| 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 | 41.4 | Very low | 50.9 | Low | 226 Ų | 226 | 127.7 Ų | 127.7 | 100% | 1.113 | 69% | 0.687 | S | S | * | * | 0 | 120.8 | 0 | -62.7 | -49.2 | -159.2 | 0 | 0 | 108.3 | |||||
| 2 | P | 48.5 | Very low | 51.5 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 147.5 | 162.6 | 31.9 | -32.9 | 0 | 0 | 0 | 109.4 | Y4 | P2-Y4 HydrophobicContact CG-CE2 4.09Å; P2-Y4 PolarHBondContact O-N 3.38Å |
| 3 | F | 50.9 | Low | 52.4 | Low | 213 Ų | 213 | 117.7 Ų | 117.7 | 93% | 0.934 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 120.9 | 164.5 | -93.5 | -105.5 | 0 | 0 | 0 | 108.2 | ||
| 4 | Y | 43.5 | Very low | 53.4 | Low | 196 Ų | 196 | 118.9 Ų | 118.9 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 141 | 162.4 | -80 | -103.1 | 0 | 0 | 0 | 108.7 | P2 | P2-Y4 HydrophobicContact CG-CE2 4.09Å; P2-Y4 PolarHBondContact O-N 3.38Å |
| 5 | P | 54.6 | Low | 54.7 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 153.5 | 161.7 | 31.3 | -34 | 0 | 0 | 0 | 109.4 | ||
| 6 | P | 53.2 | Low | 56.1 | Low | 95 Ų | 95 | 113 Ų | 113 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136 | 172.7 | 28.5 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 7 | D | 49.6 | Very low | 57.7 | Low | 126 Ų | 126 | 113.3 Ų | 113.3 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.4 | 175.9 | -60.4 | -67.5 | 0 | 0 | 0 | 110.8 | A9 S10 | D7-A9 PolarHBondContact O-N 3.11Å; D7-S10 PolarHBondContact O-N 3.3Å; D7-S10 PolarHBondContact O-OG 2.89Å |
| 8 | D | 52.9 | Low | 59.1 | Low | 138 Ų | 138 | 111.2 Ų | 111.2 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -53.1 | -27.6 | 177.5 | -84.1 | -52.3 | 0 | 0 | 0 | 113.1 | S10 I11 S12 | D8-S10 VanDerWaalsContact C-N 3.28Å; D8-S10 PolarHBondContact O-N 2.93Å; D8-I11 PolarHBondContact O-N 3.41Å; D8-S12 PolarHBondContact O-N 2.89Å |
| 9 | A | 55.6 | Low | 60.6 | Low | 71 Ų | 71 | 108.8 Ų | 108.8 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.4 | -31 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D7 S12 S13 | D7-A9 PolarHBondContact O-N 3.11Å; A9-S12 PolarHBondContact O-OG 2.79Å; A9-S13 PolarHBondContact O-N 3.08Å |
| 10 | S | 54.6 | Low | 61.9 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.9 | -38.4 | 176.7 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | D7 D8 S13 E14 | D7-S10 PolarHBondContact O-N 3.3Å; D7-S10 PolarHBondContact O-OG 2.89Å; D8-S10 VanDerWaalsContact C-N 3.28Å; D8-S10 PolarHBondContact O-N 2.93Å; S10-S13 PolarHBondContact O-N 3.26Å; S10-E14 PolarHBondContact O-N 3.02Å |
| 11 | I | 54.8 | Low | 63.3 | Low | 79 Ų | 79 | 108.8 Ų | 108.8 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 175.8 | -54.6 | 176.8 | 0 | 0 | 0 | 110.5 | D8 E14 T15 | D8-I11 PolarHBondContact O-N 3.41Å; I11-E14 PolarHBondContact O-N 3.18Å; I11-T15 WeakPolarHBondContact O-CG2 3.18Å; I11-T15 PolarHBondContact O-N 3.11Å; I11-T15 PolarHBondContact O-OG1 2.63Å |
| 12 | S | 58.2 | Low | 65.7 | Low | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | D8 A9 T15 S16 | D8-S12 PolarHBondContact O-N 2.89Å; A9-S12 PolarHBondContact O-OG 2.79Å; S12-T15 PolarHBondContact O-N 3.32Å; S12-T15 PolarHBondContact O-OG1 3.3Å; S12-S16 PolarHBondContact O-N 3.09Å; S12-S16 VanDerWaalsContact O-N 3.08Å |
| 13 | S | 63 | Low | 67.8 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -51.5 | 173.1 | -159.3 | 0 | 0 | 0 | 0 | 111.8 | A9 S10 T15 S16 E17 | A9-S13 PolarHBondContact O-N 3.08Å; S10-S13 PolarHBondContact O-N 3.26Å; S13-T15 VanDerWaalsContact C-N 3.28Å; S13-T15 PolarHBondContact O-N 2.81Å; S13-S16 WeakPolarHBondContact O-CB 3.33Å; S13-S16 PolarHBondContact O-N 2.88Å; S13-E17 WeakPolarHBondContact O-CG 3.44Å; S13-E17 PolarHBondContact O-N 3.08Å; S13-E17 PolarHBondContact OG-OE1 3.28Å |
| 14 | E | 66.6 | Low | 69.8 | Low | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -35.8 | -178.2 | -171.9 | 173.8 | -159 | 0 | 0 | 112.3 | S10 I11 M18 | S10-E14 PolarHBondContact O-N 3.02Å; I11-E14 PolarHBondContact O-N 3.18Å; E14-M18 WeakPolarHBondContact O-CB 3.44Å; E14-M18 PolarHBondContact O-N 3.16Å |
| 15 | T | 73.2 | Confident | 72.2 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 173.3 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | I11 S12 S13 F19 | I11-T15 WeakPolarHBondContact O-CG2 3.18Å; I11-T15 PolarHBondContact O-N 3.11Å; I11-T15 PolarHBondContact O-OG1 2.63Å; S12-T15 PolarHBondContact O-N 3.32Å; S12-T15 PolarHBondContact O-OG1 3.3Å; S13-T15 VanDerWaalsContact C-N 3.28Å; S13-T15 PolarHBondContact O-N 2.81Å; T15-F19 WeakPolarHBondContact O-CB 3.4Å; T15-F19 PolarHBondContact O-N 3Å |
| 16 | S | 77.6 | Confident | 74.2 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.6 | -45.8 | 176.2 | -162.9 | 0 | 0 | 0 | 0 | 111.5 | S12 S13 M18 F19 E20 | S12-S16 PolarHBondContact O-N 3.09Å; S12-S16 VanDerWaalsContact O-N 3.08Å; S13-S16 WeakPolarHBondContact O-CB 3.33Å; S13-S16 PolarHBondContact O-N 2.88Å; S16-M18 VanDerWaalsContact C-N 3.32Å; S16-M18 PolarHBondContact O-N 3.15Å; S16-F19 WeakPolarHBondContact O-CB 3.43Å; S16-F19 PolarHBondContact O-N 3.2Å; S16-F19 VanDerWaalsContact O-N 3.1Å; S16-E20 PolarHBondContact O-N 2.76Å |
| 17 | E | 82.4 | Confident | 76.2 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.1 | -40 | 176.8 | -70.2 | 168.1 | -128 | 0 | 0 | 111.8 | S13 R21 | S13-E17 WeakPolarHBondContact O-CG 3.44Å; S13-E17 PolarHBondContact O-N 3.08Å; S13-E17 PolarHBondContact OG-OE1 3.28Å; E17-R21 VanDerWaalsContact O-CB 3.31Å; E17-R21 WeakPolarHBondContact O-CB 3.33Å; E17-R21 PolarHBondContact O-N 3.07Å |
| 18 | M | 82.9 | Confident | 78.3 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 173.6 | 176 | 151.8 | 52.2 | 0 | 0 | 112.4 | E14 S16 R21 D22 | E14-M18 WeakPolarHBondContact O-CB 3.44Å; E14-M18 PolarHBondContact O-N 3.16Å; S16-M18 VanDerWaalsContact C-N 3.32Å; S16-M18 PolarHBondContact O-N 3.15Å; M18-R21 PolarHBondContact SD-NH2 3.49Å; M18-R21 VanDerWaalsContact SD-NH2 3.39Å; M18-D22 WeakPolarHBondContact O-CB 3.38Å; M18-D22 PolarHBondContact O-N 3.11Å |
| 19 | F | 87.4 | Confident | 80.4 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 174.9 | 178 | -95 | 0 | 0 | 0 | 111.8 | T15 S16 R21 D22 V23 L106 H109 | T15-F19 WeakPolarHBondContact O-CB 3.4Å; T15-F19 PolarHBondContact O-N 3Å; S16-F19 WeakPolarHBondContact O-CB 3.43Å; S16-F19 PolarHBondContact O-N 3.2Å; S16-F19 VanDerWaalsContact O-N 3.1Å; F19-R21 VanDerWaalsContact C-N 3.33Å; F19-R21 PolarHBondContact O-N 3.2Å; F19-D22 PolarHBondContact O-N 2.75Å; F19-D22 VanDerWaalsContact O-N 3.13Å; F19-V23 HydrophobicContact CD1-CG2 4.24Å; F19-V23 HydrophobicContact CE1-CG2 3.76Å; F19-V23 HydrophobicContact CE2-CG2 4.22Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 WeakPolarHBondContact O-CG2 3.28Å; F19-V23 PolarHBondContact O-N 3.41Å; F19-L106 HydrophobicContact CD2-CD2 3.5Å; F19-L106 VanDerWaalsContact CD2-CD2 3.5Å; F19-L106 HydrophobicContact CE2-CD2 3.31Å; F19-L106 HydrophobicContact CG-CD2 4.47Å; F19-L106 HydrophobicContact CZ-CD2 4.18Å; F19-H109 HydrophobicContact CE2-CB 3.41Å; F19-H109 VanDerWaalsContact CE2-CB 3.41Å; F19-H109 AromaticContact CE2-CG 3.57Å; F19-H109 AromaticContact CE2-ND1 3.76Å; F19-H109 HydrophobicContact CZ-CB 3.49Å; F19-H109 VanDerWaalsContact CZ-CB 3.49Å |
| 20 | E | 87.9 | Confident | 82.4 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.2 | -42.8 | 177.5 | -73.8 | -178.9 | -152.8 | 0 | 0 | 112.1 | S16 D22 V23 N24 | S16-E20 PolarHBondContact O-N 2.76Å; E20-D22 VanDerWaalsContact C-N 3.32Å; E20-D22 PolarHBondContact O-N 3.29Å; E20-V23 PolarHBondContact O-N 3.45Å; E20-N24 VanDerWaalsContact O-CB 3.28Å; E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 3.15Å |
| 21 | R | 90.4 | Very high | 84.4 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.8 | -176.3 | -172 | 67.1 | -164.1 | -8.4 | 111.9 | E17 M18 F19 N24 T25 P202 | E17-R21 VanDerWaalsContact O-CB 3.31Å; E17-R21 WeakPolarHBondContact O-CB 3.33Å; E17-R21 PolarHBondContact O-N 3.07Å; M18-R21 PolarHBondContact SD-NH2 3.49Å; M18-R21 VanDerWaalsContact SD-NH2 3.39Å; F19-R21 VanDerWaalsContact C-N 3.33Å; F19-R21 PolarHBondContact O-N 3.2Å; R21-N24 PolarHBondContact O-N 3.03Å; R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.39Å; R21-T25 PolarHBondContact O-N 2.97Å; R21-T25 PolarHBondContact O-OG1 3.34Å; R21-P202 WeakPolarHBondContact CD-O 3.46Å; R21-P202 HydrophobicContact CG-CB 4.03Å |
| 22 | D | 92.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | -177.7 | -74.9 | -1.9 | 0 | 0 | 0 | 111.4 | M18 F19 E20 T25 L26 L102 K105 L106 | M18-D22 WeakPolarHBondContact O-CB 3.38Å; M18-D22 PolarHBondContact O-N 3.11Å; F19-D22 PolarHBondContact O-N 2.75Å; F19-D22 VanDerWaalsContact O-N 3.13Å; E20-D22 VanDerWaalsContact C-N 3.32Å; E20-D22 PolarHBondContact O-N 3.29Å; D22-T25 PolarHBondContact O-N 3.06Å; D22-L26 WeakPolarHBondContact O-CB 3.43Å; D22-L26 PolarHBondContact O-N 2.9Å; D22-L102 HydrophobicContact CB-CD2 3.85Å; D22-K105 WeakPolarHBondContact OD2-CE 3.35Å; D22-K105 IonicContact OD2-NZ 3.62Å; D22-K105 PolarHBondContact OD2-NZ 3.29Å; D22-L106 HydrophobicContact CB-CD2 4.25Å |
| 23 | V | 91.8 | Very high | 88.2 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 170.8 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | F19 E20 T25 L26 N27 L106 | F19-V23 HydrophobicContact CD1-CG2 4.24Å; F19-V23 HydrophobicContact CE1-CG2 3.76Å; F19-V23 HydrophobicContact CE2-CG2 4.22Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 WeakPolarHBondContact O-CG2 3.28Å; F19-V23 PolarHBondContact O-N 3.41Å; E20-V23 PolarHBondContact O-N 3.45Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 2.81Å; V23-L26 PolarHBondContact O-N 2.98Å; V23-N27 PolarHBondContact O-N 2.91Å; V23-N27 PolarHBondContact O-ND2 3.42Å; V23-L106 HydrophobicContact CG2-CD1 4.01Å; V23-L106 HydrophobicContact CG2-CD2 3.92Å |
| 24 | N | 93.4 | Very high | 89.8 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.9 | -172 | 6.7 | 0 | 0 | 0 | 111.5 | E20 R21 N27 R28 | E20-N24 VanDerWaalsContact O-CB 3.28Å; E20-N24 WeakPolarHBondContact O-CB 3.44Å; E20-N24 PolarHBondContact O-N 3.15Å; R21-N24 PolarHBondContact O-N 3.03Å; N24-N27 PolarHBondContact O-N 3Å; N24-R28 PolarHBondContact O-N 3.41Å |
| 25 | T | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 175 | -58.1 | 0 | 0 | 0 | 0 | 112 | R21 D22 V23 R28 C29 L98 L102 F196 P202 | R21-T25 VanDerWaalsContact O-CB 3.3Å; R21-T25 WeakPolarHBondContact O-CB 3.39Å; R21-T25 PolarHBondContact O-N 2.97Å; R21-T25 PolarHBondContact O-OG1 3.34Å; D22-T25 PolarHBondContact O-N 3.06Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 PolarHBondContact O-N 2.81Å; T25-R28 PolarHBondContact O-N 2.97Å; T25-C29 PolarHBondContact O-N 3.2Å; T25-C29 PolarHBondContact O-SG 2.73Å; T25-L98 HydrophobicContact CG2-CD2 3.9Å; T25-L102 HydrophobicContact CG2-CD1 3.72Å; T25-F196 HydrophobicContact CG2-CE2 4.1Å; T25-F196 HydrophobicContact CG2-CZ 3.91Å; T25-P202 HydrophobicContact CG2-CG 3.84Å; T25-P202 VanDerWaalsContact OG1-CB 3.31Å; T25-P202 WeakPolarHBondContact OG1-CB 3.23Å; T25-P202 WeakPolarHBondContact OG1-CG 3.03Å |
| 26 | L | 95.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 176.3 | 177.4 | 62.7 | 0 | 0 | 0 | 111.4 | D22 V23 R28 C29 F30 L102 L103 L106 | D22-L26 WeakPolarHBondContact O-CB 3.43Å; D22-L26 PolarHBondContact O-N 2.9Å; V23-L26 PolarHBondContact O-N 2.98Å; L26-R28 PolarHBondContact O-N 3.39Å; L26-C29 WeakPolarHBondContact O-CA 3.46Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 2.92Å; L26-F30 HydrophobicContact CD1-CE1 3.9Å; L26-F30 HydrophobicContact CD1-CE2 4.04Å; L26-F30 HydrophobicContact CD1-CZ 3.55Å; L26-F30 HydrophobicContact CD2-CE2 4.13Å; L26-F30 HydrophobicContact CD2-CZ 4.09Å; L26-F30 HydrophobicContact CG-CD2 4.4Å; L26-F30 HydrophobicContact CG-CE1 4.45Å; L26-F30 HydrophobicContact CG-CE2 3.67Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 PolarHBondContact O-N 2.88Å; L26-L102 HydrophobicContact CB-CB 4.28Å; L26-L102 HydrophobicContact CB-CD1 4.06Å; L26-L102 HydrophobicContact CD1-CB 4.23Å; L26-L103 HydrophobicContact CD1-CD2 4.36Å; L26-L103 HydrophobicContact CD1-CG 4.12Å; L26-L103 HydrophobicContact CD2-CD2 3.7Å; L26-L103 HydrophobicContact CD2-CG 4.23Å; L26-L106 HydrophobicContact CB-CD1 4.45Å; L26-L106 HydrophobicContact CD2-CD1 3.94Å |
| 27 | N | 94.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.9 | -72.9 | -32.3 | 0 | 0 | 0 | 112.1 | V23 N24 C29 F30 D31 | V23-N27 PolarHBondContact O-N 2.91Å; V23-N27 PolarHBondContact O-ND2 3.42Å; N24-N27 PolarHBondContact O-N 3Å; N27-C29 VanDerWaalsContact C-N 3.29Å; N27-C29 PolarHBondContact O-N 3.07Å; N27-F30 WeakPolarHBondContact O-CB 3.32Å; N27-F30 PolarHBondContact O-N 3.2Å; N27-F30 VanDerWaalsContact O-N 3.12Å; N27-D31 PolarHBondContact O-N 3.01Å |
| 28 | R | 95.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -27.8 | 173.9 | -75.7 | -79.4 | 89.9 | 141.7 | 8.8 | 113.8 | N24 T25 L26 D31 D32 F196 D198 F200 | N24-R28 PolarHBondContact O-N 3.41Å; T25-R28 PolarHBondContact O-N 2.97Å; L26-R28 PolarHBondContact O-N 3.39Å; R28-D31 IonicContact CZ-OD1 3.15Å; R28-D31 IonicContact CZ-OD2 2.87Å; R28-D31 IonicContact NE-OD2 2.67Å; R28-D31 PolarHBondContact NE-OD2 3.01Å; R28-D31 IonicContact NH2-OD1 2.74Å; R28-D31 PolarHBondContact NH2-OD1 2.89Å; R28-D31 IonicContact NH2-OD2 3.19Å; R28-D31 PolarHBondContact NH2-OD2 3.11Å; R28-D32 PolarHBondContact O-N 2.75Å; R28-F196 HydrophobicContact CB-CD1 3.76Å; R28-F196 HydrophobicContact CB-CD2 4.07Å; R28-F196 HydrophobicContact CB-CE1 3.92Å; R28-F196 HydrophobicContact CB-CE2 4.2Å; R28-F196 HydrophobicContact CB-CG 3.84Å; R28-F196 HydrophobicContact CB-CZ 4.13Å; R28-F196 WeakPolarHBondContact O-CD1 3.5Å; R28-D198 VanDerWaalsContact CD-OD2 3.26Å; R28-D198 WeakPolarHBondContact CD-OD2 3.32Å; R28-D198 IonicContact CZ-OD2 3.26Å; R28-D198 IonicContact NE-OD2 2.84Å; R28-D198 IonicContact NH1-OD2 2.74Å; R28-D198 PolarHBondContact NH1-OD2 3.46Å; R28-F200 HydrophobicContact CG-CD1 4.11Å |
| 29 | C | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 111 | T25 L26 N27 D32 I33 K95 S99 F196 | T25-C29 PolarHBondContact O-N 3.2Å; T25-C29 PolarHBondContact O-SG 2.73Å; L26-C29 WeakPolarHBondContact O-CA 3.46Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 2.92Å; N27-C29 VanDerWaalsContact C-N 3.29Å; N27-C29 PolarHBondContact O-N 3.07Å; C29-D32 PolarHBondContact O-N 2.65Å; C29-I33 WeakPolarHBondContact O-CB 3.37Å; C29-I33 WeakPolarHBondContact O-CD1 3.49Å; C29-I33 WeakPolarHBondContact O-CG1 3.31Å; C29-I33 PolarHBondContact O-N 3.21Å; C29-K95 HydrophobicContact CB-CB 4.47Å; C29-S99 WeakPolarHBondContact CB-OG 3.21Å; C29-F196 HydrophobicContact CB-CE1 4.32Å; C29-F196 VanDerWaalsContact SG-CE1 3.52Å; C29-F196 VanDerWaalsContact SG-CZ 3.58Å |
| 30 | F | 96.5 | Very high | 94.7 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.8 | -59.8 | -38.8 | 0 | 0 | 0 | 112.3 | L26 N27 D32 I33 E34 L103 L118 L122 | L26-F30 HydrophobicContact CD1-CE1 3.9Å; L26-F30 HydrophobicContact CD1-CE2 4.04Å; L26-F30 HydrophobicContact CD1-CZ 3.55Å; L26-F30 HydrophobicContact CD2-CE2 4.13Å; L26-F30 HydrophobicContact CD2-CZ 4.09Å; L26-F30 HydrophobicContact CG-CD2 4.4Å; L26-F30 HydrophobicContact CG-CE1 4.45Å; L26-F30 HydrophobicContact CG-CE2 3.67Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 PolarHBondContact O-N 2.88Å; N27-F30 WeakPolarHBondContact O-CB 3.32Å; N27-F30 PolarHBondContact O-N 3.2Å; N27-F30 VanDerWaalsContact O-N 3.12Å; F30-D32 PolarHBondContact O-N 3.23Å; F30-I33 PolarHBondContact O-N 2.93Å; F30-E34 PolarHBondContact O-N 2.96Å; F30-L103 HydrophobicContact CZ-CD2 4.49Å; F30-L118 HydrophobicContact CE2-CD2 3.94Å; F30-L118 HydrophobicContact CZ-CB 4.35Å; F30-L118 HydrophobicContact CZ-CD1 4.43Å; F30-L118 HydrophobicContact CZ-CD2 3.82Å; F30-L118 HydrophobicContact CZ-CG 4.44Å; F30-L122 HydrophobicContact CD1-CD2 3.88Å; F30-L122 HydrophobicContact CE1-CD1 4.07Å; F30-L122 HydrophobicContact CE1-CD2 3.78Å; F30-L122 HydrophobicContact CE1-CG 3.94Å |
| 31 | D | 96.3 | Very high | 95 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.3 | -51.6 | 175 | -89.2 | -84.1 | 0 | 0 | 0 | 112.9 | N27 R28 I33 R35 | N27-D31 PolarHBondContact O-N 3.01Å; R28-D31 IonicContact CZ-OD1 3.15Å; R28-D31 IonicContact CZ-OD2 2.87Å; R28-D31 IonicContact NE-OD2 2.67Å; R28-D31 PolarHBondContact NE-OD2 3.01Å; R28-D31 IonicContact NH2-OD1 2.74Å; R28-D31 PolarHBondContact NH2-OD1 2.89Å; R28-D31 IonicContact NH2-OD2 3.19Å; R28-D31 PolarHBondContact NH2-OD2 3.11Å; D31-I33 VanDerWaalsContact C-N 3.33Å; D31-R35 WeakPolarHBondContact O-CB 3.42Å; D31-R35 VanDerWaalsContact O-CD 3.23Å; D31-R35 WeakPolarHBondContact O-CD 3.13Å; D31-R35 WeakPolarHBondContact O-CG 3.13Å; D31-R35 PolarHBondContact O-N 3.35Å; D31-R35 IonicContact OD1-CZ 2.73Å; D31-R35 IonicContact OD1-NE 2.58Å; D31-R35 IonicContact OD1-NH2 3.64Å; D31-R35 PolarHBondContact OD1-NH2 3.3Å |
| 32 | D | 97 | Very high | 95.1 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.1 | -33.2 | -178.1 | -87.7 | 2.7 | 0 | 0 | 0 | 111.2 | R28 C29 F30 R35 F36 I92 K95 F196 N197 | R28-D32 PolarHBondContact O-N 2.75Å; C29-D32 PolarHBondContact O-N 2.65Å; F30-D32 PolarHBondContact O-N 3.23Å; D32-R35 IonicContact OD1-NH1 2.66Å; D32-R35 PolarHBondContact OD1-NH1 2.9Å; D32-R35 VanDerWaalsContact OD1-NH1 3.15Å; D32-F36 VanDerWaalsContact O-CB 3.25Å; D32-F36 WeakPolarHBondContact O-CB 3.32Å; D32-F36 PolarHBondContact O-N 3.37Å; D32-I92 HydrophobicContact CB-CD1 4.06Å; D32-I92 WeakPolarHBondContact O-CD1 3.42Å; D32-K95 HydrophobicContact CB-CD 4.17Å; D32-K95 IonicContact OD2-NZ 2.73Å; D32-K95 PolarHBondContact OD2-NZ 3Å; D32-F196 WeakPolarHBondContact OD2-CA 3.38Å; D32-N197 VanDerWaalsContact OD1-CB 3.29Å; D32-N197 WeakPolarHBondContact OD1-CB 3.43Å; D32-N197 PolarHBondContact OD1-ND2 3.11Å; D32-N197 PolarHBondContact OD2-N 2.91Å |
| 33 | I | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -49.1 | 175 | -72.5 | 165.1 | 0 | 0 | 0 | 110.6 | C29 F30 D31 R35 F36 V37 I92 F96 L122 P125 | C29-I33 WeakPolarHBondContact O-CB 3.37Å; C29-I33 WeakPolarHBondContact O-CD1 3.49Å; C29-I33 WeakPolarHBondContact O-CG1 3.31Å; C29-I33 PolarHBondContact O-N 3.21Å; F30-I33 PolarHBondContact O-N 2.93Å; D31-I33 VanDerWaalsContact C-N 3.33Å; I33-R35 PolarHBondContact O-N 3.2Å; I33-F36 PolarHBondContact O-N 3.19Å; I33-F36 VanDerWaalsContact O-N 3.17Å; I33-V37 WeakPolarHBondContact O-CG2 3.31Å; I33-V37 PolarHBondContact O-N 2.67Å; I33-I92 HydrophobicContact CG1-CD1 3.92Å; I33-I92 HydrophobicContact CG1-CG1 3.92Å; I33-F96 HydrophobicContact CB-CZ 4.37Å; I33-F96 HydrophobicContact CD1-CD1 3.98Å; I33-F96 HydrophobicContact CD1-CD2 4.06Å; I33-F96 HydrophobicContact CD1-CE1 3.88Å; I33-F96 HydrophobicContact CD1-CE2 3.96Å; I33-F96 HydrophobicContact CD1-CG 4.06Å; I33-F96 HydrophobicContact CD1-CZ 3.88Å; I33-F96 HydrophobicContact CG1-CD2 4.22Å; I33-F96 HydrophobicContact CG1-CE1 4.48Å; I33-F96 HydrophobicContact CG1-CE2 3.82Å; I33-F96 HydrophobicContact CG1-CZ 3.97Å; I33-F96 HydrophobicContact CG2-CE1 4.14Å; I33-F96 HydrophobicContact CG2-CE2 4Å; I33-F96 HydrophobicContact CG2-CZ 3.46Å; I33-F96 VanDerWaalsContact CG2-CZ 3.46Å; I33-L122 HydrophobicContact CD1-CD2 3.78Å; I33-P125 HydrophobicContact CG2-CB 3.86Å; I33-P125 HydrophobicContact CG2-CG 4Å |
| 34 | E | 96.7 | Very high | 95.1 | Very high | 140 Ų | 140 | 43.6 Ų | 43.6 | 65% | 0.654 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.4 | -47.6 | 176.9 | -172.7 | -171.4 | -171.7 | 0 | 0 | 110.9 | F30 F36 V37 A38 | F30-E34 PolarHBondContact O-N 2.96Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.24Å; E34-V37 PolarHBondContact O-N 2.9Å; E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 3.03Å |
| 35 | R | 95.3 | Very high | 95 | Very high | 87 Ų | 87 | 45 Ų | 45 | 33% | 0.328 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -36 | 177 | -68.4 | 163.1 | -165.1 | 171.3 | 3.3 | 112.5 | D31 D32 I33 R39 | D31-R35 WeakPolarHBondContact O-CB 3.42Å; D31-R35 VanDerWaalsContact O-CD 3.23Å; D31-R35 WeakPolarHBondContact O-CD 3.13Å; D31-R35 WeakPolarHBondContact O-CG 3.13Å; D31-R35 PolarHBondContact O-N 3.35Å; D31-R35 IonicContact OD1-CZ 2.73Å; D31-R35 IonicContact OD1-NE 2.58Å; D31-R35 IonicContact OD1-NH2 3.64Å; D31-R35 PolarHBondContact OD1-NH2 3.3Å; D32-R35 IonicContact OD1-NH1 2.66Å; D32-R35 PolarHBondContact OD1-NH1 2.9Å; D32-R35 VanDerWaalsContact OD1-NH1 3.15Å; I33-R35 PolarHBondContact O-N 3.2Å; R35-R39 WeakPolarHBondContact O-CG 3.4Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 VanDerWaalsContact O-N 3.1Å |
| 36 | F | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.8 | -43.9 | 178.5 | -167.6 | -94.3 | 0 | 0 | 0 | 111.6 | D32 I33 E34 R39 I40 P84 E88 F89 I92 I129 | D32-F36 VanDerWaalsContact O-CB 3.25Å; D32-F36 WeakPolarHBondContact O-CB 3.32Å; D32-F36 PolarHBondContact O-N 3.37Å; I33-F36 PolarHBondContact O-N 3.19Å; I33-F36 VanDerWaalsContact O-N 3.17Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.24Å; F36-R39 PolarHBondContact O-N 3.49Å; F36-I40 HydrophobicContact CD1-CD1 3.64Å; F36-I40 HydrophobicContact CD1-CG1 4.49Å; F36-I40 HydrophobicContact CE1-CD1 3.37Å; F36-I40 HydrophobicContact CE1-CG1 4.28Å; F36-I40 HydrophobicContact CZ-CD1 4.27Å; F36-I40 PolarHBondContact O-N 3.04Å; F36-P84 HydrophobicContact CD2-CB 4.47Å; F36-P84 HydrophobicContact CD2-CG 4.35Å; F36-P84 HydrophobicContact CE1-CG 4.5Å; F36-P84 HydrophobicContact CE2-CB 3.46Å; F36-P84 VanDerWaalsContact CE2-CB 3.46Å; F36-P84 HydrophobicContact CE2-CG 3.66Å; F36-P84 HydrophobicContact CZ-CB 3.68Å; F36-P84 HydrophobicContact CZ-CG 3.75Å; F36-E88 HydrophobicContact CE2-CB 3.72Å; F36-E88 HydrophobicContact CZ-CB 4.49Å; F36-F89 AromaticContact CE1-CD1 3.74Å; F36-F89 HydrophobicContact CE1-CD1 3.74Å; F36-F89 AromaticContact CE1-CE1 3.78Å; F36-F89 HydrophobicContact CE1-CE1 3.78Å; F36-F89 HydrophobicContact CE1-CG 4.26Å; F36-F89 HydrophobicContact CE1-CZ 4.33Å; F36-F89 HydrophobicContact CZ-CB 4.37Å; F36-F89 AromaticContact CZ-CD1 3.7Å; F36-F89 HydrophobicContact CZ-CD1 3.7Å; F36-F89 AromaticContact CZ-CD2 3.98Å; F36-F89 HydrophobicContact CZ-CD2 3.98Å; F36-F89 AromaticContact CZ-CE1 3.93Å; F36-F89 HydrophobicContact CZ-CE1 3.93Å; F36-F89 HydrophobicContact CZ-CE2 4.19Å; F36-F89 AromaticContact CZ-CG 3.74Å; F36-F89 HydrophobicContact CZ-CG 3.74Å; F36-F89 HydrophobicContact CZ-CZ 4.17Å; F36-I92 HydrophobicContact CB-CD1 3.92Å; F36-I92 HydrophobicContact CB-CG1 3.9Å; F36-I92 HydrophobicContact CD1-CB 4.22Å; F36-I92 HydrophobicContact CD1-CG1 4.15Å; F36-I92 HydrophobicContact CD1-CG2 3.73Å; F36-I92 HydrophobicContact CD2-CB 4.29Å; F36-I92 HydrophobicContact CD2-CG1 4.45Å; F36-I92 HydrophobicContact CD2-CG2 4.46Å; F36-I92 HydrophobicContact CE1-CB 4.45Å; F36-I92 HydrophobicContact CE1-CG2 3.64Å; F36-I92 HydrophobicContact CE2-CG2 4.43Å; F36-I92 HydrophobicContact CG-CB 4.12Å; F36-I92 HydrophobicContact CG-CD1 4.3Å; F36-I92 HydrophobicContact CG-CG1 3.92Å; F36-I92 HydrophobicContact CG-CG2 4.14Å; F36-I92 HydrophobicContact CZ-CG2 4.04Å; F36-I129 HydrophobicContact CD1-CD1 3.69Å; F36-I129 HydrophobicContact CD1-CG1 3.82Å; F36-I129 HydrophobicContact CE1-CD1 4.27Å; F36-I129 HydrophobicContact CE1-CG1 4.06Å; F36-I129 HydrophobicContact CE1-CG2 4.15Å |
| 37 | V | 96.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.8 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | I33 E34 R39 I40 Q41 P125 V128 I129 | I33-V37 WeakPolarHBondContact O-CG2 3.31Å; I33-V37 PolarHBondContact O-N 2.67Å; E34-V37 PolarHBondContact O-N 2.9Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 3.41Å; V37-I40 PolarHBondContact O-N 2.98Å; V37-I40 VanDerWaalsContact O-N 3.15Å; V37-Q41 HydrophobicContact CG1-CG 4.23Å; V37-Q41 WeakPolarHBondContact O-CG 3.47Å; V37-Q41 PolarHBondContact O-N 3.33Å; V37-P125 HydrophobicContact CG2-CB 3.6Å; V37-V128 HydrophobicContact CG1-CG1 4.26Å; V37-I129 HydrophobicContact CG2-CD1 3.78Å; V37-I129 HydrophobicContact CG2-CG1 4Å |
| 38 | A | 95.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E34 S42 | E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 3.03Å; A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.33Å; A38-S42 PolarHBondContact O-N 2.96Å |
| 39 | R | 94.2 | Very high | 94.1 | Very high | 98 Ų | 98 | 55 Ų | 55 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 171.8 | -76.5 | -164.5 | -66.5 | 154.5 | -9.9 | 112.5 | R35 F36 V37 Q41 S42 A43 E88 | R35-R39 WeakPolarHBondContact O-CG 3.4Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 VanDerWaalsContact O-N 3.1Å; F36-R39 PolarHBondContact O-N 3.49Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 3.41Å; R39-Q41 PolarHBondContact O-N 3.35Å; R39-S42 PolarHBondContact O-N 3.12Å; R39-A43 WeakPolarHBondContact O-CB 3.04Å; R39-A43 PolarHBondContact O-N 3.15Å; R39-E88 IonicContact CZ-OE1 2.97Å; R39-E88 IonicContact NH1-OE1 3.44Å; R39-E88 PolarHBondContact NH1-OE1 2.97Å; R39-E88 IonicContact NH1-OE2 2.73Å; R39-E88 IonicContact NH2-OE1 3.28Å; R39-E88 PolarHBondContact NH2-OE1 3.01Å |
| 40 | I | 94.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.3 | -75.9 | 166.5 | 0 | 0 | 0 | 111.2 | F36 V37 A43 A44 P84 F89 V128 I129 A132 W135 | F36-I40 HydrophobicContact CD1-CD1 3.64Å; F36-I40 HydrophobicContact CD1-CG1 4.49Å; F36-I40 HydrophobicContact CE1-CD1 3.37Å; F36-I40 HydrophobicContact CE1-CG1 4.28Å; F36-I40 HydrophobicContact CZ-CD1 4.27Å; F36-I40 PolarHBondContact O-N 3.04Å; V37-I40 PolarHBondContact O-N 2.98Å; V37-I40 VanDerWaalsContact O-N 3.15Å; I40-A43 PolarHBondContact O-N 3.24Å; I40-A44 PolarHBondContact O-N 3.41Å; I40-P84 HydrophobicContact CG1-CG 4.23Å; I40-F89 HydrophobicContact CD1-CE1 3.82Å; I40-F89 HydrophobicContact CD1-CZ 4.03Å; I40-F89 HydrophobicContact CG1-CZ 4.35Å; I40-V128 HydrophobicContact CG2-CG1 4.25Å; I40-I129 HydrophobicContact CD1-CG1 3.85Å; I40-A132 HydrophobicContact CD1-CB 3.75Å; I40-A132 HydrophobicContact CG1-CB 4.12Å; I40-A132 HydrophobicContact CG2-CB 3.69Å; I40-W135 HydrophobicContact CG2-CZ2 4.47Å |
| 41 | Q | 94.1 | Very high | 93.3 | Very high | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179.1 | -70.1 | 176.8 | -3.9 | 0 | 0 | 111.5 | V37 R39 A43 A44 L45 | V37-Q41 HydrophobicContact CG1-CG 4.23Å; V37-Q41 WeakPolarHBondContact O-CG 3.47Å; V37-Q41 PolarHBondContact O-N 3.33Å; R39-Q41 PolarHBondContact O-N 3.35Å; Q41-A43 VanDerWaalsContact C-N 3.3Å; Q41-A43 PolarHBondContact O-N 3.15Å; Q41-A44 PolarHBondContact O-N 3.32Å; Q41-L45 WeakPolarHBondContact O-CB 3.39Å; Q41-L45 VanDerWaalsContact O-CG 3.28Å; Q41-L45 WeakPolarHBondContact O-CG 3.36Å; Q41-L45 PolarHBondContact O-N 3.48Å |
| 42 | S | 92 | Very high | 92.9 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | A38 R39 A46 | A38-S42 VanDerWaalsContact O-CB 3.31Å; A38-S42 WeakPolarHBondContact O-CB 3.33Å; A38-S42 PolarHBondContact O-N 2.96Å; R39-S42 PolarHBondContact O-N 3.12Å; S42-A46 WeakPolarHBondContact O-CB 3.45Å; S42-A46 PolarHBondContact O-N 2.86Å |
| 43 | A | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -47 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R39 I40 Q41 L45 A46 Q47 R80 | R39-A43 WeakPolarHBondContact O-CB 3.04Å; R39-A43 PolarHBondContact O-N 3.15Å; I40-A43 PolarHBondContact O-N 3.24Å; Q41-A43 VanDerWaalsContact C-N 3.3Å; Q41-A43 PolarHBondContact O-N 3.15Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.3Å; A43-A46 PolarHBondContact O-N 2.87Å; A43-Q47 WeakPolarHBondContact O-CG 3.21Å; A43-Q47 PolarHBondContact O-N 3.35Å; A43-R80 VanDerWaalsContact CA-O 3.26Å; A43-R80 WeakPolarHBondContact CA-O 3.37Å |
| 44 | A | 91.9 | Very high | 91.8 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I40 Q41 R48 W135 | I40-A44 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.32Å; A44-R48 PolarHBondContact O-N 3.45Å; A44-R48 VanDerWaalsContact O-N 3.13Å; A44-W135 HydrophobicContact CB-CH2 4.2Å; A44-W135 HydrophobicContact CB-CZ2 4.07Å |
| 45 | L | 90.7 | Very high | 91.4 | Very high | 113 Ų | 113 | 68.4 Ų | 68.4 | 59% | 0.592 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.4 | -45.8 | 174.3 | -71.6 | 172.4 | 0 | 0 | 0 | 111.9 | Q41 A43 Q47 R48 E49 | Q41-L45 WeakPolarHBondContact O-CB 3.39Å; Q41-L45 VanDerWaalsContact O-CG 3.28Å; Q41-L45 WeakPolarHBondContact O-CG 3.36Å; Q41-L45 PolarHBondContact O-N 3.48Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.3Å; L45-Q47 PolarHBondContact O-N 2.89Å; L45-R48 PolarHBondContact O-N 2.79Å; L45-E49 PolarHBondContact O-N 3.41Å |
| 46 | A | 91.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S42 A43 E49 I50 L77 R80 A81 | S42-A46 WeakPolarHBondContact O-CB 3.45Å; S42-A46 PolarHBondContact O-N 2.86Å; A43-A46 PolarHBondContact O-N 2.87Å; A46-E49 PolarHBondContact O-N 2.83Å; A46-I50 WeakPolarHBondContact O-CG1 3.41Å; A46-I50 PolarHBondContact O-N 2.85Å; A46-L77 HydrophobicContact CB-CD1 3.92Å; A46-R80 HydrophobicContact CB-CB 3.84Å; A46-A81 HydrophobicContact CB-CB 3.91Å |
