147 PolarHBondContact O-N 2.89Å; H144-S147 PolarHBondContact O-OG 3.25Å; H144-N148 PolarHBondContact CE1-ND2 3.33Å; H144-N148 PolarHBondContact ND1-ND2 3.14Å; H144-N148 VanDerWaalsContact O-CB 3.32Å; H144-N148 WeakPolarHBondContact O-CB 3.42Å; H144-N148 PolarHBondContact O-N 3.49Å; H144-N148 PolarHBondContact O-ND2 3.43Å; H144-H149 AromaticContact CD2-CD2 3.88Å; H144-H149 AromaticContact CD2-NE2 3.81Å; H144-H149 AromaticContact CE1-NE2 3.65Å; H144-H149 AromaticContact NE2-CD2 3.43Å; H144-H149 PolarHBondContact NE2-CD2 2.84Å; H144-H149 AromaticContact NE2-NE2 2.9Å; H144-H149 PolarHBondContact NE2-NE2 3.24Å |
| 145 | C | 80.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -62.9 | -42.2 | 179.4 | -70.2 | 0 | 0 | 0 | 0 | 111.4 | Y141 Q142 H149 A150 | Y141-C145 WeakPolarHBondContact CE1-SG 3.26Å; Y141-C145 WeakPolarHBondContact O-CB 3.45Å; Y141-C145 PolarHBondContact O-N 3.16Å; Y141-C145 PolarHBondContact O-SG 3.45Å; Q142-C145 PolarHBondContact O-N 2.96Å; C145-H149 CarbonylContact O-C 3.5Å; C145-H149 WeakPolarHBondContact O-CA 3.47Å; C145-H149 WeakPolarHBondContact O-CB 3.37Å; C145-H149 PolarHBondContact O-N 3.4Å; C145-A150 WeakPolarHBondContact O-CB 3.49Å; C145-A150 PolarHBondContact O-N 3.49Å |
| 146 | L | 78.3 | Confident | 81.8 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -64.6 | -42.5 | 177.4 | -71.2 | 172.3 | 0 | 0 | 0 | 112.6 | Q142 A143 H144 A150 | Q142-L146 HydrophobicContact CG-CD1 4Å; Q142-L146 HydrophobicContact CG-CG 4.45Å; Q142-L146 WeakPolarHBondContact O-CB 3.41Å; Q142-L146 VanDerWaalsContact O-CG 3.28Å; Q142-L146 WeakPolarHBondContact O-CG 3.24Å; Q142-L146 PolarHBondContact O-N 3.21Å; A143-L146 PolarHBondContact O-N 2.93Å; H144-L146 VanDerWaalsContact C-N 3.34Å; H144-L146 PolarHBondContact O-N 3.22Å; L146-A150 HydrophobicContact CD2-CB 4.09Å |
| 147 | S | 74.3 | Confident | 81.8 | Confident | 60 Ų | 60 | 70 Ų | 70 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -79.9 | -30.3 | -176.3 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | A143 H144 | A143-S147 WeakPolarHBondContact O-CB 3.5Å; A143-S147 PolarHBondContact O-N 2.87Å; A143-S147 PolarHBondContact O-OG 3.22Å; H144-S147 PolarHBondContact O-N 2.89Å; H144-S147 PolarHBondContact O-OG 3.25Å |
| 148 | N | 76.1 | Confident | 81.7 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -111.7 | -28.3 | -171.8 | -61.2 | -50.3 | 0 | 0 | 0 | 114.3 | H144 | H144-N148 PolarHBondContact CE1-ND2 3.33Å; H144-N148 PolarHBondContact ND1-ND2 3.14Å; H144-N148 VanDerWaalsContact O-CB 3.32Å; H144-N148 WeakPolarHBondContact O-CB 3.42Å; H144-N148 PolarHBondContact O-N 3.49Å; H144-N148 PolarHBondContact O-ND2 3.43Å |
| 149 | H | 78.2 | Confident | 81.7 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 15% | 0.148 | 36% | 0.356 | C | S | . | . | I | π-helix | trans | -121.1 | -31.6 | -171 | -57.2 | -51.3 | 0 | 0 | 0 | 114.4 | C126 H128 C131 H144 C145 F151 K152 | C126-H149 VanDerWaalsContact SG-CD2 3.56Å; C126-H149 PolarHBondContact SG-NE2 3.09Å; H128-H149 AromaticContact CD2-CE1 3.68Å; H128-H149 AromaticContact CD2-ND1 3.3Å; H128-H149 PolarHBondContact CD2-ND1 3.48Å; H128-H149 VanDerWaalsContact CD2-ND1 3.3Å; H128-H149 AromaticContact CE1-ND1 3.95Å; H128-H149 AromaticContact CG-CE1 3.68Å; H128-H149 AromaticContact CG-CG 3.62Å; H128-H149 AromaticContact CG-ND1 3.32Å; H128-H149 VanDerWaalsContact CG-ND1 3.32Å; H128-H149 AromaticContact ND1-CG 3.74Å; H128-H149 AromaticContact ND1-ND1 3.75Å; H128-H149 AromaticContact NE2-ND1 3.75Å; C131-H149 PolarHBondContact SG-NE2 3.28Å; H144-H149 AromaticContact CD2-CD2 3.88Å; H144-H149 AromaticContact CD2-NE2 3.81Å; H144-H149 AromaticContact CE1-NE2 3.65Å; H144-H149 AromaticContact NE2-CD2 3.43Å; H144-H149 PolarHBondContact NE2-CD2 2.84Å; H144-H149 AromaticContact NE2-NE2 2.9Å; H144-H149 PolarHBondContact NE2-NE2 3.24Å; C145-H149 CarbonylContact O-C 3.5Å; C145-H149 WeakPolarHBondContact O-CA 3.47Å; C145-H149 WeakPolarHBondContact O-CB 3.37Å; C145-H149 PolarHBondContact O-N 3.4Å; H149-F151 PolarHBondContact O-N 3.41Å; H149-K152 WeakPolarHBondContact O-CB 3.44Å |
| 150 | A | 80.6 | Confident | 81.5 | Confident | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -63.6 | -41.8 | -168 | 0 | 0 | 0 | 0 | 0 | 112.7 | C145 L146 | C145-A150 WeakPolarHBondContact O-CB 3.49Å; C145-A150 PolarHBondContact O-N 3.49Å; L146-A150 HydrophobicContact CD2-CB 4.09Å |
| 151 | F | 82.7 | Confident | 81.2 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 55.5 | -178.4 | -44.4 | -60.9 | 0 | 0 | 0 | 111.7 | H149 Y160 A163 L166 | H149-F151 PolarHBondContact O-N 3.41Å; F151-Y160 WeakPolarHBondContact CB-O 3.34Å; F151-Y160 WeakPolarHBondContact O-CD2 3.4Å; F151-Y160 PolarHBondContact O-N 2.97Å; F151-A163 VanDerWaalsContact CD1-CA 3.5Å; F151-A163 HydrophobicContact CD1-CB 3.77Å; F151-A163 HydrophobicContact CE1-CB 3.57Å; F151-A163 HydrophobicContact CZ-CB 4.28Å; F151-L166 HydrophobicContact CB-CB 4.17Å; F151-L166 HydrophobicContact CB-CD2 4.09Å |
| 152 | K | 84.5 | Confident | 81.2 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -96.9 | 126.6 | 177.4 | -171.9 | 173.3 | -178.3 | 173.6 | 0 | 111.9 | H128 H149 M154 K157 R158 | H128-K152 PolarHBondContact NE2-NZ 3.15Å; H128-K152 VanDerWaalsContact NE2-NZ 3.17Å; H149-K152 WeakPolarHBondContact O-CB 3.44Å; K152-M154 PolarHBondContact O-N 3.16Å; K152-K157 WeakPolarHBondContact CE-O 3.32Å; K152-R158 CarbonylContact C-O 3.55Å; K152-R158 WeakPolarHBondContact CA-O 3.42Å |
| 153 | C | 84.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | trans | -67.7 | 123.4 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | S155 C156 K157 R158 Y160 L166 H169 H174 | C153-S155 VanDerWaalsContact C-N 3.31Å; C153-S155 PolarHBondContact O-N 3.4Å; C153-C156 VanDerWaalsContact CB-SG 3.53Å; C153-K157 WeakPolarHBondContact O-CA 3.3Å; C153-K157 PolarHBondContact O-N 2.86Å; C153-R158 PolarHBondContact N-O 2.82Å; C153-Y160 HydrophobicContact CB-CE2 4.18Å; C153-L166 HydrophobicContact CB-CD1 3.7Å; C153-H169 PolarHBondContact SG-NE2 3.36Å; C153-H169 VanDerWaalsContact SG-NE2 3.37Å; C153-H174 PolarHBondContact SG-CD2 2.93Å | ||
| 154 | M | 83.1 | Confident | 81.5 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30.5 | -178.9 | -173.5 | 166.5 | 61.4 | 0 | 0 | 112.8 | K152 K157 | K152-M154 PolarHBondContact O-N 3.16Å; M154-K157 WeakPolarHBondContact O-CE 3.44Å; M154-K157 PolarHBondContact O-NZ 3.42Å |