| 47 | Q | 89.4 | Confident | 90.2 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 172.9 | -73.7 | -179.2 | 9.3 | 0 | 0 | 112 | A43 L45 E49 I50 E51 A81 W135 | A43-Q47 WeakPolarHBondContact O-CG 3.21Å; A43-Q47 PolarHBondContact O-N 3.35Å; L45-Q47 PolarHBondContact O-N 2.89Å; Q47-E49 VanDerWaalsContact C-N 3.26Å; Q47-E49 PolarHBondContact O-N 2.91Å; Q47-I50 PolarHBondContact O-N 3.21Å; Q47-E51 PolarHBondContact O-N 3.48Å; Q47-A81 HydrophobicContact CG-CB 3.69Å; Q47-A81 PolarHBondContact NE2-O 3.31Å; Q47-W135 VanDerWaalsContact OE1-CZ3 3.25Å |
| 48 | R | 90.3 | Very high | 89.6 | Confident | 165 Ų | 165 | 82 Ų | 82 | 62% | 0.623 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -30.2 | 176 | -171.4 | -175.9 | -69.1 | 177.9 | -1.2 | 112.7 | A44 L45 Q52 | A44-R48 PolarHBondContact O-N 3.45Å; A44-R48 VanDerWaalsContact O-N 3.13Å; L45-R48 PolarHBondContact O-N 2.79Å; R48-Q52 WeakPolarHBondContact O-CG 3.34Å; R48-Q52 PolarHBondContact O-N 2.97Å; R48-Q52 PolarHBondContact O-NE2 3.18Å; R48-Q52 VanDerWaalsContact O-NE2 3.16Å |
| 49 | E | 90.6 | Very high | 89.1 | Confident | 112 Ų | 112 | 82.4 Ų | 82.4 | 52% | 0.523 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74 | -41 | 174.3 | -169.2 | 170.4 | -164 | 0 | 0 | 111.9 | L45 A46 Q47 E51 Q52 Q53 L77 | L45-E49 PolarHBondContact O-N 3.41Å; A46-E49 PolarHBondContact O-N 2.83Å; Q47-E49 VanDerWaalsContact C-N 3.26Å; Q47-E49 PolarHBondContact O-N 2.91Å; E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.21Å; E49-Q52 PolarHBondContact O-N 3.19Å; E49-Q53 WeakPolarHBondContact O-CB 3.22Å; E49-Q53 PolarHBondContact O-N 3.48Å; E49-L77 HydrophobicContact CB-CD1 4.21Å; E49-L77 HydrophobicContact CB-CD2 4.16Å; E49-L77 HydrophobicContact CG-CD1 4.34Å; E49-L77 HydrophobicContact CG-CD2 3.9Å; E49-L77 WeakPolarHBondContact OE2-CD1 3.2Å |
| 50 | I | 86.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.2 | -67.8 | 165.7 | 0 | 0 | 0 | 111.2 | A46 Q47 Q53 N54 L77 F78 A81 | A46-I50 WeakPolarHBondContact O-CG1 3.41Å; A46-I50 PolarHBondContact O-N 2.85Å; Q47-I50 PolarHBondContact O-N 3.21Å; I50-Q53 PolarHBondContact O-N 2.78Å; I50-N54 WeakPolarHBondContact CG2-ND2 3.42Å; I50-N54 WeakPolarHBondContact O-CB 3.04Å; I50-N54 PolarHBondContact O-N 3.24Å; I50-N54 PolarHBondContact O-ND2 3.44Å; I50-L77 HydrophobicContact CD1-CG 4.22Å; I50-L77 HydrophobicContact CG1-CD2 3.63Å; I50-L77 HydrophobicContact CG1-CG 3.7Å; I50-F78 HydrophobicContact CD1-CB 4.37Å; I50-F78 HydrophobicContact CD1-CD2 4.16Å; I50-A81 HydrophobicContact CD1-CB 3.39Å |
| 51 | E | 88.9 | Confident | 87.3 | Confident | 145 Ų | 145 | 82 Ų | 82 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 176.9 | -174.2 | 171.2 | -145.3 | 0 | 0 | 111.6 | Q47 E49 Q53 N54 H55 | Q47-E51 PolarHBondContact O-N 3.48Å; E49-E51 VanDerWaalsContact C-N 3.35Å; E49-E51 PolarHBondContact O-N 3.21Å; E51-Q53 PolarHBondContact O-N 2.71Å; E51-N54 PolarHBondContact O-N 3.18Å; E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 2.8Å |
| 52 | Q | 89.1 | Confident | 86.3 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 172.4 | -77.8 | 176.7 | 76 | 0 | 0 | 112.8 | R48 E49 H55 R56 | R48-Q52 WeakPolarHBondContact O-CG 3.34Å; R48-Q52 PolarHBondContact O-N 2.97Å; R48-Q52 PolarHBondContact O-NE2 3.18Å; R48-Q52 VanDerWaalsContact O-NE2 3.16Å; E49-Q52 PolarHBondContact O-N 3.19Å; Q52-H55 PolarHBondContact O-N 2.89Å; Q52-R56 WeakPolarHBondContact O-CB 3.46Å; Q52-R56 VanDerWaalsContact O-CG 3.24Å; Q52-R56 WeakPolarHBondContact O-CG 3.4Å; Q52-R56 PolarHBondContact O-N 3.33Å |
| 53 | Q | 84.9 | Confident | 85.3 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 177.3 | -170.5 | 175.3 | 6.3 | 0 | 0 | 110.9 | E49 I50 E51 H55 R56 Y57 P71 | E49-Q53 WeakPolarHBondContact O-CB 3.22Å; E49-Q53 PolarHBondContact O-N 3.48Å; I50-Q53 PolarHBondContact O-N 2.78Å; E51-Q53 PolarHBondContact O-N 2.71Å; Q53-H55 PolarHBondContact O-N 3.14Å; Q53-R56 PolarHBondContact O-N 3.32Å; Q53-Y57 WeakPolarHBondContact O-CB 3.32Å; Q53-Y57 PolarHBondContact O-N 3.31Å; Q53-P71 HydrophobicContact CG-CB 4.33Å |
| 54 | N | 86.4 | Confident | 84 | Confident | 47 Ų | 47 | 100.2 Ų | 100.2 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 173 | -82.1 | -52.6 | 0 | 0 | 0 | 112.4 | I50 E51 Y57 R58 | I50-N54 WeakPolarHBondContact CG2-ND2 3.42Å; I50-N54 WeakPolarHBondContact O-CB 3.04Å; I50-N54 PolarHBondContact O-N 3.24Å; I50-N54 PolarHBondContact O-ND2 3.44Å; E51-N54 PolarHBondContact O-N 3.18Å; N54-Y57 PolarHBondContact O-N 3.42Å; N54-R58 WeakPolarHBondContact O-CB 3.28Å; N54-R58 WeakPolarHBondContact O-CG 3.44Å; N54-R58 PolarHBondContact O-N 3.05Å |
| 55 | H | 87.3 | Confident | 82.5 | Confident | 119 Ų | 119 | 105.7 Ų | 105.7 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 175.3 | -172.3 | -26.1 | 0 | 0 | 0 | 111.5 | E51 Q52 Q53 R58 T59 | E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 2.8Å; Q52-H55 PolarHBondContact O-N 2.89Å; Q53-H55 PolarHBondContact O-N 3.14Å; H55-R58 PolarHBondContact O-N 3.16Å; H55-T59 PolarHBondContact O-N 2.7Å; H55-T59 PolarHBondContact O-OG1 3.24Å |
| 56 | R | 84.6 | Confident | 80.8 | Confident | 159 Ų | 159 | 108 Ų | 108 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 177.6 | -71.4 | 171.3 | -169.1 | -171.2 | 8.4 | 111.6 | Q52 Q53 T59 A60 | Q52-R56 WeakPolarHBondContact O-CB 3.46Å; Q52-R56 VanDerWaalsContact O-CG 3.24Å; Q52-R56 WeakPolarHBondContact O-CG 3.4Å; Q52-R56 PolarHBondContact O-N 3.33Å; Q53-R56 PolarHBondContact O-N 3.32Å; R56-T59 PolarHBondContact O-N 2.7Å; R56-T59 PolarHBondContact O-OG1 3.17Å; R56-T59 VanDerWaalsContact O-OG1 3.12Å; R56-A60 WeakPolarHBondContact O-CB 3.43Å; R56-A60 PolarHBondContact O-N 3.43Å |
| 57 | Y | 82.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 115.6 Ų | 115.6 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 174.9 | -179.1 | -101.4 | 0 | 0 | 0 | 111.5 | Q53 N54 T59 A60 N61 Q68 P70 | Q53-Y57 WeakPolarHBondContact O-CB 3.32Å; Q53-Y57 PolarHBondContact O-N 3.31Å; N54-Y57 PolarHBondContact O-N 3.42Å; Y57-T59 VanDerWaalsContact C-N 3.32Å; Y57-T59 PolarHBondContact O-N 3.31Å; Y57-A60 PolarHBondContact O-N 3.05Å; Y57-N61 WeakPolarHBondContact O-CB 3.43Å; Y57-N61 PolarHBondContact O-N 3.46Å; Y57-Q68 HydrophobicContact CD2-CB 4.44Å; Y57-P70 HydrophobicContact CE2-CB 4.34Å |
| 58 | R | 83.9 | Confident | 78 | Confident | 170 Ų | 170 | 117.3 Ų | 117.3 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.2 | -37.9 | 176.9 | -71.9 | 168.3 | -174.6 | 170.3 | 2.8 | 112.8 | N54 H55 R62 | N54-R58 WeakPolarHBondContact O-CB 3.28Å; N54-R58 WeakPolarHBondContact O-CG 3.44Å; N54-R58 PolarHBondContact O-N 3.05Å; H55-R58 PolarHBondContact O-N 3.16Å; R58-R62 WeakPolarHBondContact O-CG 3.24Å; R58-R62 PolarHBondContact O-N 2.52Å |
| 59 | T | 83.3 | Confident | 76.9 | Confident | 58 Ų | 58 | 117.9 Ų | 117.9 | 36% | 0.356 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -80.8 | -28.9 | 178.7 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | H55 R56 Y57 R63 | H55-T59 PolarHBondContact O-N 2.7Å; H55-T59 PolarHBondContact O-OG1 3.24Å; R56-T59 PolarHBondContact O-N 2.7Å; R56-T59 PolarHBondContact O-OG1 3.17Å; R56-T59 VanDerWaalsContact O-OG1 3.12Å; Y57-T59 VanDerWaalsContact C-N 3.32Å; Y57-T59 PolarHBondContact O-N 3.31Å; T59-R63 WeakPolarHBondContact O-CG 3.5Å |
| 60 | A | 79 | Confident | 75.7 | Confident | 13 Ų | 13 | 116.8 Ų | 116.8 | 11% | 0.107 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -69.4 | -43.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R56 Y57 R62 R63 K65 | R56-A60 WeakPolarHBondContact O-CB 3.43Å; R56-A60 PolarHBondContact O-N 3.43Å; Y57-A60 PolarHBondContact O-N 3.05Å; A60-R62 VanDerWaalsContact C-N 3.29Å; A60-R62 PolarHBondContact O-N 2.98Å; A60-R63 PolarHBondContact O-N 3.1Å; A60-K65 PolarHBondContact O-N 2.84Å |
| 61 | N | 72.6 | Confident | 74.9 | Confident | 81 Ų | 81 | 117 Ų | 117 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.1 | -29.3 | -179.4 | -145.2 | 11.8 | 0 | 0 | 0 | 112.1 | Y57 R63 | Y57-N61 WeakPolarHBondContact O-CB 3.43Å; Y57-N61 PolarHBondContact O-N 3.46Å; N61-R63 PolarHBondContact O-N 3.28Å |
| 62 | R | 73.1 | Confident | 74.3 | Confident | 225 Ų | 225 | 115 Ų | 115 | 85% | 0.849 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -5.9 | 168.9 | -79.6 | -176.4 | 175.6 | -174.3 | -0.4 | 115 | R58 A60 | R58-R62 WeakPolarHBondContact O-CG 3.24Å; R58-R62 PolarHBondContact O-N 2.52Å; A60-R62 VanDerWaalsContact C-N 3.29Å; A60-R62 PolarHBondContact O-N 2.98Å |
| 63 | R | 72.1 | Confident | 73.3 | Confident | 200 Ų | 200 | 114.9 Ų | 114.9 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 23.7 | -179.3 | -68.7 | 176.9 | 170.1 | -179.8 | -3.7 | 112 | T59 A60 N61 K65 | T59-R63 WeakPolarHBondContact O-CG 3.5Å; A60-R63 PolarHBondContact O-N 3.1Å; N61-R63 PolarHBondContact O-N 3.28Å; R63-K65 PolarHBondContact O-N 3.01Å |
| 64 | D | 64.3 | Low | 72.9 | Confident | 113 Ų | 113 | 117 Ų | 117 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.2 | 18.2 | -176.7 | -93.6 | -73.2 | 0 | 0 | 0 | 116.1 | K66 | D64-K66 PolarHBondContact O-N 3.49Å; D64-K66 VanDerWaalsContact OD1-CE 3.31Å; D64-K66 WeakPolarHBondContact OD1-CE 3.33Å; D64-K66 IonicContact OD1-NZ 2.75Å; D64-K66 PolarHBondContact OD1-NZ 2.88Å |
| 65 | K | 62.1 | Low | 72.6 | Confident | 155 Ų | 155 | 115.5 Ų | 115.5 | 67% | 0.674 | 55% | 0.548 | S | S | * | . | trans | -78 | 64.1 | 172.9 | -72.1 | -164.7 | 172.2 | -170.8 | 0 | 110.8 | A60 R63 N67 | A60-K65 PolarHBondContact O-N 2.84Å; R63-K65 PolarHBondContact O-N 3.01Å; K65-N67 PolarHBondContact O-N 2.99Å | ||
| 66 | K | 55 | Low | 72.3 | Confident | 160 Ų | 160 | 115 Ų | 115 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 3 | -175.4 | -78.8 | 174 | 171.7 | 136.8 | 0 | 116.7 | D64 | D64-K66 PolarHBondContact O-N 3.49Å; D64-K66 VanDerWaalsContact OD1-CE 3.31Å; D64-K66 WeakPolarHBondContact OD1-CE 3.33Å; D64-K66 IonicContact OD1-NZ 2.75Å; D64-K66 PolarHBondContact OD1-NZ 2.88Å |
| 67 | N | 56.6 | Low | 72.3 | Confident | 165 Ų | 165 | 109.3 Ų | 109.3 | 88% | 0.882 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 22.2 | -175.1 | -151.8 | 32.3 | 0 | 0 | 0 | 113.9 | K65 | K65-N67 PolarHBondContact O-N 2.99Š|
| 68 | Q | 64.8 | Low | 72.4 | Confident | 106 Ų | 106 | 111 Ų | 111 | 50% | 0.495 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 126.6 | 166.3 | -73.5 | -173.5 | -7.9 | 0 | 0 | 109.6 | Y57 | Y57-Q68 HydrophobicContact CD2-CB 4.44Š|
| 69 | Q | 66.4 | Low | 72.4 | Confident | 177 Ų | 177 | 109 Ų | 109 | 83% | 0.827 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -69 | 148.7 | 173.2 | -68.3 | 176.2 | -10.3 | 0 | 0 | 110.2 | ||
| 70 | P | 66.5 | Low | 72.5 | Confident | 89 Ų | 89 | 113.3 Ų | 113.3 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.5 | 169.6 | 29.4 | -35 | 0 | 0 | 0 | 110.3 | Y57 D72 | Y57-P70 HydrophobicContact CE2-CB 4.34Å; P70-D72 PolarHBondContact O-N 2.96Å |
| 71 | P | 69.5 | Low | 72.9 | Confident | 36 Ų | 36 | 113.1 Ų | 113.1 | 23% | 0.234 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 134.8 | 175.9 | 26.1 | -32.9 | 0 | 0 | 0 | 111.2 | Q53 P73 | Q53-P71 HydrophobicContact CG-CB 4.33Å; P71-P73 WeakPolarHBondContact O-CD 3.5Å |
| 72 | D | 75.6 | Confident | 73.5 | Confident | 103 Ų | 103 | 115 Ų | 115 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 118.3 | -179.9 | 174.3 | 14 | 0 | 0 | 0 | 111.3 | P70 N74 G75 | P70-D72 PolarHBondContact O-N 2.96Å; D72-N74 PolarHBondContact O-N 3.31Å; D72-N74 PolarHBondContact OD1-N 2.97Å; D72-G75 VanDerWaalsContact CG-N 3.34Å; D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 VanDerWaalsContact O-N 3.15Å; D72-G75 WeakPolarHBondContact OD2-CA 3.49Å; D72-G75 PolarHBondContact OD2-N 2.91Å |
| 73 | P | 68.4 | Low | 74.3 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.4 | 178.7 | 30.2 | -36.4 | 0 | 0 | 0 | 113.7 | P71 F78 | P71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-F78 WeakPolarHBondContact O-CB 3.42Å; P73-F78 WeakPolarHBondContact O-CD1 3.2Å; P73-F78 WeakPolarHBondContact O-CG 3.06Å |
| 74 | N | 76.6 | Confident | 75.2 | Confident | 133 Ų | 133 | 97.1 Ų | 97.1 | 71% | 0.711 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.4 | 174.6 | -67.5 | -32.5 | 0 | 0 | 0 | 112.5 | D72 | D72-N74 PolarHBondContact O-N 3.31Å; D72-N74 PolarHBondContact OD1-N 2.97Å |
| 75 | G | 81.1 | Confident | 76.5 | Confident | 16 Ų | 16 | 97.4 Ų | 97.4 | 17% | 0.165 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -63.6 | 153.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D72 L77 F78 M79 | D72-G75 VanDerWaalsContact CG-N 3.34Å; D72-G75 PolarHBondContact O-N 3.3Å; D72-G75 VanDerWaalsContact O-N 3.15Å; D72-G75 WeakPolarHBondContact OD2-CA 3.49Å; D72-G75 PolarHBondContact OD2-N 2.91Å; G75-L77 PolarHBondContact O-N 3.38Å; G75-F78 WeakPolarHBondContact O-CA 3.45Å; G75-F78 WeakPolarHBondContact O-CB 3.46Å; G75-F78 PolarHBondContact O-N 3.34Å; G75-M79 PolarHBondContact O-N 3.49Å; G75-M79 VanDerWaalsContact O-N 3.1Å |
| 76 | I | 81 | Confident | 78 | Confident | 108 Ų | 108 | 93.7 Ų | 93.7 | 55% | 0.554 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -52.9 | -31.2 | -178.6 | -57.5 | 172.6 | 0 | 0 | 0 | 112.1 | R80 | I76-R80 WeakPolarHBondContact O-CG 3.45Å; I76-R80 PolarHBondContact O-N 3.44Å |
| 77 | L | 83.7 | Confident | 79.8 | Confident | 40 Ų | 40 | 89.8 Ų | 89.8 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 175.6 | -171.6 | 65.9 | 0 | 0 | 0 | 112.3 | A46 E49 I50 G75 R80 A81 | A46-L77 HydrophobicContact CB-CD1 3.92Å; E49-L77 HydrophobicContact CB-CD1 4.21Å; E49-L77 HydrophobicContact CB-CD2 4.16Å; E49-L77 HydrophobicContact CG-CD1 4.34Å; E49-L77 HydrophobicContact CG-CD2 3.9Å; E49-L77 WeakPolarHBondContact OE2-CD1 3.2Å; I50-L77 HydrophobicContact CD1-CG 4.22Å; I50-L77 HydrophobicContact CG1-CD2 3.63Å; I50-L77 HydrophobicContact CG1-CG 3.7Å; G75-L77 PolarHBondContact O-N 3.38Å; L77-R80 PolarHBondContact O-N 3.24Å; L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.39Å |
| 78 | F | 85.2 | Confident | 81.5 | Confident | 100 Ų | 100 | 84.8 Ų | 84.8 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 174.9 | -169.7 | -92.8 | 0 | 0 | 0 | 111.6 | I50 P73 G75 R80 A81 | I50-F78 HydrophobicContact CD1-CB 4.37Å; I50-F78 HydrophobicContact CD1-CD2 4.16Å; P73-F78 WeakPolarHBondContact O-CB 3.42Å; P73-F78 WeakPolarHBondContact O-CD1 3.2Å; P73-F78 WeakPolarHBondContact O-CG 3.06Å; G75-F78 WeakPolarHBondContact O-CA 3.45Å; G75-F78 WeakPolarHBondContact O-CB 3.46Å; G75-F78 PolarHBondContact O-N 3.34Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.98Å; F78-A81 WeakPolarHBondContact O-CB 3.4Å; F78-A81 PolarHBondContact O-N 3.39Å; F78-A81 VanDerWaalsContact O-N 3.17Å |
| 79 | M | 83.7 | Confident | 83 | Confident | 126 Ų | 126 | 79.7 Ų | 79.7 | 62% | 0.621 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.7 | -40.6 | 172.6 | -61 | -168.9 | 79.8 | 0 | 0 | 112.2 | G75 A81 Q82 | G75-M79 PolarHBondContact O-N 3.49Å; G75-M79 VanDerWaalsContact O-N 3.1Å; M79-A81 VanDerWaalsContact C-N 3.3Å; M79-A81 PolarHBondContact O-N 2.92Å; M79-Q82 PolarHBondContact O-N 2.78Å |
| 80 | R | 84.8 | Confident | 84.3 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 57% | 0.566 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.6 | -26.4 | 175.5 | -78.8 | -177.6 | 176.7 | 129.3 | 6.3 | 113.8 | A43 A46 I76 L77 F78 Q82 | A43-R80 VanDerWaalsContact CA-O 3.26Å; A43-R80 WeakPolarHBondContact CA-O 3.37Å; A46-R80 HydrophobicContact CB-CB 3.84Å; I76-R80 WeakPolarHBondContact O-CG 3.45Å; I76-R80 PolarHBondContact O-N 3.44Å; L77-R80 PolarHBondContact O-N 3.24Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.98Å; R80-Q82 PolarHBondContact O-N 3.2Å |
| 81 | A | 87.3 | Confident | 85.7 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | A46 Q47 I50 L77 F78 M79 | A46-A81 HydrophobicContact CB-CB 3.91Å; Q47-A81 HydrophobicContact CG-CB 3.69Å; Q47-A81 PolarHBondContact NE2-O 3.31Å; I50-A81 HydrophobicContact CD1-CB 3.39Å; L77-A81 WeakPolarHBondContact O-CB 3.48Å; L77-A81 PolarHBondContact O-N 3.39Å; F78-A81 WeakPolarHBondContact O-CB 3.4Å; F78-A81 PolarHBondContact O-N 3.39Å; F78-A81 VanDerWaalsContact O-N 3.17Å; M79-A81 VanDerWaalsContact C-N 3.3Å; M79-A81 PolarHBondContact O-N 2.92Å |
| 82 | Q | 87 | Confident | 87 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 133.3 | 176 | -62.5 | -176.4 | 2.4 | 0 | 0 | 111.1 | M79 R80 | M79-Q82 PolarHBondContact O-N 2.78Å; R80-Q82 PolarHBondContact O-N 3.2Å |
| 83 | L | 89.2 | Confident | 88 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 158.3 | 170.8 | -80.8 | 140.6 | 0 | 0 | 0 | 111.4 | F89 A132 W135 | L83-F89 HydrophobicContact CD2-CE2 4.39Å; L83-F89 HydrophobicContact CD2-CZ 4.03Å; L83-A132 HydrophobicContact CD2-CB 4.44Å; L83-W135 HydrophobicContact CD1-CE3 4.09Å; L83-W135 HydrophobicContact CD1-CH2 4.17Å; L83-W135 HydrophobicContact CD1-CZ3 3.58Å; L83-W135 HydrophobicContact CD2-CH2 3.68Å; L83-W135 HydrophobicContact CD2-CZ2 4.13Å; L83-W135 HydrophobicContact CD2-CZ3 3.93Å; L83-W135 HydrophobicContact CG-CH2 4.01Å; L83-W135 HydrophobicContact CG-CZ3 3.94Å |
| 84 | P | 90.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 154.6 | 163.2 | -20.8 | 33 | 0 | 0 | 0 | 112.1 | F36 I40 E88 F89 | F36-P84 HydrophobicContact CD2-CB 4.47Å; F36-P84 HydrophobicContact CD2-CG 4.35Å; F36-P84 HydrophobicContact CE1-CG 4.5Å; F36-P84 HydrophobicContact CE2-CB 3.46Å; F36-P84 VanDerWaalsContact CE2-CB 3.46Å; F36-P84 HydrophobicContact CE2-CG 3.66Å; F36-P84 HydrophobicContact CZ-CB 3.68Å; F36-P84 HydrophobicContact CZ-CG 3.75Å; I40-P84 HydrophobicContact CG1-CG 4.23Å; P84-E88 WeakPolarHBondContact CA-OE2 3.2Å; P84-E88 HydrophobicContact CB-CB 4.13Å; P84-E88 WeakPolarHBondContact CB-OE2 3.41Å; P84-F89 HydrophobicContact CB-CD2 4.27Å; P84-F89 HydrophobicContact CB-CE2 4Å; P84-F89 HydrophobicContact CG-CE2 4.3Å; P84-F89 WeakPolarHBondContact O-CE2 3.46Å |
| 85 | L | 91.5 | Very high | 90.3 | Very high | 118 Ų | 118 | 56.9 Ų | 56.9 | 62% | 0.618 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 154.1 | 176 | -63.9 | 172.7 | 0 | 0 | 0 | 111.3 | S87 E88 F89 | L85-S87 PolarHBondContact O-N 2.9Å; L85-S87 VanDerWaalsContact O-N 3.14Å; L85-E88 HydrophobicContact CB-CG 4.27Å; L85-E88 PolarHBondContact N-OE2 3.12Å; L85-E88 WeakPolarHBondContact O-CA 3.41Å; L85-E88 WeakPolarHBondContact O-CB 3.39Å; L85-E88 PolarHBondContact O-N 3.27Å; L85-F89 PolarHBondContact O-N 3.1Å; L85-F89 VanDerWaalsContact O-N 3.12Å |
| 86 | E | 92.4 | Very high | 91.1 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52.8 | -36.2 | 176.6 | 175.1 | 171.8 | -160.4 | 0 | 0 | 113 | E88 F89 V90 L137 R139 V141 | E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.41Å; E86-F89 PolarHBondContact O-N 2.96Å; E86-V90 WeakPolarHBondContact O-CG2 3.47Å; E86-V90 PolarHBondContact O-N 3.41Å; E86-L137 HydrophobicContact CB-CD1 4.1Å; E86-L137 HydrophobicContact CB-CD2 4.27Å; E86-L137 HydrophobicContact CG-CD1 4.24Å; E86-R139 IonicContact OE1-CZ 3.73Å; E86-R139 IonicContact OE1-NE 3.8Å; E86-R139 IonicContact OE1-NH2 2.7Å; E86-R139 PolarHBondContact OE1-NH2 3.36Å; E86-R139 IonicContact OE2-CZ 2.94Å; E86-R139 IonicContact OE2-NH2 2.7Å; E86-R139 PolarHBondContact OE2-NH2 3.5Å; E86-V141 HydrophobicContact CG-CG1 4.31Å |
| 87 | S | 92.9 | Very high | 91.9 | Very high | 79 Ų | 79 | 51 Ų | 51 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62 | -31.7 | 174.7 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | L85 D91 | L85-S87 PolarHBondContact O-N 2.9Å; L85-S87 VanDerWaalsContact O-N 3.14Å; S87-D91 PolarHBondContact O-N 2.86Å |
| 88 | E | 93.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.1 | -37.9 | 176.5 | -52.1 | -178.7 | 77 | 0 | 0 | 111.5 | F36 R39 P84 L85 E86 V90 D91 I92 | F36-E88 HydrophobicContact CE2-CB 3.72Å; F36-E88 HydrophobicContact CZ-CB 4.49Å; R39-E88 IonicContact CZ-OE1 2.97Å; R39-E88 IonicContact NH1-OE1 3.44Å; R39-E88 PolarHBondContact NH1-OE1 2.97Å; R39-E88 IonicContact NH1-OE2 2.73Å; R39-E88 IonicContact NH2-OE1 3.28Å; R39-E88 PolarHBondContact NH2-OE1 3.01Å; P84-E88 WeakPolarHBondContact CA-OE2 3.2Å; P84-E88 HydrophobicContact CB-CB 4.13Å; P84-E88 WeakPolarHBondContact CB-OE2 3.41Å; L85-E88 HydrophobicContact CB-CG 4.27Å; L85-E88 PolarHBondContact N-OE2 3.12Å; L85-E88 WeakPolarHBondContact O-CA 3.41Å; L85-E88 WeakPolarHBondContact O-CB 3.39Å; L85-E88 PolarHBondContact O-N 3.27Å; E86-E88 VanDerWaalsContact C-N 3.26Å; E86-E88 PolarHBondContact O-N 3.41Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.16Å; E88-D91 PolarHBondContact O-N 3.17Å; E88-I92 PolarHBondContact O-N 2.88Å |
| 89 | F | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 168.6 | -82.2 | -82.5 | 0 | 0 | 0 | 111.4 | F36 I40 L83 P84 L85 E86 I92 L93 I129 A132 C133 L137 V141 | F36-F89 AromaticContact CE1-CD1 3.74Å; F36-F89 HydrophobicContact CE1-CD1 3.74Å; F36-F89 AromaticContact CE1-CE1 3.78Å; F36-F89 HydrophobicContact CE1-CE1 3.78Å; F36-F89 HydrophobicContact CE1-CG 4.26Å; F36-F89 HydrophobicContact CE1-CZ 4.33Å; F36-F89 HydrophobicContact CZ-CB 4.37Å; F36-F89 AromaticContact CZ-CD1 3.7Å; F36-F89 HydrophobicContact CZ-CD1 3.7Å; F36-F89 AromaticContact CZ-CD2 3.98Å; F36-F89 HydrophobicContact CZ-CD2 3.98Å; F36-F89 AromaticContact CZ-CE1 3.93Å; F36-F89 HydrophobicContact CZ-CE1 3.93Å; F36-F89 HydrophobicContact CZ-CE2 4.19Å; F36-F89 AromaticContact CZ-CG 3.74Å; F36-F89 HydrophobicContact CZ-CG 3.74Å; F36-F89 HydrophobicContact CZ-CZ 4.17Å; I40-F89 HydrophobicContact CD1-CE1 3.82Å; I40-F89 HydrophobicContact CD1-CZ 4.03Å; I40-F89 HydrophobicContact CG1-CZ 4.35Å; L83-F89 HydrophobicContact CD2-CE2 4.39Å; L83-F89 HydrophobicContact CD2-CZ 4.03Å; P84-F89 HydrophobicContact CB-CD2 4.27Å; P84-F89 HydrophobicContact CB-CE2 4Å; P84-F89 HydrophobicContact CG-CE2 4.3Å; P84-F89 WeakPolarHBondContact O-CE2 3.46Å; L85-F89 PolarHBondContact O-N 3.1Å; L85-F89 VanDerWaalsContact O-N 3.12Å; E86-F89 PolarHBondContact O-N 2.96Å; F89-I92 WeakPolarHBondContact O-CG2 3.45Å; F89-L93 WeakPolarHBondContact O-CB 3.37Å; F89-L93 WeakPolarHBondContact O-CD1 3.47Å; F89-L93 WeakPolarHBondContact O-CG 3.29Å; F89-L93 PolarHBondContact O-N 2.74Å; F89-L93 VanDerWaalsContact O-N 3.16Å; F89-I129 HydrophobicContact CD1-CG2 4.01Å; F89-I129 HydrophobicContact CE1-CG2 4.25Å; F89-A132 HydrophobicContact CE1-CB 3.91Å; F89-A132 HydrophobicContact CZ-CB 3.97Å; F89-C133 WeakPolarHBondContact CD1-SG 3.44Å; F89-L137 HydrophobicContact CB-CD1 4.34Å; F89-L137 HydrophobicContact CD2-CD1 3.88Å; F89-L137 HydrophobicContact CD2-CG 4.48Å; F89-L137 HydrophobicContact CE2-CD1 4.37Å; F89-L137 HydrophobicContact CG-CD1 4.12Å; F89-V141 HydrophobicContact CB-CG2 4.15Å |
| 90 | V | 94.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 173.9 | 166.4 | 0 | 0 | 0 | 0 | 110.8 | E86 E88 I92 L93 K94 V145 | E86-V90 WeakPolarHBondContact O-CG2 3.47Å; E86-V90 PolarHBondContact O-N 3.41Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.16Å; V90-I92 PolarHBondContact O-N 3.39Å; V90-L93 PolarHBondContact O-N 3.08Å; V90-K94 WeakPolarHBondContact O-CG 3.45Å; V90-K94 PolarHBondContact O-N 2.88Å; V90-K94 VanDerWaalsContact O-N 3.08Å; V90-V145 HydrophobicContact CG1-CG2 4.42Å; V90-V145 HydrophobicContact CG2-CG2 4.4Å |
| 91 | D | 94.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | -179.6 | -175.8 | 61.7 | 0 | 0 | 0 | 113.1 | S87 E88 L93 K94 K95 Y192 | S87-D91 PolarHBondContact O-N 2.86Å; E88-D91 PolarHBondContact O-N 3.17Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.19Å; D91-K94 WeakPolarHBondContact O-CA 3.46Å; D91-K94 WeakPolarHBondContact O-CB 3.4Å; D91-K94 PolarHBondContact O-N 3.01Å; D91-K95 PolarHBondContact O-N 3.36Å; D91-K95 WeakPolarHBondContact OD2-CE 3.35Å; D91-K95 IonicContact OD2-NZ 3.46Å; D91-K95 PolarHBondContact OD2-NZ 3.02Å; D91-Y192 PolarHBondContact OD1-OH 3.44Å; D91-Y192 VanDerWaalsContact OD1-OH 3.11Å |
| 92 | I | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -35.9 | 179.4 | -151.7 | 70.5 | 0 | 0 | 0 | 111.8 | D32 I33 F36 E88 F89 V90 K94 K95 F96 I129 | D32-I92 HydrophobicContact CB-CD1 4.06Å; D32-I92 WeakPolarHBondContact O-CD1 3.42Å; I33-I92 HydrophobicContact CG1-CD1 3.92Å; I33-I92 HydrophobicContact CG1-CG1 3.92Å; F36-I92 HydrophobicContact CB-CD1 3.92Å; F36-I92 HydrophobicContact CB-CG1 3.9Å; F36-I92 HydrophobicContact CD1-CB 4.22Å; F36-I92 HydrophobicContact CD1-CG1 4.15Å; F36-I92 HydrophobicContact CD1-CG2 3.73Å; F36-I92 HydrophobicContact CD2-CB 4.29Å; F36-I92 HydrophobicContact CD2-CG1 4.45Å; F36-I92 HydrophobicContact CD2-CG2 4.46Å; F36-I92 HydrophobicContact CE1-CB 4.45Å; F36-I92 HydrophobicContact CE1-CG2 3.64Å; F36-I92 HydrophobicContact CE2-CG2 4.43Å; F36-I92 HydrophobicContact CG-CB 4.12Å; F36-I92 HydrophobicContact CG-CD1 4.3Å; F36-I92 HydrophobicContact CG-CG1 3.92Å; F36-I92 HydrophobicContact CG-CG2 4.14Å; F36-I92 HydrophobicContact CZ-CG2 4.04Å; E88-I92 PolarHBondContact O-N 2.88Å; F89-I92 WeakPolarHBondContact O-CG2 3.45Å; V90-I92 PolarHBondContact O-N 3.39Å; I92-K94 VanDerWaalsContact C-N 3.31Å; I92-K94 PolarHBondContact O-N 3.16Å; I92-K95 HydrophobicContact CD1-CD 4.09Å; I92-K95 CarbonylContact O-C 3.55Å; I92-K95 WeakPolarHBondContact O-CA 3.23Å; I92-K95 WeakPolarHBondContact O-CB 3.27Å; I92-K95 PolarHBondContact O-N 3.2Å; I92-K95 VanDerWaalsContact O-N 3.08Å; I92-F96 HydrophobicContact CG1-CE2 4.42Å; I92-F96 VanDerWaalsContact O-CD2 3.27Å; I92-F96 WeakPolarHBondContact O-CD2 3.37Å; I92-F96 PolarHBondContact O-N 3.08Å; I92-I129 HydrophobicContact CG1-CD1 4.5Å; I92-I129 HydrophobicContact CG2-CD1 4.2Å; I92-I129 HydrophobicContact CG2-CG2 4.15Å |
| 93 | L | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -32.2 | 173.7 | -72.9 | 168.6 | 0 | 0 | 0 | 112 | F89 V90 D91 K95 F96 K97 L126 I129 V141 A142 V145 W177 | F89-L93 WeakPolarHBondContact O-CB 3.37Å; F89-L93 WeakPolarHBondContact O-CD1 3.47Å; F89-L93 WeakPolarHBondContact O-CG 3.29Å; F89-L93 PolarHBondContact O-N 2.74Å; F89-L93 VanDerWaalsContact O-N 3.16Å; V90-L93 PolarHBondContact O-N 3.08Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.19Å; L93-K95 VanDerWaalsContact C-N 3.34Å; L93-F96 HydrophobicContact CD2-CD2 4.45Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 3.25Å; L93-K97 VanDerWaalsContact O-N 3.15Å; L93-L126 HydrophobicContact CD2-CD1 3.69Å; L93-I129 HydrophobicContact CD2-CG2 4.45Å; L93-V141 HydrophobicContact CD1-CG2 3.82Å; L93-A142 HydrophobicContact CD1-CB 4.05Å; L93-A142 HydrophobicContact CD2-CB 4.49Å; L93-V145 HydrophobicContact CB-CB 4.49Å; L93-V145 HydrophobicContact CB-CG1 4.18Å; L93-V145 HydrophobicContact CB-CG2 3.98Å; L93-V145 HydrophobicContact CD1-CG2 4.12Å; L93-W177 HydrophobicContact CB-CH2 4.05Å; L93-W177 HydrophobicContact CB-CZ2 3.99Å; L93-W177 HydrophobicContact CD2-CH2 3.79Å; L93-W177 HydrophobicContact CD2-CZ2 4.02Å; L93-W177 HydrophobicContact CG-CZ2 4.49Å; L93-W177 WeakPolarHBondContact O-CH2 3.16Å |
| 94 | K | 96.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 25.8 Ų | 25.8 | 26% | 0.261 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.4 | -38 | 168.8 | -56.6 | -174 | -175.2 | 158.9 | 0 | 112 | V90 D91 I92 K97 L98 V145 S147 Y192 | V90-K94 WeakPolarHBondContact O-CG 3.45Å; V90-K94 PolarHBondContact O-N 2.88Å; V90-K94 VanDerWaalsContact O-N 3.08Å; D91-K94 WeakPolarHBondContact O-CA 3.46Å; D91-K94 WeakPolarHBondContact O-CB 3.4Å; D91-K94 PolarHBondContact O-N 3.01Å; I92-K94 VanDerWaalsContact C-N 3.31Å; I92-K94 PolarHBondContact O-N 3.16Å; K94-K97 PolarHBondContact O-N 3.17Å; K94-L98 WeakPolarHBondContact O-CB 3.48Å; K94-L98 PolarHBondContact O-N 3.5Å; K94-V145 HydrophobicContact CG-CG1 3.63Å; K94-S147 WeakPolarHBondContact CD-O 3.47Å; K94-S147 WeakPolarHBondContact CG-O 3.21Å; K94-Y192 HydrophobicContact CB-CD1 4.42Å; K94-Y192 HydrophobicContact CB-CD2 4.32Å; K94-Y192 HydrophobicContact CB-CE1 3.8Å; K94-Y192 HydrophobicContact CB-CE2 3.72Å; K94-Y192 VanDerWaalsContact CB-CZ 3.41Å; K94-Y192 HydrophobicContact CD-CD2 3.82Å; K94-Y192 HydrophobicContact CD-CE2 3.45Å; K94-Y192 VanDerWaalsContact CD-CE2 3.45Å; K94-Y192 HydrophobicContact CG-CE2 4.22Å |
| 95 | K | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.2 | -71.1 | 168.2 | 174.6 | 163.8 | 0 | 111.6 | C29 D32 D91 I92 L93 L98 S99 I195 F196 | C29-K95 HydrophobicContact CB-CB 4.47Å; D32-K95 HydrophobicContact CB-CD 4.17Å; D32-K95 IonicContact OD2-NZ 2.73Å; D32-K95 PolarHBondContact OD2-NZ 3Å; D91-K95 PolarHBondContact O-N 3.36Å; D91-K95 WeakPolarHBondContact OD2-CE 3.35Å; D91-K95 IonicContact OD2-NZ 3.46Å; D91-K95 PolarHBondContact OD2-NZ 3.02Å; I92-K95 HydrophobicContact CD1-CD 4.09Å; I92-K95 CarbonylContact O-C 3.55Å; I92-K95 WeakPolarHBondContact O-CA 3.23Å; I92-K95 WeakPolarHBondContact O-CB 3.27Å; I92-K95 PolarHBondContact O-N 3.2Å; I92-K95 VanDerWaalsContact O-N 3.08Å; L93-K95 VanDerWaalsContact C-N 3.34Å; K95-L98 PolarHBondContact O-N 3.18Å; K95-S99 PolarHBondContact O-N 3.37Å; K95-S99 PolarHBondContact O-OG 3.41Å; K95-S99 VanDerWaalsContact O-OG 3.12Å; K95-I195 WeakPolarHBondContact CE-O 3.43Å; K95-I195 PolarHBondContact NZ-O 3.29Å; K95-F196 HydrophobicContact CD-CD1 4.26Å; K95-F196 HydrophobicContact CD-CE1 4.13Å; K95-F196 HydrophobicContact CG-CE1 4.25Å |