| 155 | S | 83.2 | Confident | 81.6 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -44.7 | -177.1 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | C153 | C153-S155 VanDerWaalsContact C-N 3.31Å; C153-S155 PolarHBondContact O-N 3.4Å |
| 156 | C | 86 | Confident | 81.8 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.9 | -175.6 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | C153 R158 H169 | C153-C156 VanDerWaalsContact CB-SG 3.53Å; C156-R158 PolarHBondContact O-N 3.45Å; C156-R158 VanDerWaalsContact O-N 3.14Å; C156-H169 PolarHBondContact SG-NE2 3.46Å |
| 157 | K | 84 | Confident | 82.2 | Confident | 129 Ų | 129 | 57.4 Ų | 57.4 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | trans | 63.8 | 7.2 | -179.4 | -50.8 | -53 | -173.6 | -163.8 | 0 | 116.3 | K152 C153 M154 | K152-K157 WeakPolarHBondContact CE-O 3.32Å; C153-K157 WeakPolarHBondContact O-CA 3.3Å; C153-K157 PolarHBondContact O-N 2.86Å; M154-K157 WeakPolarHBondContact O-CE 3.44Å; M154-K157 PolarHBondContact O-NZ 3.42Å | ||
| 158 | R | 83.1 | Confident | 82.9 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | trans | -67.7 | 137.8 | 173 | -67.4 | -179.4 | -175.8 | -178.8 | 1.5 | 111.6 | K152 C153 C156 Y160 | K152-R158 CarbonylContact C-O 3.55Å; K152-R158 WeakPolarHBondContact CA-O 3.42Å; C153-R158 PolarHBondContact N-O 2.82Å; C156-R158 PolarHBondContact O-N 3.45Å; C156-R158 VanDerWaalsContact O-N 3.14Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å; R158-Y160 WeakPolarHBondContact O-CE2 3.28Å | ||
| 159 | A | 79.4 | Confident | 83.5 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -100.5 | 141.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 160 | Y | 79.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | trans | -119.2 | 148.3 | -176.1 | -67 | -91.4 | 0 | 0 | 0 | 111 | F151 C153 R158 S162 L165 L166 H169 | F151-Y160 WeakPolarHBondContact CB-O 3.34Å; F151-Y160 WeakPolarHBondContact O-CD2 3.4Å; F151-Y160 PolarHBondContact O-N 2.97Å; C153-Y160 HydrophobicContact CB-CE2 4.18Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å; R158-Y160 WeakPolarHBondContact O-CE2 3.28Å; Y160-S162 VanDerWaalsContact C-N 3.26Å; Y160-S162 PolarHBondContact O-N 2.88Å; Y160-L165 HydrophobicContact CD1-CB 3.93Å; Y160-L165 HydrophobicContact CG-CB 4.47Å; Y160-L166 HydrophobicContact CD2-CB 4.01Å; Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CD2-CG 4.45Å; Y160-L166 HydrophobicContact CE2-CD1 3.96Å; Y160-L166 HydrophobicContact CG-CB 4.1Å; Y160-H169 HydrophobicContact CE1-CB 3.84Å; Y160-H169 HydrophobicContact CE2-CB 4.16Å; Y160-H169 AromaticContact CE2-CD2 3.74Å; Y160-H169 AromaticContact CE2-CG 3.95Å; Y160-H169 AromaticContact CZ-CD2 3.7Å; Y160-H169 AromaticContact CZ-CG 3.44Å; Y160-H169 VanDerWaalsContact CZ-CG 3.44Å; Y160-H169 AromaticContact CZ-ND1 3.98Å; Y160-H169 PolarHBondContact OH-CD2 2.89Å; Y160-H169 VanDerWaalsContact OH-CD2 3.3Å; Y160-H169 PolarHBondContact OH-CE1 3.44Å; Y160-H169 PolarHBondContact OH-ND1 2.94Å | ||
| 161 | P | 76.9 | Confident | 84.3 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -68.2 | -21.4 | 177.5 | -22.6 | 33.6 | 0 | 0 | 0 | 114.6 | L165 | P161-L165 HydrophobicContact CG-CD1 4.36Š|
| 162 | S | 81.2 | Confident | 84.7 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -145.8 | 156.3 | -178 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | Y160 H164 L165 L166 | Y160-S162 VanDerWaalsContact C-N 3.26Å; Y160-S162 PolarHBondContact O-N 2.88Å; S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 3.12Å; S162-L165 PolarHBondContact O-N 3.16Å; S162-L165 WeakPolarHBondContact OG-CG 3.4Å; S162-L165 PolarHBondContact OG-N 3.18Å; S162-L166 PolarHBondContact O-N 3.39Å |
| 163 | A | 85.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 53 Ų | 53 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F151 L165 L166 D167 | F151-A163 VanDerWaalsContact CD1-CA 3.5Å; F151-A163 HydrophobicContact CD1-CB 3.77Å; F151-A163 HydrophobicContact CE1-CB 3.57Å; F151-A163 HydrophobicContact CZ-CB 4.28Å; A163-L165 PolarHBondContact O-N 3.46Å; A163-L166 WeakPolarHBondContact O-CB 3.45Å; A163-L166 PolarHBondContact O-N 3.45Å; A163-L166 VanDerWaalsContact O-N 3.14Å; A163-D167 PolarHBondContact O-N 3.18Å |
| 164 | H | 86.3 | Confident | 84.8 | Confident | 41 Ų | 41 | 56 Ų | 56 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | -179.7 | -178.5 | 68.6 | 0 | 0 | 0 | 112.2 | S162 L166 D167 L168 C185 F186 P188 | S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 3.12Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 3.27Å; H164-D167 PolarHBondContact O-N 3.26Å; H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.44Å; H164-L168 PolarHBondContact O-N 3.41Å; H164-C185 PolarHBondContact NE2-O 3.3Å; H164-F186 PolarHBondContact CD2-O 3.37Å; H164-F186 PolarHBondContact NE2-O 3.43Å; H164-P188 HydrophobicContact CB-CB 4.28Å; H164-P188 HydrophobicContact CB-CG 3.79Å |
| 165 | L | 86 | Confident | 84.8 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 178.8 | -67.2 | 174.3 | 0 | 0 | 0 | 112.3 | Y160 P161 S162 A163 L168 H169 F186 Y216 | Y160-L165 HydrophobicContact CD1-CB 3.93Å; Y160-L165 HydrophobicContact CG-CB 4.47Å; P161-L165 HydrophobicContact CG-CD1 4.36Å; S162-L165 PolarHBondContact O-N 3.16Å; S162-L165 WeakPolarHBondContact OG-CG 3.4Å; S162-L165 PolarHBondContact OG-N 3.18Å; A163-L165 PolarHBondContact O-N 3.46Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 3.11Å; L165-F186 HydrophobicContact CD2-CB 4.14Å; L165-F186 HydrophobicContact CD2-CD1 3.9Å; L165-F186 HydrophobicContact CD2-CG 4.35Å; L165-Y216 HydrophobicContact CD2-CD2 4.49Å |
| 166 | L | 84 | Confident | 84.6 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 172.4 | 172.5 | 64.9 | 0 | 0 | 0 | 111.4 | F151 C153 Y160 S162 A163 H164 H169 I170 | F151-L166 HydrophobicContact CB-CB 4.17Å; F151-L166 HydrophobicContact CB-CD2 4.09Å; C153-L166 HydrophobicContact CB-CD1 3.7Å; Y160-L166 HydrophobicContact CD2-CB 4.01Å; Y160-L166 HydrophobicContact CD2-CD1 3.65Å; Y160-L166 HydrophobicContact CD2-CG 4.45Å; Y160-L166 HydrophobicContact CE2-CD1 3.96Å; Y160-L166 HydrophobicContact CG-CB 4.1Å; S162-L166 PolarHBondContact O-N 3.39Å; A163-L166 WeakPolarHBondContact O-CB 3.45Å; A163-L166 PolarHBondContact O-N 3.45Å; A163-L166 VanDerWaalsContact O-N 3.14Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 3.27Å; L166-H169 WeakPolarHBondContact O-CB 3.34Å; L166-H169 PolarHBondContact O-N 3.07Å; L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.1Å; L166-I170 HydrophobicContact CD2-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.39Å |
| 167 | D | 88.5 | Confident | 84.4 | Confident | 88 Ų | 88 | 60 Ų | 60 | 47% | 0.471 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | -179.1 | -75.1 | -24.5 | 0 | 0 | 0 | 112.1 | A163 H164 I170 A171 | A163-D167 PolarHBondContact O-N 3.18Å; H164-D167 PolarHBondContact O-N 3.26Å; D167-I170 PolarHBondContact O-N 2.91Å; D167-A171 WeakPolarHBondContact O-CB 3.41Å; D167-A171 PolarHBondContact O-N 3.42Å |
| 168 | L | 88.8 | Confident | 84 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 171.3 | -67.5 | -179.1 | 0 | 0 | 0 | 111.1 | H164 L165 I170 A171 E172 R184 F186 | H164-L168 VanDerWaalsContact O-CG 3.3Å; H164-L168 WeakPolarHBondContact O-CG 3.44Å; H164-L168 PolarHBondContact O-N 3.41Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L168-I170 PolarHBondContact O-N 3.36Å; L168-A171 PolarHBondContact O-N 3.05Å; L168-E172 WeakPolarHBondContact O-CB 3.03Å; L168-E172 WeakPolarHBondContact O-CG 3.35Å; L168-E172 PolarHBondContact O-N 3.04Å; L168-R184 HydrophobicContact CD2-CB 3.67Å; L168-R184 HydrophobicContact CD2-CG 4.45Å; L168-F186 HydrophobicContact CD1-CD1 3.66Å; L168-F186 HydrophobicContact CD1-CE1 4.23Å |
| 169 | H | 88.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.032 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.9 | 166 | 69.3 | 0 | 0 | 0 | 112.3 | C153 C156 Y160 L165 L166 E172 N173 H174 | C153-H169 PolarHBondContact SG-NE2 3.36Å; C153-H169 VanDerWaalsContact SG-NE2 3.37Å; C156-H169 PolarHBondContact SG-NE2 3.46Å; Y160-H169 HydrophobicContact CE1-CB 3.84Å; Y160-H169 HydrophobicContact CE2-CB 4.16Å; Y160-H169 AromaticContact CE2-CD2 3.74Å; Y160-H169 AromaticContact CE2-CG 3.95Å; Y160-H169 AromaticContact CZ-CD2 3.7Å; Y160-H169 AromaticContact CZ-CG 3.44Å; Y160-H169 VanDerWaalsContact CZ-CG 3.44Å; Y160-H169 AromaticContact CZ-ND1 3.98Å; Y160-H169 PolarHBondContact OH-CD2 2.89Å; Y160-H169 VanDerWaalsContact OH-CD2 3.3Å; Y160-H169 PolarHBondContact OH-CE1 3.44Å; Y160-H169 PolarHBondContact OH-ND1 2.94Å; L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 3.11Å; L166-H169 WeakPolarHBondContact O-CB 3.34Å; L166-H169 PolarHBondContact O-N 3.07Å; H169-E172 PolarHBondContact O-N 3.3Å; H169-N173 PolarHBondContact ND1-ND2 3.3Å; H169-N173 VanDerWaalsContact ND1-ND2 3.11Å; H169-N173 WeakPolarHBondContact O-CB 3.3Å; H169-N173 PolarHBondContact O-N 2.9Å; H169-N173 PolarHBondContact O-ND2 2.85Å; H169-H174 AromaticContact CD2-CD2 3.97Å; H169-H174 AromaticContact CE1-CD2 3.89Å; H169-H174 AromaticContact CE1-NE2 3.64Å; H169-H174 AromaticContact NE2-CD2 3.26Å; H169-H174 PolarHBondContact NE2-CD2 3.12Å; H169-H174 VanDerWaalsContact NE2-CD2 3.26Å; H169-H174 AromaticContact NE2-NE2 3.18Å; H169-H174 PolarHBondContact NE2-NE2 3.18Å; H169-H174 VanDerWaalsContact NE2-NE2 3.18Å |
| 170 | I | 87.3 | Confident | 83.5 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 33% | 0.328 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 179 | -68.4 | 169.2 | 0 | 0 | 0 | 110.3 | L166 D167 L168 E172 H174 N175 | L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.1Å; L166-I170 HydrophobicContact CD2-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.46Å; L166-I170 WeakPolarHBondContact O-CG1 3.4Å; L166-I170 PolarHBondContact O-N 3.39Å; D167-I170 PolarHBondContact O-N 2.91Å; L168-I170 PolarHBondContact O-N 3.36Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-E172 PolarHBondContact O-N 3.43Å; I170-H174 HydrophobicContact CG2-CB 4.36Å; I170-H174 CarbonylContact O-C 3.3Å; I170-H174 VanDerWaalsContact O-C 3.3Å; I170-H174 WeakPolarHBondContact O-CA 3.47Å; I170-H174 PolarHBondContact O-N 3.47Å; I170-N175 PolarHBondContact O-N 2.97Å |
| 171 | A | 88.4 | Confident | 83.5 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D167 L168 N175 Q178 | D167-A171 WeakPolarHBondContact O-CB 3.41Å; D167-A171 PolarHBondContact O-N 3.42Å; L168-A171 PolarHBondContact O-N 3.05Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-Q178 VanDerWaalsContact O-CD 3.27Å; A171-Q178 PolarHBondContact O-NE2 2.94Å; A171-Q178 PolarHBondContact O-OE1 3.37Å; A171-Q178 VanDerWaalsContact O-OE1 3.05Å |
| 172 | E | 90 | Very high | 83.9 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78.8 | -33.3 | -174.9 | -71.8 | 164 | -143.1 | 0 | 0 | 114.1 | L168 H169 I170 F183 R200 | L168-E172 WeakPolarHBondContact O-CB 3.03Å; L168-E172 WeakPolarHBondContact O-CG 3.35Å; L168-E172 PolarHBondContact O-N 3.04Å; H169-E172 PolarHBondContact O-N 3.3Å; I170-E172 VanDerWaalsContact C-N 3.33Å; I170-E172 PolarHBondContact O-N 3.43Å; E172-F183 HydrophobicContact CG-CD1 4.03Å; E172-F183 HydrophobicContact CG-CE1 4.08Å; E172-R200 VanDerWaalsContact CD-NH1 3.26Å; E172-R200 IonicContact OE1-CZ 3.65Å; E172-R200 IonicContact OE1-NH1 2.63Å; E172-R200 PolarHBondContact OE1-NH1 3.11Å; E172-R200 IonicContact OE1-NH2 3.82Å; E172-R200 IonicContact OE2-CZ 3.48Å; E172-R200 IonicContact OE2-NH1 3.18Å; E172-R200 PolarHBondContact OE2-NH1 3.14Å; E172-R200 IonicContact OE2-NH2 2.87Å; E172-R200 PolarHBondContact OE2-NH2 2.94Å |
| 173 | N | 87.5 | Confident | 84.4 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -116.1 | -21.6 | -168.8 | -60.1 | -86.9 | 0 | 0 | 0 | 114.1 | H169 | H169-N173 PolarHBondContact ND1-ND2 3.3Å; H169-N173 VanDerWaalsContact ND1-ND2 3.11Å; H169-N173 WeakPolarHBondContact O-CB 3.3Å; H169-N173 PolarHBondContact O-N 2.9Å; H169-N173 PolarHBondContact O-ND2 2.85Å |
| 174 | H | 84.9 | Confident | 84.7 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 1.3 | -169.7 | -64.3 | -46.2 | 0 | 0 | 0 | 114.2 | C153 H169 I170 P176 | C153-H174 PolarHBondContact SG-CD2 2.93Å; H169-H174 AromaticContact CD2-CD2 3.97Å; H169-H174 AromaticContact CE1-CD2 3.89Å; H169-H174 AromaticContact CE1-NE2 3.64Å; H169-H174 AromaticContact NE2-CD2 3.26Å; H169-H174 PolarHBondContact NE2-CD2 3.12Å; H169-H174 VanDerWaalsContact NE2-CD2 3.26Å; H169-H174 AromaticContact NE2-NE2 3.18Å; H169-H174 PolarHBondContact NE2-NE2 3.18Å; H169-H174 VanDerWaalsContact NE2-NE2 3.18Å; I170-H174 HydrophobicContact CG2-CB 4.36Å; I170-H174 CarbonylContact O-C 3.3Å; I170-H174 VanDerWaalsContact O-C 3.3Å; I170-H174 WeakPolarHBondContact O-CA 3.47Å; I170-H174 PolarHBondContact O-N 3.47Å; H174-P176 WeakPolarHBondContact O-CD 3.47Å |