| 96 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 168.4 | -83.6 | -80.2 | 0 | 0 | 0 | 112.8 | I33 I92 L93 L98 S99 F100 L122 P125 L126 I129 W177 | I33-F96 HydrophobicContact CB-CZ 4.37Å; I33-F96 HydrophobicContact CD1-CD1 3.98Å; I33-F96 HydrophobicContact CD1-CD2 4.06Å; I33-F96 HydrophobicContact CD1-CE1 3.88Å; I33-F96 HydrophobicContact CD1-CE2 3.96Å; I33-F96 HydrophobicContact CD1-CG 4.06Å; I33-F96 HydrophobicContact CD1-CZ 3.88Å; I33-F96 HydrophobicContact CG1-CD2 4.22Å; I33-F96 HydrophobicContact CG1-CE1 4.48Å; I33-F96 HydrophobicContact CG1-CE2 3.82Å; I33-F96 HydrophobicContact CG1-CZ 3.97Å; I33-F96 HydrophobicContact CG2-CE1 4.14Å; I33-F96 HydrophobicContact CG2-CE2 4Å; I33-F96 HydrophobicContact CG2-CZ 3.46Å; I33-F96 VanDerWaalsContact CG2-CZ 3.46Å; I92-F96 HydrophobicContact CG1-CE2 4.42Å; I92-F96 VanDerWaalsContact O-CD2 3.27Å; I92-F96 WeakPolarHBondContact O-CD2 3.37Å; I92-F96 PolarHBondContact O-N 3.08Å; L93-F96 HydrophobicContact CD2-CD2 4.45Å; L93-F96 PolarHBondContact O-N 2.96Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.16Å; F96-S99 WeakPolarHBondContact O-CB 3.43Å; F96-S99 PolarHBondContact O-N 3.44Å; F96-S99 VanDerWaalsContact O-N 3.14Å; F96-F100 HydrophobicContact CB-CE2 4.48Å; F96-F100 HydrophobicContact CD1-CZ 4.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.42Å; F96-F100 WeakPolarHBondContact O-CG 3.35Å; F96-F100 PolarHBondContact O-N 2.87Å; F96-L122 HydrophobicContact CD1-CB 4.3Å; F96-L122 HydrophobicContact CD1-CD2 3.86Å; F96-L122 HydrophobicContact CE1-CB 4.13Å; F96-L122 HydrophobicContact CE1-CD2 3.67Å; F96-L122 VanDerWaalsContact CE1-O 3.31Å; F96-L122 WeakPolarHBondContact CE1-O 3.24Å; F96-P125 HydrophobicContact CE1-CG 4.3Å; F96-P125 HydrophobicContact CZ-CB 4.27Å; F96-P125 HydrophobicContact CZ-CG 4.23Å; F96-L126 HydrophobicContact CD1-CB 4.23Å; F96-L126 HydrophobicContact CD1-CD1 4.35Å; F96-L126 HydrophobicContact CD2-CD1 4.2Å; F96-L126 HydrophobicContact CE1-CB 3.75Å; F96-L126 HydrophobicContact CE1-CD1 4.48Å; F96-L126 HydrophobicContact CE2-CD1 4.34Å; F96-L126 HydrophobicContact CG-CD1 4.22Å; F96-L126 HydrophobicContact CZ-CB 3.99Å; F96-L126 HydrophobicContact CZ-CD1 4.47Å; F96-I129 HydrophobicContact CE2-CD1 3.54Å; F96-I129 HydrophobicContact CZ-CD1 3.94Å; F96-W177 HydrophobicContact CB-CH2 4.26Å; F96-W177 HydrophobicContact CB-CZ3 4.26Å |
| 97 | K | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -37.9 | 179.6 | -64.5 | -177.1 | 93.8 | -167 | 0 | 112.2 | L93 K94 N101 V145 A146 P148 L150 A176 W177 | L93-K97 WeakPolarHBondContact O-CG 3.48Å; L93-K97 PolarHBondContact O-N 3.25Å; L93-K97 VanDerWaalsContact O-N 3.15Å; K94-K97 PolarHBondContact O-N 3.17Å; K97-N101 PolarHBondContact O-N 3.37Å; K97-V145 HydrophobicContact CD-CG1 4.16Å; K97-V145 PolarHBondContact NZ-O 2.93Å; K97-A146 PolarHBondContact NZ-O 3.49Å; K97-P148 HydrophobicContact CB-CG 3.73Å; K97-P148 WeakPolarHBondContact CD-O 3.46Å; K97-P148 WeakPolarHBondContact CE-O 3.47Å; K97-P148 PolarHBondContact NZ-O 3.19Å; K97-L150 HydrophobicContact CB-CD2 3.56Å; K97-L150 HydrophobicContact CG-CD2 3.9Å; K97-L150 WeakPolarHBondContact O-CD2 3.36Å; K97-A176 WeakPolarHBondContact CE-O 3.28Å; K97-A176 PolarHBondContact NZ-O 3.32Å; K97-W177 HydrophobicContact CD-CD2 3.88Å; K97-W177 HydrophobicContact CD-CE3 3.99Å; K97-W177 HydrophobicContact CD-CH2 3.93Å; K97-W177 HydrophobicContact CD-CZ2 3.77Å; K97-W177 HydrophobicContact CD-CZ3 4.03Å; K97-W177 HydrophobicContact CG-CD2 3.97Å; K97-W177 HydrophobicContact CG-CE3 3.53Å; K97-W177 HydrophobicContact CG-CH2 3.45Å; K97-W177 VanDerWaalsContact CG-CH2 3.45Å; K97-W177 HydrophobicContact CG-CZ2 3.86Å; K97-W177 HydrophobicContact CG-CZ3 3.26Å |
| 98 | L | 96.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 172 | -179 | 59.8 | 0 | 0 | 0 | 111.6 | T25 K94 K95 F96 F100 N101 L102 P148 Y192 P194 | T25-L98 HydrophobicContact CG2-CD2 3.9Å; K94-L98 WeakPolarHBondContact O-CB 3.48Å; K94-L98 PolarHBondContact O-N 3.5Å; K95-L98 PolarHBondContact O-N 3.18Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.16Å; L98-F100 VanDerWaalsContact C-N 3.33Å; L98-F100 PolarHBondContact O-N 3.18Å; L98-N101 PolarHBondContact O-N 2.66Å; L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.79Å; L98-L102 HydrophobicContact CG-CG 4.26Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-P148 HydrophobicContact CB-CG 4.43Å; L98-Y192 HydrophobicContact CB-CD1 4.3Å; L98-Y192 HydrophobicContact CB-CE1 4.15Å; L98-Y192 HydrophobicContact CD2-CD1 4.2Å; L98-Y192 HydrophobicContact CD2-CE1 3.93Å; L98-P194 HydrophobicContact CD2-CB 4.08Å; L98-P194 HydrophobicContact CD2-CG 3.64Å |
| 99 | S | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.2 | -43.4 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | C29 K95 F96 N101 L102 L103 | C29-S99 WeakPolarHBondContact CB-OG 3.21Å; K95-S99 PolarHBondContact O-N 3.37Å; K95-S99 PolarHBondContact O-OG 3.41Å; K95-S99 VanDerWaalsContact O-OG 3.12Å; F96-S99 WeakPolarHBondContact O-CB 3.43Å; F96-S99 PolarHBondContact O-N 3.44Å; F96-S99 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact O-N 2.91Å; S99-L102 PolarHBondContact O-N 2.72Å; S99-L103 WeakPolarHBondContact O-CB 3.48Å; S99-L103 VanDerWaalsContact O-CG 3.26Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.35Å |
| 100 | F | 97.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 177.8 | -61.1 | -32.1 | 0 | 0 | 0 | 112.3 | F96 L98 A104 L119 L122 F123 L126 L150 M158 W177 | F96-F100 HydrophobicContact CB-CE2 4.48Å; F96-F100 HydrophobicContact CD1-CZ 4.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.42Å; F96-F100 WeakPolarHBondContact O-CG 3.35Å; F96-F100 PolarHBondContact O-N 2.87Å; L98-F100 VanDerWaalsContact C-N 3.33Å; L98-F100 PolarHBondContact O-N 3.18Å; F100-A104 WeakPolarHBondContact O-CB 3.39Å; F100-A104 PolarHBondContact O-N 3.32Å; F100-L119 HydrophobicContact CD1-CD1 3.47Å; F100-L119 VanDerWaalsContact CD1-CD1 3.47Å; F100-L119 HydrophobicContact CE1-CD1 3.56Å; F100-L119 HydrophobicContact CG-CD1 4.42Å; F100-L122 HydrophobicContact CD1-CD1 3.69Å; F100-L122 HydrophobicContact CE1-CB 3.83Å; F100-L122 HydrophobicContact CE1-CD1 3.56Å; F100-L122 HydrophobicContact CE1-CG 4.34Å; F100-F123 HydrophobicContact CE1-CE2 4.01Å; F100-F123 HydrophobicContact CZ-CD2 4.42Å; F100-F123 AromaticContact CZ-CE2 3.76Å; F100-F123 HydrophobicContact CZ-CE2 3.76Å; F100-F123 HydrophobicContact CZ-CZ 4.21Å; F100-L126 HydrophobicContact CZ-CD2 4.21Å; F100-L150 HydrophobicContact CB-CD2 4.27Å; F100-L150 HydrophobicContact CD2-CD1 4.23Å; F100-L150 HydrophobicContact CD2-CD2 4.31Å; F100-M158 HydrophobicContact CD2-SD 4.18Å; F100-M158 HydrophobicContact CE2-SD 4.44Å; F100-M158 HydrophobicContact CG-SD 4.43Å; F100-W177 HydrophobicContact CD2-CZ3 4.5Å; F100-W177 HydrophobicContact CE2-CE3 4.34Å; F100-W177 AromaticContact CE2-CZ3 3.99Å; F100-W177 HydrophobicContact CE2-CZ3 3.99Å |
| 101 | N | 96.4 | Very high | 94 | Very high | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 175.1 | -70.4 | -6.8 | 0 | 0 | 0 | 112.3 | K97 L98 S99 A104 K105 L149 L150 S151 | K97-N101 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 2.66Å; S99-N101 PolarHBondContact O-N 2.91Å; N101-A104 PolarHBondContact O-N 3.22Å; N101-K105 PolarHBondContact O-N 3.24Å; N101-L149 PolarHBondContact ND2-O 2.76Å; N101-L150 VanDerWaalsContact OD1-CA 3.24Å; N101-L150 WeakPolarHBondContact OD1-CA 3.37Å; N101-S151 PolarHBondContact OD1-N 2.84Å |
| 102 | L | 95.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.7 | -45 | 177.8 | -69.1 | 173.9 | 0 | 0 | 0 | 111.2 | D22 T25 L26 L98 S99 A104 K105 L106 | D22-L102 HydrophobicContact CB-CD2 3.85Å; T25-L102 HydrophobicContact CG2-CD1 3.72Å; L26-L102 HydrophobicContact CB-CB 4.28Å; L26-L102 HydrophobicContact CB-CD1 4.06Å; L26-L102 HydrophobicContact CD1-CB 4.23Å; L98-L102 HydrophobicContact CD1-CD1 3.98Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CD2-CD1 4.44Å; L98-L102 HydrophobicContact CG-CD1 3.79Å; L98-L102 HydrophobicContact CG-CG 4.26Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; S99-L102 PolarHBondContact O-N 2.72Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 2.86Å; L102-K105 PolarHBondContact O-N 3.5Å; L102-L106 HydrophobicContact CB-CD1 4.27Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CD1 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 3.35Å |
| 103 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 173.3 | -74.6 | 173.6 | 0 | 0 | 0 | 111.6 | L26 F30 S99 K105 L106 K107 I110 A115 L118 L122 L157 | L26-L103 HydrophobicContact CD1-CD2 4.36Å; L26-L103 HydrophobicContact CD1-CG 4.12Å; L26-L103 HydrophobicContact CD2-CD2 3.7Å; L26-L103 HydrophobicContact CD2-CG 4.23Å; F30-L103 HydrophobicContact CZ-CD2 4.49Å; S99-L103 WeakPolarHBondContact O-CB 3.48Å; S99-L103 VanDerWaalsContact O-CG 3.26Å; S99-L103 WeakPolarHBondContact O-CG 3.38Å; S99-L103 PolarHBondContact O-N 3.35Å; L103-K105 PolarHBondContact O-N 3.14Å; L103-L106 PolarHBondContact O-N 2.92Å; L103-K107 WeakPolarHBondContact O-CA 3.26Å; L103-K107 WeakPolarHBondContact O-CB 3.34Å; L103-K107 PolarHBondContact O-N 2.99Å; L103-I110 HydrophobicContact CD2-CD1 3.65Å; L103-A115 HydrophobicContact CD2-CB 4.45Å; L103-L118 HydrophobicContact CD1-CB 4.11Å; L103-L118 HydrophobicContact CD2-CB 3.6Å; L103-L118 HydrophobicContact CD2-CD1 3.7Å; L103-L118 HydrophobicContact CD2-CG 4.29Å; L103-L122 HydrophobicContact CD1-CD1 3.6Å; L103-L157 HydrophobicContact CB-CD2 4.34Å |
| 104 | A | 94.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | F100 N101 L102 K107 E153 A154 L157 | F100-A104 WeakPolarHBondContact O-CB 3.39Å; F100-A104 PolarHBondContact O-N 3.32Å; N101-A104 PolarHBondContact O-N 3.22Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 2.86Å; A104-K107 VanDerWaalsContact O-CD 3.25Å; A104-K107 WeakPolarHBondContact O-CD 3.42Å; A104-K107 VanDerWaalsContact O-CE 3.31Å; A104-K107 WeakPolarHBondContact O-CE 3.27Å; A104-K107 VanDerWaalsContact O-CG 3.3Å; A104-K107 WeakPolarHBondContact O-CG 3.38Å; A104-E153 HydrophobicContact CB-CB 4.15Å; A104-A154 VanDerWaalsContact CB-CA 3.46Å; A104-A154 HydrophobicContact CB-CB 3.7Å; A104-L157 HydrophobicContact CB-CD2 4.31Å |
| 105 | K | 93.7 | Very high | 92.4 | Very high | 111 Ų | 111 | 43.7 Ų | 43.7 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.3 | -40.6 | 173.3 | -174.3 | -178.3 | 179.6 | -173.8 | 0 | 112.1 | D22 N101 L102 L103 | D22-K105 WeakPolarHBondContact OD2-CE 3.35Å; D22-K105 IonicContact OD2-NZ 3.62Å; D22-K105 PolarHBondContact OD2-NZ 3.29Å; N101-K105 PolarHBondContact O-N 3.24Å; L102-K105 PolarHBondContact O-N 3.5Å; L103-K105 PolarHBondContact O-N 3.14Å |
| 106 | L | 92.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -86.3 | -11 | -173.6 | -62.4 | 169.2 | 0 | 0 | 0 | 113.3 | F19 D22 V23 L26 L102 L103 N108 H109 I110 | F19-L106 HydrophobicContact CD2-CD2 3.5Å; F19-L106 VanDerWaalsContact CD2-CD2 3.5Å; F19-L106 HydrophobicContact CE2-CD2 3.31Å; F19-L106 HydrophobicContact CG-CD2 4.47Å; F19-L106 HydrophobicContact CZ-CD2 4.18Å; D22-L106 HydrophobicContact CB-CD2 4.25Å; V23-L106 HydrophobicContact CG2-CD1 4.01Å; V23-L106 HydrophobicContact CG2-CD2 3.92Å; L26-L106 HydrophobicContact CB-CD1 4.45Å; L26-L106 HydrophobicContact CD2-CD1 3.94Å; L102-L106 HydrophobicContact CB-CD1 4.27Å; L102-L106 WeakPolarHBondContact O-CB 3.44Å; L102-L106 WeakPolarHBondContact O-CD1 3.48Å; L102-L106 WeakPolarHBondContact O-CG 3.35Å; L102-L106 PolarHBondContact O-N 3.35Å; L103-L106 PolarHBondContact O-N 2.92Å; L106-N108 PolarHBondContact O-N 3.12Å; L106-H109 PolarHBondContact O-N 2.85Å; L106-I110 HydrophobicContact CB-CD1 3.92Å; L106-I110 HydrophobicContact CB-CG1 4.43Å; L106-I110 HydrophobicContact CB-CG2 4.27Å; L106-I110 PolarHBondContact O-N 3.11Å |
| 107 | K | 91 | Very high | 92 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -28.9 | -169.8 | 67.3 | -171.1 | 172.2 | -173.9 | 0 | 117.3 | L103 A104 H109 A115 L157 | L103-K107 WeakPolarHBondContact O-CA 3.26Å; L103-K107 WeakPolarHBondContact O-CB 3.34Å; L103-K107 PolarHBondContact O-N 2.99Å; A104-K107 VanDerWaalsContact O-CD 3.25Å; A104-K107 WeakPolarHBondContact O-CD 3.42Å; A104-K107 VanDerWaalsContact O-CE 3.31Å; A104-K107 WeakPolarHBondContact O-CE 3.27Å; A104-K107 VanDerWaalsContact O-CG 3.3Å; A104-K107 WeakPolarHBondContact O-CG 3.38Å; K107-H109 VanDerWaalsContact C-N 3.31Å; K107-A115 HydrophobicContact CB-CB 3.7Å; K107-L157 HydrophobicContact CD-CD1 4.47Å |
| 108 | N | 89.8 | Confident | 92 | Very high | 121 Ų | 121 | 51 Ų | 51 | 65% | 0.647 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.2 | 179.1 | -65.7 | -8.9 | 0 | 0 | 0 | 113.8 | L106 H111 | L106-N108 PolarHBondContact O-N 3.12Å; N108-H111 PolarHBondContact O-NE2 2.85Å |
| 109 | H | 85.8 | Confident | 91.9 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -6.5 | -172.6 | -45.8 | 96.3 | 0 | 0 | 0 | 113.3 | F19 L106 K107 | F19-H109 HydrophobicContact CE2-CB 3.41Å; F19-H109 VanDerWaalsContact CE2-CB 3.41Å; F19-H109 AromaticContact CE2-CG 3.57Å; F19-H109 AromaticContact CE2-ND1 3.76Å; F19-H109 HydrophobicContact CZ-CB 3.49Å; F19-H109 VanDerWaalsContact CZ-CB 3.49Å; L106-H109 PolarHBondContact O-N 2.85Å; K107-H109 VanDerWaalsContact C-N 3.31Å |
| 110 | I | 87.8 | Confident | 91.8 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | trans | -115.3 | 116.4 | 177.5 | 61.2 | -174.7 | 0 | 0 | 0 | 109.5 | L103 L106 A115 L118 | L103-I110 HydrophobicContact CD2-CD1 3.65Å; L106-I110 HydrophobicContact CB-CD1 3.92Å; L106-I110 HydrophobicContact CB-CG1 4.43Å; L106-I110 HydrophobicContact CB-CG2 4.27Å; L106-I110 PolarHBondContact O-N 3.11Å; I110-A115 HydrophobicContact CD1-CB 3.93Å; I110-A115 HydrophobicContact CG1-CB 4.03Å; I110-L118 HydrophobicContact CD1-CD1 4.04Å | ||
| 111 | H | 81.7 | Confident | 91.8 | Very high | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -122.9 | -27.1 | -167.8 | -60.8 | -61.4 | 0 | 0 | 0 | 114.2 | N108 P113 N114 | N108-H111 PolarHBondContact O-NE2 2.85Å; H111-P113 VanDerWaalsContact C-C 3.5Å; H111-P113 CarbonylContact O-C 3.55Å; H111-N114 PolarHBondContact O-N 2.83Å |
| 112 | E | 80.7 | Confident | 91.8 | Very high | 192 Ų | 192 | 57.9 Ų | 57.9 | 90% | 0.897 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 99.8 | -177.1 | -66.1 | -174 | -172 | 0 | 0 | 111.4 | ||
| 113 | P | 87.7 | Confident | 91.9 | Very high | 54 Ų | 54 | 57.7 Ų | 57.7 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -63.3 | 158.1 | -19 | 30 | -36.5 | 0 | 0 | 0 | 112.3 | H111 E117 L118 F121 | H111-P113 VanDerWaalsContact C-C 3.5Å; H111-P113 CarbonylContact O-C 3.55Å; P113-E117 WeakPolarHBondContact CA-OE2 3.47Å; P113-E117 HydrophobicContact CB-CB 3.98Å; P113-E117 WeakPolarHBondContact CB-OE2 3.49Å; P113-L118 HydrophobicContact CB-CG 4.28Å; P113-L118 HydrophobicContact CG-CD1 4.25Å; P113-L118 HydrophobicContact CG-CD2 3.59Å; P113-L118 HydrophobicContact CG-CG 3.75Å; P113-F121 HydrophobicContact CB-CE2 4.26Å |
| 114 | N | 91.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 168.3 | 179.5 | 57.4 | 62.4 | 0 | 0 | 0 | 112.8 | H111 P116 E117 L118 | H111-N114 PolarHBondContact O-N 2.83Å; N114-P116 VanDerWaalsContact OD1-CD 3.26Å; N114-P116 WeakPolarHBondContact OD1-CD 3.34Å; N114-E117 PolarHBondContact N-OE2 2.87Å; N114-E117 PolarHBondContact ND2-OE1 2.7Å; N114-E117 PolarHBondContact ND2-OE2 2.73Å; N114-E117 PolarHBondContact O-N 3Å; N114-E117 WeakPolarHBondContact OD1-CG 3.43Å; N114-E117 PolarHBondContact OD1-N 2.87Å; N114-L118 PolarHBondContact O-N 3.41Å |
| 115 | A | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L103 K107 I110 L119 L157 | L103-A115 HydrophobicContact CD2-CB 4.45Å; K107-A115 HydrophobicContact CB-CB 3.7Å; I110-A115 HydrophobicContact CD1-CB 3.93Å; I110-A115 HydrophobicContact CG1-CB 4.03Å; A115-L119 WeakPolarHBondContact O-CB 3.35Å; A115-L119 PolarHBondContact O-N 3.35Å; A115-L157 HydrophobicContact CB-CD2 4.49Å |
| 116 | P | 93.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 169.6 | -27.5 | 35.1 | 0 | 0 | 0 | 114.2 | N114 L118 L119 H120 C161 | N114-P116 VanDerWaalsContact OD1-CD 3.26Å; N114-P116 WeakPolarHBondContact OD1-CD 3.34Å; P116-L118 PolarHBondContact O-N 3.44Å; P116-L119 WeakPolarHBondContact O-CB 3.33Å; P116-L119 PolarHBondContact O-N 3.24Å; P116-L119 VanDerWaalsContact O-N 3.15Å; P116-H120 PolarHBondContact O-CD2 3.47Å; P116-H120 PolarHBondContact O-N 3.49Å; P116-C161 HydrophobicContact CB-CB 4.2Å |
| 117 | E | 94.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.4 | -77.4 | 162 | -160.3 | 0 | 0 | 112 | P113 N114 L119 H120 F121 | P113-E117 WeakPolarHBondContact CA-OE2 3.47Å; P113-E117 HydrophobicContact CB-CB 3.98Å; P113-E117 WeakPolarHBondContact CB-OE2 3.49Å; N114-E117 PolarHBondContact N-OE2 2.87Å; N114-E117 PolarHBondContact ND2-OE1 2.7Å; N114-E117 PolarHBondContact ND2-OE2 2.73Å; N114-E117 PolarHBondContact O-N 3Å; N114-E117 WeakPolarHBondContact OD1-CG 3.43Å; N114-E117 PolarHBondContact OD1-N 2.87Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 2.94Å; E117-H120 PolarHBondContact O-N 2.87Å; E117-F121 HydrophobicContact CB-CD2 4.5Å; E117-F121 HydrophobicContact CB-CE2 4.09Å; E117-F121 WeakPolarHBondContact O-CD2 3.34Å; E117-F121 VanDerWaalsContact O-CG 3.25Å; E117-F121 WeakPolarHBondContact O-CG 3.45Å; E117-F121 PolarHBondContact O-N 3.36Å |
| 118 | L | 95.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -31 | 174.9 | -72.5 | 169.3 | 0 | 0 | 0 | 112.8 | F30 L103 I110 P113 N114 P116 F121 L122 | F30-L118 HydrophobicContact CE2-CD2 3.94Å; F30-L118 HydrophobicContact CZ-CB 4.35Å; F30-L118 HydrophobicContact CZ-CD1 4.43Å; F30-L118 HydrophobicContact CZ-CD2 3.82Å; F30-L118 HydrophobicContact CZ-CG 4.44Å; L103-L118 HydrophobicContact CD1-CB 4.11Å; L103-L118 HydrophobicContact CD2-CB 3.6Å; L103-L118 HydrophobicContact CD2-CD1 3.7Å; L103-L118 HydrophobicContact CD2-CG 4.29Å; I110-L118 HydrophobicContact CD1-CD1 4.04Å; P113-L118 HydrophobicContact CB-CG 4.28Å; P113-L118 HydrophobicContact CG-CD1 4.25Å; P113-L118 HydrophobicContact CG-CD2 3.59Å; P113-L118 HydrophobicContact CG-CG 3.75Å; N114-L118 PolarHBondContact O-N 3.41Å; P116-L118 PolarHBondContact O-N 3.44Å; L118-F121 HydrophobicContact CD2-CD2 4.45Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 2.96Å; L118-L122 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 173.1 | -175.4 | 68.4 | 0 | 0 | 0 | 110.8 | F100 A115 P116 E117 F121 L122 F123 L157 M158 C161 L162 | F100-L119 HydrophobicContact CD1-CD1 3.47Å; F100-L119 VanDerWaalsContact CD1-CD1 3.47Å; F100-L119 HydrophobicContact CE1-CD1 3.56Å; F100-L119 HydrophobicContact CG-CD1 4.42Å; A115-L119 WeakPolarHBondContact O-CB 3.35Å; A115-L119 PolarHBondContact O-N 3.35Å; P116-L119 WeakPolarHBondContact O-CB 3.33Å; P116-L119 PolarHBondContact O-N 3.24Å; P116-L119 VanDerWaalsContact O-N 3.15Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 2.94Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 3.48Å; L119-L122 WeakPolarHBondContact O-CB 3.46Å; L119-L122 PolarHBondContact O-N 2.94Å; L119-F123 HydrophobicContact CD1-CE2 4.08Å; L119-F123 HydrophobicContact CG-CE2 4.37Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.29Å; L119-L157 HydrophobicContact CD2-CG 4.3Å; L119-M158 HydrophobicContact CD1-CG 4.09Å; L119-M158 HydrophobicContact CD2-CG 4.07Å; L119-C161 HydrophobicContact CD2-CB 4.13Å; L119-L162 HydrophobicContact CD2-CD2 3.61Å; L119-L162 HydrophobicContact CD2-CG 4.18Å; L119-L162 HydrophobicContact CG-CD2 3.77Å |
| 120 | H | 95.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -41 | 174.6 | -65.8 | -61.8 | 0 | 0 | 0 | 112.4 | P116 E117 L122 F123 C161 E166 | P116-H120 PolarHBondContact O-CD2 3.47Å; P116-H120 PolarHBondContact O-N 3.49Å; E117-H120 PolarHBondContact O-N 2.87Å; H120-L122 PolarHBondContact O-N 3.21Å; H120-F123 PolarHBondContact O-N 3.18Å; H120-F123 VanDerWaalsContact O-N 3.1Å; H120-C161 PolarHBondContact CE1-O 3.11Å; H120-C161 PolarHBondContact NE2-O 3.07Å; H120-E166 WeakPolarHBondContact CA-OE1 3.4Å; H120-E166 IonicContact CE1-OE1 2.69Å; H120-E166 IonicContact CE1-OE2 3.98Å; H120-E166 PolarHBondContact CE1-OE2 3.5Å; H120-E166 VanDerWaalsContact CE1-OE2 3.28Å; H120-E166 IonicContact CG-OE1 2.87Å; H120-E166 VanDerWaalsContact ND1-CD 3.26Å; H120-E166 IonicContact ND1-OE1 3.21Å; H120-E166 PolarHBondContact ND1-OE1 2.85Å; H120-E166 IonicContact ND1-OE2 2.73Å; H120-E166 PolarHBondContact ND1-OE2 3.33Å |
| 121 | F | 95.9 | Very high | 93.5 | Very high | 133 Ų | 133 | 52.6 Ų | 52.6 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.1 | -18.7 | 174.8 | -63.4 | -38.3 | 0 | 0 | 0 | 113.6 | P113 E117 L118 L119 P125 | P113-F121 HydrophobicContact CB-CE2 4.26Å; E117-F121 HydrophobicContact CB-CD2 4.5Å; E117-F121 HydrophobicContact CB-CE2 4.09Å; E117-F121 WeakPolarHBondContact O-CD2 3.34Å; E117-F121 VanDerWaalsContact O-CG 3.25Å; E117-F121 WeakPolarHBondContact O-CG 3.45Å; E117-F121 PolarHBondContact O-N 3.36Å; L118-F121 HydrophobicContact CD2-CD2 4.45Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 3.48Å; F121-P125 WeakPolarHBondContact O-CD 3.46Å; F121-P125 WeakPolarHBondContact O-CG 3.27Å |
| 122 | L | 97.2 | Very high | 94 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -83.2 | -30.9 | 169.4 | -76.2 | 170.4 | 0 | 0 | 0 | 113.3 | F30 I33 F96 F100 L103 L118 L119 H120 T124 P125 L126 | F30-L122 HydrophobicContact CD1-CD2 3.88Å; F30-L122 HydrophobicContact CE1-CD1 4.07Å; F30-L122 HydrophobicContact CE1-CD2 3.78Å; F30-L122 HydrophobicContact CE1-CG 3.94Å; I33-L122 HydrophobicContact CD1-CD2 3.78Å; F96-L122 HydrophobicContact CD1-CB 4.3Å; F96-L122 HydrophobicContact CD1-CD2 3.86Å; F96-L122 HydrophobicContact CE1-CB 4.13Å; F96-L122 HydrophobicContact CE1-CD2 3.67Å; F96-L122 VanDerWaalsContact CE1-O 3.31Å; F96-L122 WeakPolarHBondContact CE1-O 3.24Å; F100-L122 HydrophobicContact CD1-CD1 3.69Å; F100-L122 HydrophobicContact CE1-CB 3.83Å; F100-L122 HydrophobicContact CE1-CD1 3.56Å; F100-L122 HydrophobicContact CE1-CG 4.34Å; L103-L122 HydrophobicContact CD1-CD1 3.6Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 2.96Å; L118-L122 VanDerWaalsContact O-N 3.12Å; L119-L122 WeakPolarHBondContact O-CB 3.46Å; L119-L122 PolarHBondContact O-N 2.94Å; H120-L122 PolarHBondContact O-N 3.21Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.28Å; L122-P125 VanDerWaalsContact O-CD 3.24Å; L122-P125 WeakPolarHBondContact O-CD 3.35Å; L122-P125 VanDerWaalsContact O-CG 3.29Å; L122-P125 WeakPolarHBondContact O-CG 3.45Å; L122-L126 WeakPolarHBondContact O-CB 3.21Å; L122-L126 PolarHBondContact O-N 2.84Å |
| 123 | F | 97.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -31.4 | -178.5 | -91.2 | -95.6 | 0 | 0 | 0 | 113.4 | F100 L119 H120 L126 A127 L162 E166 I169 W170 | F100-F123 HydrophobicContact CE1-CE2 4.01Å; F100-F123 HydrophobicContact CZ-CD2 4.42Å; F100-F123 AromaticContact CZ-CE2 3.76Å; F100-F123 HydrophobicContact CZ-CE2 3.76Å; F100-F123 HydrophobicContact CZ-CZ 4.21Å; L119-F123 HydrophobicContact CD1-CE2 4.08Å; L119-F123 HydrophobicContact CG-CE2 4.37Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.29Å; H120-F123 PolarHBondContact O-N 3.18Å; H120-F123 VanDerWaalsContact O-N 3.1Å; F123-L126 HydrophobicContact CD1-CD2 4.24Å; F123-L126 HydrophobicContact CE1-CD2 4.08Å; F123-L126 HydrophobicContact CZ-CD2 4.38Å; F123-L126 PolarHBondContact O-N 2.87Å; F123-A127 WeakPolarHBondContact O-CB 3.35Å; F123-A127 PolarHBondContact O-N 3.32Å; F123-L162 HydrophobicContact CD2-CD2 3.65Å; F123-L162 HydrophobicContact CE1-CD1 4.17Å; F123-L162 HydrophobicContact CE2-CD1 3.85Å; F123-L162 HydrophobicContact CE2-CD2 3.47Å; F123-L162 VanDerWaalsContact CE2-CD2 3.47Å; F123-L162 HydrophobicContact CE2-CG 4.31Å; F123-L162 HydrophobicContact CG-CD2 4.35Å; F123-L162 HydrophobicContact CZ-CD1 3.54Å; F123-L162 HydrophobicContact CZ-CD2 4.01Å; F123-L162 HydrophobicContact CZ-CG 4.45Å; F123-E166 HydrophobicContact CB-CB 4.31Å; F123-E166 HydrophobicContact CB-CG 3.78Å; F123-E166 HydrophobicContact CD1-CB 3.65Å; F123-E166 HydrophobicContact CD1-CG 4.04Å; F123-E166 HydrophobicContact CE1-CB 4.13Å; F123-E166 WeakPolarHBondContact CE1-O 3.42Å; F123-E166 HydrophobicContact CG-CB 3.89Å; F123-E166 HydrophobicContact CG-CG 3.93Å; F123-I169 HydrophobicContact CD1-CB 4.19Å; F123-I169 HydrophobicContact CD1-CG2 3.96Å; F123-I169 HydrophobicContact CE1-CB 4.2Å; F123-I169 HydrophobicContact CE1-CG2 3.95Å; F123-W170 HydrophobicContact CE1-CB 4.01Å; F123-W170 HydrophobicContact CZ-CB 4.01Å |
| 124 | T | 95.6 | Very high | 94.6 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -59.5 | -56.4 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | L122 L126 A127 V128 | L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.28Å; T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.35Å; T124-A127 PolarHBondContact O-N 2.9Å; T124-V128 PolarHBondContact O-N 2.88Å |
| 125 | P | 97.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -30.6 | 176 | 26.5 | -34.5 | 0 | 0 | 0 | 112.9 | I33 V37 F96 F121 L122 V128 I129 | I33-P125 HydrophobicContact CG2-CB 3.86Å; I33-P125 HydrophobicContact CG2-CG 4Å; V37-P125 HydrophobicContact CG2-CB 3.6Å; F96-P125 HydrophobicContact CE1-CG 4.3Å; F96-P125 HydrophobicContact CZ-CB 4.27Å; F96-P125 HydrophobicContact CZ-CG 4.23Å; F121-P125 WeakPolarHBondContact O-CD 3.46Å; F121-P125 WeakPolarHBondContact O-CG 3.27Å; L122-P125 VanDerWaalsContact O-CD 3.24Å; L122-P125 WeakPolarHBondContact O-CD 3.35Å; L122-P125 VanDerWaalsContact O-CG 3.29Å; L122-P125 WeakPolarHBondContact O-CG 3.45Å; P125-V128 PolarHBondContact O-N 3.12Å; P125-I129 WeakPolarHBondContact O-CG1 3.43Å; P125-I129 PolarHBondContact O-N 3.15Å |
| 126 | L | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.9 | -179.9 | 59.8 | 0 | 0 | 0 | 111.4 | L93 F96 F100 L122 F123 T124 V128 I129 L130 I169 L173 | L93-L126 HydrophobicContact CD2-CD1 3.69Å; F96-L126 HydrophobicContact CD1-CB 4.23Å; F96-L126 HydrophobicContact CD1-CD1 4.35Å; F96-L126 HydrophobicContact CD2-CD1 4.2Å; F96-L126 HydrophobicContact CE1-CB 3.75Å; F96-L126 HydrophobicContact CE1-CD1 4.48Å; F96-L126 HydrophobicContact CE2-CD1 4.34Å; F96-L126 HydrophobicContact CG-CD1 4.22Å; F96-L126 HydrophobicContact CZ-CB 3.99Å; F96-L126 HydrophobicContact CZ-CD1 4.47Å; F100-L126 HydrophobicContact CZ-CD2 4.21Å; L122-L126 WeakPolarHBondContact O-CB 3.21Å; L122-L126 PolarHBondContact O-N 2.84Å; F123-L126 HydrophobicContact CD1-CD2 4.24Å; F123-L126 HydrophobicContact CE1-CD2 4.08Å; F123-L126 HydrophobicContact CZ-CD2 4.38Å; F123-L126 PolarHBondContact O-N 2.87Å; T124-L126 VanDerWaalsContact C-N 3.34Å; T124-L126 PolarHBondContact O-N 3.35Å; L126-V128 PolarHBondContact O-N 3.02Å; L126-I129 PolarHBondContact O-N 3.04Å; L126-L130 HydrophobicContact CD1-CD1 4.29Å; L126-L130 HydrophobicContact CD1-CG 4.23Å; L126-L130 HydrophobicContact CG-CD1 4.04Å; L126-L130 HydrophobicContact CG-CG 4.43Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.49Å; L126-I169 HydrophobicContact CD2-CG2 4.42Å; L126-L173 HydrophobicContact CD2-CD1 4.14Å |
| 127 | A | 96.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F123 T124 I129 L130 E131 I169 | F123-A127 WeakPolarHBondContact O-CB 3.35Å; F123-A127 PolarHBondContact O-N 3.32Å; T124-A127 PolarHBondContact O-N 2.9Å; A127-I129 VanDerWaalsContact C-N 3.3Å; A127-I129 PolarHBondContact O-N 3.38Å; A127-L130 PolarHBondContact O-N 3.25Å; A127-E131 WeakPolarHBondContact O-CB 3.37Å; A127-E131 PolarHBondContact O-N 3.41Å; A127-I169 HydrophobicContact CB-CD1 4.16Å |
| 128 | V | 95.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -38.1 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | V37 I40 T124 P125 L126 A132 | V37-V128 HydrophobicContact CG1-CG1 4.26Å; I40-V128 HydrophobicContact CG2-CG1 4.25Å; T124-V128 PolarHBondContact O-N 2.88Å; P125-V128 PolarHBondContact O-N 3.12Å; L126-V128 PolarHBondContact O-N 3.02Å; V128-A132 WeakPolarHBondContact O-CB 3.49Å; V128-A132 PolarHBondContact O-N 2.88Å |
| 129 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 178.2 | -72.7 | 166.7 | 0 | 0 | 0 | 111.4 | F36 V37 I40 F89 I92 L93 F96 P125 L126 A127 A132 C133 | F36-I129 HydrophobicContact CD1-CD1 3.69Å; F36-I129 HydrophobicContact CD1-CG1 3.82Å; F36-I129 HydrophobicContact CE1-CD1 4.27Å; F36-I129 HydrophobicContact CE1-CG1 4.06Å; F36-I129 HydrophobicContact CE1-CG2 4.15Å; V37-I129 HydrophobicContact CG2-CD1 3.78Å; V37-I129 HydrophobicContact CG2-CG1 4Å; I40-I129 HydrophobicContact CD1-CG1 3.85Å; F89-I129 HydrophobicContact CD1-CG2 4.01Å; F89-I129 HydrophobicContact CE1-CG2 4.25Å; I92-I129 HydrophobicContact CG1-CD1 4.5Å; I92-I129 HydrophobicContact CG2-CD1 4.2Å; I92-I129 HydrophobicContact CG2-CG2 4.15Å; L93-I129 HydrophobicContact CD2-CG2 4.45Å; F96-I129 HydrophobicContact CE2-CD1 3.54Å; F96-I129 HydrophobicContact CZ-CD1 3.94Å; P125-I129 WeakPolarHBondContact O-CG1 3.43Å; P125-I129 PolarHBondContact O-N 3.15Å; L126-I129 PolarHBondContact O-N 3.04Å; A127-I129 VanDerWaalsContact C-N 3.3Å; A127-I129 PolarHBondContact O-N 3.38Å; I129-A132 PolarHBondContact O-N 3.42Å; I129-C133 PolarHBondContact O-N 3.34Å; I129-C133 PolarHBondContact O-SG 3.12Å |