| 175 | N | 82.2 | Confident | 85 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | trans | -94.2 | 96.7 | 175.8 | -177 | 16.2 | 0 | 0 | 0 | 110.6 | I170 A171 M177 Q178 | I170-N175 PolarHBondContact O-N 2.97Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; N175-M177 PolarHBondContact O-N 3.19Å; N175-M177 VanDerWaalsContact O-N 3.14Å; N175-M177 WeakPolarHBondContact OD1-CB 3.36Å; N175-M177 PolarHBondContact OD1-N 3.05Å; N175-M177 VanDerWaalsContact OD1-N 3.11Å; N175-Q178 HydrophobicContact CB-CB 4.34Å; N175-Q178 WeakPolarHBondContact O-CB 3.03Å; N175-Q178 PolarHBondContact O-N 3.33Å; N175-Q178 VanDerWaalsContact O-N 3.11Å | ||
| 176 | P | 79.5 | Confident | 85.1 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 79% | 0.792 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.7 | 177.5 | 29.7 | -37.2 | 0 | 0 | 0 | 112.9 | H174 Q178 | H174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-Q178 VanDerWaalsContact C-N 3.29Å |
| 177 | M | 80.8 | Confident | 85.4 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 76% | 0.764 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.4 | 177.4 | -59.6 | -66.6 | 175.6 | 0 | 0 | 112.6 | N175 I179 | N175-M177 PolarHBondContact O-N 3.19Å; N175-M177 VanDerWaalsContact O-N 3.14Å; N175-M177 WeakPolarHBondContact OD1-CB 3.36Å; N175-M177 PolarHBondContact OD1-N 3.05Å; N175-M177 VanDerWaalsContact OD1-N 3.11Å; M177-I179 PolarHBondContact O-N 2.87Å |
| 178 | Q | 76.2 | Confident | 85.4 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | trans | -75.1 | 105.3 | 175.6 | -171.9 | 162.5 | -86.7 | 0 | 0 | 110 | A171 N175 P176 A180 | A171-Q178 VanDerWaalsContact O-CD 3.27Å; A171-Q178 PolarHBondContact O-NE2 2.94Å; A171-Q178 PolarHBondContact O-OE1 3.37Å; A171-Q178 VanDerWaalsContact O-OE1 3.05Å; N175-Q178 HydrophobicContact CB-CB 4.34Å; N175-Q178 WeakPolarHBondContact O-CB 3.03Å; N175-Q178 PolarHBondContact O-N 3.33Å; N175-Q178 VanDerWaalsContact O-N 3.11Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; Q178-A180 WeakPolarHBondContact CG-O 3.46Å | ||
| 179 | I | 74.9 | Confident | 85.3 | Confident | 173 Ų | 173 | 67.3 Ų | 67.3 | 89% | 0.887 | 38% | 0.378 | S | S | * | . | trans | -76 | -36.3 | -175.7 | -57.8 | 172.2 | 0 | 0 | 0 | 111.5 | M177 | M177-I179 PolarHBondContact O-N 2.87Š| ||
| 180 | A | 78.3 | Confident | 85.3 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 51% | 0.512 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -133.7 | 142.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q178 S182 | Q178-A180 WeakPolarHBondContact CG-O 3.46Å; A180-S182 PolarHBondContact O-N 3.18Å; A180-S182 VanDerWaalsContact O-N 3.12Å |
| 181 | P | 78.1 | Confident | 85.5 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 49% | 0.494 | 41% | 0.409 | S | S | . | . | trans | -61.1 | 117.9 | 174.7 | 25.7 | -32 | 0 | 0 | 0 | 109.1 | F183 | P181-F183 HydrophobicContact CB-CD2 4.4Å; P181-F183 HydrophobicContact CB-CE2 3.73Å; P181-F183 HydrophobicContact CB-CZ 4.17Å | ||
| 182 | S | 86.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | trans | -121.9 | 102.3 | 173.1 | 53.9 | 0 | 0 | 0 | 0 | 108.8 | A180 R184 | A180-S182 PolarHBondContact O-N 3.18Å; A180-S182 VanDerWaalsContact O-N 3.12Å; S182-R184 PolarHBondContact O-N 2.63Å | ||
| 183 | F | 91.8 | Very high | 85.9 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 95.8 | -179.9 | -63.4 | -74.9 | 0 | 0 | 0 | 108.8 | E172 P181 F194 S195 L196 Q197 R200 | E172-F183 HydrophobicContact CG-CD1 4.03Å; E172-F183 HydrophobicContact CG-CE1 4.08Å; P181-F183 HydrophobicContact CB-CD2 4.4Å; P181-F183 HydrophobicContact CB-CE2 3.73Å; P181-F183 HydrophobicContact CB-CZ 4.17Å; F183-F194 HydrophobicContact CB-CB 4.26Å; F183-F194 PolarHBondContact N-O 3.44Å; F183-F194 VanDerWaalsContact O-CD2 3.32Å; F183-F194 WeakPolarHBondContact O-CD2 2.82Å; F183-F194 PolarHBondContact O-N 3.23Å; F183-S195 WeakPolarHBondContact CD2-O 3.13Å; F183-S195 VanDerWaalsContact CE2-O 3.3Å; F183-S195 WeakPolarHBondContact CE2-O 3.18Å; F183-L196 VanDerWaalsContact CD2-C 3.42Å; F183-Q197 HydrophobicContact CD1-CB 4.24Å; F183-Q197 HydrophobicContact CD1-CG 4.49Å; F183-Q197 HydrophobicContact CE1-CB 3.98Å; F183-Q197 HydrophobicContact CE1-CG 4.37Å; F183-Q197 HydrophobicContact CE2-CB 4.25Å; F183-Q197 HydrophobicContact CG-CB 4.49Å; F183-Q197 HydrophobicContact CZ-CB 3.98Å; F183-R200 HydrophobicContact CB-CB 4.2Å |
| 184 | R | 91.9 | Very high | 86.2 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 41% | 0.408 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 152.9 | 174.3 | -57.7 | -179.5 | -74.4 | -152.3 | -0.9 | 110.4 | L168 S182 V193 R200 | L168-R184 HydrophobicContact CD2-CB 3.67Å; L168-R184 HydrophobicContact CD2-CG 4.45Å; S182-R184 PolarHBondContact O-N 2.63Å; R184-V193 HydrophobicContact CG-CG1 4.16Å; R184-V193 HydrophobicContact CG-CG2 3.96Å; R184-R200 WeakPolarHBondContact O-CD 3.33Å |
| 185 | C | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -57.8 | 149.1 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | H164 V187 C190 E192 H203 H208 | H164-C185 PolarHBondContact NE2-O 3.3Å; C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.11Å; C185-C190 HydrophobicContact CB-CB 3.8Å; C185-E192 PolarHBondContact N-O 3.17Å; C185-H203 VanDerWaalsContact SG-CD2 3.59Å; C185-H203 PolarHBondContact SG-NE2 3.43Å; C185-H203 VanDerWaalsContact SG-NE2 3.44Å; C185-H208 VanDerWaalsContact SG-CD2 3.58Å; C185-H208 PolarHBondContact SG-NE2 3.45Å; C185-H208 VanDerWaalsContact SG-NE2 3.41Å | ||