| 130 | L | 94.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.7 | -66.4 | 168.4 | 0 | 0 | 0 | 111.5 | L126 A127 A132 C133 H134 A142 I169 L173 | L126-L130 HydrophobicContact CD1-CD1 4.29Å; L126-L130 HydrophobicContact CD1-CG 4.23Å; L126-L130 HydrophobicContact CG-CD1 4.04Å; L126-L130 HydrophobicContact CG-CG 4.43Å; L126-L130 VanDerWaalsContact O-CG 3.3Å; L126-L130 WeakPolarHBondContact O-CG 3.43Å; L126-L130 PolarHBondContact O-N 3.49Å; A127-L130 PolarHBondContact O-N 3.25Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.88Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 2.73Å; L130-C133 VanDerWaalsContact O-N 3.13Å; L130-H134 PolarHBondContact O-N 2.8Å; L130-H134 VanDerWaalsContact O-N 3.11Å; L130-H134 PolarHBondContact O-ND1 3.13Å; L130-A142 HydrophobicContact CD2-CB 3.97Å; L130-I169 HydrophobicContact CD1-CG2 3.74Å; L130-L173 HydrophobicContact CD1-CD2 3.66Å; L130-L173 HydrophobicContact CD2-CD2 3.75Å; L130-L173 HydrophobicContact CG-CD2 4.3Å |
| 131 | E | 93.5 | Very high | 92.4 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 58% | 0.584 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -56.6 | -46.1 | 172.7 | -175.1 | 174.3 | -158.7 | 0 | 0 | 110.7 | A127 C133 H134 W135 | A127-E131 WeakPolarHBondContact O-CB 3.37Å; A127-E131 PolarHBondContact O-N 3.41Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.86Å; E131-H134 WeakPolarHBondContact O-CB 3.46Å; E131-H134 PolarHBondContact O-N 3.19Å; E131-H134 VanDerWaalsContact O-N 3.07Å; E131-W135 PolarHBondContact O-N 3.26Å |
| 132 | A | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -28.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | I40 L83 F89 V128 I129 L130 W135 G136 | I40-A132 HydrophobicContact CD1-CB 3.75Å; I40-A132 HydrophobicContact CG1-CB 4.12Å; I40-A132 HydrophobicContact CG2-CB 3.69Å; L83-A132 HydrophobicContact CD2-CB 4.44Å; F89-A132 HydrophobicContact CE1-CB 3.91Å; F89-A132 HydrophobicContact CZ-CB 3.97Å; V128-A132 WeakPolarHBondContact O-CB 3.49Å; V128-A132 PolarHBondContact O-N 2.88Å; I129-A132 PolarHBondContact O-N 3.42Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.88Å; A132-W135 HydrophobicContact CB-CZ2 4.34Å; A132-G136 VanDerWaalsContact O-CA 3.27Å; A132-G136 WeakPolarHBondContact O-CA 3.16Å; A132-G136 PolarHBondContact O-N 2.83Å |
| 133 | C | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 168.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | F89 I129 L130 E131 L137 G138 R139 | F89-C133 WeakPolarHBondContact CD1-SG 3.44Å; I129-C133 PolarHBondContact O-N 3.34Å; I129-C133 PolarHBondContact O-SG 3.12Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 2.73Å; L130-C133 VanDerWaalsContact O-N 3.13Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 2.86Å; C133-L137 WeakPolarHBondContact O-CA 3.41Å; C133-L137 WeakPolarHBondContact O-CB 3.29Å; C133-L137 PolarHBondContact O-N 3.3Å; C133-G138 PolarHBondContact O-N 2.8Å; C133-R139 CarbonylContact C-O 3.03Å; C133-R139 WeakPolarHBondContact CB-O 3.26Å; C133-R139 VanDerWaalsContact O-O 3.09Å |
| 134 | H | 89.6 | Confident | 91.8 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.3 | -52.2 | -178.7 | -65.1 | 110.3 | 0 | 0 | 0 | 112.5 | L130 E131 G138 | L130-H134 PolarHBondContact O-N 2.8Å; L130-H134 VanDerWaalsContact O-N 3.11Å; L130-H134 PolarHBondContact O-ND1 3.13Å; E131-H134 WeakPolarHBondContact O-CB 3.46Å; E131-H134 PolarHBondContact O-N 3.19Å; E131-H134 VanDerWaalsContact O-N 3.07Å; H134-G138 VanDerWaalsContact O-CA 3.26Å; H134-G138 WeakPolarHBondContact O-CA 3.3Å; H134-G138 PolarHBondContact O-N 3.23Å |
| 135 | W | 87.2 | Confident | 91.7 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 40% | 0.398 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -80.7 | -25.2 | -178.8 | 67.4 | -104.6 | 0 | 0 | 0 | 113.8 | I40 A44 Q47 L83 E131 A132 | I40-W135 HydrophobicContact CG2-CZ2 4.47Å; A44-W135 HydrophobicContact CB-CH2 4.2Å; A44-W135 HydrophobicContact CB-CZ2 4.07Å; Q47-W135 VanDerWaalsContact OE1-CZ3 3.25Å; L83-W135 HydrophobicContact CD1-CE3 4.09Å; L83-W135 HydrophobicContact CD1-CH2 4.17Å; L83-W135 HydrophobicContact CD1-CZ3 3.58Å; L83-W135 HydrophobicContact CD2-CH2 3.68Å; L83-W135 HydrophobicContact CD2-CZ2 4.13Å; L83-W135 HydrophobicContact CD2-CZ3 3.93Å; L83-W135 HydrophobicContact CG-CH2 4.01Å; L83-W135 HydrophobicContact CG-CZ3 3.94Å; E131-W135 PolarHBondContact O-N 3.26Å; A132-W135 HydrophobicContact CB-CZ2 4.34Å |
| 136 | G | 83.9 | Confident | 91.4 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -92.5 | -37.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A132 | A132-G136 VanDerWaalsContact O-CA 3.27Å; A132-G136 WeakPolarHBondContact O-CA 3.16Å; A132-G136 PolarHBondContact O-N 2.83Å |
| 137 | L | 86.6 | Confident | 91.1 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -111.6 | -2 | -178.2 | -56.5 | 177.6 | 0 | 0 | 0 | 113.1 | E86 F89 C133 R139 V141 | E86-L137 HydrophobicContact CB-CD1 4.1Å; E86-L137 HydrophobicContact CB-CD2 4.27Å; E86-L137 HydrophobicContact CG-CD1 4.24Å; F89-L137 HydrophobicContact CB-CD1 4.34Å; F89-L137 HydrophobicContact CD2-CD1 3.88Å; F89-L137 HydrophobicContact CD2-CG 4.48Å; F89-L137 HydrophobicContact CE2-CD1 4.37Å; F89-L137 HydrophobicContact CG-CD1 4.12Å; C133-L137 WeakPolarHBondContact O-CA 3.41Å; C133-L137 WeakPolarHBondContact O-CB 3.29Å; C133-L137 PolarHBondContact O-N 3.3Å; L137-R139 HydrophobicContact CB-CG 4.43Å; L137-R139 PolarHBondContact O-N 3.49Å; L137-R139 PolarHBondContact O-NH1 2.86Å; L137-V141 HydrophobicContact CD1-CG1 3.83Å; L137-V141 HydrophobicContact CD1-CG2 4.5Å |
| 138 | G | 85.4 | Confident | 91 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 73% | 0.732 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 68.3 | 8.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C133 H134 | C133-G138 PolarHBondContact O-N 2.8Å; H134-G138 VanDerWaalsContact O-CA 3.26Å; H134-G138 WeakPolarHBondContact O-CA 3.3Å; H134-G138 PolarHBondContact O-N 3.23Å |
| 139 | R | 87.8 | Confident | 90.9 | Very high | 116 Ų | 116 | 42 Ų | 42 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -159.7 | 153.2 | -173.1 | 67.8 | -170.3 | 178.3 | -88.4 | 17.6 | 112.4 | E86 C133 L137 V141 | E86-R139 IonicContact OE1-CZ 3.73Å; E86-R139 IonicContact OE1-NE 3.8Å; E86-R139 IonicContact OE1-NH2 2.7Å; E86-R139 PolarHBondContact OE1-NH2 3.36Å; E86-R139 IonicContact OE2-CZ 2.94Å; E86-R139 IonicContact OE2-NH2 2.7Å; E86-R139 PolarHBondContact OE2-NH2 3.5Å; C133-R139 CarbonylContact C-O 3.03Å; C133-R139 WeakPolarHBondContact CB-O 3.26Å; C133-R139 VanDerWaalsContact O-O 3.09Å; L137-R139 HydrophobicContact CB-CG 4.43Å; L137-R139 PolarHBondContact O-N 3.49Å; L137-R139 PolarHBondContact O-NH1 2.86Å; R139-V141 HydrophobicContact CG-CG1 4.15Å; R139-V141 PolarHBondContact O-N 3.25Å |
| 140 | N | 87.9 | Confident | 90.8 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -76.7 | 119.8 | 166.4 | -169.3 | -10.7 | 0 | 0 | 0 | 109.9 | A142 | N140-A142 VanDerWaalsContact OD1-CB 3.26Å; N140-A142 WeakPolarHBondContact OD1-CB 3.37Å; N140-A142 PolarHBondContact OD1-N 3.17Å | ||
| 141 | V | 92.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | trans | -90.1 | -15.2 | 176.4 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | E86 F89 L93 L137 R139 P143 T144 | E86-V141 HydrophobicContact CG-CG1 4.31Å; F89-V141 HydrophobicContact CB-CG2 4.15Å; L93-V141 HydrophobicContact CD1-CG2 3.82Å; L137-V141 HydrophobicContact CD1-CG1 3.83Å; L137-V141 HydrophobicContact CD1-CG2 4.5Å; R139-V141 HydrophobicContact CG-CG1 4.15Å; R139-V141 PolarHBondContact O-N 3.25Å; V141-P143 VanDerWaalsContact C-CD 3.5Å; V141-T144 WeakPolarHBondContact O-CB 3.3Å; V141-T144 PolarHBondContact O-N 2.58Å; V141-T144 PolarHBondContact O-OG1 3.35Å | ||
| 142 | A | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -55.3 | -39.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L93 L130 N140 T144 V145 L173 W177 | L93-A142 HydrophobicContact CD1-CB 4.05Å; L93-A142 HydrophobicContact CD2-CB 4.49Å; L130-A142 HydrophobicContact CD2-CB 3.97Å; N140-A142 VanDerWaalsContact OD1-CB 3.26Å; N140-A142 WeakPolarHBondContact OD1-CB 3.37Å; N140-A142 PolarHBondContact OD1-N 3.17Å; A142-T144 PolarHBondContact O-N 3.35Å; A142-V145 WeakPolarHBondContact O-CB 3.46Å; A142-V145 PolarHBondContact O-N 3.46Å; A142-L173 CarbonylContact C-O 3.18Å; A142-L173 HydrophobicContact CB-CD2 3.93Å; A142-W177 HydrophobicContact CB-CZ2 4.04Å; A142-W177 PolarHBondContact O-NE1 3.35Å |
| 143 | P | 93.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -60 | -18.8 | 176 | -26.3 | 35.5 | 0 | 0 | 0 | 115 | V141 L173 | V141-P143 VanDerWaalsContact C-CD 3.5Å; P143-L173 VanDerWaalsContact CA-O 3.3Å; P143-L173 WeakPolarHBondContact CA-O 3.35Å; P143-L173 WeakPolarHBondContact CG-O 3.31Å |
| 144 | T | 91.8 | Very high | 91 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 60% | 0.601 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -84.4 | -15.9 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 113.2 | V141 A142 A146 | V141-T144 WeakPolarHBondContact O-CB 3.3Å; V141-T144 PolarHBondContact O-N 2.58Å; V141-T144 PolarHBondContact O-OG1 3.35Å; A142-T144 PolarHBondContact O-N 3.35Å; T144-A146 PolarHBondContact O-N 2.86Å |
| 145 | V | 94.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | trans | -83.8 | 77.4 | -172 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | V90 L93 K94 K97 A142 W177 | V90-V145 HydrophobicContact CG1-CG2 4.42Å; V90-V145 HydrophobicContact CG2-CG2 4.4Å; L93-V145 HydrophobicContact CB-CB 4.49Å; L93-V145 HydrophobicContact CB-CG1 4.18Å; L93-V145 HydrophobicContact CB-CG2 3.98Å; L93-V145 HydrophobicContact CD1-CG2 4.12Å; K94-V145 HydrophobicContact CG-CG1 3.63Å; K97-V145 HydrophobicContact CD-CG1 4.16Å; K97-V145 PolarHBondContact NZ-O 2.93Å; A142-V145 WeakPolarHBondContact O-CB 3.46Å; A142-V145 PolarHBondContact O-N 3.46Å; V145-W177 HydrophobicContact CB-CZ2 4.27Å | ||
| 146 | A | 90.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 41 Ų | 41 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | trans | -68.9 | -52.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | K97 T144 P148 L149 P189 | K97-A146 PolarHBondContact NZ-O 3.49Å; T144-A146 PolarHBondContact O-N 2.86Å; A146-P148 CarbonylContact O-C 3.49Å; A146-L149 PolarHBondContact O-N 3.41Å; A146-P189 HydrophobicContact CB-CB 4.47Å | ||
| 147 | S | 91.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -89.5 | 137.3 | -177.7 | -161.5 | 0 | 0 | 0 | 0 | 112.3 | K94 P190 | K94-S147 WeakPolarHBondContact CD-O 3.47Å; K94-S147 WeakPolarHBondContact CG-O 3.21Å; S147-P190 PolarHBondContact OG-O 3.43Å |
| 148 | P | 94.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | S | Bend | cis | -72.4 | 153.7 | -12.2 | 30.9 | -32.6 | 0 | 0 | 0 | 110.8 | K97 L98 A146 Y192 | K97-P148 HydrophobicContact CB-CG 3.73Å; K97-P148 WeakPolarHBondContact CD-O 3.46Å; K97-P148 WeakPolarHBondContact CE-O 3.47Å; K97-P148 PolarHBondContact NZ-O 3.19Å; L98-P148 HydrophobicContact CB-CG 4.43Å; A146-P148 CarbonylContact O-C 3.49Å; P148-Y192 HydrophobicContact CG-CD1 3.9Å; P148-Y192 HydrophobicContact CG-CG 4.32Å |
| 149 | L | 93.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 155.3 | 164.6 | -67 | 173.7 | 0 | 0 | 0 | 109.5 | N101 A146 P181 W184 L188 P189 | N101-L149 PolarHBondContact ND2-O 2.76Å; A146-L149 PolarHBondContact O-N 3.41Å; L149-P181 HydrophobicContact CB-CG 4.08Å; L149-P181 HydrophobicContact CD1-CB 4.35Å; L149-P181 HydrophobicContact CD1-CG 4.41Å; L149-W184 HydrophobicContact CD1-CB 3.88Å; L149-W184 HydrophobicContact CD1-CD2 3.96Å; L149-W184 HydrophobicContact CD1-CG 3.62Å; L149-W184 HydrophobicContact CD2-CD2 3.91Å; L149-W184 HydrophobicContact CD2-CE3 3.91Å; L149-W184 HydrophobicContact CD2-CG 4.45Å; L149-W184 HydrophobicContact CD2-CH2 4.49Å; L149-W184 HydrophobicContact CD2-CZ2 4.47Å; L149-W184 HydrophobicContact CD2-CZ3 4.21Å; L149-L188 HydrophobicContact CD1-CD2 4.02Å; L149-P189 HydrophobicContact CD1-CG 4.13Å; L149-P189 HydrophobicContact CG-CG 3.9Å |
| 150 | L | 94.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -85 | 135 | 177.4 | -59.5 | -171.6 | 0 | 0 | 0 | 110.2 | K97 F100 N101 M158 W177 P180 P181 | K97-L150 HydrophobicContact CB-CD2 3.56Å; K97-L150 HydrophobicContact CG-CD2 3.9Å; K97-L150 WeakPolarHBondContact O-CD2 3.36Å; F100-L150 HydrophobicContact CB-CD2 4.27Å; F100-L150 HydrophobicContact CD2-CD1 4.23Å; F100-L150 HydrophobicContact CD2-CD2 4.31Å; N101-L150 VanDerWaalsContact OD1-CA 3.24Å; N101-L150 WeakPolarHBondContact OD1-CA 3.37Å; L150-M158 HydrophobicContact CD1-CE 3.47Å; L150-M158 VanDerWaalsContact CD1-CE 3.47Å; L150-M158 HydrophobicContact CD1-SD 4.33Å; L150-W177 HydrophobicContact CD1-CE3 4.46Å; L150-W177 VanDerWaalsContact CD1-O 3.26Å; L150-W177 WeakPolarHBondContact CD1-O 3.35Å; L150-P180 VanDerWaalsContact O-CA 3.24Å; L150-P180 WeakPolarHBondContact O-CA 3.34Å; L150-P180 WeakPolarHBondContact O-CB 3.4Å; L150-P181 WeakPolarHBondContact O-CD 3.44Å |
| 151 | S | 93.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -70 | 162.6 | -179.2 | 81.9 | 0 | 0 | 0 | 0 | 111.8 | N101 E153 A154 R155 | N101-S151 PolarHBondContact OD1-N 2.84Å; S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 WeakPolarHBondContact CB-OE2 3.49Å; S151-E153 PolarHBondContact O-N 2.8Å; S151-E153 PolarHBondContact OG-OE2 2.81Å; S151-A154 WeakPolarHBondContact O-CB 3.39Å; S151-A154 PolarHBondContact O-N 2.93Å; S151-A154 VanDerWaalsContact O-N 3.12Å; S151-A154 PolarHBondContact OG-N 3.43Å; S151-R155 PolarHBondContact O-N 2.93Å |
| 152 | L | 93.6 | Very high | 93.6 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 177.1 | -179.6 | 59.7 | 0 | 0 | 0 | 111.5 | A154 R155 E156 | L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 2.97Å; L152-R155 WeakPolarHBondContact O-CB 3.48Å; L152-R155 PolarHBondContact O-N 3.06Å; L152-E156 WeakPolarHBondContact O-CG 3.35Å; L152-E156 PolarHBondContact O-N 2.99Å |
| 153 | E | 93.5 | Very high | 93.7 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.3 | -28.6 | 179.7 | -45.4 | 81 | 177.4 | 0 | 0 | 112.4 | A104 S151 L157 | A104-E153 HydrophobicContact CB-CB 4.15Å; S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 WeakPolarHBondContact CB-OE2 3.49Å; S151-E153 PolarHBondContact O-N 2.8Å; S151-E153 PolarHBondContact OG-OE2 2.81Å; E153-L157 WeakPolarHBondContact O-CB 3.21Å; E153-L157 PolarHBondContact O-N 3.29Å |
| 154 | A | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.2 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A104 S151 L152 E156 L157 M158 | A104-A154 VanDerWaalsContact CB-CA 3.46Å; A104-A154 HydrophobicContact CB-CB 3.7Å; S151-A154 WeakPolarHBondContact O-CB 3.39Å; S151-A154 PolarHBondContact O-N 2.93Å; S151-A154 VanDerWaalsContact O-N 3.12Å; S151-A154 PolarHBondContact OG-N 3.43Å; L152-A154 VanDerWaalsContact C-N 3.29Å; L152-A154 PolarHBondContact O-N 2.97Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.8Å; A154-L157 PolarHBondContact O-N 2.96Å; A154-M158 WeakPolarHBondContact O-CE 3.16Å; A154-M158 WeakPolarHBondContact O-CG 3.46Å; A154-M158 PolarHBondContact O-N 2.82Å |
| 155 | R | 94.6 | Very high | 94 | Very high | 53 Ų | 53 | 49 Ų | 49 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 170.8 | -172.4 | -179.1 | 63.9 | 63 | -8.3 | 111 | S151 L152 Q159 W170 R178 | S151-R155 PolarHBondContact O-N 2.93Å; L152-R155 WeakPolarHBondContact O-CB 3.48Å; L152-R155 PolarHBondContact O-N 3.06Å; R155-Q159 WeakPolarHBondContact O-CB 3.4Å; R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.48Å; R155-W170 HydrophobicContact CG-CH2 4.07Å; R155-W170 HydrophobicContact CG-CZ2 4.15Å; R155-R178 WeakPolarHBondContact CD-O 3.47Å |
| 156 | E | 94.4 | Very high | 94.1 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.7 | -72.1 | 175.3 | 173.8 | 0 | 0 | 112.8 | L152 A154 M158 Q159 N160 | L152-E156 WeakPolarHBondContact O-CG 3.35Å; L152-E156 PolarHBondContact O-N 2.99Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.8Å; E156-M158 VanDerWaalsContact C-N 3.33Å; E156-M158 PolarHBondContact O-N 3.45Å; E156-Q159 PolarHBondContact O-N 3.08Å; E156-N160 PolarHBondContact O-N 3.32Å; E156-N160 VanDerWaalsContact O-N 3.1Å; E156-N160 PolarHBondContact O-ND2 3.31Å |
| 157 | L | 93.9 | Very high | 94.4 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 176.3 | -176.9 | 67.5 | 0 | 0 | 0 | 110.8 | L103 A104 K107 A115 L119 E153 A154 N160 C161 | L103-L157 HydrophobicContact CB-CD2 4.34Å; A104-L157 HydrophobicContact CB-CD2 4.31Å; K107-L157 HydrophobicContact CD-CD1 4.47Å; A115-L157 HydrophobicContact CB-CD2 4.49Å; L119-L157 HydrophobicContact CD2-CG 4.3Å; E153-L157 WeakPolarHBondContact O-CB 3.21Å; E153-L157 PolarHBondContact O-N 3.29Å; A154-L157 PolarHBondContact O-N 2.96Å; L157-N160 PolarHBondContact O-N 3.16Å; L157-C161 VanDerWaalsContact O-CB 3.31Å; L157-C161 WeakPolarHBondContact O-CB 3.48Å; L157-C161 PolarHBondContact O-N 3.49Å; L157-C161 PolarHBondContact O-SG 3.04Å |
| 158 | M | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 177.1 | -69.8 | -177.2 | -64.1 | 0 | 0 | 112.8 | F100 L119 L150 A154 E156 N160 C161 L162 W170 | F100-M158 HydrophobicContact CD2-SD 4.18Å; F100-M158 HydrophobicContact CE2-SD 4.44Å; F100-M158 HydrophobicContact CG-SD 4.43Å; L119-M158 HydrophobicContact CD1-CG 4.09Å; L119-M158 HydrophobicContact CD2-CG 4.07Å; L150-M158 HydrophobicContact CD1-CE 3.47Å; L150-M158 VanDerWaalsContact CD1-CE 3.47Å; L150-M158 HydrophobicContact CD1-SD 4.33Å; A154-M158 WeakPolarHBondContact O-CE 3.16Å; A154-M158 WeakPolarHBondContact O-CG 3.46Å; A154-M158 PolarHBondContact O-N 2.82Å; E156-M158 VanDerWaalsContact C-N 3.33Å; E156-M158 PolarHBondContact O-N 3.45Å; M158-N160 VanDerWaalsContact C-N 3.26Å; M158-N160 PolarHBondContact O-N 3.35Å; M158-C161 PolarHBondContact O-N 3.13Å; M158-L162 HydrophobicContact CB-CD1 3.81Å; M158-L162 HydrophobicContact CB-CG 4.15Å; M158-L162 HydrophobicContact CG-CD1 4.16Å; M158-L162 WeakPolarHBondContact O-CB 3.41Å; M158-L162 VanDerWaalsContact O-CG 3.28Å; M158-L162 WeakPolarHBondContact O-CG 3.44Å; M158-L162 PolarHBondContact O-N 3.13Å; M158-L162 VanDerWaalsContact O-N 3.14Å; M158-W170 HydrophobicContact CB-CD2 4.41Å; M158-W170 HydrophobicContact CB-CE3 4.34Å; M158-W170 HydrophobicContact CB-CH2 4.34Å; M158-W170 HydrophobicContact CB-CZ2 4.4Å; M158-W170 HydrophobicContact CB-CZ3 4.3Å; M158-W170 HydrophobicContact CE-CD2 4.41Å; M158-W170 HydrophobicContact CE-CH2 4.45Å; M158-W170 HydrophobicContact CE-CZ2 3.55Å; M158-W170 HydrophobicContact SD-CD2 4.28Å; M158-W170 HydrophobicContact SD-CG 4.35Å; M158-W170 HydrophobicContact SD-CZ2 4.44Å |
| 159 | Q | 94.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.9 | -28.9 | 179 | -78 | 176.2 | -14.1 | 0 | 0 | 113.9 | R155 E156 W170 | R155-Q159 WeakPolarHBondContact O-CB 3.4Å; R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.48Å; E156-Q159 PolarHBondContact O-N 3.08Å; Q159-W170 HydrophobicContact CG-CH2 3.64Å; Q159-W170 HydrophobicContact CG-CZ3 3.65Å |
| 160 | N | 94.1 | Very high | 94.8 | Very high | 137 Ų | 137 | 54.2 Ų | 54.2 | 73% | 0.733 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -94.3 | -22.8 | -178.6 | -70 | -67 | 0 | 0 | 0 | 114 | E156 L157 M158 | E156-N160 PolarHBondContact O-N 3.32Å; E156-N160 VanDerWaalsContact O-N 3.1Å; E156-N160 PolarHBondContact O-ND2 3.31Å; L157-N160 PolarHBondContact O-N 3.16Å; M158-N160 VanDerWaalsContact C-N 3.26Å; M158-N160 PolarHBondContact O-N 3.35Å |
| 161 | C | 94.2 | Very high | 94.8 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -111.4 | -27.4 | -171.3 | -62.3 | 0 | 0 | 0 | 0 | 115.2 | P116 L119 H120 L157 M158 | P116-C161 HydrophobicContact CB-CB 4.2Å; L119-C161 HydrophobicContact CD2-CB 4.13Å; H120-C161 PolarHBondContact CE1-O 3.11Å; H120-C161 PolarHBondContact NE2-O 3.07Å; L157-C161 VanDerWaalsContact O-CB 3.31Å; L157-C161 WeakPolarHBondContact O-CB 3.48Å; L157-C161 PolarHBondContact O-N 3.49Å; L157-C161 PolarHBondContact O-SG 3.04Å; M158-C161 PolarHBondContact O-N 3.13Å |
| 162 | L | 95 | Very high | 94.8 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | trans | -69.9 | 140.2 | -174.5 | -65.7 | -176.9 | 0 | 0 | 0 | 113 | L119 F123 M158 E166 W170 | L119-L162 HydrophobicContact CD2-CD2 3.61Å; L119-L162 HydrophobicContact CD2-CG 4.18Å; L119-L162 HydrophobicContact CG-CD2 3.77Å; F123-L162 HydrophobicContact CD2-CD2 3.65Å; F123-L162 HydrophobicContact CE1-CD1 4.17Å; F123-L162 HydrophobicContact CE2-CD1 3.85Å; F123-L162 HydrophobicContact CE2-CD2 3.47Å; F123-L162 VanDerWaalsContact CE2-CD2 3.47Å; F123-L162 HydrophobicContact CE2-CG 4.31Å; F123-L162 HydrophobicContact CG-CD2 4.35Å; F123-L162 HydrophobicContact CZ-CD1 3.54Å; F123-L162 HydrophobicContact CZ-CD2 4.01Å; F123-L162 HydrophobicContact CZ-CG 4.45Å; M158-L162 HydrophobicContact CB-CD1 3.81Å; M158-L162 HydrophobicContact CB-CG 4.15Å; M158-L162 HydrophobicContact CG-CD1 4.16Å; M158-L162 WeakPolarHBondContact O-CB 3.41Å; M158-L162 VanDerWaalsContact O-CG 3.28Å; M158-L162 WeakPolarHBondContact O-CG 3.44Å; M158-L162 PolarHBondContact O-N 3.13Å; M158-L162 VanDerWaalsContact O-N 3.14Å; L162-E166 HydrophobicContact CB-CB 4.05Å; L162-E166 HydrophobicContact CD1-CB 4.42Å; L162-E166 HydrophobicContact CD2-CB 3.96Å; L162-E166 HydrophobicContact CG-CB 4.35Å; L162-W170 HydrophobicContact CD1-CB 4.07Å; L162-W170 HydrophobicContact CD1-CD2 4.38Å; L162-W170 HydrophobicContact CD1-CE3 4.23Å; L162-W170 HydrophobicContact CD1-CG 4.34Å | ||
| 163 | T | 95.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | trans | -67.7 | 162.5 | 166.5 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | H165 E166 S167 | T163-H165 PolarHBondContact O-N 2.93Å; T163-E166 VanDerWaalsContact CB-OE2 3.27Å; T163-E166 WeakPolarHBondContact CB-OE2 3.37Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.41Å; T163-E166 PolarHBondContact N-OE2 2.91Å; T163-E166 PolarHBondContact O-N 3.39Å; T163-E166 VanDerWaalsContact O-N 3.1Å; T163-E166 VanDerWaalsContact OG1-CD 3.3Å; T163-E166 WeakPolarHBondContact OG1-CG 3.4Å; T163-E166 PolarHBondContact OG1-OE2 3.05Å; T163-S167 WeakPolarHBondContact O-CB 3.29Å; T163-S167 PolarHBondContact O-N 2.93Å | ||
| 164 | S | 95.4 | Very high | 94.8 | Very high | 99 Ų | 99 | 52.7 Ų | 52.7 | 69% | 0.692 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53 | -41.5 | 180 | -44.7 | 0 | 0 | 0 | 0 | 113.1 | S167 D168 | S164-S167 WeakPolarHBondContact O-CB 3.25Å; S164-S167 PolarHBondContact O-N 3.11Å; S164-D168 PolarHBondContact O-N 2.98Å |
| 165 | H | 94.4 | Very high | 94.6 | Very high | 130 Ų | 130 | 56.7 Ų | 56.7 | 60% | 0.602 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.1 | -39.4 | 179.9 | -179.6 | 44.4 | 0 | 0 | 0 | 112.9 | T163 D168 I169 | T163-H165 PolarHBondContact O-N 2.93Å; H165-D168 PolarHBondContact O-N 3.06Å; H165-I169 WeakPolarHBondContact O-CG1 3.23Å; H165-I169 PolarHBondContact O-N 2.87Å |
| 166 | E | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.4 | -33.8 | 176.5 | -62.4 | 164.3 | 123.2 | 0 | 0 | 111.3 | H120 F123 L162 T163 I169 W170 | H120-E166 WeakPolarHBondContact CA-OE1 3.4Å; H120-E166 IonicContact CE1-OE1 2.69Å; H120-E166 IonicContact CE1-OE2 3.98Å; H120-E166 PolarHBondContact CE1-OE2 3.5Å; H120-E166 VanDerWaalsContact CE1-OE2 3.28Å; H120-E166 IonicContact CG-OE1 2.87Å; H120-E166 VanDerWaalsContact ND1-CD 3.26Å; H120-E166 IonicContact ND1-OE1 3.21Å; H120-E166 PolarHBondContact ND1-OE1 2.85Å; H120-E166 IonicContact ND1-OE2 2.73Å; H120-E166 PolarHBondContact ND1-OE2 3.33Å; F123-E166 HydrophobicContact CB-CB 4.31Å; F123-E166 HydrophobicContact CB-CG 3.78Å; F123-E166 HydrophobicContact CD1-CB 3.65Å; F123-E166 HydrophobicContact CD1-CG 4.04Å; F123-E166 HydrophobicContact CE1-CB 4.13Å; F123-E166 WeakPolarHBondContact CE1-O 3.42Å; F123-E166 HydrophobicContact CG-CB 3.89Å; F123-E166 HydrophobicContact CG-CG 3.93Å; L162-E166 HydrophobicContact CB-CB 4.05Å; L162-E166 HydrophobicContact CD1-CB 4.42Å; L162-E166 HydrophobicContact CD2-CB 3.96Å; L162-E166 HydrophobicContact CG-CB 4.35Å; T163-E166 VanDerWaalsContact CB-OE2 3.27Å; T163-E166 WeakPolarHBondContact CB-OE2 3.37Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.41Å; T163-E166 PolarHBondContact N-OE2 2.91Å; T163-E166 PolarHBondContact O-N 3.39Å; T163-E166 VanDerWaalsContact O-N 3.1Å; T163-E166 VanDerWaalsContact OG1-CD 3.3Å; T163-E166 WeakPolarHBondContact OG1-CG 3.4Å; T163-E166 PolarHBondContact OG1-OE2 3.05Å; E166-I169 WeakPolarHBondContact O-CB 3.26Å; E166-I169 PolarHBondContact O-N 3.15Å; E166-W170 WeakPolarHBondContact O-CB 3.26Å; E166-W170 PolarHBondContact O-N 3.39Å |
| 167 | S | 96.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 170.8 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | T163 S164 I169 W170 M171 | T163-S167 WeakPolarHBondContact O-CB 3.29Å; T163-S167 PolarHBondContact O-N 2.93Å; S164-S167 WeakPolarHBondContact O-CB 3.25Å; S164-S167 PolarHBondContact O-N 3.11Å; S167-I169 PolarHBondContact O-N 2.75Å; S167-W170 PolarHBondContact O-N 2.9Å; S167-M171 WeakPolarHBondContact O-CB 3.11Å; S167-M171 WeakPolarHBondContact O-CG 3.42Å; S167-M171 PolarHBondContact O-N 3.04Å |
| 168 | D | 95.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 54 Ų | 54 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.4 | -44.5 | 172.9 | -69.3 | -33.5 | 0 | 0 | 0 | 111.7 | S164 H165 M171 S172 | S164-D168 PolarHBondContact O-N 2.98Å; H165-D168 PolarHBondContact O-N 3.06Å; D168-M171 PolarHBondContact O-N 3.36Å; D168-S172 PolarHBondContact O-N 3.19Å |
| 169 | I | 96 | Very high | 94.1 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 173.7 | -69.2 | 165.1 | 0 | 0 | 0 | 110 | F123 L126 A127 L130 H165 E166 S167 M171 S172 L173 | F123-I169 HydrophobicContact CD1-CB 4.19Å; F123-I169 HydrophobicContact CD1-CG2 3.96Å; F123-I169 HydrophobicContact CE1-CB 4.2Å; F123-I169 HydrophobicContact CE1-CG2 3.95Å; L126-I169 HydrophobicContact CD2-CG2 4.42Å; A127-I169 HydrophobicContact CB-CD1 4.16Å; L130-I169 HydrophobicContact CD1-CG2 3.74Å; H165-I169 WeakPolarHBondContact O-CG1 3.23Å; H165-I169 PolarHBondContact O-N 2.87Å; E166-I169 WeakPolarHBondContact O-CB 3.26Å; E166-I169 PolarHBondContact O-N 3.15Å; S167-I169 PolarHBondContact O-N 2.75Å; I169-M171 VanDerWaalsContact C-N 3.34Å; I169-M171 PolarHBondContact O-N 3.17Å; I169-S172 WeakPolarHBondContact O-CB 3.47Å; I169-S172 PolarHBondContact O-N 2.92Å; I169-S172 PolarHBondContact O-OG 3.41Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.47Å |
| 170 | W | 96.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | -180 | 178.4 | 42.3 | 0 | 0 | 0 | 112.4 | F123 R155 M158 Q159 L162 E166 S167 S172 L173 W177 R178 | F123-W170 HydrophobicContact CE1-CB 4.01Å; F123-W170 HydrophobicContact CZ-CB 4.01Å; R155-W170 HydrophobicContact CG-CH2 4.07Å; R155-W170 HydrophobicContact CG-CZ2 4.15Å; M158-W170 HydrophobicContact CB-CD2 4.41Å; M158-W170 HydrophobicContact CB-CE3 4.34Å; M158-W170 HydrophobicContact CB-CH2 4.34Å; M158-W170 HydrophobicContact CB-CZ2 4.4Å; M158-W170 HydrophobicContact CB-CZ3 4.3Å; M158-W170 HydrophobicContact CE-CD2 4.41Å; M158-W170 HydrophobicContact CE-CH2 4.45Å; M158-W170 HydrophobicContact CE-CZ2 3.55Å; M158-W170 HydrophobicContact SD-CD2 4.28Å; M158-W170 HydrophobicContact SD-CG 4.35Å; M158-W170 HydrophobicContact SD-CZ2 4.44Å; Q159-W170 HydrophobicContact CG-CH2 3.64Å; Q159-W170 HydrophobicContact CG-CZ3 3.65Å; L162-W170 HydrophobicContact CD1-CB 4.07Å; L162-W170 HydrophobicContact CD1-CD2 4.38Å; L162-W170 HydrophobicContact CD1-CE3 4.23Å; L162-W170 HydrophobicContact CD1-CG 4.34Å; E166-W170 WeakPolarHBondContact O-CB 3.26Å; E166-W170 PolarHBondContact O-N 3.39Å; S167-W170 PolarHBondContact O-N 2.9Å; W170-S172 VanDerWaalsContact C-N 3.26Å; W170-S172 PolarHBondContact O-N 2.92Å; W170-L173 WeakPolarHBondContact O-CB 3.23Å; W170-L173 PolarHBondContact O-N 3.25Å; W170-W177 PolarHBondContact NE1-O 2.99Å; W170-R178 HydrophobicContact CZ2-CB 4.46Å; W170-R178 HydrophobicContact CZ2-CG 3.89Å |
| 171 | M | 94.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 46 Ų | 46 | 38% | 0.384 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -29.7 | 175.9 | -67.3 | -67 | 166.3 | 0 | 0 | 112.7 | S167 D168 I169 R178 | S167-M171 WeakPolarHBondContact O-CB 3.11Å; S167-M171 WeakPolarHBondContact O-CG 3.42Å; S167-M171 PolarHBondContact O-N 3.04Å; D168-M171 PolarHBondContact O-N 3.36Å; I169-M171 VanDerWaalsContact C-N 3.34Å; I169-M171 PolarHBondContact O-N 3.17Å; M171-R178 PolarHBondContact O-NH1 3.24Å; M171-R178 WeakPolarHBondContact SD-CD 3.24Å; M171-R178 PolarHBondContact SD-NH1 3.13Å |