| 186 | F | 88.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 78 Ų | 78 | 8% | 0.083 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -72.8 | -18.2 | 177 | -58.7 | -52.6 | 0 | 0 | 0 | 113.8 | H164 L165 L168 P188 R200 Y204 Y216 | H164-F186 PolarHBondContact CD2-O 3.37Å; H164-F186 PolarHBondContact NE2-O 3.43Å; L165-F186 HydrophobicContact CD2-CB 4.14Å; L165-F186 HydrophobicContact CD2-CD1 3.9Å; L165-F186 HydrophobicContact CD2-CG 4.35Å; L168-F186 HydrophobicContact CD1-CD1 3.66Å; L168-F186 HydrophobicContact CD1-CE1 4.23Å; F186-P188 WeakPolarHBondContact O-CD 3.36Å; F186-R200 HydrophobicContact CE2-CG 4.14Å; F186-R200 HydrophobicContact CZ-CG 4.2Å; F186-Y204 HydrophobicContact CB-CD2 4.03Å; F186-Y204 HydrophobicContact CB-CE1 4.5Å; F186-Y204 HydrophobicContact CB-CE2 3.61Å; F186-Y204 AromaticContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD2 4.12Å; F186-Y204 HydrophobicContact CD2-CE1 4Å; F186-Y204 HydrophobicContact CD2-CE2 4.27Å; F186-Y204 AromaticContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CG-CE2 4.47Å; F186-Y216 HydrophobicContact CD1-CD1 4.41Å; F186-Y216 AromaticContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD2-CD1 4.44Å; F186-Y216 HydrophobicContact CD2-CE1 4.14Å; F186-Y216 HydrophobicContact CE1-CD1 4.1Å; F186-Y216 AromaticContact CE1-CE1 3.25Å; F186-Y216 HydrophobicContact CE1-CE1 3.25Å; F186-Y216 AromaticContact CE1-CE2 3.96Å; F186-Y216 HydrophobicContact CE1-CE2 3.96Å; F186-Y216 AromaticContact CE1-CZ 3.16Å; F186-Y216 WeakPolarHBondContact CE1-OH 3.34Å; F186-Y216 HydrophobicContact CE2-CD1 4.11Å; F186-Y216 AromaticContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CE2-CE1 3.44Å; F186-Y216 VanDerWaalsContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CG-CE1 4.39Å; F186-Y216 AromaticContact CZ-CD1 3.96Å; F186-Y216 HydrophobicContact CZ-CD1 3.96Å; F186-Y216 AromaticContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE2 4.41Å; F186-Y216 AromaticContact CZ-CZ 3.24Å; F186-Y216 WeakPolarHBondContact CZ-OH 3.28Å |
| 187 | V | 90.1 | Very high | 87.4 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -80.3 | 122.9 | 172.7 | -176.3 | 0 | 0 | 0 | 0 | 109 | C185 S189 C190 Y204 H208 | C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.11Å; V187-S189 VanDerWaalsContact CG1-OG 3.27Å; V187-S189 WeakPolarHBondContact CG1-OG 3.13Å; V187-S189 PolarHBondContact O-N 3.04Å; V187-C190 HydrophobicContact CB-CB 3.89Å; V187-C190 HydrophobicContact CG1-CB 4.4Å; V187-C190 PolarHBondContact O-N 3.03Å; V187-Y204 HydrophobicContact CG2-CD2 4.05Å; V187-Y204 HydrophobicContact CG2-CE2 3.49Å; V187-Y204 VanDerWaalsContact CG2-CE2 3.49Å; V187-H208 HydrophobicContact CG2-CB 4.24Å |
| 188 | P | 87 | Confident | 87.9 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 58% | 0.584 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.3 | -178.9 | -23.5 | 32.1 | 0 | 0 | 0 | 114.4 | H164 F186 C190 | H164-P188 HydrophobicContact CB-CB 4.28Å; H164-P188 HydrophobicContact CB-CG 3.79Å; F186-P188 WeakPolarHBondContact O-CD 3.36Å; P188-C190 VanDerWaalsContact C-N 3.33Å |
| 189 | S | 86.5 | Confident | 88.7 | Confident | 105 Ų | 105 | 72.5 Ų | 72.5 | 73% | 0.734 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -7.3 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | V187 | V187-S189 VanDerWaalsContact CG1-OG 3.27Å; V187-S189 WeakPolarHBondContact CG1-OG 3.13Å; V187-S189 PolarHBondContact O-N 3.04Å |
| 190 | C | 89.5 | Confident | 89.6 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | trans | -91.8 | 128.2 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | C185 V187 P188 H203 H208 | C185-C190 HydrophobicContact CB-CB 3.8Å; V187-C190 HydrophobicContact CB-CB 3.89Å; V187-C190 HydrophobicContact CG1-CB 4.4Å; V187-C190 PolarHBondContact O-N 3.03Å; P188-C190 VanDerWaalsContact C-N 3.33Å; C190-H203 PolarHBondContact SG-NE2 3Å; C190-H203 VanDerWaalsContact SG-NE2 3.36Å; C190-H208 WeakPolarHBondContact CB-NE2 3.42Å; C190-H208 PolarHBondContact SG-NE2 3.41Å | ||
| 191 | L | 90.4 | Very high | 90.1 | Very high | 160 Ų | 160 | 65.1 Ų | 65.1 | 84% | 0.838 | 36% | 0.36 | S | S | * | . | trans | -93.4 | 1.9 | -175 | -58.2 | -179.4 | 0 | 0 | 0 | 113.7 | ||||
| 192 | E | 93.1 | Very high | 90.9 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | trans | -69.9 | 138.5 | -178.2 | -68.6 | -62.8 | 140 | 0 | 0 | 112.3 | C185 F194 | C185-E192 PolarHBondContact N-O 3.17Å; E192-F194 HydrophobicContact CB-CE2 3.75Å; E192-F194 HydrophobicContact CB-CZ 3.54Å; E192-F194 HydrophobicContact CG-CZ 4.34Å | ||
| 193 | V | 93.9 | Very high | 91.2 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.7 | -179 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | R184 | R184-V193 HydrophobicContact CG-CG1 4.16Å; R184-V193 HydrophobicContact CG-CG2 3.96Å |
| 194 | F | 93.8 | Very high | 91.1 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.5 | -174 | -53.2 | -80.6 | 0 | 0 | 0 | 111.4 | F183 E192 D199 R200 H203 | F183-F194 HydrophobicContact CB-CB 4.26Å; F183-F194 PolarHBondContact N-O 3.44Å; F183-F194 VanDerWaalsContact O-CD2 3.32Å; F183-F194 WeakPolarHBondContact O-CD2 2.82Å; F183-F194 PolarHBondContact O-N 3.23Å; E192-F194 HydrophobicContact CB-CE2 3.75Å; E192-F194 HydrophobicContact CB-CZ 3.54Å; E192-F194 HydrophobicContact CG-CZ 4.34Å; F194-D199 HydrophobicContact CB-CB 4.13Å; F194-D199 HydrophobicContact CD1-CB 3.83Å; F194-D199 HydrophobicContact CG-CB 4.21Å; F194-R200 HydrophobicContact CB-CB 4.24Å; F194-R200 VanDerWaalsContact CD2-CA 3.46Å; F194-R200 HydrophobicContact CD2-CB 3.62Å; F194-R200 HydrophobicContact CD2-CG 4.12Å; F194-R200 HydrophobicContact CE2-CB 4.36Å; F194-R200 HydrophobicContact CG-CB 4.09Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.87Å; F194-H203 AromaticContact CE2-CD2 3.66Å; F194-H203 AromaticContact CE2-CG 3.75Å; F194-H203 HydrophobicContact CZ-CB 3.27Å; F194-H203 AromaticContact CZ-CD2 3.56Å; F194-H203 AromaticContact CZ-CG 3.18Å; F194-H203 AromaticContact CZ-ND1 3.64Å |
| 195 | S | 91.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -83.6 | -29.4 | 174.5 | 54 | 0 | 0 | 0 | 0 | 112.3 | F183 | F183-S195 WeakPolarHBondContact CD2-O 3.13Å; F183-S195 VanDerWaalsContact CE2-O 3.3Å; F183-S195 WeakPolarHBondContact CE2-O 3.18Å |
| 196 | L | 90.7 | Very high | 91.2 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -116.2 | 147.2 | 178.8 | -64.4 | 167.7 | 0 | 0 | 0 | 111.3 | F183 S198 D199 R200 | F183-L196 VanDerWaalsContact CD2-C 3.42Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 WeakPolarHBondContact CB-OG 3.17Å; L196-S198 PolarHBondContact O-N 3.41Å; L196-D199 PolarHBondContact O-N 2.62Å; L196-R200 PolarHBondContact O-N 2.93Å |
| 197 | Q | 90.4 | Very high | 91.4 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.5 | -26.3 | 176.2 | -170.9 | 169.6 | 82.1 | 0 | 0 | 112.4 | F183 R201 | F183-Q197 HydrophobicContact CD1-CB 4.24Å; F183-Q197 HydrophobicContact CD1-CG 4.49Å; F183-Q197 HydrophobicContact CE1-CB 3.98Å; F183-Q197 HydrophobicContact CE1-CG 4.37Å; F183-Q197 HydrophobicContact CE2-CB 4.25Å; F183-Q197 HydrophobicContact CG-CB 4.49Å; F183-Q197 HydrophobicContact CZ-CB 3.98Å; Q197-R201 PolarHBondContact O-N 2.97Å; Q197-R201 VanDerWaalsContact O-N 3.14Å |
| 198 | S | 90.9 | Very high | 91.5 | Very high | 59 Ų | 59 | 70.1 Ų | 70.1 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.5 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | L196 R200 R201 D202 | L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 WeakPolarHBondContact CB-OG 3.17Å; L196-S198 PolarHBondContact O-N 3.41Å; S198-R200 VanDerWaalsContact C-N 3.3Å; S198-R200 PolarHBondContact O-N 2.97Å; S198-R201 WeakPolarHBondContact O-CA 3.26Å; S198-R201 VanDerWaalsContact O-CB 3.26Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 3.46Å; S198-D202 PolarHBondContact O-N 3.14Å |
| 199 | D | 93.6 | Very high | 91.6 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 32% | 0.316 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | -174.9 | -52.2 | -12.4 | 0 | 0 | 0 | 110.4 | F194 L196 R201 D202 H203 | F194-D199 HydrophobicContact CB-CB 4.13Å; F194-D199 HydrophobicContact CD1-CB 3.83Å; F194-D199 HydrophobicContact CG-CB 4.21Å; L196-D199 PolarHBondContact O-N 2.62Å; D199-R201 VanDerWaalsContact C-N 3.32Å; D199-R201 PolarHBondContact O-N 3.29Å; D199-D202 PolarHBondContact O-N 3.14Å; D199-H203 VanDerWaalsContact O-CB 3.32Å; D199-H203 WeakPolarHBondContact O-CB 2.86Å; D199-H203 PolarHBondContact O-N 3.45Å |
| 200 | R | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 169.8 | 176.2 | 176.1 | 64.6 | -176.9 | 2.6 | 112 | E172 F183 R184 F186 F194 L196 S198 Y204 Y216 | E172-R200 VanDerWaalsContact CD-NH1 3.26Å; E172-R200 IonicContact OE1-CZ 3.65Å; E172-R200 IonicContact OE1-NH1 2.63Å; E172-R200 PolarHBondContact OE1-NH1 3.11Å; E172-R200 IonicContact OE1-NH2 3.82Å; E172-R200 IonicContact OE2-CZ 3.48Å; E172-R200 IonicContact OE2-NH1 3.18Å; E172-R200 PolarHBondContact OE2-NH1 3.14Å; E172-R200 IonicContact OE2-NH2 2.87Å; E172-R200 PolarHBondContact OE2-NH2 2.94Å; F183-R200 HydrophobicContact CB-CB 4.2Å; R184-R200 WeakPolarHBondContact O-CD 3.33Å; F186-R200 HydrophobicContact CE2-CG 4.14Å; F186-R200 HydrophobicContact CZ-CG 4.2Å; F194-R200 HydrophobicContact CB-CB 4.24Å; F194-R200 VanDerWaalsContact CD2-CA 3.46Å; F194-R200 HydrophobicContact CD2-CB 3.62Å; F194-R200 HydrophobicContact CD2-CG 4.12Å; F194-R200 HydrophobicContact CE2-CB 4.36Å; F194-R200 HydrophobicContact CG-CB 4.09Å; L196-R200 PolarHBondContact O-N 2.93Å; S198-R200 VanDerWaalsContact C-N 3.3Å; S198-R200 PolarHBondContact O-N 2.97Å; R200-Y204 VanDerWaalsContact O-CB 3.29Å; R200-Y204 WeakPolarHBondContact O-CB 3.3Å; R200-Y204 PolarHBondContact O-N 3.08Å; R200-Y216 PolarHBondContact NH2-OH 2.68Å |
| 201 | R | 90.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 179.8 | -175.4 | -169.6 | -172.4 | 82.3 | 1.6 | 110.1 | Q197 S198 D199 Y204 I205 P212 R215 | Q197-R201 PolarHBondContact O-N 2.97Å; Q197-R201 VanDerWaalsContact O-N 3.14Å; S198-R201 WeakPolarHBondContact O-CA 3.26Å; S198-R201 VanDerWaalsContact O-CB 3.26Å; S198-R201 WeakPolarHBondContact O-CB 3.4Å; S198-R201 PolarHBondContact O-N 3.46Å; D199-R201 VanDerWaalsContact C-N 3.32Å; D199-R201 PolarHBondContact O-N 3.29Å; R201-Y204 PolarHBondContact O-N 3.12Å; R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 VanDerWaalsContact O-CG1 3.3Å; R201-I205 WeakPolarHBondContact O-CG1 3.11Å; R201-I205 PolarHBondContact O-N 3.36Å; R201-P212 PolarHBondContact NH2-O 3.37Å; R201-R215 VanDerWaalsContact NH2-CZ 3.35Å |
| 202 | D | 93.2 | Very high | 90.8 | Very high | 91 Ų | 91 | 68.8 Ų | 68.8 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | -179.4 | -67.1 | -18.5 | 0 | 0 | 0 | 111.1 | S198 D199 Y204 I205 T206 | S198-D202 PolarHBondContact O-N 3.14Å; D199-D202 PolarHBondContact O-N 3.14Å; D202-Y204 PolarHBondContact O-N 2.83Å; D202-I205 PolarHBondContact O-N 3.47Å; D202-T206 WeakPolarHBondContact O-CB 3.17Å; D202-T206 VanDerWaalsContact O-CG2 3.28Å; D202-T206 WeakPolarHBondContact O-CG2 3.27Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.16Å |
| 203 | H | 94.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.4 | 166.4 | 81.2 | 0 | 0 | 0 | 111.9 | C185 C190 F194 D199 I205 T206 V207 H208 | C185-H203 VanDerWaalsContact SG-CD2 3.59Å; C185-H203 PolarHBondContact SG-NE2 3.43Å; C185-H203 VanDerWaalsContact SG-NE2 3.44Å; C190-H203 PolarHBondContact SG-NE2 3Å; C190-H203 VanDerWaalsContact SG-NE2 3.36Å; F194-H203 HydrophobicContact CE1-CB 3.78Å; F194-H203 HydrophobicContact CE2-CB 3.87Å; F194-H203 AromaticContact CE2-CD2 3.66Å; F194-H203 AromaticContact CE2-CG 3.75Å; F194-H203 HydrophobicContact CZ-CB 3.27Å; F194-H203 AromaticContact CZ-CD2 3.56Å; F194-H203 AromaticContact CZ-CG 3.18Å; F194-H203 AromaticContact CZ-ND1 3.64Å; D199-H203 VanDerWaalsContact O-CB 3.32Å; D199-H203 WeakPolarHBondContact O-CB 2.86Å; D199-H203 PolarHBondContact O-N 3.45Å; H203-I205 VanDerWaalsContact C-N 3.3Å; H203-I205 PolarHBondContact O-N 3.45Å; H203-T206 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-OG1 3.38Å; H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.39Å; H203-V207 VanDerWaalsContact O-CB 3.24Å; H203-V207 WeakPolarHBondContact O-CB 3.29Å; H203-V207 PolarHBondContact O-N 3.39Å; H203-H208 AromaticContact NE2-CD2 3.69Å; H203-H208 AromaticContact NE2-NE2 3.47Å; H203-H208 PolarHBondContact NE2-NE2 3.36Å |
| 204 | Y | 89.5 | Confident | 89 | Confident | 22 Ų | 22 | 70 Ų | 70 | 9% | 0.086 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69 | -30.4 | -175.4 | -173.6 | -108.2 | 0 | 0 | 0 | 112.9 | F186 V187 R200 R201 D202 H208 F210 F214 | F186-Y204 HydrophobicContact CB-CD2 4.03Å; F186-Y204 HydrophobicContact CB-CE1 4.5Å; F186-Y204 HydrophobicContact CB-CE2 3.61Å; F186-Y204 AromaticContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD1 3.86Å; F186-Y204 HydrophobicContact CD2-CD2 4.12Å; F186-Y204 HydrophobicContact CD2-CE1 4Å; F186-Y204 HydrophobicContact CD2-CE2 4.27Å; F186-Y204 AromaticContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CD2-CG 3.88Å; F186-Y204 HydrophobicContact CG-CE2 4.47Å; V187-Y204 HydrophobicContact CG2-CD2 4.05Å; V187-Y204 HydrophobicContact CG2-CE2 3.49Å; V187-Y204 VanDerWaalsContact CG2-CE2 3.49Å; R200-Y204 VanDerWaalsContact O-CB 3.29Å; R200-Y204 WeakPolarHBondContact O-CB 3.3Å; R200-Y204 PolarHBondContact O-N 3.08Å; R201-Y204 PolarHBondContact O-N 3.12Å; D202-Y204 PolarHBondContact O-N 2.83Å; Y204-H208 HydrophobicContact CD2-CB 4.01Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 