| 172 | S | 93.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.7 | -18.3 | 176.2 | 83.7 | 0 | 0 | 0 | 0 | 114.7 | D168 I169 W170 G174 | D168-S172 PolarHBondContact O-N 3.19Å; I169-S172 WeakPolarHBondContact O-CB 3.47Å; I169-S172 PolarHBondContact O-N 2.92Å; I169-S172 PolarHBondContact O-OG 3.41Å; W170-S172 VanDerWaalsContact C-N 3.26Å; W170-S172 PolarHBondContact O-N 2.92Å; S172-G174 PolarHBondContact O-N 2.87Å |
| 173 | L | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.2 | -178.3 | -57.7 | 179.3 | 0 | 0 | 0 | 113.6 | L126 L130 A142 P143 I169 W170 W177 | L126-L173 HydrophobicContact CD2-CD1 4.14Å; L130-L173 HydrophobicContact CD1-CD2 3.66Å; L130-L173 HydrophobicContact CD2-CD2 3.75Å; L130-L173 HydrophobicContact CG-CD2 4.3Å; A142-L173 CarbonylContact C-O 3.18Å; A142-L173 HydrophobicContact CB-CD2 3.93Å; P143-L173 VanDerWaalsContact CA-O 3.3Å; P143-L173 WeakPolarHBondContact CA-O 3.35Å; P143-L173 WeakPolarHBondContact CG-O 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.47Å; W170-L173 WeakPolarHBondContact O-CB 3.23Å; W170-L173 PolarHBondContact O-N 3.25Å; L173-W177 HydrophobicContact CB-CB 3.74Å; L173-W177 HydrophobicContact CB-CD2 3.8Å; L173-W177 HydrophobicContact CB-CE3 4.42Å; L173-W177 HydrophobicContact CB-CG 3.48Å; L173-W177 VanDerWaalsContact CB-CG 3.48Å; L173-W177 HydrophobicContact CD1-CB 4.27Å; L173-W177 HydrophobicContact CD1-CD2 3.63Å; L173-W177 HydrophobicContact CD1-CE3 3.35Å; L173-W177 HydrophobicContact CD1-CG 4.07Å; L173-W177 HydrophobicContact CD1-CH2 4.48Å; L173-W177 HydrophobicContact CD1-CZ3 3.81Å; L173-W177 HydrophobicContact CG-CD2 4.27Å; L173-W177 HydrophobicContact CG-CE3 4.43Å; L173-W177 HydrophobicContact CG-CG 4.4Å |
| 174 | G | 91.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | trans | 104.9 | -170.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S172 R178 | S172-G174 PolarHBondContact O-N 2.87Å; G174-R178 PolarHBondContact O-NE 3.42Å; G174-R178 PolarHBondContact O-NH2 3.28Å | ||
| 175 | E | 91.1 | Very high | 92.2 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -66.8 | -48.2 | -175.7 | -178.7 | -165.4 | -139 | 0 | 0 | 112.4 | W177 R178 T179 W184 K186 | E175-W177 PolarHBondContact O-N 3.39Å; E175-R178 PolarHBondContact O-N 2.93Å; E175-T179 PolarHBondContact O-N 3.15Å; E175-T179 PolarHBondContact O-OG1 2.67Å; E175-W184 HydrophobicContact CG-CZ3 4.21Å; E175-K186 IonicContact OE1-NZ 3.57Å; E175-K186 PolarHBondContact OE1-NZ 2.84Å; E175-K186 IonicContact OE2-NZ 3.44Å; E175-K186 PolarHBondContact OE2-NZ 3.14Å |
| 176 | A | 89.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -65.9 | -3.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K97 W184 | K97-A176 WeakPolarHBondContact CE-O 3.28Å; K97-A176 PolarHBondContact NZ-O 3.32Å; A176-W184 HydrophobicContact CB-CH2 3.81Å; A176-W184 HydrophobicContact CB-CZ3 3.96Å |
| 177 | W | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -104.9 | 0.7 | 173.3 | -65.1 | 76.8 | 0 | 0 | 0 | 112.7 | L93 F96 K97 F100 A142 V145 L150 W170 L173 E175 | L93-W177 HydrophobicContact CB-CH2 4.05Å; L93-W177 HydrophobicContact CB-CZ2 3.99Å; L93-W177 HydrophobicContact CD2-CH2 3.79Å; L93-W177 HydrophobicContact CD2-CZ2 4.02Å; L93-W177 HydrophobicContact CG-CZ2 4.49Å; L93-W177 WeakPolarHBondContact O-CH2 3.16Å; F96-W177 HydrophobicContact CB-CH2 4.26Å; F96-W177 HydrophobicContact CB-CZ3 4.26Å; K97-W177 HydrophobicContact CD-CD2 3.88Å; K97-W177 HydrophobicContact CD-CE3 3.99Å; K97-W177 HydrophobicContact CD-CH2 3.93Å; K97-W177 HydrophobicContact CD-CZ2 3.77Å; K97-W177 HydrophobicContact CD-CZ3 4.03Å; K97-W177 HydrophobicContact CG-CD2 3.97Å; K97-W177 HydrophobicContact CG-CE3 3.53Å; K97-W177 HydrophobicContact CG-CH2 3.45Å; K97-W177 VanDerWaalsContact CG-CH2 3.45Å; K97-W177 HydrophobicContact CG-CZ2 3.86Å; K97-W177 HydrophobicContact CG-CZ3 3.26Å; F100-W177 HydrophobicContact CD2-CZ3 4.5Å; F100-W177 HydrophobicContact CE2-CE3 4.34Å; F100-W177 AromaticContact CE2-CZ3 3.99Å; F100-W177 HydrophobicContact CE2-CZ3 3.99Å; A142-W177 HydrophobicContact CB-CZ2 4.04Å; A142-W177 PolarHBondContact O-NE1 3.35Å; V145-W177 HydrophobicContact CB-CZ2 4.27Å; L150-W177 HydrophobicContact CD1-CE3 4.46Å; L150-W177 VanDerWaalsContact CD1-O 3.26Å; L150-W177 WeakPolarHBondContact CD1-O 3.35Å; W170-W177 PolarHBondContact NE1-O 2.99Å; L173-W177 HydrophobicContact CB-CB 3.74Å; L173-W177 HydrophobicContact CB-CD2 3.8Å; L173-W177 HydrophobicContact CB-CE3 4.42Å; L173-W177 HydrophobicContact CB-CG 3.48Å; L173-W177 VanDerWaalsContact CB-CG 3.48Å; L173-W177 HydrophobicContact CD1-CB 4.27Å; L173-W177 HydrophobicContact CD1-CD2 3.63Å; L173-W177 HydrophobicContact CD1-CE3 3.35Å; L173-W177 HydrophobicContact CD1-CG 4.07Å; L173-W177 HydrophobicContact CD1-CH2 4.48Å; L173-W177 HydrophobicContact CD1-CZ3 3.81Å; L173-W177 HydrophobicContact CG-CD2 4.27Å; L173-W177 HydrophobicContact CG-CE3 4.43Å; L173-W177 HydrophobicContact CG-CG 4.4Å; E175-W177 PolarHBondContact O-N 3.39Å |
| 178 | R | 92 | Very high | 90.6 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -27.1 | -176.2 | -67.3 | -179.4 | -69.9 | 177.5 | 2.6 | 113.1 | R155 W170 M171 G174 E175 | R155-R178 WeakPolarHBondContact CD-O 3.47Å; W170-R178 HydrophobicContact CZ2-CB 4.46Å; W170-R178 HydrophobicContact CZ2-CG 3.89Å; M171-R178 PolarHBondContact O-NH1 3.24Å; M171-R178 WeakPolarHBondContact SD-CD 3.24Å; M171-R178 PolarHBondContact SD-NH1 3.13Å; G174-R178 PolarHBondContact O-NE 3.42Å; G174-R178 PolarHBondContact O-NH2 3.28Å; E175-R178 PolarHBondContact O-N 2.93Å |
| 179 | T | 90.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -87.8 | 118.6 | 174.8 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | E175 D183 W184 | E175-T179 PolarHBondContact O-N 3.15Å; E175-T179 PolarHBondContact O-OG1 2.67Å; T179-D183 VanDerWaalsContact CG2-C 3.47Å; T179-D183 HydrophobicContact CG2-CB 3.64Å; T179-D183 VanDerWaalsContact CG2-O 3.29Å; T179-D183 WeakPolarHBondContact CG2-O 3.3Å; T179-W184 HydrophobicContact CG2-CB 4.43Å; T179-W184 HydrophobicContact CG2-CE3 3.89Å |
| 180 | P | 90.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | trans | -76.8 | 170.5 | 174.9 | 36.1 | -39 | 0 | 0 | 0 | 112 | L150 E182 D183 W184 | L150-P180 VanDerWaalsContact O-CA 3.24Å; L150-P180 WeakPolarHBondContact O-CA 3.34Å; L150-P180 WeakPolarHBondContact O-CB 3.4Å; P180-E182 WeakPolarHBondContact CB-OE2 3.49Å; P180-E182 PolarHBondContact O-N 2.96Å; P180-E182 VanDerWaalsContact O-N 3.14Å; P180-D183 WeakPolarHBondContact CD-OD2 3.4Å; P180-D183 HydrophobicContact CG-CB 4.21Å; P180-D183 WeakPolarHBondContact CG-OD2 3.26Å; P180-D183 PolarHBondContact O-N 3.03Å; P180-W184 PolarHBondContact O-N 3Å | ||
| 181 | P | 87.4 | Confident | 88.9 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -54.8 | -31.9 | -176.2 | -25.2 | 33.1 | 0 | 0 | 0 | 114.9 | L149 L150 W184 L188 | L149-P181 HydrophobicContact CB-CG 4.08Å; L149-P181 HydrophobicContact CD1-CB 4.35Å; L149-P181 HydrophobicContact CD1-CG 4.41Å; L150-P181 WeakPolarHBondContact O-CD 3.44Å; P181-W184 PolarHBondContact O-N 3.1Å; P181-L188 HydrophobicContact CB-CD2 4.41Å |
| 182 | E | 86.6 | Confident | 88.7 | Confident | 136 Ų | 136 | 63.6 Ų | 63.6 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -74.5 | -33.9 | -175.5 | -57.4 | 67.9 | -142.8 | 0 | 0 | 111.9 | P180 | P180-E182 WeakPolarHBondContact CB-OE2 3.49Å; P180-E182 PolarHBondContact O-N 2.96Å; P180-E182 VanDerWaalsContact O-N 3.14Å |
| 183 | D | 86.8 | Confident | 88.4 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -91.8 | 0.8 | 178.1 | -63.1 | -43.9 | 0 | 0 | 0 | 112.5 | T179 P180 T185 | T179-D183 VanDerWaalsContact CG2-C 3.47Å; T179-D183 HydrophobicContact CG2-CB 3.64Å; T179-D183 VanDerWaalsContact CG2-O 3.29Å; T179-D183 WeakPolarHBondContact CG2-O 3.3Å; P180-D183 WeakPolarHBondContact CD-OD2 3.4Å; P180-D183 HydrophobicContact CG-CB 4.21Å; P180-D183 WeakPolarHBondContact CG-OD2 3.26Å; P180-D183 PolarHBondContact O-N 3.03Å; D183-T185 PolarHBondContact O-N 3.16Å; D183-T185 VanDerWaalsContact O-N 3.14Å |
| 184 | W | 89.8 | Confident | 88.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 12% | 0.117 | 36% | 0.356 | C | S | . | . | trans | -78.6 | 101.1 | -171 | -172.5 | -108 | 0 | 0 | 0 | 112.4 | L149 E175 A176 T179 P180 P181 K186 P187 L188 | L149-W184 HydrophobicContact CD1-CB 3.88Å; L149-W184 HydrophobicContact CD1-CD2 3.96Å; L149-W184 HydrophobicContact CD1-CG 3.62Å; L149-W184 HydrophobicContact CD2-CD2 3.91Å; L149-W184 HydrophobicContact CD2-CE3 3.91Å; L149-W184 HydrophobicContact CD2-CG 4.45Å; L149-W184 HydrophobicContact CD2-CH2 4.49Å; L149-W184 HydrophobicContact CD2-CZ2 4.47Å; L149-W184 HydrophobicContact CD2-CZ3 4.21Å; E175-W184 HydrophobicContact CG-CZ3 4.21Å; A176-W184 HydrophobicContact CB-CH2 3.81Å; A176-W184 HydrophobicContact CB-CZ3 3.96Å; T179-W184 HydrophobicContact CG2-CB 4.43Å; T179-W184 HydrophobicContact CG2-CE3 3.89Å; P180-W184 PolarHBondContact O-N 3Å; P181-W184 PolarHBondContact O-N 3.1Å; W184-K186 VanDerWaalsContact C-N 3.25Å; W184-K186 HydrophobicContact CH2-CD 4.06Å; W184-K186 HydrophobicContact CZ2-CB 3.96Å; W184-K186 HydrophobicContact CZ2-CD 3.89Å; W184-K186 PolarHBondContact NE1-O 3.42Å; W184-K186 PolarHBondContact O-N 2.81Å; W184-P187 PolarHBondContact NE1-O 3.39Å; W184-L188 HydrophobicContact CB-CD2 4.41Å | ||
| 185 | T | 87.5 | Confident | 88.3 | Confident | 122 Ų | 122 | 70.3 Ų | 70.3 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | trans | -72.2 | -8 | -175 | 58 | 0 | 0 | 0 | 0 | 115.8 | D183 | D183-T185 PolarHBondContact O-N 3.16Å; D183-T185 VanDerWaalsContact O-N 3.14Å | ||
| 186 | K | 85.9 | Confident | 88.4 | Confident | 99 Ų | 99 | 66.5 Ų | 66.5 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -103.4 | 166.2 | -178 | -69.7 | 157.4 | -171.9 | 168.8 | 0 | 109.4 | E175 W184 L188 | E175-K186 IonicContact OE1-NZ 3.57Å; E175-K186 PolarHBondContact OE1-NZ 2.84Å; E175-K186 IonicContact OE2-NZ 3.44Å; E175-K186 PolarHBondContact OE2-NZ 3.14Å; W184-K186 VanDerWaalsContact C-N 3.25Å; W184-K186 HydrophobicContact CH2-CD 4.06Å; W184-K186 HydrophobicContact CZ2-CB 3.96Å; W184-K186 HydrophobicContact CZ2-CD 3.89Å; W184-K186 PolarHBondContact NE1-O 3.42Å; W184-K186 PolarHBondContact O-N 2.81Å; K186-L188 PolarHBondContact O-N 2.94Å |
| 187 | P | 84.4 | Confident | 88.3 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 80% | 0.799 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 132 | 171.4 | -27.5 | 36 | 0 | 0 | 0 | 111 | W184 | W184-P187 PolarHBondContact NE1-O 3.39Š|
| 188 | L | 85.3 | Confident | 87.8 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 132.4 | 179.8 | -76.6 | 168.7 | 0 | 0 | 0 | 109.7 | L149 P181 W184 K186 | L149-L188 HydrophobicContact CD1-CD2 4.02Å; P181-L188 HydrophobicContact CB-CD2 4.41Å; W184-L188 HydrophobicContact CB-CD2 4.41Å; K186-L188 PolarHBondContact O-N 2.94Å |
| 189 | P | 86.6 | Confident | 87.6 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 20% | 0.201 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 152 | 179.7 | 27.4 | -33 | 0 | 0 | 0 | 111.2 | A146 L149 | A146-P189 HydrophobicContact CB-CB 4.47Å; L149-P189 HydrophobicContact CD1-CG 4.13Å; L149-P189 HydrophobicContact CG-CG 3.9Å |
| 190 | P | 81.9 | Confident | 87.6 | Confident | 105 Ų | 105 | 75.2 Ų | 75.2 | 68% | 0.682 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -55 | 142.5 | 175 | -26.4 | 34.9 | 0 | 0 | 0 | 112.3 | S147 Y192 | S147-P190 PolarHBondContact OG-O 3.43Å; P190-Y192 PolarHBondContact O-N 3.22Å |
| 191 | P | 83.3 | Confident | 87.6 | Confident | 107 Ų | 107 | 76.1 Ų | 76.1 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 126.6 | 179.7 | -27.7 | 34.9 | 0 | 0 | 0 | 112.2 | R193 | P191-R193 PolarHBondContact O-N 3.4Š|
| 192 | Y | 90.1 | Very high | 87.5 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 13% | 0.125 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -71 | 121.3 | -179.5 | -177.4 | -131 | 0 | 0 | 0 | 110.7 | D91 K94 L98 P148 P190 P194 | D91-Y192 PolarHBondContact OD1-OH 3.44Å; D91-Y192 VanDerWaalsContact OD1-OH 3.11Å; K94-Y192 HydrophobicContact CB-CD1 4.42Å; K94-Y192 HydrophobicContact CB-CD2 4.32Å; K94-Y192 HydrophobicContact CB-CE1 3.8Å; K94-Y192 HydrophobicContact CB-CE2 3.72Å; K94-Y192 VanDerWaalsContact CB-CZ 3.41Å; K94-Y192 HydrophobicContact CD-CD2 3.82Å; K94-Y192 HydrophobicContact CD-CE2 3.45Å; K94-Y192 VanDerWaalsContact CD-CE2 3.45Å; K94-Y192 HydrophobicContact CG-CE2 4.22Å; L98-Y192 HydrophobicContact CB-CD1 4.3Å; L98-Y192 HydrophobicContact CB-CE1 4.15Å; L98-Y192 HydrophobicContact CD2-CD1 4.2Å; L98-Y192 HydrophobicContact CD2-CE1 3.93Å; P148-Y192 HydrophobicContact CG-CD1 3.9Å; P148-Y192 HydrophobicContact CG-CG 4.32Å; P190-Y192 PolarHBondContact O-N 3.22Å; Y192-P194 HydrophobicContact CD1-CB 4.49Å; Y192-P194 HydrophobicContact CE1-CB 3.72Å; Y192-P194 HydrophobicContact CE1-CG 4.28Å |
| 193 | R | 87.8 | Confident | 87.4 | Confident | 128 Ų | 128 | 71.4 Ų | 71.4 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | trans | -111.9 | 99.4 | 168 | -59.3 | -171.9 | -167.9 | -104.4 | -5 | 107.5 | P191 Y203 | P191-R193 PolarHBondContact O-N 3.4Å; R193-Y203 PolarHBondContact NH1-O 3.32Å | ||
| 194 | P | 91.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | trans | -65 | 147.2 | 176.4 | 29.4 | -36.5 | 0 | 0 | 0 | 110.3 | L98 Y192 F196 P202 Y203 | L98-P194 HydrophobicContact CD2-CB 4.08Å; L98-P194 HydrophobicContact CD2-CG 3.64Å; Y192-P194 HydrophobicContact CD1-CB 4.49Å; Y192-P194 HydrophobicContact CE1-CB 3.72Å; Y192-P194 HydrophobicContact CE1-CG 4.28Å; P194-F196 HydrophobicContact CB-CE1 4.42Å; P194-F196 HydrophobicContact CB-CE2 3.82Å; P194-F196 HydrophobicContact CB-CZ 3.77Å; P194-F196 HydrophobicContact CG-CE2 3.83Å; P194-F196 HydrophobicContact CG-CZ 3.98Å; P194-P202 HydrophobicContact CG-CG 3.93Å; P194-Y203 HydrophobicContact CG-CE2 4.47Å | ||
| 195 | I | 91.9 | Very high | 86 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 45% | 0.451 | 41% | 0.413 | S | S | . | . | trans | -122.7 | 126 | 162.4 | -57.5 | 176.7 | 0 | 0 | 0 | 105.9 | K95 F200 A201 V205 | K95-I195 WeakPolarHBondContact CE-O 3.43Å; K95-I195 PolarHBondContact NZ-O 3.29Å; I195-F200 WeakPolarHBondContact CA-O 3.49Å; I195-A201 HydrophobicContact CG1-CB 4.45Å; I195-V205 HydrophobicContact CD1-CG1 4.33Å | ||
| 196 | F | 92.9 | Very high | 84.6 | Confident | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.022 | 41% | 0.408 | C | S | . | . | trans | -93.6 | 162.2 | -178.1 | -62.8 | -79.2 | 0 | 0 | 0 | 111.4 | T25 R28 C29 D32 K95 P194 D198 G199 F200 P202 | T25-F196 HydrophobicContact CG2-CE2 4.1Å; T25-F196 HydrophobicContact CG2-CZ 3.91Å; R28-F196 HydrophobicContact CB-CD1 3.76Å; R28-F196 HydrophobicContact CB-CD2 4.07Å; R28-F196 HydrophobicContact CB-CE1 3.92Å; R28-F196 HydrophobicContact CB-CE2 4.2Å; R28-F196 HydrophobicContact CB-CG 3.84Å; R28-F196 HydrophobicContact CB-CZ 4.13Å; R28-F196 WeakPolarHBondContact O-CD1 3.5Å; C29-F196 HydrophobicContact CB-CE1 4.32Å; C29-F196 VanDerWaalsContact SG-CE1 3.52Å; C29-F196 VanDerWaalsContact SG-CZ 3.58Å; D32-F196 WeakPolarHBondContact OD2-CA 3.38Å; K95-F196 HydrophobicContact CD-CD1 4.26Å; K95-F196 HydrophobicContact CD-CE1 4.13Å; K95-F196 HydrophobicContact CG-CE1 4.25Å; P194-F196 HydrophobicContact CB-CE1 4.42Å; P194-F196 HydrophobicContact CB-CE2 3.82Å; P194-F196 HydrophobicContact CB-CZ 3.77Å; P194-F196 HydrophobicContact CG-CE2 3.83Å; P194-F196 HydrophobicContact CG-CZ 3.98Å; F196-D198 WeakPolarHBondContact CB-OD1 3.35Å; F196-D198 PolarHBondContact O-N 2.93Å; F196-G199 PolarHBondContact O-N 3.2Å; F196-F200 HydrophobicContact CB-CB 4.34Å; F196-F200 HydrophobicContact CD2-CB 4.18Å; F196-F200 AromaticContact CD2-CD1 3.66Å; F196-F200 HydrophobicContact CD2-CD1 3.66Å; F196-F200 HydrophobicContact CD2-CG 4.36Å; F196-F200 WeakPolarHBondContact CD2-O 3.44Å; F196-F200 AromaticContact CE2-CD1 3.98Å; F196-F200 HydrophobicContact CE2-CD1 3.98Å; F196-F200 PolarHBondContact N-O 3.34Å; F196-P202 HydrophobicContact CE2-CG 4.22Å | ||
| 197 | N | 86.8 | Confident | 82.8 | Confident | 105 Ų | 105 | 71 Ų | 71 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6.9 | -174.4 | -73.1 | -11.4 | 0 | 0 | 0 | 115.2 | D32 | D32-N197 VanDerWaalsContact OD1-CB 3.29Å; D32-N197 WeakPolarHBondContact OD1-CB 3.43Å; D32-N197 PolarHBondContact OD1-ND2 3.11Å; D32-N197 PolarHBondContact OD2-N 2.91Å |
| 198 | D | 85.8 | Confident | 81 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1.5 | 171.3 | 63.2 | -10.1 | 0 | 0 | 0 | 113.6 | R28 F196 F200 | R28-D198 VanDerWaalsContact CD-OD2 3.26Å; R28-D198 WeakPolarHBondContact CD-OD2 3.32Å; R28-D198 IonicContact CZ-OD2 3.26Å; R28-D198 IonicContact NE-OD2 2.84Å; R28-D198 IonicContact NH1-OD2 2.74Å; R28-D198 PolarHBondContact NH1-OD2 3.46Å; F196-D198 WeakPolarHBondContact CB-OD1 3.35Å; F196-D198 PolarHBondContact O-N 2.93Å; D198-F200 VanDerWaalsContact OD1-CB 3.23Å; D198-F200 WeakPolarHBondContact OD1-CB 3.3Å; D198-F200 PolarHBondContact OD1-N 2.93Å |
| 199 | G | 86.9 | Confident | 78.7 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 88.4 | 2.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F196 | F196-G199 PolarHBondContact O-N 3.2Š|
| 200 | F | 89.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 27% | 0.268 | 44% | 0.444 | S | S | . | . | trans | -64.5 | 136.7 | 176.2 | -175.6 | -120 | 0 | 0 | 0 | 111.1 | R28 I195 F196 D198 P202 | R28-F200 HydrophobicContact CG-CD1 4.11Å; I195-F200 WeakPolarHBondContact CA-O 3.49Å; F196-F200 HydrophobicContact CB-CB 4.34Å; F196-F200 HydrophobicContact CD2-CB 4.18Å; F196-F200 AromaticContact CD2-CD1 3.66Å; F196-F200 HydrophobicContact CD2-CD1 3.66Å; F196-F200 HydrophobicContact CD2-CG 4.36Å; F196-F200 WeakPolarHBondContact CD2-O 3.44Å; F196-F200 AromaticContact CE2-CD1 3.98Å; F196-F200 HydrophobicContact CE2-CD1 3.98Å; F196-F200 PolarHBondContact N-O 3.34Å; D198-F200 VanDerWaalsContact OD1-CB 3.23Å; D198-F200 WeakPolarHBondContact OD1-CB 3.3Å; D198-F200 PolarHBondContact OD1-N 2.93Å; F200-P202 HydrophobicContact CE1-CB 3.83Å; F200-P202 HydrophobicContact CE1-CG 4.1Å; F200-P202 HydrophobicContact CZ-CB 3.85Å | ||
| 201 | A | 90.4 | Very high | 74.3 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | trans | -144 | 87.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I195 Y203 G204 V205 | I195-A201 HydrophobicContact CG1-CB 4.45Å; A201-Y203 PolarHBondContact O-N 3.49Å; A201-Y203 VanDerWaalsContact O-N 3.11Å; A201-G204 PolarHBondContact O-N 3.14Å; A201-V205 HydrophobicContact CB-CG1 4.28Å | ||
| 202 | P | 85.6 | Confident | 72 | Confident | 17 Ų | 17 | 78 Ų | 78 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | -168.6 | 25.4 | -36.1 | 0 | 0 | 0 | 114.6 | R21 T25 P194 F196 F200 | R21-P202 WeakPolarHBondContact CD-O 3.46Å; R21-P202 HydrophobicContact CG-CB 4.03Å; T25-P202 HydrophobicContact CG2-CG 3.84Å; T25-P202 VanDerWaalsContact OG1-CB 3.31Å; T25-P202 WeakPolarHBondContact OG1-CB 3.23Å; T25-P202 WeakPolarHBondContact OG1-CG 3.03Å; P194-P202 HydrophobicContact CG-CG 3.93Å; F196-P202 HydrophobicContact CE2-CG 4.22Å; F200-P202 HydrophobicContact CE1-CB 3.83Å; F200-P202 HydrophobicContact CE1-CG 4.1Å; F200-P202 HydrophobicContact CZ-CB 3.85Å |
| 203 | Y | 83.8 | Confident | 69.4 | Low | 67 Ų | 67 | 82.3 Ų | 82.3 | 26% | 0.263 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 20.8 | 175.3 | -44.8 | -52.8 | 0 | 0 | 0 | 111.9 | R193 P194 A201 | R193-Y203 PolarHBondContact NH1-O 3.32Å; P194-Y203 HydrophobicContact CG-CE2 4.47Å; A201-Y203 PolarHBondContact O-N 3.49Å; A201-Y203 VanDerWaalsContact O-N 3.11Å |
| 204 | G | 76.3 | Confident | 66.8 | Low | 36 Ų | 36 | 82.7 Ų | 82.7 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | trans | 71.9 | 161 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A201 | A201-G204 PolarHBondContact O-N 3.14Š| ||
| 205 | V | 72.1 | Confident | 64.1 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | trans | -68.4 | 146.6 | 167.8 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | I195 A201 D207 | I195-V205 HydrophobicContact CD1-CG1 4.33Å; A201-V205 HydrophobicContact CB-CG1 4.28Å; V205-D207 PolarHBondContact O-N 3.48Å | ||
| 206 | A | 58.8 | Low | 61.7 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | trans | -65.5 | 120.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R208 | A206-R208 PolarHBondContact O-N 3.26Å; A206-R208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | D | 47 | Very low | 59.1 | Low | 121 Ų | 121 | 103.8 Ų | 103.8 | 65% | 0.647 | 58% | 0.583 | S | S | * | * | trans | -65.9 | 115.7 | -176 | -172.1 | -1.4 | 0 | 0 | 0 | 111.1 | V205 A209 | V205-D207 PolarHBondContact O-N 3.48Å; D207-A209 PolarHBondContact O-N 2.93Å; D207-A209 VanDerWaalsContact OD1-CB 3.22Å; D207-A209 WeakPolarHBondContact OD1-CB 3.35Å; D207-A209 PolarHBondContact OD1-N 3.26Å | ||
| 208 | R | 46.1 | Very low | 56.7 | Low | 222 Ų | 222 | 110.2 Ų | 110.2 | 84% | 0.838 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -75.8 | -9.9 | -177.1 | -163.4 | 168.9 | 176.4 | 166.8 | -1.4 | 112.4 | A206 M210 A211 | A206-R208 PolarHBondContact O-N 3.26Å; A206-R208 VanDerWaalsContact O-N 3.15Å; R208-M210 VanDerWaalsContact C-N 3.29Å; R208-M210 PolarHBondContact O-N 2.93Å; R208-A211 PolarHBondContact O-N 2.74Å |
| 209 | A | 37.3 | Very low | 54.2 | Low | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -66.3 | -22.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D207 | D207-A209 PolarHBondContact O-N 2.93Å; D207-A209 VanDerWaalsContact OD1-CB 3.22Å; D207-A209 WeakPolarHBondContact OD1-CB 3.35Å; D207-A209 PolarHBondContact OD1-N 3.26Å |
| 210 | M | 39.9 | Very low | 52 | Low | 174 Ų | 174 | 116.2 Ų | 116.2 | 86% | 0.857 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -87.8 | 1.3 | -179.1 | -71.2 | -71.5 | 172.7 | 0 | 0 | 114.4 | R208 | R208-M210 VanDerWaalsContact C-N 3.29Å; R208-M210 PolarHBondContact O-N 2.93Å |
| 211 | A | 36.1 | Very low | 49.8 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 72% | 0.719 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -106.4 | 12.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R208 | R208-A211 PolarHBondContact O-N 2.74Š|
| 212 | T | 34.5 | Very low | 47.1 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 56% | 0.564 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -118 | 133.9 | 165.9 | 45.6 | 0 | 0 | 0 | 0 | 109.7 | N214 | T212-N214 PolarHBondContact O-N 2.99Å; T212-N214 VanDerWaalsContact O-N 3.11Å |
| 213 | P | 37 | Very low | 44.8 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | -64.7 | 115.3 | 170 | 28.1 | -32.5 | 0 | 0 | 0 | 108.4 | Q215 | P213-Q215 PolarHBondContact O-N 2.88Š| ||
| 214 | N | 33.3 | Very low | 42.3 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -55.7 | 113.7 | 179.3 | -85.8 | -36.4 | 0 | 0 | 0 | 110 | T212 I216 | T212-N214 PolarHBondContact O-N 2.99Å; T212-N214 VanDerWaalsContact O-N 3.11Å; N214-I216 PolarHBondContact O-N 3.26Å | ||
| 215 | Q | 34.8 | Very low | 40.3 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -70.6 | 87.9 | 165.7 | -74.4 | -165.9 | 57 | 0 | 0 | 108 | P213 H217 | P213-Q215 PolarHBondContact O-N 2.88Å; Q215-H217 PolarHBondContact O-N 3.23Å; Q215-H217 VanDerWaalsContact O-N 3.08Å | ||
| 216 | I | 40 | Very low | 38.6 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -57.3 | 115.1 | 172.4 | -56.2 | 172.7 | 0 | 0 | 0 | 107.1 | N214 R218 | N214-I216 PolarHBondContact O-N 3.26Å; I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 2.93Å | ||
| 217 | H | 39.3 | Very low | 37.5 | Very low | 196 Ų | 196 | 146 Ų | 146 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 91.6 | 174.2 | -87.9 | -57.4 | 0 | 0 | 0 | 110 | Q215 | Q215-H217 PolarHBondContact O-N 3.23Å; Q215-H217 VanDerWaalsContact O-N 3.08Å | ||
| 218 | R | 35 | Very low | 36.8 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 119.7 | 174.2 | -154.9 | 173.9 | -161.2 | 162.6 | 6 | 108.2 | I216 | I216-R218 VanDerWaalsContact C-N 3.3Å; I216-R218 PolarHBondContact O-N 2.93Å | ||
| 219 | G | 33.7 | Very low | 36.3 | Very low | 65 Ų | 65 | 149.3 Ų | 149.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -59.7 | 155.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S221 | G219-S221 PolarHBondContact O-N 3.15Š| ||
| 220 | H | 40.9 | Very low | 36.2 | Very low | 199 Ų | 199 | 152.5 Ų | 152.5 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -64.7 | 89.2 | -178.9 | -63.4 | -79.9 | 0 | 0 | 0 | 112.8 | ||
| 221 | S | 43.6 | Very low | 36.1 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -167.7 | 70.6 | 163 | -81.1 | 0 | 0 | 0 | 0 | 112 | G219 | G219-S221 PolarHBondContact O-N 3.15Š| ||
| 222 | A | 33.9 | Very low | 36.2 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -155.8 | 143.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 223 | P | 37.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 158.1 Ų | 158.1 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 162.7 | -179.5 | 33.5 | -35.8 | 0 | 0 | 0 | 113.3 | E225 | P223-E225 PolarHBondContact O-N 3.49Š| ||
| 224 | P | 32.1 | Very low | 35.9 | Very low | 113 Ų | 113 | 161.6 Ų | 161.6 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -81.5 | 102.4 | -175.9 | 31.9 | -34.8 | 0 | 0 | 0 | 113.8 | H226 | P224-H226 PolarHBondContact O-ND1 2.95Š| ||
| 225 | E | 34.3 | Very low | 35.9 | Very low | 190 Ų | 190 | 165.6 Ų | 165.6 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -59.4 | 137.5 | 163.2 | -93.1 | -74.8 | 95.5 | 0 | 0 | 111 | P223 | P223-E225 PolarHBondContact O-N 3.49Š| ||
| 226 | H | 36.2 | Very low | 35.9 | Very low | 164 Ų | 164 | 163.2 Ų | 163.2 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -81.5 | 155.2 | -174 | -81.1 | 36.2 | 0 | 0 | 0 | 113.3 | P224 R228 | P224-H226 PolarHBondContact O-ND1 2.95Å; H226-R228 PolarHBondContact O-N 3.45Å; H226-R228 VanDerWaalsContact O-N 3.11Å | ||
| 227 | F | 35.7 | Very low | 35.6 | Very low | 211 Ų | 211 | 163.9 Ų | 163.9 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -52.4 | 116 | 169.7 | -84.6 | -98 | 0 | 0 | 0 | 111.3 | ||||
| 228 | R | 31.2 | Very low | 35.4 | Very low | 240 Ų | 240 | 160.2 Ų | 160.2 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -118.6 | 99 | 171.2 | -149.3 | 173.4 | -163.5 | 170.5 | 5.3 | 110.6 | H226 | H226-R228 PolarHBondContact O-N 3.45Å; H226-R228 VanDerWaalsContact O-N 3.11Å | ||
| 229 | Q | 36.3 | Very low | 35.2 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 141.9 | 173.3 | -62.6 | 174 | -3.4 | 0 | 0 | 110.3 | ||
| 230 | P | 35.9 | Very low | 35.1 | Very low | 122 Ų | 122 | 158.3 Ų | 158.3 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 140.1 | 161.7 | -12.7 | 28.6 | 0 | 0 | 0 | 110.3 | ||
| 231 | P | 37.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 157.9 | -174.6 | 33.3 | -36.4 | 0 | 0 | 0 | 113.8 | ||
| 232 | P | 37.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 167.4 | 172.5 | 36.5 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 233 | R | 35.3 | Very low | 34.3 | Very low | 237 Ų | 237 | 155.4 Ų | 155.4 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | 9.6 | 139.5 | 155.5 | -63.5 | 176.7 | 173.8 | 170.1 | -1.8 | 119.2 | ||||
| 234 | E | 30.2 | Very low | 34.1 | Very low | 195 Ų | 195 | 156.1 Ų | 156.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | -155.1 | -176.3 | 115.1 | -124.4 | 171.6 | -147.8 | 0 | 0 | 115.2 | |||||
| 235 | R | 33.1 | Very low | 34.6 | Very low | 220 Ų | 220 | 155.9 Ų | 155.9 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 139.1 | -166.3 | 158.3 | -158.7 | -85.5 | -165.3 | -6.6 | 108.3 | ||||
| 236 | N | 35.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 179 | 160.2 | 152.9 | -92.2 | -23.7 | 0 | 0 | 0 | 109.4 | ||||
| 237 | M | 34.1 | Very low | 34.2 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -146.7 | -179 | -0.1 | -133.3 | 164.7 | 79.3 | 0 | 0 | 113.1 | ||||
| 238 | V | 35.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | trans | -71.3 | 147.4 | -174 | 168.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 239 | D | 30.5 | Very low | 34 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | -160.9 | 150.1 | 127.8 | -128 | -39.9 | 0 | 0 | 0 | 117.2 | |||||
| 240 | T | 31.4 | Very low | 33.5 | Very low | 120 Ų | 120 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 60.1 | 131.7 | 159 | -57.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 241 | A | 31.1 | Very low | 33.5 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -125.9 | 153.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 242 | P | 42.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | -152.2 | -171.4 | 96.5 | 41 | -23.1 | 0 | 0 | 0 | 115.8 | |||||
| 243 | N | 28.7 | Very low | 33.9 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | 82.4 | 91.1 | 162.1 | -62.2 | -8.1 | 0 | 0 | 0 | 120.7 | ||||
| 244 | T | 31.2 | Very low | 33.6 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 179.2 | 133 | 26.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 245 | P | 43.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -139 | -168.7 | 8.6 | 34.4 | -10.8 | 0 | 0 | 0 | 116.5 | ||||
| 246 | Q | 27 | Very low | 33.9 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | 111.2 | 116 | 144.8 | -79.8 | 179.8 | 18 | 0 | 0 | 120.7 | ||||
| 247 | S | 35.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -101.8 | 140.8 | 162.3 | 159.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 248 | M | 31.8 | Very low | 34.9 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | -172.6 | 154.8 | 164.4 | -88.5 | -115 | 177.4 | 0 | 0 | 108.5 | ||||
| 249 | Q | 29.4 | Very low | 35.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 55% | 0.547 | 76% | 0.764 | S | S | . | * | cis | -173.1 | 163.7 | -28.8 | -141.3 | 177.5 | 55.3 | 0 | 0 | 108.3 | ||||
| 250 | R | 26.6 | Very low | 35.7 | Very low | 201 Ų | 201 | 142.7 Ų | 142.7 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | 74.4 | 114.4 | 159.3 | -60.5 | 157.2 | -167 | -100.5 | -10.5 | 118.7 | ||||
| 251 | T | 35.2 | Very low | 36 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | 55.2 | 139.1 | 71.8 | 69.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 252 | P | 41.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -153 | 159.2 | 43 | 41.6 | -20.4 | 0 | 0 | 0 | 121.6 | ||||
| 253 | K | 42.9 | Very low | 36.9 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | 40.2 | 119.3 | 141.8 | -62.2 | -179.1 | 179.2 | 179.3 | 0 | 123 | ||||
| 254 | S | 29.6 | Very low | 37.8 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | -152.7 | 165.9 | 128.7 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 255 | R | 34.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 70% | 0.698 | 71% | 0.713 | S | S | * | * | trans | -152.1 | 135.4 | -173.3 | -179.8 | -178.8 | -173.3 | -120.1 | 14 | 111.3 | H258 | R255-H258 PolarHBondContact NH2-CD2 2.83Å; R255-H258 PolarHBondContact NH2-NE2 2.88Å | ||
| 256 | P | 35.5 | Very low | 39 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | -132.5 | -169.2 | 121.8 | 44 | -33.8 | 0 | 0 | 0 | 110.4 | |||||
| 257 | P | 45.8 | Very low | 40.2 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | -112.3 | 170.4 | -105.2 | 28 | -7.9 | 0 | 0 | 0 | 114.7 | |||||
| 258 | H | 44.7 | Very low | 41 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 67% | 0.667 | 69% | 0.689 | S | S | * | * | trans | -75.3 | 146.6 | 176.1 | -59.7 | -131.9 | 0 | 0 | 0 | 110.5 | R255 | R255-H258 PolarHBondContact NH2-CD2 2.83Å; R255-H258 PolarHBondContact NH2-NE2 2.88Å | ||
| 259 | R | 37.4 | Very low | 42.4 | Very low | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | trans | -135.7 | 111.4 | 150.6 | -165.6 | 172.5 | -173.2 | 171.7 | 0.4 | 108 | M261 | R259-M261 PolarHBondContact O-N 2.77Š| ||
| 260 | N | 44.3 | Very low | 44.3 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | trans | -67.9 | 117.1 | 170.2 | -63.1 | -6 | 0 | 0 | 0 | 107.2 | ||||
| 261 | M | 37.2 | Very low | 46.1 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | trans | -107.4 | 127 | 155 | -79.9 | -178.1 | 67.9 | 0 | 0 | 106.7 | R259 N265 | R259-M261 PolarHBondContact O-N 2.77Å; M261-N265 HydrophobicContact CE-CB 4.15Å | ||
| 262 | S | 45.8 | Very low | 47.8 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | trans | -73.6 | 152.9 | 178.7 | -155.1 | 0 | 0 | 0 | 0 | 110.1 | D264 N265 | S262-D264 WeakPolarHBondContact CB-OD2 3.4Å; S262-D264 PolarHBondContact O-N 2.69Å; S262-D264 PolarHBondContact OG-OD2 2.8Å; S262-N265 PolarHBondContact O-N 2.79Å; S262-N265 VanDerWaalsContact O-N 3.16Å | ||
| 263 | V | 46.2 | Very low | 49.4 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -26.8 | 176.3 | -101.9 | 0 | 0 | 0 | 0 | 112 | N265 L266 | V263-N265 PolarHBondContact O-N 2.91Å; V263-L266 PolarHBondContact O-N 3.15Å; V263-L266 VanDerWaalsContact O-N 3.17Å |
| 264 | D | 48.2 | Very low | 50.8 | Low | 100 Ų | 100 | 119.8 Ų | 119.8 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -54.2 | -33.2 | 175.9 | -43.7 | -75.1 | 0 | 0 | 0 | 113.1 | S262 L266 E267 F268 | S262-D264 WeakPolarHBondContact CB-OD2 3.4Å; S262-D264 PolarHBondContact O-N 2.69Å; S262-D264 PolarHBondContact OG-OD2 2.8Å; D264-L266 PolarHBondContact O-N 3.41Å; D264-E267 PolarHBondContact O-N 2.93Å; D264-F268 WeakPolarHBondContact O-CB 3.4Å; D264-F268 PolarHBondContact O-N 2.73Å |
| 265 | N | 48 | Very low | 53.1 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 39% | 0.39 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.3 | -35 | -178.3 | -78.2 | 12.1 | 0 | 0 | 0 | 112.4 | M261 S262 V263 E267 F268 D269 | M261-N265 HydrophobicContact CE-CB 4.15Å; S262-N265 PolarHBondContact O-N 2.79Å; S262-N265 VanDerWaalsContact O-N 3.16Å; V263-N265 PolarHBondContact O-N 2.91Å; N265-E267 VanDerWaalsContact C-N 3.31Å; N265-E267 PolarHBondContact O-N 3.39Å; N265-F268 PolarHBondContact O-N 3.36Å; N265-D269 WeakPolarHBondContact O-CB 3.48Å; N265-D269 VanDerWaalsContact O-CG 3.28Å; N265-D269 PolarHBondContact O-N 3.26Å |
| 266 | L | 51.9 | Low | 55.4 | Low | 130 Ų | 130 | 117.9 Ų | 117.9 | 68% | 0.681 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.3 | -32.4 | 177.3 | -74.9 | 166.1 | 0 | 0 | 0 | 111.6 | V263 D264 R270 | V263-L266 PolarHBondContact O-N 3.15Å; V263-L266 VanDerWaalsContact O-N 3.17Å; D264-L266 PolarHBondContact O-N 3.41Å; L266-R270 VanDerWaalsContact O-CB 3.3Å; L266-R270 WeakPolarHBondContact O-CB 3.39Å; L266-R270 PolarHBondContact O-N 3.17Å |
| 267 | E | 53 | Low | 57.5 | Low | 124 Ų | 124 | 119.3 Ų | 119.3 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.9 | -37.1 | 173.8 | -168.1 | 160.7 | -130.2 | 0 | 0 | 111.5 | D264 N265 R270 L271 | D264-E267 PolarHBondContact O-N 2.93Å; N265-E267 VanDerWaalsContact C-N 3.31Å; N265-E267 PolarHBondContact O-N 3.39Å; E267-R270 PolarHBondContact O-N 2.9Å; E267-L271 HydrophobicContact CG-CD1 4.19Å; E267-L271 WeakPolarHBondContact O-CB 3.26Å; E267-L271 VanDerWaalsContact O-CG 3.26Å; E267-L271 WeakPolarHBondContact O-CG 3.48Å; E267-L271 PolarHBondContact O-N 3.49Å |
| 268 | F | 52.3 | Low | 59 | Low | 138 Ų | 138 | 119 Ų | 119 | 61% | 0.605 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 174.6 | -167.4 | -88.3 | 0 | 0 | 0 | 112.8 | D264 N265 R270 L271 T272 | D264-F268 WeakPolarHBondContact O-CB 3.4Å; D264-F268 PolarHBondContact O-N 2.73Å; N265-F268 PolarHBondContact O-N 3.36Å; F268-R270 VanDerWaalsContact C-N 3.34Å; F268-L271 PolarHBondContact O-N 3.39Å; F268-T272 WeakPolarHBondContact O-CB 3.3Å; F268-T272 PolarHBondContact O-N 3.01Å; F268-T272 PolarHBondContact O-OG1 3.08Å |
| 269 | D | 61.2 | Low | 60.7 | Low | 88 Ų | 88 | 116.8 Ų | 116.8 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 174.8 | -72.5 | -20.4 | 0 | 0 | 0 | 110.4 | N265 T272 L273 | N265-D269 WeakPolarHBondContact O-CB 3.48Å; N265-D269 VanDerWaalsContact O-CG 3.28Å; N265-D269 PolarHBondContact O-N 3.26Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-L273 WeakPolarHBondContact O-CG 3.27Å; D269-L273 PolarHBondContact O-N 3.12Å |
| 270 | R | 69 | Low | 63 | Low | 140 Ų | 140 | 113.2 Ų | 113.2 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -46 | 174.6 | -178.8 | -178.9 | 168.1 | -68.3 | -27.7 | 112.1 | L266 E267 F268 T272 L273 E274 | L266-R270 VanDerWaalsContact O-CB 3.3Å; L266-R270 WeakPolarHBondContact O-CB 3.39Å; L266-R270 PolarHBondContact O-N 3.17Å; E267-R270 PolarHBondContact O-N 2.9Å; F268-R270 VanDerWaalsContact C-N 3.34Å; R270-T272 VanDerWaalsContact C-N 3.31Å; R270-T272 PolarHBondContact O-N 3.43Å; R270-L273 PolarHBondContact O-N 3.34Å; R270-E274 IonicContact CZ-OE2 3.53Å; R270-E274 IonicContact NH1-OE2 3.8Å; R270-E274 PolarHBondContact NH1-OE2 2.9Å; R270-E274 IonicContact NH2-OE1 2.7Å; R270-E274 IonicContact NH2-OE2 3.18Å; R270-E274 PolarHBondContact NH2-OE2 3.27Å; R270-E274 VanDerWaalsContact O-CB 3.29Å; R270-E274 WeakPolarHBondContact O-CB 3.45Å; R270-E274 PolarHBondContact O-N 3.04Å |
| 271 | L | 63 | Low | 64.6 | Low | 95 Ų | 95 | 110.1 Ų | 110.1 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -32.6 | 176.6 | -75 | 166.8 | 0 | 0 | 0 | 112.3 | E267 F268 R275 | E267-L271 HydrophobicContact CG-CD1 4.19Å; E267-L271 WeakPolarHBondContact O-CB 3.26Å; E267-L271 VanDerWaalsContact O-CG 3.26Å; E267-L271 WeakPolarHBondContact O-CG 3.48Å; E267-L271 PolarHBondContact O-N 3.49Å; F268-L271 PolarHBondContact O-N 3.39Å; L271-R275 VanDerWaalsContact O-CB 3.23Å; L271-R275 WeakPolarHBondContact O-CB 3.17Å; L271-R275 PolarHBondContact O-N 2.88Å |
| 272 | T | 72.4 | Confident | 66.3 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 32% | 0.319 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -46.1 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | F268 D269 R270 E274 R275 E276 | F268-T272 WeakPolarHBondContact O-CB 3.3Å; F268-T272 PolarHBondContact O-N 3.01Å; F268-T272 PolarHBondContact O-OG1 3.08Å; D269-T272 PolarHBondContact O-N 3.44Å; R270-T272 VanDerWaalsContact C-N 3.31Å; R270-T272 PolarHBondContact O-N 3.43Å; T272-E274 PolarHBondContact O-N 3.05Å; T272-R275 WeakPolarHBondContact O-CB 3.32Å; T272-R275 PolarHBondContact O-N 3.42Å; T272-E276 WeakPolarHBondContact O-CG 3.1Å; T272-E276 PolarHBondContact O-N 3.16Å |
| 273 | L | 74.8 | Confident | 68.2 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -39.4 | 174.2 | -70.7 | 166.7 | 0 | 0 | 0 | 112.6 | D269 R270 R275 E276 R277 | D269-L273 WeakPolarHBondContact O-CG 3.27Å; D269-L273 PolarHBondContact O-N 3.12Å; R270-L273 PolarHBondContact O-N 3.34Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-E276 PolarHBondContact O-N 2.85Å; L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.32Å; L273-R277 PolarHBondContact O-N 3.42Å |
| 274 | E | 72.7 | Confident | 70.1 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 175.3 | -171.3 | 158.7 | -160.5 | 0 | 0 | 111.3 | R270 T272 L278 | R270-E274 IonicContact CZ-OE2 3.53Å; R270-E274 IonicContact NH1-OE2 3.8Å; R270-E274 PolarHBondContact NH1-OE2 2.9Å; R270-E274 IonicContact NH2-OE1 2.7Å; R270-E274 IonicContact NH2-OE2 3.18Å; R270-E274 PolarHBondContact NH2-OE2 3.27Å; R270-E274 VanDerWaalsContact O-CB 3.29Å; R270-E274 WeakPolarHBondContact O-CB 3.45Å; R270-E274 PolarHBondContact O-N 3.04Å; T272-E274 PolarHBondContact O-N 3.05Å; E274-L278 WeakPolarHBondContact O-CG 3.36Å; E274-L278 PolarHBondContact O-N 2.68Å; E274-L278 VanDerWaalsContact O-N 3.15Å |
| 275 | R | 76.4 | Confident | 71.7 | Confident | 157 Ų | 157 | 110.7 Ų | 110.7 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -47.5 | 171.8 | 178 | 179.8 | 171.5 | -159.9 | -14 | 112.8 | L271 T272 L273 R277 L278 E279 | L271-R275 VanDerWaalsContact O-CB 3.23Å; L271-R275 WeakPolarHBondContact O-CB 3.17Å; L271-R275 PolarHBondContact O-N 2.88Å; T272-R275 WeakPolarHBondContact O-CB 3.32Å; T272-R275 PolarHBondContact O-N 3.42Å; L273-R275 VanDerWaalsContact C-N 3.32Å; R275-R277 VanDerWaalsContact C-N 3.3Å; R275-R277 PolarHBondContact O-N 2.99Å; R275-L278 CarbonylContact O-C 3.59Å; R275-L278 PolarHBondContact O-N 3.19Å; R275-L278 VanDerWaalsContact O-N 3.12Å; R275-E279 HydrophobicContact CG-CG 4.43Å; R275-E279 IonicContact CZ-OE1 3.87Å; R275-E279 IonicContact NE-OE1 3.37Å; R275-E279 PolarHBondContact NE-OE1 3.44Å; R275-E279 IonicContact NH2-OE1 2.75Å; R275-E279 PolarHBondContact NH2-OE1 3.47Å; R275-E279 IonicContact NH2-OE2 2.8Å; R275-E279 PolarHBondContact O-N 2.94Å |
| 276 | E | 83 | Confident | 73.6 | Confident | 115 Ų | 115 | 112.5 Ų | 112.5 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 177.3 | -74.9 | -177.2 | 156.6 | 0 | 0 | 111.3 | T272 L273 L278 E279 F280 | T272-E276 WeakPolarHBondContact O-CG 3.1Å; T272-E276 PolarHBondContact O-N 3.16Å; L273-E276 PolarHBondContact O-N 2.85Å; E276-L278 VanDerWaalsContact C-N 3.33Å; E276-L278 PolarHBondContact O-N 3.4Å; E276-E279 PolarHBondContact O-N 3.02Å; E276-F280 WeakPolarHBondContact O-CB 3.31Å; E276-F280 PolarHBondContact O-N 3.43Å |
| 277 | R | 80.4 | Confident | 75.3 | Confident | 151 Ų | 151 | 113.1 Ų | 113.1 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.2 | -45.3 | 172.3 | -172.5 | -165.1 | 168.7 | -65.7 | -10.6 | 111.5 | L273 R275 E281 | L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.32Å; L273-R277 PolarHBondContact O-N 3.42Å; R275-R277 VanDerWaalsContact C-N 3.3Å; R275-R277 PolarHBondContact O-N 2.99Å; R277-E281 IonicContact CZ-OE2 2.85Å; R277-E281 IonicContact NH1-OE2 3.35Å; R277-E281 PolarHBondContact NH1-OE2 3.39Å; R277-E281 IonicContact NH2-OE2 3.86Å; R277-E281 PolarHBondContact NH2-OE2 3.42Å; R277-E281 WeakPolarHBondContact O-CB 3.3Å; R277-E281 PolarHBondContact O-N 2.87Å |
| 278 | L | 77.7 | Confident | 76.4 | Confident | 101 Ų | 101 | 116 Ų | 116 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.2 | -36.5 | 178.1 | -74.3 | 167.9 | 0 | 0 | 0 | 112.9 | E274 R275 E276 K282 | E274-L278 WeakPolarHBondContact O-CG 3.36Å; E274-L278 PolarHBondContact O-N 2.68Å; E274-L278 VanDerWaalsContact O-N 3.15Å; R275-L278 CarbonylContact O-C 3.59Å; R275-L278 PolarHBondContact O-N 3.19Å; R275-L278 VanDerWaalsContact O-N 3.12Å; E276-L278 VanDerWaalsContact C-N 3.33Å; E276-L278 PolarHBondContact O-N 3.4Å; L278-K282 WeakPolarHBondContact O-CB 3.31Å; L278-K282 PolarHBondContact O-N 3.43Å |
| 279 | E | 78.7 | Confident | 77.8 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.5 | -73.2 | -175.8 | -171.1 | 0 | 0 | 111.4 | R275 E276 K282 A283 | R275-E279 HydrophobicContact CG-CG 4.43Å; R275-E279 IonicContact CZ-OE1 3.87Å; R275-E279 IonicContact NE-OE1 3.37Å; R275-E279 PolarHBondContact NE-OE1 3.44Å; R275-E279 IonicContact NH2-OE1 2.75Å; R275-E279 PolarHBondContact NH2-OE1 3.47Å; R275-E279 IonicContact NH2-OE2 2.8Å; R275-E279 PolarHBondContact O-N 2.94Å; E276-E279 PolarHBondContact O-N 3.02Å; E279-K282 PolarHBondContact O-N 3.12Å; E279-A283 WeakPolarHBondContact O-CB 3.38Å; E279-A283 PolarHBondContact O-N 3.05Å |
| 280 | F | 86 | Confident | 79 | Confident | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 171.9 | -177.3 | -96.9 | 0 | 0 | 0 | 112.7 | E276 K282 A283 K284 | E276-F280 WeakPolarHBondContact O-CB 3.31Å; E276-F280 PolarHBondContact O-N 3.43Å; F280-K282 VanDerWaalsContact C-N 3.33Å; F280-K282 PolarHBondContact O-N 2.99Å; F280-A283 PolarHBondContact O-N 3.39Å; F280-K284 PolarHBondContact O-N 3.07Å |
| 281 | E | 78.7 | Confident | 79.9 | Confident | 87 Ų | 87 | 113.8 Ų | 113.8 | 41% | 0.407 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.7 | -172.7 | 159.9 | -156.2 | 0 | 0 | 111.4 | R277 K284 I285 | R277-E281 IonicContact CZ-OE2 2.85Å; R277-E281 IonicContact NH1-OE2 3.35Å; R277-E281 PolarHBondContact NH1-OE2 3.39Å; R277-E281 IonicContact NH2-OE2 3.86Å; R277-E281 PolarHBondContact NH2-OE2 3.42Å; R277-E281 WeakPolarHBondContact O-CB 3.3Å; R277-E281 PolarHBondContact O-N 2.87Å; E281-K284 PolarHBondContact O-N 3.22Å; E281-I285 WeakPolarHBondContact O-CG1 3.44Å; E281-I285 PolarHBondContact O-N 3.33Å |
| 282 | K | 73.7 | Confident | 80.8 | Confident | 138 Ų | 138 | 113.8 Ų | 113.8 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.8 | -38.8 | 174 | -174.3 | 179.4 | -179.6 | -176.2 | 0 | 113 | L278 E279 F280 I285 M286 | L278-K282 WeakPolarHBondContact O-CB 3.31Å; L278-K282 PolarHBondContact O-N 3.43Å; E279-K282 PolarHBondContact O-N 3.12Å; F280-K282 VanDerWaalsContact C-N 3.33Å; F280-K282 PolarHBondContact O-N 2.99Å; K282-I285 PolarHBondContact O-N 3.34Å; K282-M286 WeakPolarHBondContact O-CB 3.39Å; K282-M286 PolarHBondContact O-N 3.45Å |
| 283 | A | 85.3 | Confident | 81.4 | Confident | 54 Ų | 54 | 117.1 Ų | 117.1 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E279 F280 I285 M286 E287 | E279-A283 WeakPolarHBondContact O-CB 3.38Å; E279-A283 PolarHBondContact O-N 3.05Å; F280-A283 PolarHBondContact O-N 3.39Å; A283-I285 VanDerWaalsContact C-N 3.32Å; A283-I285 PolarHBondContact O-N 2.91Å; A283-M286 PolarHBondContact O-N 2.94Å; A283-M286 VanDerWaalsContact O-N 3.16Å; A283-E287 WeakPolarHBondContact O-CB 3.37Å; A283-E287 PolarHBondContact O-N 2.94Å |
| 284 | K | 86.2 | Confident | 82 | Confident | 139 Ų | 139 | 117.4 Ų | 117.4 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -34.7 | 176.4 | -167.3 | 174.4 | -175.5 | 176.9 | 0 | 113 | F280 E281 R288 | F280-K284 PolarHBondContact O-N 3.07Å; E281-K284 PolarHBondContact O-N 3.22Å; K284-R288 WeakPolarHBondContact O-CB 3.49Å; K284-R288 PolarHBondContact O-N 2.87Å |
| 285 | I | 81.8 | Confident | 82.4 | Confident | 95 Ų | 95 | 117.7 Ų | 117.7 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 171.4 | -68.9 | 164.6 | 0 | 0 | 0 | 110.7 | E281 K282 A283 E287 R288 E289 | E281-I285 WeakPolarHBondContact O-CG1 3.44Å; E281-I285 PolarHBondContact O-N 3.33Å; K282-I285 PolarHBondContact O-N 3.34Å; A283-I285 VanDerWaalsContact C-N 3.32Å; A283-I285 PolarHBondContact O-N 2.91Å; I285-E287 VanDerWaalsContact C-N 3.35Å; I285-E287 PolarHBondContact O-N 3.06Å; I285-R288 PolarHBondContact O-N 2.79Å; I285-E289 PolarHBondContact O-N 2.68Å |
| 286 | M | 86.9 | Confident | 82.8 | Confident | 112 Ų | 112 | 116.5 Ų | 116.5 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 179.5 | -170.2 | -175.3 | -61 | 0 | 0 | 112.6 | K282 A283 S290 | K282-M286 WeakPolarHBondContact O-CB 3.39Å; K282-M286 PolarHBondContact O-N 3.45Å; A283-M286 PolarHBondContact O-N 2.94Å; A283-M286 VanDerWaalsContact O-N 3.16Å; M286-S290 VanDerWaalsContact O-CB 3.31Å; M286-S290 WeakPolarHBondContact O-CB 3.31Å; M286-S290 PolarHBondContact O-N 3.32Å |
| 287 | E | 88.1 | Confident | 83.1 | Confident | 142 Ų | 142 | 117.4 Ų | 117.4 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 172.1 | -175.8 | -176.6 | -163.1 | 0 | 0 | 111.2 | A283 I285 E289 S290 R291 | A283-E287 WeakPolarHBondContact O-CB 3.37Å; A283-E287 PolarHBondContact O-N 2.94Å; I285-E287 VanDerWaalsContact C-N 3.35Å; I285-E287 PolarHBondContact O-N 3.06Å; E287-E289 PolarHBondContact O-N 2.97Å; E287-S290 WeakPolarHBondContact O-CB 3.49Å; E287-S290 PolarHBondContact O-N 3.32Å; E287-S290 VanDerWaalsContact O-N 3.16Å; E287-R291 PolarHBondContact O-N 2.67Å |
| 288 | R | 76.1 | Confident | 83.4 | Confident | 186 Ų | 186 | 116.8 Ų | 116.8 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 176.6 | -175 | 177.8 | -178.3 | 169 | 1.9 | 112.1 | K284 I285 S290 R291 L292 | K284-R288 WeakPolarHBondContact O-CB 3.49Å; K284-R288 PolarHBondContact O-N 2.87Å; I285-R288 PolarHBondContact O-N 2.79Å; R288-S290 VanDerWaalsContact C-N 3.34Å; R288-R291 PolarHBondContact O-N 2.88Å; R288-L292 HydrophobicContact CG-CD1 4.37Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.15Å |
| 289 | E | 81.3 | Confident | 83.8 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.2 | -71.8 | -170.8 | -178.9 | 0 | 0 | 112.3 | I285 E287 R291 L292 R293 | I285-E289 PolarHBondContact O-N 2.68Å; E287-E289 PolarHBondContact O-N 2.97Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 2.97Å; E289-L292 PolarHBondContact O-N 3.17Å; E289-R293 VanDerWaalsContact CB-NH2 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.38Å; E289-R293 WeakPolarHBondContact O-CG 3.43Å; E289-R293 PolarHBondContact O-N 3.08Å; E289-R293 IonicContact OE2-CZ 2.64Å; E289-R293 VanDerWaalsContact OE2-CZ 3.26Å; E289-R293 IonicContact OE2-NH1 3.63Å; E289-R293 PolarHBondContact OE2-NH1 3.23Å; E289-R293 IonicContact OE2-NH2 2.67Å; E289-R293 PolarHBondContact OE2-NH2 3.5Å |
| 290 | S | 86.9 | Confident | 84.1 | Confident | 51 Ų | 51 | 116.6 Ų | 116.6 | 36% | 0.357 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -44 | 177.5 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | M286 E287 R288 R293 H294 | M286-S290 VanDerWaalsContact O-CB 3.31Å; M286-S290 WeakPolarHBondContact O-CB 3.31Å; M286-S290 PolarHBondContact O-N 3.32Å; E287-S290 WeakPolarHBondContact O-CB 3.49Å; E287-S290 PolarHBondContact O-N 3.32Å; E287-S290 VanDerWaalsContact O-N 3.16Å; R288-S290 VanDerWaalsContact C-N 3.34Å; S290-R293 PolarHBondContact O-N 3.14Å; S290-H294 PolarHBondContact O-N 3.49Å; S290-H294 PolarHBondContact O-ND1 2.73Å |
| 291 | R | 87.3 | Confident | 84.1 | Confident | 179 Ų | 179 | 113.1 Ų | 113.1 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 175.8 | -153.9 | -175.5 | 85.7 | -173.3 | 9.9 | 111.7 | E287 R288 E289 R293 H294 E295 | E287-R291 PolarHBondContact O-N 2.67Å; R288-R291 PolarHBondContact O-N 2.88Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 2.97Å; R291-R293 VanDerWaalsContact C-N 3.35Å; R291-R293 PolarHBondContact O-N 3.21Å; R291-H294 PolarHBondContact O-N 3.2Å; R291-H294 VanDerWaalsContact O-N 3.14Å; R291-E295 WeakPolarHBondContact O-CB 3.39Å; R291-E295 PolarHBondContact O-N 3.21Å |
| 292 | L | 82.3 | Confident | 84.4 | Confident | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 176.1 | -71.7 | 169.1 | 0 | 0 | 0 | 112.3 | R288 E289 H294 E295 E296 | R288-L292 HydrophobicContact CG-CD1 4.37Å; R288-L292 WeakPolarHBondContact O-CG 3.38Å; R288-L292 PolarHBondContact O-N 3.15Å; E289-L292 PolarHBondContact O-N 3.17Å; L292-H294 VanDerWaalsContact C-N 3.33Å; L292-H294 PolarHBondContact O-N 3.3Å; L292-E295 PolarHBondContact O-N 3.36Å; L292-E296 VanDerWaalsContact O-CB 3.22Å; L292-E296 WeakPolarHBondContact O-CB 3.29Å; L292-E296 PolarHBondContact O-N 3.44Å |
| 293 | R | 85.1 | Confident | 84.9 | Confident | 123 Ų | 123 | 114 Ų | 114 | 46% | 0.464 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 175.3 | -76.3 | -174.7 | -77.3 | -100.5 | 0.5 | 113.5 | E289 S290 R291 K297 | E289-R293 VanDerWaalsContact CB-NH2 3.26Å; E289-R293 WeakPolarHBondContact O-CB 3.38Å; E289-R293 WeakPolarHBondContact O-CG 3.43Å; E289-R293 PolarHBondContact O-N 3.08Å; E289-R293 IonicContact OE2-CZ 2.64Å; E289-R293 VanDerWaalsContact OE2-CZ 3.26Å; E289-R293 IonicContact OE2-NH1 3.63Å; E289-R293 PolarHBondContact OE2-NH1 3.23Å; E289-R293 IonicContact OE2-NH2 2.67Å; E289-R293 PolarHBondContact OE2-NH2 3.5Å; S290-R293 PolarHBondContact O-N 3.14Å; R291-R293 VanDerWaalsContact C-N 3.35Å; R291-R293 PolarHBondContact O-N 3.21Å; R293-K297 WeakPolarHBondContact O-CB 3.33Å; R293-K297 PolarHBondContact O-N 3.35Å |
| 294 | H | 88.4 | Confident | 85.1 | Confident | 118 Ų | 118 | 120.1 Ų | 120.1 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.5 | -38.2 | 172.6 | -75.8 | 80.6 | 0 | 0 | 0 | 112 | S290 R291 L292 K297 Q298 | S290-H294 PolarHBondContact O-N 3.49Å; S290-H294 PolarHBondContact O-ND1 2.73Å; R291-H294 PolarHBondContact O-N 3.2Å; R291-H294 VanDerWaalsContact O-N 3.14Å; L292-H294 VanDerWaalsContact C-N 3.33Å; L292-H294 PolarHBondContact O-N 3.3Å; H294-K297 PolarHBondContact O-N 2.77Å; H294-Q298 WeakPolarHBondContact O-CG 3.15Å; H294-Q298 PolarHBondContact O-N 2.94Å |
| 295 | E | 80 | Confident | 85.3 | Confident | 92 Ų | 92 | 122.9 Ų | 122.9 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -47.6 | 177.9 | -165.3 | 164.3 | -172.9 | 0 | 0 | 110.9 | R291 L292 K297 Q298 I299 | R291-E295 WeakPolarHBondContact O-CB 3.39Å; R291-E295 PolarHBondContact O-N 3.21Å; L292-E295 PolarHBondContact O-N 3.36Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 2.88Å; E295-Q298 PolarHBondContact O-N 3.38Å; E295-I299 WeakPolarHBondContact O-CG1 3.44Å; E295-I299 PolarHBondContact O-N 3.07Å |
| 296 | E | 84.1 | Confident | 85.4 | Confident | 131 Ų | 131 | 124 Ų | 124 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55.1 | -44.3 | 170.4 | 179.5 | 177.3 | -144.5 | 0 | 0 | 112.2 | L292 I299 E300 | L292-E296 VanDerWaalsContact O-CB 3.22Å; L292-E296 WeakPolarHBondContact O-CB 3.29Å; L292-E296 PolarHBondContact O-N 3.44Å; E296-I299 PolarHBondContact O-N 3.05Å; E296-E300 PolarHBondContact O-N 3.43Å |
| 297 | K | 90.6 | Very high | 85.3 | Confident | 134 Ų | 134 | 124.1 Ų | 124.1 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 176.6 | -175.9 | 179.4 | 175.4 | -173.3 | 0 | 112.5 | R293 H294 E295 I299 E300 D301 | R293-K297 WeakPolarHBondContact O-CB 3.33Å; R293-K297 PolarHBondContact O-N 3.35Å; H294-K297 PolarHBondContact O-N 2.77Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 2.88Å; K297-I299 VanDerWaalsContact C-N 3.32Å; K297-I299 PolarHBondContact O-N 2.97Å; K297-E300 PolarHBondContact O-N 3.3Å; K297-D301 WeakPolarHBondContact CE-OD2 3.37Å; K297-D301 WeakPolarHBondContact O-CB 3.41Å; K297-D301 PolarHBondContact O-N 3.43Å |
| 298 | Q | 86.8 | Confident | 85.3 | Confident | 139 Ų | 139 | 120 Ų | 120 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 176.1 | -75 | -179.1 | 29.5 | 0 | 0 | 111.2 | H294 E295 E300 D301 E302 | H294-Q298 WeakPolarHBondContact O-CG 3.15Å; H294-Q298 PolarHBondContact O-N 2.94Å; E295-Q298 PolarHBondContact O-N 3.38Å; Q298-E300 PolarHBondContact O-N 2.9Å; Q298-D301 PolarHBondContact O-N 2.65Å; Q298-E302 VanDerWaalsContact O-CB 3.3Å; Q298-E302 WeakPolarHBondContact O-CB 3.24Å; Q298-E302 PolarHBondContact O-N 3.44Å |
| 299 | I | 84.6 | Confident | 85.6 | Confident | 97 Ų | 97 | 116.5 Ų | 116.5 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.2 | -67.3 | 163.5 | 0 | 0 | 0 | 111.1 | E295 E296 K297 K303 | E295-I299 WeakPolarHBondContact O-CG1 3.44Å; E295-I299 PolarHBondContact O-N 3.07Å; E296-I299 PolarHBondContact O-N 3.05Å; K297-I299 VanDerWaalsContact C-N 3.32Å; K297-I299 PolarHBondContact O-N 2.97Å; I299-K303 WeakPolarHBondContact O-CB 3.26Å; I299-K303 PolarHBondContact O-N 2.83Å |
| 300 | E | 86 | Confident | 85.4 | Confident | 97 Ų | 97 | 119 Ų | 119 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 178.6 | -166.4 | 60.5 | -142 | 0 | 0 | 112.6 | E296 K297 Q298 K303 R304 | E296-E300 PolarHBondContact O-N 3.43Å; K297-E300 PolarHBondContact O-N 3.3Å; Q298-E300 PolarHBondContact O-N 2.9Å; E300-K303 IonicContact OE1-NZ 3.98Å; E300-K303 PolarHBondContact OE1-NZ 3.02Å; E300-K303 IonicContact OE2-NZ 2.66Å; E300-K303 PolarHBondContact OE2-NZ 3.12Å; E300-R304 VanDerWaalsContact O-CB 3.25Å; E300-R304 WeakPolarHBondContact O-CB 3.43Å; E300-R304 PolarHBondContact O-N 2.9Å |
| 301 | D | 87 | Confident | 84.9 | Confident | 78 Ų | 78 | 119.7 Ų | 119.7 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 173.8 | -81.4 | -35.8 | 0 | 0 | 0 | 111.7 | K297 Q298 R305 | K297-D301 WeakPolarHBondContact CE-OD2 3.37Å; K297-D301 WeakPolarHBondContact O-CB 3.41Å; K297-D301 PolarHBondContact O-N 3.43Å; Q298-D301 PolarHBondContact O-N 2.65Å; D301-R305 WeakPolarHBondContact O-CG 3.4Å; D301-R305 PolarHBondContact O-N 2.66Å; D301-R305 VanDerWaalsContact O-N 3.11Å |
| 302 | E | 83.6 | Confident | 84.4 | Confident | 128 Ų | 128 | 116.8 Ų | 116.8 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.6 | -48.3 | 173 | -179.2 | 172.3 | -136 | 0 | 0 | 111.9 | Q298 R304 R305 M306 | Q298-E302 VanDerWaalsContact O-CB 3.3Å; Q298-E302 WeakPolarHBondContact O-CB 3.24Å; Q298-E302 PolarHBondContact O-N 3.44Å; E302-R304 PolarHBondContact O-N 2.88Å; E302-R305 WeakPolarHBondContact O-CA 3.09Å; E302-R305 WeakPolarHBondContact O-CB 3.24Å; E302-R305 PolarHBondContact O-N 3.32Å; E302-M306 PolarHBondContact O-N 3.38Å |
| 303 | K | 84.6 | Confident | 83.8 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -55.2 | -36.6 | 172.8 | 171 | 168.2 | 162.3 | -98.1 | 0 | 112 | I299 E300 H307 | I299-K303 WeakPolarHBondContact O-CB 3.26Å; I299-K303 PolarHBondContact O-N 2.83Å; E300-K303 IonicContact OE1-NZ 3.98Å; E300-K303 PolarHBondContact OE1-NZ 3.02Å; E300-K303 IonicContact OE2-NZ 2.66Å; E300-K303 PolarHBondContact OE2-NZ 3.12Å; K303-H307 WeakPolarHBondContact O-CB 3.37Å; K303-H307 PolarHBondContact O-N 2.96Å |
| 304 | R | 90.3 | Very high | 83 | Confident | 183 Ų | 183 | 114.4 Ų | 114.4 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.5 | -34.6 | 174.8 | -165.2 | 175.6 | -171 | -174.3 | 3.9 | 112.9 | E300 E302 A308 | E300-R304 VanDerWaalsContact O-CB 3.25Å; E300-R304 WeakPolarHBondContact O-CB 3.43Å; E300-R304 PolarHBondContact O-N 2.9Å; E302-R304 PolarHBondContact O-N 2.88Å; R304-A308 PolarHBondContact O-N 3.22Å; R304-A308 VanDerWaalsContact O-N 3.12Å |
| 305 | R | 89.3 | Confident | 82 | Confident | 196 Ų | 196 | 115.4 Ų | 115.4 | 74% | 0.74 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.3 | -50.3 | 169.6 | -70.5 | 175.5 | 178 | -153.1 | -0.2 | 111.4 | D301 E302 H307 A308 E309 | D301-R305 WeakPolarHBondContact O-CG 3.4Å; D301-R305 PolarHBondContact O-N 2.66Å; D301-R305 VanDerWaalsContact O-N 3.11Å; E302-R305 WeakPolarHBondContact O-CA 3.09Å; E302-R305 WeakPolarHBondContact O-CB 3.24Å; E302-R305 PolarHBondContact O-N 3.32Å; R305-H307 PolarHBondContact O-N 3.14Å; R305-A308 PolarHBondContact O-N 3.24Å; R305-E309 PolarHBondContact O-N 3.48Å |
| 306 | M | 84 | Confident | 81.2 | Confident | 118 Ų | 118 | 118 Ų | 118 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.2 | -37.9 | 177.4 | -71 | -63.4 | -63.3 | 0 | 0 | 112.3 | E302 K310 | E302-M306 PolarHBondContact O-N 3.38Å; M306-K310 WeakPolarHBondContact O-CB 3.48Å; M306-K310 PolarHBondContact O-N 3.39Å |