HydrophobicContact CE2-CB 4.25Å; Y204-H208 CarbonylContact O-C 3.57Å; Y204-H208 WeakPolarHBondContact O-CB 3.4Å; Y204-H208 PolarHBondContact O-N 2.84Å; Y204-F210 HydrophobicContact CD1-CB 3.51Å; Y204-F210 HydrophobicContact CD1-CD1 4.28Å; Y204-F210 AromaticContact CD1-CD2 3.85Å; Y204-F210 HydrophobicContact CD1-CD2 3.85Å; Y204-F210 AromaticContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD2-CD2 4.08Å; Y204-F210 HydrophobicContact CD2-CE2 4.4Å; Y204-F210 HydrophobicContact CE1-CB 3.34Å; Y204-F210 AromaticContact CE1-CD1 3.24Å; Y204-F210 HydrophobicContact CE1-CD1 3.24Å; Y204-F210 AromaticContact CE1-CD2 3.31Å; Y204-F210 HydrophobicContact CE1-CD2 3.31Å; Y204-F210 AromaticContact CE1-CE1 3.84Å; Y204-F210 HydrophobicContact CE1-CE1 3.84Å; Y204-F210 AromaticContact CE1-CE2 3.89Å; Y204-F210 HydrophobicContact CE1-CE2 3.89Å; Y204-F210 AromaticContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CZ 4.14Å; Y204-F210 AromaticContact CE2-CD2 3.55Å; Y204-F210 HydrophobicContact CE2-CD2 3.55Å; Y204-F210 AromaticContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CG 4.12Å; Y204-F210 HydrophobicContact CE2-CZ 4.07Å; Y204-F210 HydrophobicContact CG-CB 4.44Å; Y204-F210 HydrophobicContact CG-CD2 4.23Å; Y204-F210 HydrophobicContact CG-CG 4.43Å; Y204-F210 AromaticContact CZ-CD1 3.45Å; Y204-F210 VanDerWaalsContact CZ-CD1 3.45Å; Y204-F210 AromaticContact CZ-CD2 3.15Å; Y204-F210 AromaticContact CZ-CE1 3.52Å; Y204-F210 AromaticContact CZ-CE2 3.23Å; Y204-F210 AromaticContact CZ-CG 3.28Å; Y204-F210 AromaticContact CZ-CZ 3.43Å; Y204-F210 VanDerWaalsContact CZ-CZ 3.43Å; Y204-F210 PolarHBondContact O-N 3.36Å; Y204-F210 VanDerWaalsContact OH-CD1 3.26Å; Y204-F210 WeakPolarHBondContact OH-CD1 3.11Å; Y204-F210 WeakPolarHBondContact OH-CE1 3.49Å; Y204-F210 WeakPolarHBondContact OH-CE2 3.24Å; Y204-F210 WeakPolarHBondContact OH-CZ 3.5Å; Y204-F214 AromaticContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CE1 4.19Å |
| 205 | I | 91.3 | Very high | 87.9 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73 | -47.7 | 172 | -66.8 | 166.8 | 0 | 0 | 0 | 110.6 | R201 D202 H203 N209 P212 | R201-I205 HydrophobicContact CG-CD1 3.84Å; R201-I205 VanDerWaalsContact O-CG1 3.3Å; R201-I205 WeakPolarHBondContact O-CG1 3.11Å; R201-I205 PolarHBondContact O-N 3.36Å; D202-I205 PolarHBondContact O-N 3.47Å; H203-I205 VanDerWaalsContact C-N 3.3Å; H203-I205 PolarHBondContact O-N 3.45Å; I205-N209 WeakPolarHBondContact O-CA 3.34Å; I205-N209 PolarHBondContact O-N 3.36Å; I205-N209 VanDerWaalsContact O-N 3.08Å; I205-P212 HydrophobicContact CD1-CB 4.11Å |
| 206 | T | 93.8 | Very high | 86.5 | Confident | 97 Ų | 97 | 73.9 Ų | 73.9 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -79.2 | -37.9 | -171.5 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | D202 H203 | D202-T206 WeakPolarHBondContact O-CB 3.17Å; D202-T206 VanDerWaalsContact O-CG2 3.28Å; D202-T206 WeakPolarHBondContact O-CG2 3.27Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.16Å; H203-T206 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-OG1 3.38Å |
| 207 | V | 93.3 | Very high | 85 | Confident | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -42 | -176.8 | 179 | 0 | 0 | 0 | 0 | 111.3 | H203 | H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.39Å; H203-V207 VanDerWaalsContact O-CB 3.24Å; H203-V207 WeakPolarHBondContact O-CB 3.29Å; H203-V207 PolarHBondContact O-N 3.39Å |
| 208 | H | 92.3 | Very high | 83.1 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.3 | -177.9 | -61.3 | -66.4 | 0 | 0 | 0 | 113.7 | C185 V187 C190 H203 Y204 F210 | C185-H208 VanDerWaalsContact SG-CD2 3.58Å; C185-H208 PolarHBondContact SG-NE2 3.45Å; C185-H208 VanDerWaalsContact SG-NE2 3.41Å; V187-H208 HydrophobicContact CG2-CB 4.24Å; C190-H208 WeakPolarHBondContact CB-NE2 3.42Å; C190-H208 PolarHBondContact SG-NE2 3.41Å; H203-H208 AromaticContact NE2-CD2 3.69Å; H203-H208 AromaticContact NE2-NE2 3.47Å; H203-H208 PolarHBondContact NE2-NE2 3.36Å; Y204-H208 HydrophobicContact CD2-CB 4.01Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 HydrophobicContact CE2-CB 4.25Å; Y204-H208 CarbonylContact O-C 3.57Å; Y204-H208 WeakPolarHBondContact O-CB 3.4Å; Y204-H208 PolarHBondContact O-N 2.84Å; H208-F210 HydrophobicContact CB-CD2 3.58Å; H208-F210 HydrophobicContact CB-CE2 3.81Å; H208-F210 WeakPolarHBondContact O-CD2 3.32Å; H208-F210 PolarHBondContact O-N 3.41Å; H208-F210 VanDerWaalsContact O-N 3.16Å |
| 209 | N | 89 | Confident | 80.7 | Confident | 136 Ų | 136 | 76.8 Ų | 76.8 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | trans | 54.8 | 31.4 | 176.4 | -62.2 | -60.6 | 0 | 0 | 0 | 113.9 | I205 | I205-N209 WeakPolarHBondContact O-CA 3.34Å; I205-N209 PolarHBondContact O-N 3.36Å; I205-N209 VanDerWaalsContact O-N 3.08Å | ||
| 210 | F | 84.6 | Confident | 77.9 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | trans | -72.4 | 145.5 | 174.9 | -85.6 | -100.2 | 0 | 0 | 0 | 111.1 | Y204 H208 F214 | Y204-F210 HydrophobicContact CD1-CB 3.51Å; Y204-F210 HydrophobicContact CD1-CD1 4.28Å; Y204-F210 AromaticContact CD1-CD2 3.85Å; Y204-F210 HydrophobicContact CD1-CD2 3.85Å; Y204-F210 AromaticContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD1-CG 3.61Å; Y204-F210 HydrophobicContact CD2-CD2 4.08Å; Y204-F210 HydrophobicContact CD2-CE2 4.4Å; Y204-F210 HydrophobicContact CE1-CB 3.34Å; Y204-F210 AromaticContact CE1-CD1 3.24Å; Y204-F210 HydrophobicContact CE1-CD1 3.24Å; Y204-F210 AromaticContact CE1-CD2 3.31Å; Y204-F210 HydrophobicContact CE1-CD2 3.31Å; Y204-F210 AromaticContact CE1-CE1 3.84Å; Y204-F210 HydrophobicContact CE1-CE1 3.84Å; Y204-F210 AromaticContact CE1-CE2 3.89Å; Y204-F210 HydrophobicContact CE1-CE2 3.89Å; Y204-F210 AromaticContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CG 2.95Å; Y204-F210 HydrophobicContact CE1-CZ 4.14Å; Y204-F210 AromaticContact CE2-CD2 3.55Å; Y204-F210 HydrophobicContact CE2-CD2 3.55Å; Y204-F210 AromaticContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CE2 3.52Å; Y204-F210 HydrophobicContact CE2-CG 4.12Å; Y204-F210 HydrophobicContact CE2-CZ 4.07Å; Y204-F210 HydrophobicContact CG-CB 4.44Å; Y204-F210 HydrophobicContact CG-CD2 4.23Å; Y204-F210 HydrophobicContact CG-CG 4.43Å; Y204-F210 AromaticContact CZ-CD1 3.45Å; Y204-F210 VanDerWaalsContact CZ-CD1 3.45Å; Y204-F210 AromaticContact CZ-CD2 3.15Å; Y204-F210 