| 307 | H | 84.3 | Confident | 79.8 | Confident | 115 Ų | 115 | 117.2 Ų | 117.2 | 53% | 0.532 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.3 | -43.9 | 174.4 | -169 | -9.4 | 0 | 0 | 0 | 112.2 | K303 R305 E309 K310 D311 | K303-H307 WeakPolarHBondContact O-CB 3.37Å; K303-H307 PolarHBondContact O-N 2.96Å; R305-H307 PolarHBondContact O-N 3.14Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-E309 PolarHBondContact O-N 2.94Å; H307-K310 PolarHBondContact O-N 3.41Å; H307-D311 IonicContact CE1-OD1 2.79Å; H307-D311 PolarHBondContact CE1-OD1 2.71Å; H307-D311 VanDerWaalsContact CE1-OD1 3.23Å; H307-D311 IonicContact CE1-OD2 3.23Å; H307-D311 IonicContact ND1-OD1 2.68Å; H307-D311 PolarHBondContact ND1-OD1 3.39Å; H307-D311 VanDerWaalsContact ND1-OD1 3.11Å; H307-D311 IonicContact ND1-OD2 3.11Å; H307-D311 PolarHBondContact O-N 3.45Å |
| 308 | A | 87.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 116.1 Ų | 116.1 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -35 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R304 R305 D311 L312 | R304-A308 PolarHBondContact O-N 3.22Å; R304-A308 VanDerWaalsContact O-N 3.12Å; R305-A308 PolarHBondContact O-N 3.24Å; A308-D311 PolarHBondContact O-N 3.05Å; A308-L312 PolarHBondContact O-N 3.07Å; A308-L312 VanDerWaalsContact O-N 3.11Å |
| 309 | E | 82.6 | Confident | 75.8 | Confident | 113 Ų | 113 | 117 Ų | 117 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -45.7 | 172.9 | -175.1 | 176.2 | 166.6 | 0 | 0 | 111.4 | R305 H307 D311 L312 I313 | R305-E309 PolarHBondContact O-N 3.48Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-E309 PolarHBondContact O-N 2.94Å; E309-D311 VanDerWaalsContact C-N 3.29Å; E309-D311 PolarHBondContact O-N 3.42Å; E309-L312 WeakPolarHBondContact O-CA 3.34Å; E309-L312 VanDerWaalsContact O-CB 3.27Å; E309-L312 WeakPolarHBondContact O-CB 3.14Å; E309-L312 PolarHBondContact O-N 2.81Å; E309-I313 HydrophobicContact CG-CD1 4.13Å; E309-I313 WeakPolarHBondContact O-CG1 3.43Å; E309-I313 PolarHBondContact O-N 3.26Å |
| 310 | K | 77.4 | Confident | 73.9 | Confident | 141 Ų | 141 | 118.4 Ų | 118.4 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60 | -37.7 | 174.4 | -174.3 | 173.7 | -178.4 | 174.9 | 0 | 112.8 | M306 H307 L312 T314 | M306-K310 WeakPolarHBondContact O-CB 3.48Å; M306-K310 PolarHBondContact O-N 3.39Å; H307-K310 PolarHBondContact O-N 3.41Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.45Å; K310-T314 WeakPolarHBondContact O-CB 3.33Å; K310-T314 PolarHBondContact O-N 2.67Å; K310-T314 PolarHBondContact O-OG1 3.35Å |
| 311 | D | 75.8 | Confident | 71.7 | Confident | 67 Ų | 67 | 120.2 Ų | 120.2 | 36% | 0.358 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -27.7 | 174 | -77.2 | 14.9 | 0 | 0 | 0 | 112.6 | H307 A308 E309 K315 | H307-D311 IonicContact CE1-OD1 2.79Å; H307-D311 PolarHBondContact CE1-OD1 2.71Å; H307-D311 VanDerWaalsContact CE1-OD1 3.23Å; H307-D311 IonicContact CE1-OD2 3.23Å; H307-D311 IonicContact ND1-OD1 2.68Å; H307-D311 PolarHBondContact ND1-OD1 3.39Å; H307-D311 VanDerWaalsContact ND1-OD1 3.11Å; H307-D311 IonicContact ND1-OD2 3.11Å; H307-D311 PolarHBondContact O-N 3.45Å; A308-D311 PolarHBondContact O-N 3.05Å; E309-D311 VanDerWaalsContact C-N 3.29Å; E309-D311 PolarHBondContact O-N 3.42Å; D311-K315 VanDerWaalsContact O-CD 3.26Å; D311-K315 WeakPolarHBondContact O-CD 3.46Å; D311-K315 WeakPolarHBondContact O-CE 3.37Å; D311-K315 VanDerWaalsContact O-CG 3.29Å; D311-K315 WeakPolarHBondContact O-CG 3.49Å; D311-K315 PolarHBondContact O-N 3.05Å |
| 312 | L | 77.5 | Confident | 69.7 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.6 | -51.3 | 173.6 | -133.8 | 75.3 | 0 | 0 | 0 | 110.7 | A308 E309 K310 T314 K315 E316 | A308-L312 PolarHBondContact O-N 3.07Å; A308-L312 VanDerWaalsContact O-N 3.11Å; E309-L312 WeakPolarHBondContact O-CA 3.34Å; E309-L312 VanDerWaalsContact O-CB 3.27Å; E309-L312 WeakPolarHBondContact O-CB 3.14Å; E309-L312 PolarHBondContact O-N 2.81Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.45Å; L312-T314 PolarHBondContact O-N 3.01Å; L312-K315 WeakPolarHBondContact O-CB 3.22Å; L312-K315 PolarHBondContact O-N 3.41Å; L312-E316 PolarHBondContact O-N 2.87Å |
| 313 | I | 70.3 | Confident | 67.9 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -58.2 | -38.7 | 178.5 | -66.3 | 165.2 | 0 | 0 | 0 | 110.9 | E309 K315 E316 T317 | E309-I313 HydrophobicContact CG-CD1 4.13Å; E309-I313 WeakPolarHBondContact O-CG1 3.43Å; E309-I313 PolarHBondContact O-N 3.26Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 3.04Å; I313-E316 PolarHBondContact O-N 3.49Å; I313-T317 WeakPolarHBondContact O-CB 3.46Å; I313-T317 PolarHBondContact O-N 3.42Å; I313-T317 PolarHBondContact O-OG1 3.4Å |
| 314 | T | 68.6 | Low | 66.1 | Low | 80 Ų | 80 | 122.2 Ų | 122.2 | 49% | 0.491 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.4 | -35.2 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | K310 L312 T318 | K310-T314 WeakPolarHBondContact O-CB 3.33Å; K310-T314 PolarHBondContact O-N 2.67Å; K310-T314 PolarHBondContact O-OG1 3.35Å; L312-T314 PolarHBondContact O-N 3.01Å; T314-T318 PolarHBondContact O-OG1 2.95Å |
| 315 | K | 67.8 | Low | 63.4 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 61% | 0.609 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.9 | -41.2 | 174.8 | -70.5 | 162.3 | -169.3 | 156.1 | 0 | 111.7 | D311 L312 I313 T317 T318 | D311-K315 VanDerWaalsContact O-CD 3.26Å; D311-K315 WeakPolarHBondContact O-CD 3.46Å; D311-K315 WeakPolarHBondContact O-CE 3.37Å; D311-K315 VanDerWaalsContact O-CG 3.29Å; D311-K315 WeakPolarHBondContact O-CG 3.49Å; D311-K315 PolarHBondContact O-N 3.05Å; L312-K315 WeakPolarHBondContact O-CB 3.22Å; L312-K315 PolarHBondContact O-N 3.41Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 3.04Å; K315-T317 VanDerWaalsContact C-N 3.31Å; K315-T317 PolarHBondContact O-N 3.02Å; K315-T318 PolarHBondContact O-N 3.02Å |
| 316 | E | 61.8 | Low | 60.8 | Low | 147 Ų | 147 | 113.4 Ų | 113.4 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.5 | -34.1 | 178.3 | -169 | 164.6 | -152.8 | 0 | 0 | 112.5 | L312 I313 T318 | L312-E316 PolarHBondContact O-N 2.87Å; I313-E316 PolarHBondContact O-N 3.49Å; E316-T318 PolarHBondContact O-N 2.89Å; E316-T318 VanDerWaalsContact O-N 3.12Å |
| 317 | T | 54.8 | Low | 58.4 | Low | 113 Ų | 113 | 114.4 Ų | 114.4 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -11.3 | 172.1 | -54 | 0 | 0 | 0 | 0 | 113.1 | I313 K315 | I313-T317 WeakPolarHBondContact O-CB 3.46Å; I313-T317 PolarHBondContact O-N 3.42Å; I313-T317 PolarHBondContact O-OG1 3.4Å; K315-T317 VanDerWaalsContact C-N 3.31Å; K315-T317 PolarHBondContact O-N 3.02Å |
| 318 | T | 49.8 | Very low | 55.9 | Low | 111 Ų | 111 | 114.6 Ų | 114.6 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | trans | -110 | 58.2 | -174.7 | -46.1 | 0 | 0 | 0 | 0 | 112.2 | T314 K315 E316 | T314-T318 PolarHBondContact O-OG1 2.95Å; K315-T318 PolarHBondContact O-N 3.02Å; E316-T318 PolarHBondContact O-N 2.89Å; E316-T318 VanDerWaalsContact O-N 3.12Å | ||
| 319 | Q | 43.6 | Very low | 53.1 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -118 | 133.6 | 165.8 | -70.8 | -163.2 | 50.8 | 0 | 0 | 111.9 | ||||
| 320 | P | 45.2 | Very low | 50.7 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.6 | -179.7 | 32.4 | -33.4 | 0 | 0 | 0 | 112.6 | ||
| 321 | V | 39.8 | Very low | 48.4 | Very low | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 133.4 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 322 | P | 45.8 | Very low | 47.2 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 157.1 | 177.1 | 31.1 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 323 | P | 45.6 | Very low | 44.9 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 160.6 | -172.7 | 31.8 | -36.8 | 0 | 0 | 0 | 114.4 | ||
| 324 | P | 46.3 | Very low | 43.1 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 148.7 | -169.7 | 33.1 | -36.5 | 0 | 0 | 0 | 115.1 | ||
| 325 | A | 33.2 | Very low | 41.2 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -120.3 | 166.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 326 | A | 35 | Very low | 39.3 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -126.6 | 170.8 | -154.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 327 | V | 32.9 | Very low | 37.8 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 85 | 148.3 | 159.4 | -150 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 328 | V | 31.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 95.2 | 86.4 | 161.5 | -162.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 329 | T | 30.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | 14.8 | 128.9 | 126.5 | -27.1 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 330 | H | 30.8 | Very low | 36.4 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | 161.3 | 160 | 118.9 | -84.3 | -69 | 0 | 0 | 0 | 112.9 | |||||
| 331 | Q | 28.6 | Very low | 35.7 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -115.4 | -169.6 | 176.3 | -43.5 | -177 | -5.3 | 0 | 0 | 110.3 | ||||
| 332 | P | 51.4 | Low | 35.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -133.7 | -142.2 | -11 | 29.3 | -3.2 | 0 | 0 | 0 | 112.2 | ||||
| 333 | I | 29.7 | Very low | 34.4 | Very low | 148 Ų | 148 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 83.3 | 131.1 | 160.7 | -69.5 | 166.1 | 0 | 0 | 0 | 115.8 | ||||
| 334 | T | 31.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -148.3 | 156.5 | 2.9 | -0.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 335 | K | 29.7 | Very low | 33.2 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -35.3 | 150 | 161.3 | -51.6 | 166.6 | 179.6 | 178.2 | 0 | 118.3 | ||||
| 336 | R | 28.8 | Very low | 33.2 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | -162.7 | 109.4 | 122 | -95.5 | 172.7 | -156.7 | -130.9 | 5.3 | 108 | |||||
| 337 | Y | 28.4 | Very low | 33.1 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | 85.4 | 109.8 | 80.1 | -119.2 | -77.1 | 0 | 0 | 0 | 114.7 | |||||
| 338 | D | 34.9 | Very low | 33.2 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -75.7 | -178.3 | 174.6 | -40.3 | -97.2 | 0 | 0 | 0 | 111.9 | ||||
| 339 | P | 41.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -150.7 | -159.2 | 79.9 | 50.2 | -30.1 | 0 | 0 | 0 | 112.7 | |||||
| 340 | P | 44.3 | Very low | 32.9 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | -134.1 | -174.2 | -121.1 | 30.8 | -4 | 0 | 0 | 0 | 116 | |||||
| 341 | I | 30.4 | Very low | 33 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | 167.9 | 122.5 | 120.8 | -84.7 | 159.6 | 0 | 0 | 0 | 113.5 | |||||
| 342 | S | 27.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 23.9 | 123.9 | 146.6 | -161.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 343 | I | 30.3 | Very low | 32.3 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -133.6 | 147.6 | 133.7 | -63 | -174.1 | 0 | 0 | 0 | 108.6 | ||||
| 344 | S | 30.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 158.3 | -170.4 | -50.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 345 | P | 35.3 | Very low | 33 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 147.9 | 176.5 | 34.1 | -35.3 | 0 | 0 | 0 | 114 | ||
| 346 | P | 33 | Very low | 33.6 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 166 | 167.6 | 34.1 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 347 | P | 32.8 | Very low | 34.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 162.8 | -167.2 | 31.9 | -37 | 0 | 0 | 0 | 115.5 | ||
| 348 | Q | 35.8 | Very low | 35.5 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54 | 139.7 | 174.6 | -63.5 | -70.2 | -9.1 | 0 | 0 | 112.5 | ||
| 349 | R | 28.6 | Very low | 36.4 | Very low | 240 Ų | 240 | 129.3 Ų | 129.3 | 91% | 0.906 | 70% | 0.702 | S | S | * | * | trans | -119.2 | 139.3 | 168.6 | -158.4 | 178.2 | -168.4 | -149.8 | 2.1 | 109.3 | ||||
| 350 | N | 28.4 | Very low | 37.1 | Very low | 129 Ų | 129 | 130 Ų | 130 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | trans | -49.8 | 144.4 | -165.5 | -64.1 | -0.2 | 0 | 0 | 0 | 115.5 | Y352 | N350-Y352 HydrophobicContact CB-CE2 4.45Å; N350-Y352 PolarHBondContact O-N 3.13Å | ||
| 351 | N | 32.2 | Very low | 37.3 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | -52.2 | 122.5 | 162.5 | -71.3 | -7.5 | 0 | 0 | 0 | 110.5 | ||||
| 352 | Y | 30.3 | Very low | 38.6 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -111.7 | 143.8 | 156 | -81.1 | -87.6 | 0 | 0 | 0 | 108.8 | N350 H354 | N350-Y352 HydrophobicContact CB-CE2 4.45Å; N350-Y352 PolarHBondContact O-N 3.13Å; Y352-H354 PolarHBondContact O-N 3.01Å | ||
| 353 | S | 34 | Very low | 40.5 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -66.9 | 119 | -177.4 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | V355 | S353-V355 PolarHBondContact O-N 3.1Š| ||
| 354 | H | 37.1 | Very low | 42.8 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 75% | 0.75 | 66% | 0.66 | S | S | * | * | trans | -75.8 | 89.3 | -176.9 | -158.5 | -17 | 0 | 0 | 0 | 111.1 | Y352 K356 | Y352-H354 PolarHBondContact O-N 3.01Å; H354-K356 PolarHBondContact O-N 2.91Å | ||
| 355 | V | 40 | Very low | 44.9 | Very low | 48 Ų | 48 | 122.7 Ų | 122.7 | 29% | 0.291 | 66% | 0.663 | S | S | . | * | trans | -62.1 | 129.1 | 163 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | S353 V357 V375 | S353-V355 PolarHBondContact O-N 3.1Å; V355-V357 PolarHBondContact O-N 3.43Å; V355-V375 HydrophobicContact CB-CG1 4.05Å; V355-V375 HydrophobicContact CG2-CG1 4.48Å | ||
| 356 | K | 42 | Very low | 46.7 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | trans | -90 | 99.8 | 173.1 | -81.5 | -168.6 | 172.4 | -173.2 | 0 | 109.7 | H354 | H354-K356 PolarHBondContact O-N 2.91Š| ||
| 357 | V | 47.1 | Very low | 48.9 | Very low | 25 Ų | 25 | 121.2 Ų | 121.2 | 15% | 0.152 | 63% | 0.628 | C | S | . | * | trans | -76.5 | 128.1 | 158.8 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | V355 V359 V375 V434 F436 | V355-V357 PolarHBondContact O-N 3.43Å; V357-V359 VanDerWaalsContact C-N 3.31Å; V357-V359 HydrophobicContact CB-CG2 4.04Å; V357-V359 HydrophobicContact CG1-CG2 3.88Å; V357-V359 PolarHBondContact O-N 2.95Å; V357-V375 HydrophobicContact CG2-CG2 3.76Å; V357-V434 HydrophobicContact CG1-CG1 3.56Å; V357-F436 HydrophobicContact CG2-CD1 4.21Å; V357-F436 HydrophobicContact CG2-CE1 4.29Å | ||
| 358 | T | 50.1 | Low | 51.2 | Low | 140 Ų | 140 | 118 Ų | 118 | 86% | 0.859 | 60% | 0.602 | S | S | * | * | trans | -77.1 | 86.4 | 167.7 | 47.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 359 | V | 53.5 | Low | 53.3 | Low | 29 Ų | 29 | 111.6 Ų | 111.6 | 18% | 0.176 | 58% | 0.583 | C | S | . | * | trans | -87.1 | 145.1 | 170.3 | -151.6 | 0 | 0 | 0 | 0 | 108.8 | V357 T363 I371 Y403 | V357-V359 VanDerWaalsContact C-N 3.31Å; V357-V359 HydrophobicContact CB-CG2 4.04Å; V357-V359 HydrophobicContact CG1-CG2 3.88Å; V357-V359 PolarHBondContact O-N 2.95Å; V359-T363 HydrophobicContact CG1-CG2 4.18Å; V359-T363 VanDerWaalsContact CG1-OG1 3.29Å; V359-T363 WeakPolarHBondContact CG1-OG1 3.45Å; V359-I371 HydrophobicContact CG1-CD1 3.75Å; V359-I371 HydrophobicContact CG2-CD1 4.25Å; V359-Y403 HydrophobicContact CG1-CE2 3.64Å; V359-Y403 VanDerWaalsContact CG1-OH 3.31Å; V359-Y403 WeakPolarHBondContact CG1-OH 3.25Å | ||
| 360 | D | 54.7 | Low | 56 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | trans | -66.4 | 137.3 | 173.2 | -76.1 | -45 | 0 | 0 | 0 | 110.9 | D362 T363 | D360-D362 PolarHBondContact O-N 3.44Å; D360-T363 PolarHBondContact O-N 3.02Å; D360-T363 PolarHBondContact O-OG1 3.26Å | ||
| 361 | S | 49.5 | Very low | 58.7 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 87% | 0.867 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15 | -163.6 | -54.1 | 0 | 0 | 0 | 0 | 116.6 | T363 | S361-T363 VanDerWaalsContact C-N 3.32Š|
| 362 | D | 57.4 | Low | 61.1 | Low | 166 Ų | 166 | 90.3 Ų | 90.3 | 89% | 0.888 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 9.6 | -178.7 | -64.9 | -35.7 | 0 | 0 | 0 | 113.2 | D360 S364 | D360-D362 PolarHBondContact O-N 3.44Å; D362-S364 PolarHBondContact O-N 3.35Å |
| 363 | T | 67.4 | Low | 63.7 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 19% | 0.19 | 47% | 0.465 | C | S | . | . | trans | -66.2 | 129.2 | -179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | V359 D360 S361 Q367 I371 Y403 | V359-T363 HydrophobicContact CG1-CG2 4.18Å; V359-T363 VanDerWaalsContact CG1-OG1 3.29Å; V359-T363 WeakPolarHBondContact CG1-OG1 3.45Å; D360-T363 PolarHBondContact O-N 3.02Å; D360-T363 PolarHBondContact O-OG1 3.26Å; S361-T363 VanDerWaalsContact C-N 3.32Å; T363-Q367 HydrophobicContact CG2-CB 3.89Å; T363-Q367 HydrophobicContact CG2-CG 3.81Å; T363-I371 HydrophobicContact CG2-CD1 4.13Å; T363-Y403 HydrophobicContact CG2-CE2 4.49Å | ||
| 364 | S | 78.4 | Confident | 66.1 | Low | 47 Ų | 47 | 78.8 Ų | 78.8 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | trans | -65.4 | 147.6 | -176 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | D362 R366 Q367 Q368 | D362-S364 PolarHBondContact O-N 3.35Å; S364-R366 PolarHBondContact O-N 3.24Å; S364-Q367 WeakPolarHBondContact O-CA 3.35Å; S364-Q367 WeakPolarHBondContact O-CB 3.36Å; S364-Q367 PolarHBondContact O-N 2.95Å; S364-Q367 VanDerWaalsContact OG-CB 3.28Å; S364-Q367 WeakPolarHBondContact OG-CB 3.35Å; S364-Q367 PolarHBondContact OG-N 3.25Å; S364-Q367 PolarHBondContact OG-OE1 2.79Å; S364-Q368 PolarHBondContact O-N 3.38Å | ||
| 365 | P | 75.4 | Confident | 68.2 | Low | 116 Ų | 116 | 72.7 Ų | 72.7 | 75% | 0.753 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57.2 | -29.5 | -177.9 | -28.3 | 35.5 | 0 | 0 | 0 | 114.8 | A369 | P365-A369 WeakPolarHBondContact O-CB 3.31Å; P365-A369 PolarHBondContact O-N 3.04Å; P365-A369 VanDerWaalsContact O-N 3.1Å |
| 366 | R | 73.7 | Confident | 70.1 | Confident | 174 Ų | 174 | 74 Ų | 74 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.8 | -36.3 | 175.6 | -169.9 | -179.3 | -167.9 | 170.4 | 6.3 | 112.3 | S364 F370 | S364-R366 PolarHBondContact O-N 3.24Å; R366-F370 PolarHBondContact O-N 3.41Å |
| 367 | Q | 78 | Confident | 72 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 14% | 0.14 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.6 | -34.5 | 179.2 | -171.8 | 173.2 | -3 | 0 | 0 | 110.8 | T363 S364 F370 I371 G401 Y403 M419 | T363-Q367 HydrophobicContact CG2-CB 3.89Å; T363-Q367 HydrophobicContact CG2-CG 3.81Å; S364-Q367 WeakPolarHBondContact O-CA 3.35Å; S364-Q367 WeakPolarHBondContact O-CB 3.36Å; S364-Q367 PolarHBondContact O-N 2.95Å; S364-Q367 VanDerWaalsContact OG-CB 3.28Å; S364-Q367 WeakPolarHBondContact OG-CB 3.35Å; S364-Q367 PolarHBondContact OG-N 3.25Å; S364-Q367 PolarHBondContact OG-OE1 2.79Å; Q367-F370 WeakPolarHBondContact O-CB 3.24Å; Q367-F370 PolarHBondContact O-N 2.83Å; Q367-I371 WeakPolarHBondContact O-CG1 3.26Å; Q367-I371 PolarHBondContact O-N 3.45Å; Q367-G401 PolarHBondContact NE2-O 2.82Å; Q367-Y403 HydrophobicContact CG-CD2 4.1Å; Q367-M419 HydrophobicContact CB-SD 4.42Å |
| 368 | Q | 81.1 | Confident | 73.7 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 168.8 | -171.5 | 60 | 49.7 | 0 | 0 | 111.6 | S364 F370 I371 D372 | S364-Q368 PolarHBondContact O-N 3.38Å; Q368-F370 PolarHBondContact O-N 3.4Å; Q368-F370 VanDerWaalsContact O-N 3.15Å; Q368-I371 WeakPolarHBondContact O-CB 3.42Å; Q368-I371 PolarHBondContact O-N 2.57Å; Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 PolarHBondContact O-N 2.95Å |
| 369 | A | 81.3 | Confident | 75.2 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 49% | 0.488 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -26.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P365 D373 | P365-A369 WeakPolarHBondContact O-CB 3.31Å; P365-A369 PolarHBondContact O-N 3.04Å; P365-A369 VanDerWaalsContact O-N 3.1Å; A369-D373 WeakPolarHBondContact O-CB 3.29Å; A369-D373 PolarHBondContact O-N 3.12Å |
| 370 | F | 84.6 | Confident | 76.9 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 5% | 0.053 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -75.9 | -40.7 | 172.9 | 178.4 | -113.3 | 0 | 0 | 0 | 112.4 | R366 Q367 Q368 D373 I374 Y403 E405 N418 M419 | R366-F370 PolarHBondContact O-N 3.41Å; Q367-F370 WeakPolarHBondContact O-CB 3.24Å; Q367-F370 PolarHBondContact O-N 2.83Å; Q368-F370 PolarHBondContact O-N 3.4Å; Q368-F370 VanDerWaalsContact O-N 3.15Å; F370-D373 PolarHBondContact O-N 3.21Å; F370-I374 HydrophobicContact CD1-CD1 3.96Å; F370-I374 HydrophobicContact CD2-CD1 4.43Å; F370-I374 HydrophobicContact CE1-CD1 3.59Å; F370-I374 HydrophobicContact CE2-CD1 4.09Å; F370-I374 HydrophobicContact CG-CD1 4.38Å; F370-I374 HydrophobicContact CZ-CD1 3.67Å; F370-I374 WeakPolarHBondContact O-CG1 3.39Å; F370-I374 PolarHBondContact O-N 3.36Å; F370-Y403 WeakPolarHBondContact CE1-O 3.3Å; F370-E405 HydrophobicContact CZ-CB 4.5Å; F370-N418 WeakPolarHBondContact CZ-O 3.46Å; F370-M419 HydrophobicContact CB-CB 4.1Å; F370-M419 HydrophobicContact CD1-CB 3.81Å; F370-M419 HydrophobicContact CD2-CB 4.2Å; F370-M419 HydrophobicContact CE1-CB 4.26Å; F370-M419 HydrophobicContact CG-CB 3.77Å |
| 371 | I | 85.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 171.1 | -67.9 | 159.2 | 0 | 0 | 0 | 110.1 | V359 T363 Q367 Q368 D373 I374 V375 L381 Y403 | V359-I371 HydrophobicContact CG1-CD1 3.75Å; V359-I371 HydrophobicContact CG2-CD1 4.25Å; T363-I371 HydrophobicContact CG2-CD1 4.13Å; Q367-I371 WeakPolarHBondContact O-CG1 3.26Å; Q367-I371 PolarHBondContact O-N 3.45Å; Q368-I371 WeakPolarHBondContact O-CB 3.42Å; Q368-I371 PolarHBondContact O-N 2.57Å; I371-D373 VanDerWaalsContact C-N 3.29Å; I371-D373 PolarHBondContact O-N 2.93Å; I371-I374 PolarHBondContact O-N 3.03Å; I371-V375 HydrophobicContact CG2-CG2 4.08Å; I371-V375 WeakPolarHBondContact O-CB 2.95Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.34Å; I371-V375 PolarHBondContact O-N 3.33Å; I371-L381 HydrophobicContact CG1-CD1 4.43Å; I371-L381 HydrophobicContact CG1-CD2 4.41Å; I371-L381 HydrophobicContact CG2-CD2 3.9Å; I371-Y403 HydrophobicContact CD1-CD1 4.45Å; I371-Y403 HydrophobicContact CD1-CD2 3.61Å; I371-Y403 HydrophobicContact CD1-CE2 3.89Å; I371-Y403 HydrophobicContact CD1-CG 3.95Å; I371-Y403 HydrophobicContact CG1-CD2 4.18Å; I371-Y403 HydrophobicContact CG1-CG 4.04Å |
| 372 | D | 82.4 | Confident | 80.7 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | -176.9 | -61.2 | -23.9 | 0 | 0 | 0 | 112 | Q368 A376 | Q368-D372 PolarHBondContact NE2-OD1 3.32Å; Q368-D372 PolarHBondContact O-N 2.95Å; D372-A376 VanDerWaalsContact O-CB 3.24Å; D372-A376 WeakPolarHBondContact O-CB 3.39Å; D372-A376 PolarHBondContact O-N 3.06Å |
| 373 | D | 84.4 | Confident | 82.4 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.4 | 179 | 62.8 | 0 | 0 | 0 | 112.5 | A369 F370 I371 K377 | A369-D373 WeakPolarHBondContact O-CB 3.29Å; A369-D373 PolarHBondContact O-N 3.12Å; F370-D373 PolarHBondContact O-N 3.21Å; I371-D373 VanDerWaalsContact C-N 3.29Å; I371-D373 PolarHBondContact O-N 2.93Å; D373-K377 WeakPolarHBondContact O-CD 3.46Å; D373-K377 VanDerWaalsContact O-CG 3.28Å; D373-K377 WeakPolarHBondContact O-CG 3.5Å; D373-K377 PolarHBondContact O-N 2.91Å; D373-K377 WeakPolarHBondContact OD1-CE 3.43Å; D373-K377 IonicContact OD1-NZ 3.86Å; D373-K377 PolarHBondContact OD1-NZ 3.1Å; D373-K377 IonicContact OD2-NZ 2.91Å; D373-K377 PolarHBondContact OD2-NZ 3Å |
| 374 | I | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 174.2 | -63.8 | 162.6 | 0 | 0 | 0 | 110.5 | F370 I371 A376 K377 G378 G379 L381 E405 | F370-I374 HydrophobicContact CD1-CD1 3.96Å; F370-I374 HydrophobicContact CD2-CD1 4.43Å; F370-I374 HydrophobicContact CE1-CD1 3.59Å; F370-I374 HydrophobicContact CE2-CD1 4.09Å; F370-I374 HydrophobicContact CG-CD1 4.38Å; F370-I374 HydrophobicContact CZ-CD1 3.67Å; F370-I374 WeakPolarHBondContact O-CG1 3.39Å; F370-I374 PolarHBondContact O-N 3.36Å; I371-I374 PolarHBondContact O-N 3.03Å; I374-A376 PolarHBondContact O-N 3.38Å; I374-K377 CarbonylContact O-C 3.6Å; I374-K377 PolarHBondContact O-N 3.42Å; I374-G378 PolarHBondContact O-N 3.48Å; I374-G379 WeakPolarHBondContact CG2-O 3.48Å; I374-G379 PolarHBondContact O-N 2.82Å; I374-L381 HydrophobicContact CD1-CD1 3.67Å; I374-L381 HydrophobicContact CG2-CB 4.3Å; I374-L381 HydrophobicContact CG2-CD1 4.36Å; I374-E405 HydrophobicContact CD1-CB 3.74Å; I374-E405 HydrophobicContact CG1-CB 4.03Å; I374-E405 HydrophobicContact CG1-CG 4.36Å |
| 375 | V | 82.2 | Confident | 84.1 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V355 V357 I371 K377 G378 F436 | V355-V375 HydrophobicContact CB-CG1 4.05Å; V355-V375 HydrophobicContact CG2-CG1 4.48Å; V357-V375 HydrophobicContact CG2-CG2 3.76Å; I371-V375 HydrophobicContact CG2-CG2 4.08Å; I371-V375 WeakPolarHBondContact O-CB 2.95Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.34Å; I371-V375 PolarHBondContact O-N 3.33Å; V375-K377 PolarHBondContact O-N 3.34Å; V375-G378 PolarHBondContact O-N 3.29Å; V375-G378 VanDerWaalsContact O-N 3.07Å; V375-F436 HydrophobicContact CG2-CE1 3.81Å |
| 376 | A | 79.4 | Confident | 84.7 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.6 | -26.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D372 I374 | D372-A376 VanDerWaalsContact O-CB 3.24Å; D372-A376 WeakPolarHBondContact O-CB 3.39Å; D372-A376 PolarHBondContact O-N 3.06Å; I374-A376 PolarHBondContact O-N 3.38Å |
| 377 | K | 82.1 | Confident | 85.4 | Confident | 129 Ų | 129 | 49.4 Ų | 49.4 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -87.6 | -10 | 174.3 | -69.8 | 165.9 | -175 | 167.8 | 0 | 113.8 | D373 I374 V375 G379 | D373-K377 WeakPolarHBondContact O-CD 3.46Å; D373-K377 VanDerWaalsContact O-CG 3.28Å; D373-K377 WeakPolarHBondContact O-CG 3.5Å; D373-K377 PolarHBondContact O-N 2.91Å; D373-K377 WeakPolarHBondContact OD1-CE 3.43Å; D373-K377 IonicContact OD1-NZ 3.86Å; D373-K377 PolarHBondContact OD1-NZ 3.1Å; D373-K377 IonicContact OD2-NZ 2.91Å; D373-K377 PolarHBondContact OD2-NZ 3Å; I374-K377 CarbonylContact O-C 3.6Å; I374-K377 PolarHBondContact O-N 3.42Å; V375-K377 PolarHBondContact O-N 3.34Å; K377-G379 VanDerWaalsContact C-N 3.26Å; K377-G379 PolarHBondContact O-N 2.86Å |
| 378 | G | 82.1 | Confident | 85.7 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 21.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | I374 V375 | I374-G378 PolarHBondContact O-N 3.48Å; V375-G378 PolarHBondContact O-N 3.29Å; V375-G378 VanDerWaalsContact O-N 3.07Å |
| 379 | G | 81.9 | Confident | 86 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | trans | -71.4 | 154.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | I374 K377 L381 F436 | I374-G379 WeakPolarHBondContact CG2-O 3.48Å; I374-G379 PolarHBondContact O-N 2.82Å; K377-G379 VanDerWaalsContact C-N 3.26Å; K377-G379 PolarHBondContact O-N 2.86Å; G379-L381 PolarHBondContact O-N 3.5Å; G379-F436 WeakPolarHBondContact O-CE2 3.28Å; G379-F436 WeakPolarHBondContact O-CZ 3.48Å | ||
| 380 | K | 88.8 | Confident | 86.2 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.4 | 175.6 | -69.5 | 180 | -175.3 | -176.9 | 0 | 109.8 | E405 V406 D409 M433 | K380-E405 CarbonylContact O-C 3.54Å; K380-E405 WeakPolarHBondContact O-CA 3.38Å; K380-V406 HydrophobicContact CB-CB 3.87Å; K380-V406 PolarHBondContact O-N 3.47Å; K380-D409 IonicContact NZ-OD1 3.87Å; K380-D409 PolarHBondContact NZ-OD1 3.24Å; K380-D409 IonicContact NZ-OD2 2.79Å; K380-D409 PolarHBondContact NZ-OD2 2.86Å; K380-M433 HydrophobicContact CB-CE 4.08Å; K380-M433 HydrophobicContact CG-CE 4.39Å |
| 381 | L | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.4 | 178 | -174.5 | 70.7 | 0 | 0 | 0 | 111 | I371 I374 G379 Y403 V434 F436 | I371-L381 HydrophobicContact CG1-CD1 4.43Å; I371-L381 HydrophobicContact CG1-CD2 4.41Å; I371-L381 HydrophobicContact CG2-CD2 3.9Å; I374-L381 HydrophobicContact CD1-CD1 3.67Å; I374-L381 HydrophobicContact CG2-CB 4.3Å; I374-L381 HydrophobicContact CG2-CD1 4.36Å; G379-L381 PolarHBondContact O-N 3.5Å; L381-Y403 HydrophobicContact CD1-CD1 4.28Å; L381-Y403 HydrophobicContact CD2-CD1 4.34Å; L381-Y403 HydrophobicContact CG-CD1 4.26Å; L381-V434 HydrophobicContact CB-CB 4.25Å; L381-V434 HydrophobicContact CD2-CB 3.99Å; L381-V434 HydrophobicContact CD2-CG1 4.07Å; L381-V434 HydrophobicContact CD2-CG2 4.07Å; L381-V434 HydrophobicContact CG-CB 4.13Å; L381-V434 HydrophobicContact CG-CG2 4.01Å; L381-V434 PolarHBondContact O-N 3.14Å; L381-F436 HydrophobicContact CB-CE1 4.11Å; L381-F436 HydrophobicContact CB-CZ 3.59Å; L381-F436 HydrophobicContact CD2-CE1 4.39Å |
| 382 | A | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y403 L404 V406 L431 S432 M433 | A382-Y403 WeakPolarHBondContact O-CA 3.31Å; A382-L404 PolarHBondContact N-O 3.22Å; A382-L404 PolarHBondContact O-N 3.15Å; A382-V406 HydrophobicContact CB-CG2 3.6Å; A382-L431 HydrophobicContact CB-CB 4.35Å; A382-S432 CarbonylContact C-O 3.58Å; A382-S432 VanDerWaalsContact CA-O 3.28Å; A382-S432 WeakPolarHBondContact CA-O 3.35Å; A382-M433 HydrophobicContact CB-SD 4.26Å |