AromaticContact CZ-CE1 3.52Å; Y204-F210 AromaticContact CZ-CE2 3.23Å; Y204-F210 AromaticContact CZ-CG 3.28Å; Y204-F210 AromaticContact CZ-CZ 3.43Å; Y204-F210 VanDerWaalsContact CZ-CZ 3.43Å; Y204-F210 PolarHBondContact O-N 3.36Å; Y204-F210 VanDerWaalsContact OH-CD1 3.26Å; Y204-F210 WeakPolarHBondContact OH-CD1 3.11Å; Y204-F210 WeakPolarHBondContact OH-CE1 3.49Å; Y204-F210 WeakPolarHBondContact OH-CE2 3.24Å; Y204-F210 WeakPolarHBondContact OH-CZ 3.5Å; H208-F210 HydrophobicContact CB-CD2 3.58Å; H208-F210 HydrophobicContact CB-CE2 3.81Å; H208-F210 WeakPolarHBondContact O-CD2 3.32Å; H208-F210 PolarHBondContact O-N 3.41Å; H208-F210 VanDerWaalsContact O-N 3.16Å; F210-F214 HydrophobicContact CD1-CD1 4.01Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE1 4.13Å; F210-F214 HydrophobicContact CD1-CE2 4.42Å; F210-F214 HydrophobicContact CD1-CG 4.09Å; F210-F214 HydrophobicContact CD1-CZ 4.33Å; F210-F214 HydrophobicContact CE1-CE1 4.31Å; F210-F214 HydrophobicContact CE1-CE2 4.48Å; F210-F214 HydrophobicContact CE1-CZ 4.23Å | ||
| 211 | P | 86.1 | Confident | 75 | Confident | 66 Ų | 66 | 88.5 Ų | 88.5 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | trans | -67.3 | 141.6 | -178.4 | 28.1 | -32.3 | 0 | 0 | 0 | 110.1 | D213 F214 | P211-D213 WeakPolarHBondContact CB-OD1 3.26Å; P211-D213 PolarHBondContact O-N 2.88Å; P211-D213 VanDerWaalsContact O-N 3.14Å; P211-F214 HydrophobicContact CG-CB 4.12Å; P211-F214 WeakPolarHBondContact O-CB 3.46Å; P211-F214 PolarHBondContact O-N 3.38Å | ||
| 212 | P | 79.2 | Confident | 74.3 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16 | -170.4 | 26.8 | -35.4 | 0 | 0 | 0 | 113.5 | R201 I205 | R201-P212 PolarHBondContact NH2-O 3.37Å; I205-P212 HydrophobicContact CD1-CB 4.11Å |
| 213 | D | 77.6 | Confident | 73.3 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 1 | 173.4 | 65.5 | -33.1 | 0 | 0 | 0 | 113 | P211 R215 | P211-D213 WeakPolarHBondContact CB-OD1 3.26Å; P211-D213 PolarHBondContact O-N 2.88Å; P211-D213 VanDerWaalsContact O-N 3.14Å; D213-R215 WeakPolarHBondContact O-CG 3.32Å; D213-R215 PolarHBondContact O-N 2.9Å |
| 214 | F | 71.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | trans | -60.6 | 119.9 | 177.6 | -169.5 | -105.9 | 0 | 0 | 0 | 111.2 | Y204 F210 P211 | Y204-F214 AromaticContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CD1 3.98Å; Y204-F214 HydrophobicContact CE1-CE1 4.19Å; F210-F214 HydrophobicContact CD1-CD1 4.01Å; F210-F214 HydrophobicContact CD1-CD2 4.29Å; F210-F214 HydrophobicContact CD1-CE1 4.13Å; F210-F214 HydrophobicContact CD1-CE2 4.42Å; F210-F214 HydrophobicContact CD1-CG 4.09Å; F210-F214 HydrophobicContact CD1-CZ 4.33Å; F210-F214 HydrophobicContact CE1-CE1 4.31Å; F210-F214 HydrophobicContact CE1-CE2 4.48Å; F210-F214 HydrophobicContact CE1-CZ 4.23Å; P211-F214 HydrophobicContact CG-CB 4.12Å; P211-F214 WeakPolarHBondContact O-CB 3.46Å; P211-F214 PolarHBondContact O-N 3.38Å | ||
| 215 | R | 69.3 | Low | 71.1 | Confident | 146 Ų | 146 | 96.8 Ų | 96.8 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | trans | -125.6 | 109.2 | 177 | -58 | -66.6 | 177.3 | -173.4 | -6 | 109.6 | R201 D213 T218 | R201-R215 VanDerWaalsContact NH2-CZ 3.35Å; D213-R215 WeakPolarHBondContact O-CG 3.32Å; D213-R215 PolarHBondContact O-N 2.9Å; R215-T218 HydrophobicContact CB-CG2 4.27Å; R215-T218 WeakPolarHBondContact CB-OG1 3.41Å; R215-T218 HydrophobicContact CG-CG2 4.48Å | ||
| 216 | Y | 63.2 | Low | 69.8 | Low | 44 Ų | 44 | 100.1 Ų | 100.1 | 17% | 0.173 | 56% | 0.561 | C | S | . | * | S | Bend | trans | -85.1 | -25.3 | 167.5 | 68.3 | -82.8 | 0 | 0 | 0 | 111.6 | L165 F186 R200 T218 | L165-Y216 HydrophobicContact CD2-CD2 4.49Å; F186-Y216 HydrophobicContact CD1-CD1 4.41Å; F186-Y216 AromaticContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD1-CE1 3.97Å; F186-Y216 HydrophobicContact CD2-CD1 4.44Å; F186-Y216 HydrophobicContact CD2-CE1 4.14Å; F186-Y216 HydrophobicContact CE1-CD1 4.1Å; F186-Y216 AromaticContact CE1-CE1 3.25Å; F186-Y216 HydrophobicContact CE1-CE1 3.25Å; F186-Y216 AromaticContact CE1-CE2 3.96Å; F186-Y216 HydrophobicContact CE1-CE2 3.96Å; F186-Y216 AromaticContact CE1-CZ 3.16Å; F186-Y216 WeakPolarHBondContact CE1-OH 3.34Å; F186-Y216 HydrophobicContact CE2-CD1 4.11Å; F186-Y216 AromaticContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CE2-CE1 3.44Å; F186-Y216 VanDerWaalsContact CE2-CE1 3.44Å; F186-Y216 HydrophobicContact CG-CE1 4.39Å; F186-Y216 AromaticContact CZ-CD1 3.96Å; F186-Y216 HydrophobicContact CZ-CD1 3.96Å; F186-Y216 AromaticContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE1 2.95Å; F186-Y216 HydrophobicContact CZ-CE2 4.41Å; F186-Y216 AromaticContact CZ-CZ 3.24Å; F186-Y216 WeakPolarHBondContact CZ-OH 3.28Å; R200-Y216 PolarHBondContact NH2-OH 2.68Å; Y216-T218 VanDerWaalsContact C-N 3.33Å; Y216-T218 PolarHBondContact O-N 2.87Å |
| 217 | D | 58.2 | Low | 68.3 | Low | 58 Ų | 58 | 100.3 Ų | 100.3 | 31% | 0.31 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -74.5 | -13.9 | -176.8 | -84.2 | -35.1 | 0 | 0 | 0 | 114.8 | ||
| 218 | T | 50 | Low | 66.5 | Low | 84 Ų | 84 | 101.6 Ų | 101.6 | 52% | 0.515 | 56% | 0.563 | S | S | . | * | trans | -101.1 | 36.9 | -171.2 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | R215 Y216 N220 | R215-T218 HydrophobicContact CB-CG2 4.27Å; R215-T218 WeakPolarHBondContact CB-OG1 3.41Å; R215-T218 HydrophobicContact CG-CG2 4.48Å; Y216-T218 VanDerWaalsContact C-N 3.33Å; Y216-T218 PolarHBondContact O-N 2.87Å; T218-N220 VanDerWaalsContact C-N 3.27Å; T218-N220 PolarHBondContact O-N 3.32Å; T218-N220 VanDerWaalsContact O-N 3.07Å | ||
| 219 | R | 41.7 | Very low | 64.5 | Low | 170 Ų | 170 | 105.3 Ų | 105.3 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | trans | -78.2 | 90.7 | 155.2 | -96.9 | -176.6 | 167.4 | 175.2 | -4.9 | 108.7 | ||||
| 220 | N | 34.3 | Very low | 62.4 | Low | 150 Ų | 150 | 102.8 Ų | 102.8 | 80% | 0.802 | 58% | 0.576 | S | S | * | * | trans | -49.6 | 143.3 | 166.4 | -76.3 | -21.3 | 0 | 0 | 0 | 111.4 | T218 | T218-N220 VanDerWaalsContact C-N 3.27Å; T218-N220 PolarHBondContact O-N 3.32Å; T218-N220 VanDerWaalsContact O-N 3.07Å | ||
| 221 | G | 33.3 | Very low | 60.4 | Low | 157 Ų | 157 | 106.5 Ų | 106.5 | 100% | 1.619 | 60% | 0.604 | S | S | * | * | trans | 71.9 | 0 | 145.5 | 0 | 0 | 0 | 0 | 0 | 116.4 |
Retrieved 221 of 221 residues in 658.2 ms
(Link to these results)