| 383 | V | 92.8 | Very high | 85.1 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.3 | 171.5 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | Y403 S432 V434 | V383-Y403 HydrophobicContact CB-CD1 3.78Å; V383-Y403 HydrophobicContact CB-CE1 3.53Å; V383-Y403 HydrophobicContact CG2-CD1 4.03Å; V383-Y403 HydrophobicContact CG2-CE1 3.71Å; V383-Y403 HydrophobicContact CG2-CE2 4.37Å; V383-Y403 HydrophobicContact CG2-CG 4.49Å; V383-S432 PolarHBondContact N-O 3.29Å; V383-S432 PolarHBondContact O-N 3.22Å; V383-V434 HydrophobicContact CB-CG2 4.43Å |
| 384 | V | 92.8 | Very high | 85 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.5 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | Y386 V398 H399 K400 G401 E402 L404 I430 L431 | V384-Y386 WeakPolarHBondContact CG1-O 3.22Å; V384-V398 HydrophobicContact CG1-CB 4.05Å; V384-V398 HydrophobicContact CG1-CG2 3.85Å; V384-V398 HydrophobicContact CG2-CB 3.96Å; V384-V398 HydrophobicContact CG2-CG1 4.34Å; V384-V398 HydrophobicContact CG2-CG2 4.34Å; V384-H399 VanDerWaalsContact CB-O 3.3Å; V384-H399 WeakPolarHBondContact CB-O 3.37Å; V384-H399 VanDerWaalsContact CG1-O 3.27Å; V384-H399 WeakPolarHBondContact CG1-O 3.43Å; V384-K400 WeakPolarHBondContact O-CA 3.46Å; V384-G401 PolarHBondContact O-N 3.37Å; V384-E402 HydrophobicContact CB-CB 4.47Å; V384-E402 HydrophobicContact CG2-CB 4.29Å; V384-E402 WeakPolarHBondContact CG2-O 3.39Å; V384-E402 PolarHBondContact N-O 2.93Å; V384-L404 HydrophobicContact CG2-CD1 3.6Å; V384-L404 HydrophobicContact CG2-CG 3.92Å; V384-I430 WeakPolarHBondContact CA-O 3.48Å; V384-L431 HydrophobicContact CG2-CD2 3.83Å |
| 385 | T | 88.9 | Confident | 85.2 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | trans | -93.7 | -17.6 | -175 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | K400 I430 | T385-K400 WeakPolarHBondContact O-CD 3.48Å; T385-K400 WeakPolarHBondContact O-CE 3.19Å; T385-K400 WeakPolarHBondContact O-CG 3.3Å; T385-I430 PolarHBondContact N-O 2.86Å; T385-I430 VanDerWaalsContact OG1-C 3.28Å; T385-I430 WeakPolarHBondContact OG1-CA 3.44Å; T385-I430 PolarHBondContact OG1-O 3.1Å; T385-I430 VanDerWaalsContact OG1-O 3.13Å | ||
| 386 | Y | 88.5 | Confident | 85.6 | Confident | 155 Ų | 155 | 66.3 Ų | 66.3 | 61% | 0.608 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -146 | 145.1 | -179.7 | -61 | -79.8 | 0 | 0 | 0 | 111.9 | V384 I430 | V384-Y386 WeakPolarHBondContact CG1-O 3.22Å; Y386-I430 HydrophobicContact CD2-CB 4.31Å; Y386-I430 HydrophobicContact CD2-CG2 4.05Å |
| 387 | D | 88.1 | Confident | 86.1 | Confident | 113 Ų | 113 | 66.2 Ų | 66.2 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | trans | -64.6 | 136.2 | 174.5 | -53.6 | -50.9 | 0 | 0 | 0 | 111.6 | H399 K400 | D387-H399 WeakPolarHBondContact OD1-CA 3.43Å; D387-K400 PolarHBondContact OD1-N 3.49Å | ||
| 388 | R | 85.8 | Confident | 86.5 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -151.2 | 116.2 | 174.5 | -169.6 | 172 | 179 | -73.5 | -11.4 | 112.1 | E395 T397 V398 I430 | R388-E395 IonicContact CZ-OE2 2.69Å; R388-E395 IonicContact NH1-OE2 3.75Å; R388-E395 PolarHBondContact NH1-OE2 3.31Å; R388-E395 IonicContact NH2-OE1 3.67Å; R388-E395 IonicContact NH2-OE2 2.68Å; R388-E395 PolarHBondContact NH2-OE2 2.86Å; R388-T397 WeakPolarHBondContact O-CA 3.5Å; R388-V398 HydrophobicContact CB-CG2 4.07Å; R388-V398 PolarHBondContact N-O 3.33Å; R388-V398 PolarHBondContact O-N 3.41Å; R388-I430 HydrophobicContact CB-CD1 3.58Å; R388-I430 HydrophobicContact CG-CD1 4.26Å |
| 389 | G | 86.6 | Confident | 86.9 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | trans | -69.8 | 134.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q391 | G389-Q391 PolarHBondContact O-N 3.04Š| ||
| 390 | G | 85.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | trans | -65.8 | 128.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T397 | G390-T397 PolarHBondContact N-OG1 3.22Š| ||
| 391 | Q | 73.6 | Confident | 86.9 | Confident | 152 Ų | 152 | 66.1 Ų | 66.1 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -89.2 | -6.9 | -172.2 | -59.9 | -179 | -15.5 | 0 | 0 | 113.5 | G389 E395 | G389-Q391 PolarHBondContact O-N 3.04Å; Q391-E395 WeakPolarHBondContact CB-OE2 3.36Å; Q391-E395 PolarHBondContact N-OE2 3.01Å |
| 392 | N | 76.8 | Confident | 86.9 | Confident | 81 Ų | 81 | 67 Ų | 67 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -157.6 | 173.9 | 174.6 | 59.7 | 75.6 | 0 | 0 | 0 | 109.8 | K394 E395 | N392-K394 PolarHBondContact O-N 3.05Å; N392-K394 WeakPolarHBondContact OD1-CA 3.5Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 3.41Å; N392-E395 PolarHBondContact ND2-OE1 3.36Å; N392-E395 PolarHBondContact O-N 3.36Å; N392-E395 PolarHBondContact OD1-N 2.91Å |
| 393 | T | 78.3 | Confident | 86.9 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 91% | 0.914 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -8.1 | -176.9 | 49.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 394 | K | 83.1 | Confident | 87 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -4.6 | 175.2 | -53.3 | -167.7 | 176.9 | -164.7 | 0 | 113.3 | N392 Y425 | N392-K394 PolarHBondContact O-N 3.05Å; N392-K394 WeakPolarHBondContact OD1-CA 3.5Å; N392-K394 WeakPolarHBondContact OD1-CB 3.33Å; N392-K394 PolarHBondContact OD1-N 3.41Å; K394-Y425 HydrophobicContact CB-CD2 4.11Å; K394-Y425 HydrophobicContact CB-CE2 4.49Å; K394-Y425 WeakPolarHBondContact O-CD2 3.47Å; K394-Y425 PolarHBondContact O-N 3.4Å |
| 395 | E | 89.1 | Confident | 87 | Confident | 29 Ų | 29 | 68.1 Ų | 68.1 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 135.1 | 178 | -69 | -177.6 | -150.8 | 0 | 0 | 111.2 | R388 Q391 N392 W413 Y425 | R388-E395 IonicContact CZ-OE2 2.69Å; R388-E395 IonicContact NH1-OE2 3.75Å; R388-E395 PolarHBondContact NH1-OE2 3.31Å; R388-E395 IonicContact NH2-OE1 3.67Å; R388-E395 IonicContact NH2-OE2 2.68Å; R388-E395 PolarHBondContact NH2-OE2 2.86Å; Q391-E395 WeakPolarHBondContact CB-OE2 3.36Å; Q391-E395 PolarHBondContact N-OE2 3.01Å; N392-E395 PolarHBondContact ND2-OE1 3.36Å; N392-E395 PolarHBondContact O-N 3.36Å; N392-E395 PolarHBondContact OD1-N 2.91Å; E395-W413 VanDerWaalsContact CD-CH2 3.49Å; E395-W413 VanDerWaalsContact CD-CZ3 3.43Å; E395-W413 HydrophobicContact CG-CH2 4.2Å; E395-W413 HydrophobicContact CG-CZ3 3.66Å; E395-W413 WeakPolarHBondContact OE1-CH2 3.4Å; E395-Y425 WeakPolarHBondContact CA-O 3.36Å |
| 396 | L | 89.1 | Confident | 87.2 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 127.9 | 177.6 | -163 | 64.3 | 0 | 0 | 0 | 109.7 | V398 L404 N418 R422 Y425 V426 | L396-V398 HydrophobicContact CB-CG1 4.16Å; L396-V398 HydrophobicContact CD2-CG1 3.95Å; L396-V398 HydrophobicContact CG-CG1 3.92Å; L396-L404 HydrophobicContact CD2-CD2 4.04Å; L396-N418 HydrophobicContact CD2-CB 4.21Å; L396-R422 HydrophobicContact CD1-CB 3.99Å; L396-Y425 PolarHBondContact N-O 3.06Å; L396-Y425 VanDerWaalsContact N-O 3.16Å; L396-V426 HydrophobicContact CB-CG2 3.73Å; L396-V426 HydrophobicContact CD2-CG2 4.21Å |
| 397 | T | 90.9 | Very high | 87.4 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 124.2 | 164.6 | -68.8 | 0 | 0 | 0 | 0 | 108.6 | R388 G390 | R388-T397 WeakPolarHBondContact O-CA 3.5Å; G390-T397 PolarHBondContact N-OG1 3.22Å |
| 398 | V | 91.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -134.7 | 148.3 | -173.9 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | V384 R388 L396 E402 L404 V426 I430 | V384-V398 HydrophobicContact CG1-CB 4.05Å; V384-V398 HydrophobicContact CG1-CG2 3.85Å; V384-V398 HydrophobicContact CG2-CB 3.96Å; V384-V398 HydrophobicContact CG2-CG1 4.34Å; V384-V398 HydrophobicContact CG2-CG2 4.34Å; R388-V398 HydrophobicContact CB-CG2 4.07Å; R388-V398 PolarHBondContact N-O 3.33Å; R388-V398 PolarHBondContact O-N 3.41Å; L396-V398 HydrophobicContact CB-CG1 4.16Å; L396-V398 HydrophobicContact CD2-CG1 3.95Å; L396-V398 HydrophobicContact CG-CG1 3.92Å; V398-E402 WeakPolarHBondContact CA-OE2 3.19Å; V398-L404 HydrophobicContact CG1-CD1 4.01Å; V398-L404 HydrophobicContact CG1-CD2 4.41Å; V398-V426 HydrophobicContact CG1-CG2 3.94Å; V398-V426 HydrophobicContact CG2-CG1 4.26Å; V398-I430 HydrophobicContact CG2-CD1 3.89Å |
| 399 | H | 89 | Confident | 87.6 | Confident | 109 Ų | 109 | 63 Ų | 63 | 51% | 0.505 | 34% | 0.339 | S | S | . | . | trans | -117.6 | 150.7 | 178.2 | -56.9 | 82.7 | 0 | 0 | 0 | 111.4 | V384 D387 G401 E402 | V384-H399 VanDerWaalsContact CB-O 3.3Å; V384-H399 WeakPolarHBondContact CB-O 3.37Å; V384-H399 VanDerWaalsContact CG1-O 3.27Å; V384-H399 WeakPolarHBondContact CG1-O 3.43Å; D387-H399 WeakPolarHBondContact OD1-CA 3.43Å; H399-G401 PolarHBondContact O-N 2.87Å; H399-E402 PolarHBondContact N-OE2 3.35Å; H399-E402 IonicContact ND1-OE2 3.95Å; H399-E402 WeakPolarHBondContact O-CB 3.35Å; H399-E402 PolarHBondContact O-N 2.9Å | ||
| 400 | K | 88.1 | Confident | 87.1 | Confident | 147 Ų | 147 | 68.8 Ų | 68.8 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.2 | 177.5 | -179.1 | 179.3 | -179 | -166.2 | 0 | 110.7 | V384 T385 D387 E402 | V384-K400 WeakPolarHBondContact O-CA 3.46Å; T385-K400 WeakPolarHBondContact O-CD 3.48Å; T385-K400 WeakPolarHBondContact O-CE 3.19Å; T385-K400 WeakPolarHBondContact O-CG 3.3Å; D387-K400 PolarHBondContact OD1-N 3.49Å; K400-E402 VanDerWaalsContact C-N 3.34Å |
| 401 | G | 84.1 | Confident | 87 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -2.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q367 V384 H399 | Q367-G401 PolarHBondContact NE2-O 2.82Å; V384-G401 PolarHBondContact O-N 3.37Å; H399-G401 PolarHBondContact O-N 2.87Å |
| 402 | E | 90.7 | Very high | 87.6 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | trans | -68.6 | 135.4 | 168 | -167.4 | 169.9 | 179.3 | 0 | 0 | 109.5 | V384 V398 H399 K400 L404 N418 | V384-E402 HydrophobicContact CB-CB 4.47Å; V384-E402 HydrophobicContact CG2-CB 4.29Å; V384-E402 WeakPolarHBondContact CG2-O 3.39Å; V384-E402 PolarHBondContact N-O 2.93Å; V398-E402 WeakPolarHBondContact CA-OE2 3.19Å; H399-E402 PolarHBondContact N-OE2 3.35Å; H399-E402 IonicContact ND1-OE2 3.95Å; H399-E402 WeakPolarHBondContact O-CB 3.35Å; H399-E402 PolarHBondContact O-N 2.9Å; K400-E402 VanDerWaalsContact C-N 3.34Å; E402-L404 HydrophobicContact CG-CD2 4.31Å; E402-N418 VanDerWaalsContact OE1-CB 3.31Å; E402-N418 WeakPolarHBondContact OE1-CB 3.41Å; E402-N418 PolarHBondContact OE1-ND2 2.95Å | ||
| 403 | Y | 91.9 | Very high | 88.3 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 7% | 0.071 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 141.4 | 173.8 | -74 | -81.4 | 0 | 0 | 0 | 110 | V359 T363 Q367 F370 I371 L381 A382 V383 V434 | V359-Y403 HydrophobicContact CG1-CE2 3.64Å; V359-Y403 VanDerWaalsContact CG1-OH 3.31Å; V359-Y403 WeakPolarHBondContact CG1-OH 3.25Å; T363-Y403 HydrophobicContact CG2-CE2 4.49Å; Q367-Y403 HydrophobicContact CG-CD2 4.1Å; F370-Y403 WeakPolarHBondContact CE1-O 3.3Å; I371-Y403 HydrophobicContact CD1-CD1 4.45Å; I371-Y403 HydrophobicContact CD1-CD2 3.61Å; I371-Y403 HydrophobicContact CD1-CE2 3.89Å; I371-Y403 HydrophobicContact CD1-CG 3.95Å; I371-Y403 HydrophobicContact CG1-CD2 4.18Å; I371-Y403 HydrophobicContact CG1-CG 4.04Å; L381-Y403 HydrophobicContact CD1-CD1 4.28Å; L381-Y403 HydrophobicContact CD2-CD1 4.34Å; L381-Y403 HydrophobicContact CG-CD1 4.26Å; A382-Y403 WeakPolarHBondContact O-CA 3.31Å; V383-Y403 HydrophobicContact CB-CD1 3.78Å; V383-Y403 HydrophobicContact CB-CE1 3.53Å; V383-Y403 HydrophobicContact CG2-CD1 4.03Å; V383-Y403 HydrophobicContact CG2-CE1 3.71Å; V383-Y403 HydrophobicContact CG2-CE2 4.37Å; V383-Y403 HydrophobicContact CG2-CG 4.49Å; Y403-V434 HydrophobicContact CD1-CG2 4.25Å; Y403-V434 HydrophobicContact CE1-CG2 3.91Å |
| 404 | L | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.4 | -177.5 | -55.2 | 177.7 | 0 | 0 | 0 | 111.1 | A382 V384 L396 V398 E402 C416 K417 N418 V426 L431 | A382-L404 PolarHBondContact N-O 3.22Å; A382-L404 PolarHBondContact O-N 3.15Å; V384-L404 HydrophobicContact CG2-CD1 3.6Å; V384-L404 HydrophobicContact CG2-CG 3.92Å; L396-L404 HydrophobicContact CD2-CD2 4.04Å; V398-L404 HydrophobicContact CG1-CD1 4.01Å; V398-L404 HydrophobicContact CG1-CD2 4.41Å; E402-L404 HydrophobicContact CG-CD2 4.31Å; L404-C416 HydrophobicContact CB-CB 4.21Å; L404-C416 HydrophobicContact CD1-CB 3.85Å; L404-K417 CarbonylContact C-O 3.53Å; L404-K417 WeakPolarHBondContact CA-O 3.35Å; L404-N418 HydrophobicContact CD2-CB 3.42Å; L404-N418 VanDerWaalsContact CD2-CB 3.42Å; L404-V426 HydrophobicContact CD1-CG2 4.18Å; L404-L431 HydrophobicContact CD1-CD2 3.83Å |
| 405 | E | 93.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.4 | 161.9 | -179.5 | 175.1 | -136.4 | 0 | 0 | 108.5 | F370 I374 K380 C416 K417 | F370-E405 HydrophobicContact CZ-CB 4.5Å; I374-E405 HydrophobicContact CD1-CB 3.74Å; I374-E405 HydrophobicContact CG1-CB 4.03Å; I374-E405 HydrophobicContact CG1-CG 4.36Å; K380-E405 CarbonylContact O-C 3.54Å; K380-E405 WeakPolarHBondContact O-CA 3.38Å; E405-C416 CarbonylContact O-C 3.6Å; E405-C416 VanDerWaalsContact O-CA 3.25Å; E405-C416 WeakPolarHBondContact O-CA 3.38Å; E405-K417 HydrophobicContact CB-CB 4.27Å; E405-K417 PolarHBondContact N-O 2.84Å; E405-K417 PolarHBondContact O-N 2.74Å; E405-K417 VanDerWaalsContact OE2-CD 3.24Å; E405-K417 WeakPolarHBondContact OE2-CD 3.43Å; E405-K417 IonicContact OE2-NZ 3.19Å |
| 406 | V | 93.5 | Very high | 89.9 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.7 | 176.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | K380 A382 D409 W414 M433 | K380-V406 HydrophobicContact CB-CB 3.87Å; K380-V406 PolarHBondContact O-N 3.47Å; A382-V406 HydrophobicContact CB-CG2 3.6Å; V406-D409 HydrophobicContact CG1-CB 4.03Å; V406-W414 HydrophobicContact CG1-CB 4.37Å; V406-W414 HydrophobicContact CG1-CD2 4.25Å; V406-W414 HydrophobicContact CG1-CE3 3.82Å; V406-W414 HydrophobicContact CG1-CZ3 4.47Å; V406-W414 HydrophobicContact CG2-CE3 4.05Å; V406-W414 HydrophobicContact CG2-CZ3 4.38Å; V406-M433 HydrophobicContact CG2-SD 4.32Å |
| 407 | I | 92.3 | Very high | 90 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 33% | 0.333 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -48 | -178.2 | -51.2 | 179.6 | 0 | 0 | 0 | 110.1 | E415 K417 V423 | I407-E415 PolarHBondContact N-O 3.1Å; I407-K417 HydrophobicContact CD1-CB 4.16Å; I407-V423 HydrophobicContact CD1-CG1 4.02Å; I407-V423 HydrophobicContact CD1-CG2 3.96Å |
| 408 | F | 88.8 | Confident | 90 | Very high | 120 Ų | 120 | 62.6 Ų | 62.6 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 127.5 | 179.6 | -64.7 | -70 | 0 | 0 | 0 | 112.2 | W414 E415 | F408-W414 CarbonylContact O-C 3.37Å; F408-W414 VanDerWaalsContact O-CA 3.24Å; F408-W414 WeakPolarHBondContact O-CA 3.37Å; F408-W414 WeakPolarHBondContact O-CB 3.33Å; F408-E415 HydrophobicContact CB-CB 4.03Å; F408-E415 HydrophobicContact CD2-CB 4.13Å; F408-E415 PolarHBondContact N-O 3.08Å; F408-E415 PolarHBondContact O-N 3.03Å |
| 409 | D | 88.6 | Confident | 89.8 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | trans | -118 | 5 | -174 | 52.2 | -28.2 | 0 | 0 | 0 | 115.3 | K380 V406 R411 W414 | K380-D409 IonicContact NZ-OD1 3.87Å; K380-D409 PolarHBondContact NZ-OD1 3.24Å; K380-D409 IonicContact NZ-OD2 2.79Å; K380-D409 PolarHBondContact NZ-OD2 2.86Å; V406-D409 HydrophobicContact CG1-CB 4.03Å; D409-R411 PolarHBondContact O-N 3.41Å; D409-W414 VanDerWaalsContact CA-CD1 3.45Å; D409-W414 HydrophobicContact CB-CD2 3.86Å; D409-W414 HydrophobicContact CB-CE3 4.45Å; D409-W414 HydrophobicContact CB-CG 4.11Å; D409-W414 HydrophobicContact CB-CZ2 3.99Å; D409-W414 PolarHBondContact O-NE1 3.12Å | ||
| 410 | E | 76.3 | Confident | 89.5 | Confident | 167 Ų | 167 | 64.1 Ų | 64.1 | 78% | 0.78 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -65.7 | -3.8 | -175.3 | -57.7 | -171.6 | 154.4 | 0 | 0 | 116.3 | ||
| 411 | R | 83.6 | Confident | 89.4 | Confident | 181 Ų | 181 | 62 Ų | 62 | 68% | 0.683 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -136.5 | 166 | -167.7 | -63.1 | -179.8 | -175.8 | 171.1 | 3.5 | 111.5 | D409 W413 W414 | D409-R411 PolarHBondContact O-N 3.41Å; R411-W413 PolarHBondContact O-N 3.22Å; R411-W414 PolarHBondContact O-NE1 2.89Å |
| 412 | N | 87.3 | Confident | 89.5 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -60.2 | -17.9 | 173.8 | -75.1 | -48.5 | 0 | 0 | 0 | 113.9 | H428 | N412-H428 PolarHBondContact O-N 2.88Å; N412-H428 VanDerWaalsContact O-N 3.1Å; N412-H428 PolarHBondContact O-ND1 3.19Å; N412-H428 PolarHBondContact OD1-CE1 3.39Å |
| 413 | W | 91.2 | Very high | 89.6 | Confident | 101 Ų | 101 | 71 Ų | 71 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.4 | 172 | -66 | 73.2 | 0 | 0 | 0 | 107.7 | E395 R411 V426 P427 | E395-W413 VanDerWaalsContact CD-CH2 3.49Å; E395-W413 VanDerWaalsContact CD-CZ3 3.43Å; E395-W413 HydrophobicContact CG-CH2 4.2Å; E395-W413 HydrophobicContact CG-CZ3 3.66Å; E395-W413 WeakPolarHBondContact OE1-CH2 3.4Å; R411-W413 PolarHBondContact O-N 3.22Å; W413-V426 CarbonylContact C-O 3.6Å; W413-V426 WeakPolarHBondContact CA-O 3.45Å; W413-P427 HydrophobicContact CD2-CB 4.32Å; W413-P427 HydrophobicContact CE3-CB 4.37Å; W413-P427 HydrophobicContact CZ3-CG 4.5Å |
| 414 | W | 94.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.8 | 179.6 | -67.2 | -3.6 | 0 | 0 | 0 | 110 | V406 F408 D409 R411 Y425 V426 H428 L431 M433 | V406-W414 HydrophobicContact CG1-CB 4.37Å; V406-W414 HydrophobicContact CG1-CD2 4.25Å; V406-W414 HydrophobicContact CG1-CE3 3.82Å; V406-W414 HydrophobicContact CG1-CZ3 4.47Å; V406-W414 HydrophobicContact CG2-CE3 4.05Å; V406-W414 HydrophobicContact CG2-CZ3 4.38Å; F408-W414 CarbonylContact O-C 3.37Å; F408-W414 VanDerWaalsContact O-CA 3.24Å; F408-W414 WeakPolarHBondContact O-CA 3.37Å; F408-W414 WeakPolarHBondContact O-CB 3.33Å; D409-W414 VanDerWaalsContact CA-CD1 3.45Å; D409-W414 HydrophobicContact CB-CD2 3.86Å; D409-W414 HydrophobicContact CB-CE3 4.45Å; D409-W414 HydrophobicContact CB-CG 4.11Å; D409-W414 HydrophobicContact CB-CZ2 3.99Å; D409-W414 PolarHBondContact O-NE1 3.12Å; R411-W414 PolarHBondContact O-NE1 2.89Å; W414-Y425 CarbonylContact O-C 3.52Å; W414-Y425 VanDerWaalsContact O-CA 3.3Å; W414-Y425 WeakPolarHBondContact O-CA 3.4Å; W414-V426 PolarHBondContact N-O 3.01Å; W414-V426 PolarHBondContact O-N 3.02Å; W414-H428 HydrophobicContact CD2-CB 3.85Å; W414-H428 HydrophobicContact CG-CB 4.14Å; W414-H428 HydrophobicContact CZ2-CB 3.9Å; W414-L431 HydrophobicContact CB-CD1 4.26Å; W414-L431 HydrophobicContact CD2-CD1 4.23Å; W414-L431 HydrophobicContact CE3-CB 4.36Å; W414-L431 HydrophobicContact CE3-CD1 3.56Å; W414-L431 HydrophobicContact CZ3-CB 4.32Å; W414-L431 HydrophobicContact CZ3-CD1 4.31Å; W414-M433 HydrophobicContact CH2-CG 3.94Å; W414-M433 HydrophobicContact CH2-SD 4.09Å; W414-M433 HydrophobicContact CZ3-CG 4.01Å; W414-M433 HydrophobicContact CZ3-SD 3.7Å |
| 415 | E | 93.9 | Very high | 89.5 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 112.7 | 172.2 | -158 | 162.1 | 142.3 | 0 | 0 | 108.2 | I407 F408 V423 Y425 | I407-E415 PolarHBondContact N-O 3.1Å; F408-E415 HydrophobicContact CB-CB 4.03Å; F408-E415 HydrophobicContact CD2-CB 4.13Å; F408-E415 PolarHBondContact N-O 3.08Å; F408-E415 PolarHBondContact O-N 3.03Å; E415-V423 HydrophobicContact CG-CG1 3.67Å; E415-Y425 HydrophobicContact CB-CD1 4.09Å; E415-Y425 HydrophobicContact CB-CE1 3.7Å; E415-Y425 HydrophobicContact CG-CD1 4.28Å; E415-Y425 HydrophobicContact CG-CE1 3.75Å; E415-Y425 WeakPolarHBondContact OE2-CE1 3.16Å; E415-Y425 PolarHBondContact OE2-OH 3.3Å |
| 416 | C | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.8 | -170.3 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | L404 E405 V423 G424 V426 | L404-C416 HydrophobicContact CB-CB 4.21Å; L404-C416 HydrophobicContact CD1-CB 3.85Å; E405-C416 CarbonylContact O-C 3.6Å; E405-C416 VanDerWaalsContact O-CA 3.25Å; E405-C416 WeakPolarHBondContact O-CA 3.38Å; C416-V423 CarbonylContact O-C 3.59Å; C416-V423 WeakPolarHBondContact O-CA 3.45Å; C416-G424 PolarHBondContact N-O 3.49Å; C416-G424 PolarHBondContact O-N 2.72Å; C416-G424 VanDerWaalsContact O-O 3.11Å; C416-V426 HydrophobicContact CB-CG2 4.08Å |
| 417 | K | 92.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 73 Ų | 73 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.9 | -178.9 | -170.5 | -167.4 | -170.1 | -170.1 | 0 | 110.5 | L404 E405 I407 R422 V423 | L404-K417 CarbonylContact C-O 3.53Å; L404-K417 WeakPolarHBondContact CA-O 3.35Å; E405-K417 HydrophobicContact CB-CB 4.27Å; E405-K417 PolarHBondContact N-O 2.84Å; E405-K417 PolarHBondContact O-N 2.74Å; E405-K417 VanDerWaalsContact OE2-CD 3.24Å; E405-K417 WeakPolarHBondContact OE2-CD 3.43Å; E405-K417 IonicContact OE2-NZ 3.19Å; I407-K417 HydrophobicContact CD1-CB 4.16Å; K417-R422 VanDerWaalsContact CA-O 3.29Å; K417-R422 WeakPolarHBondContact CA-O 3.44Å; K417-V423 HydrophobicContact CB-CG2 4.12Å; K417-V423 HydrophobicContact CD-CG2 4.27Å; K417-V423 HydrophobicContact CG-CG2 3.87Å |
| 418 | N | 91.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | trans | -99.7 | 177.4 | -179.8 | 76.2 | -8.9 | 0 | 0 | 0 | 113.9 | F370 L396 E402 L404 H420 Q421 R422 | F370-N418 WeakPolarHBondContact CZ-O 3.46Å; L396-N418 HydrophobicContact CD2-CB 4.21Å; E402-N418 VanDerWaalsContact OE1-CB 3.31Å; E402-N418 WeakPolarHBondContact OE1-CB 3.41Å; E402-N418 PolarHBondContact OE1-ND2 2.95Å; L404-N418 HydrophobicContact CD2-CB 3.42Å; L404-N418 VanDerWaalsContact CD2-CB 3.42Å; N418-H420 PolarHBondContact ND2-ND1 3.46Å; N418-H420 PolarHBondContact O-N 3.04Å; N418-H420 WeakPolarHBondContact OD1-CB 3.12Å; N418-H420 PolarHBondContact OD1-N 3.04Å; N418-H420 VanDerWaalsContact OD1-N 3.16Å; N418-Q421 WeakPolarHBondContact O-CA 3.21Å; N418-Q421 PolarHBondContact O-N 2.81Å; N418-R422 PolarHBondContact N-O 2.74Å; N418-R422 VanDerWaalsContact N-O 3.15Å; N418-R422 PolarHBondContact OD1-N 3.01Å | ||
| 419 | M | 85.4 | Confident | 89.3 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.5 | 179.2 | 68.7 | 168.8 | 177.9 | 0 | 0 | 114.7 | Q367 F370 | Q367-M419 HydrophobicContact CB-SD 4.42Å; F370-M419 HydrophobicContact CB-CB 4.1Å; F370-M419 HydrophobicContact CD1-CB 3.81Å; F370-M419 HydrophobicContact CD2-CB 4.2Å; F370-M419 HydrophobicContact CE1-CB 4.26Å; F370-M419 HydrophobicContact CG-CB 3.77Å |
| 420 | H | 83.1 | Confident | 89.4 | Confident | 93 Ų | 93 | 70.2 Ų | 70.2 | 43% | 0.431 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 11 | 172.3 | -56 | 99.1 | 0 | 0 | 0 | 112.9 | N418 R422 | N418-H420 PolarHBondContact ND2-ND1 3.46Å; N418-H420 PolarHBondContact O-N 3.04Å; N418-H420 WeakPolarHBondContact OD1-CB 3.12Å; N418-H420 PolarHBondContact OD1-N 3.04Å; N418-H420 VanDerWaalsContact OD1-N 3.16Å; H420-R422 HydrophobicContact CB-CG 4.3Å; H420-R422 PolarHBondContact O-N 2.61Å; H420-R422 VanDerWaalsContact O-N 3.11Å |
| 421 | Q | 86.1 | Confident | 90.1 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | trans | 60.1 | 9.8 | -175.1 | -55.1 | -66.6 | -52.4 | 0 | 0 | 114.8 | N418 | N418-Q421 WeakPolarHBondContact O-CA 3.21Å; N418-Q421 PolarHBondContact O-N 2.81Å | ||
| 422 | R | 86.9 | Confident | 90.3 | Very high | 173 Ų | 173 | 57.3 Ų | 57.3 | 65% | 0.653 | 28% | 0.277 | S | S | * | . | trans | -79.4 | 128.3 | 178.9 | -63.6 | -178 | -179.3 | 176 | -0.3 | 110.1 | L396 K417 N418 H420 | L396-R422 HydrophobicContact CD1-CB 3.99Å; K417-R422 VanDerWaalsContact CA-O 3.29Å; K417-R422 WeakPolarHBondContact CA-O 3.44Å; N418-R422 PolarHBondContact N-O 2.74Å; N418-R422 VanDerWaalsContact N-O 3.15Å; N418-R422 PolarHBondContact OD1-N 3.01Å; H420-R422 HydrophobicContact CB-CG 4.3Å; H420-R422 PolarHBondContact O-N 2.61Å; H420-R422 VanDerWaalsContact O-N 3.11Å | ||
| 423 | V | 91.9 | Very high | 90.4 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 142.3 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | I407 E415 C416 K417 | I407-V423 HydrophobicContact CD1-CG1 4.02Å; I407-V423 HydrophobicContact CD1-CG2 3.96Å; E415-V423 HydrophobicContact CG-CG1 3.67Å; C416-V423 CarbonylContact O-C 3.59Å; C416-V423 WeakPolarHBondContact O-CA 3.45Å; K417-V423 HydrophobicContact CB-CG2 4.12Å; K417-V423 HydrophobicContact CD-CG2 4.27Å; K417-V423 HydrophobicContact CG-CG2 3.87Å |
| 424 | G | 91.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | 167.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | C416 | C416-G424 PolarHBondContact N-O 3.49Å; C416-G424 PolarHBondContact O-N 2.72Å; C416-G424 VanDerWaalsContact O-O 3.11Å |
| 425 | Y | 93.4 | Very high | 89 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 31% | 0.306 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.3 | -178.4 | -65.3 | -66.4 | 0 | 0 | 0 | 112.5 | K394 E395 L396 W414 E415 | K394-Y425 HydrophobicContact CB-CD2 4.11Å; K394-Y425 HydrophobicContact CB-CE2 4.49Å; K394-Y425 WeakPolarHBondContact O-CD2 3.47Å; K394-Y425 PolarHBondContact O-N 3.4Å; E395-Y425 WeakPolarHBondContact CA-O 3.36Å; L396-Y425 PolarHBondContact N-O 3.06Å; L396-Y425 VanDerWaalsContact N-O 3.16Å; W414-Y425 CarbonylContact O-C 3.52Å; W414-Y425 VanDerWaalsContact O-CA 3.3Å; W414-Y425 WeakPolarHBondContact O-CA 3.4Å; E415-Y425 HydrophobicContact CB-CD1 4.09Å; E415-Y425 HydrophobicContact CB-CE1 3.7Å; E415-Y425 HydrophobicContact CG-CD1 4.28Å; E415-Y425 HydrophobicContact CG-CE1 3.75Å; E415-Y425 WeakPolarHBondContact OE2-CE1 3.16Å; E415-Y425 PolarHBondContact OE2-OH 3.3Å |
| 426 | V | 93.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.5 | 176.8 | -175 | 0 | 0 | 0 | 0 | 108.7 | L396 V398 L404 W413 W414 C416 H428 I430 L431 | L396-V426 HydrophobicContact CB-CG2 3.73Å; L396-V426 HydrophobicContact CD2-CG2 4.21Å; V398-V426 HydrophobicContact CG1-CG2 3.94Å; V398-V426 HydrophobicContact CG2-CG1 4.26Å; L404-V426 HydrophobicContact CD1-CG2 4.18Å; W413-V426 CarbonylContact C-O 3.6Å; W413-V426 WeakPolarHBondContact CA-O 3.45Å; W414-V426 PolarHBondContact N-O 3.01Å; W414-V426 PolarHBondContact O-N 3.02Å; C416-V426 HydrophobicContact CB-CG2 4.08Å; V426-H428 PolarHBondContact O-N 3.11Å; V426-I430 HydrophobicContact CG1-CD1 3.92Å; V426-I430 HydrophobicContact CG1-CG1 3.83Å; V426-L431 HydrophobicContact CB-CD1 4.2Å; V426-L431 HydrophobicContact CG1-CD1 4.07Å; V426-L431 HydrophobicContact CG1-CD2 3.92Å; V426-L431 HydrophobicContact CG1-CG 4Å |
| 427 | P | 91.4 | Very high | 85.3 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.1 | 179.1 | 26.3 | -31.4 | 0 | 0 | 0 | 110.9 | W413 T429 I430 | W413-P427 HydrophobicContact CD2-CB 4.32Å; W413-P427 HydrophobicContact CE3-CB 4.37Å; W413-P427 HydrophobicContact CZ3-CG 4.5Å; P427-T429 PolarHBondContact O-N 3.34Å; P427-I430 HydrophobicContact CG-CD1 4.23Å; P427-I430 HydrophobicContact CG-CG1 4.15Å; P427-I430 WeakPolarHBondContact O-CG1 3.34Å; P427-I430 PolarHBondContact O-N 2.99Å |
| 428 | H | 88.2 | Confident | 82.8 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.6 | -26 | -176 | 74.9 | -75 | 0 | 0 | 0 | 113.6 | N412 W414 V426 I430 L431 | N412-H428 PolarHBondContact O-N 2.88Å; N412-H428 VanDerWaalsContact O-N 3.1Å; N412-H428 PolarHBondContact O-ND1 3.19Å; N412-H428 PolarHBondContact OD1-CE1 3.39Å; W414-H428 HydrophobicContact CD2-CB 3.85Å; W414-H428 HydrophobicContact CG-CB 4.14Å; W414-H428 HydrophobicContact CZ2-CB 3.9Å; V426-H428 PolarHBondContact O-N 3.11Å; H428-I430 PolarHBondContact O-N 3.35Å; H428-I430 VanDerWaalsContact O-N 3.13Å; H428-L431 PolarHBondContact O-N 3.21Å |
| 429 | T | 91 | Very high | 80.1 | Confident | 99 Ų | 99 | 73.6 Ų | 73.6 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -64.2 | -12.3 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | P427 | P427-T429 PolarHBondContact O-N 3.34Š|
| 430 | I | 90.3 | Very high | 77.5 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 9% | 0.087 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -113 | 14.8 | 173.6 | 72.1 | 172.3 | 0 | 0 | 0 | 113 | V384 T385 Y386 R388 V398 V426 P427 H428 | V384-I430 WeakPolarHBondContact CA-O 3.48Å; T385-I430 PolarHBondContact N-O 2.86Å; T385-I430 VanDerWaalsContact OG1-C 3.28Å; T385-I430 WeakPolarHBondContact OG1-CA 3.44Å; T385-I430 PolarHBondContact OG1-O 3.1Å; T385-I430 VanDerWaalsContact OG1-O 3.13Å; Y386-I430 HydrophobicContact CD2-CB 4.31Å; Y386-I430 HydrophobicContact CD2-CG2 4.05Å; R388-I430 HydrophobicContact CB-CD1 3.58Å; R388-I430 HydrophobicContact CG-CD1 4.26Å; V398-I430 HydrophobicContact CG2-CD1 3.89Å; V426-I430 HydrophobicContact CG1-CD1 3.92Å; V426-I430 HydrophobicContact CG1-CG1 3.83Å; P427-I430 HydrophobicContact CG-CD1 4.23Å; P427-I430 HydrophobicContact CG-CG1 4.15Å; P427-I430 WeakPolarHBondContact O-CG1 3.34Å; P427-I430 PolarHBondContact O-N 2.99Å; H428-I430 PolarHBondContact O-N 3.35Å; H428-I430 VanDerWaalsContact O-N 3.13Å |
| 431 | L | 90.3 | Very high | 75.1 | Confident | 18 Ų | 18 | 84.6 Ų | 84.6 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.6 | 178.6 | -62.2 | 178.7 | 0 | 0 | 0 | 110 | A382 V384 L404 W414 V426 H428 | A382-L431 HydrophobicContact CB-CB 4.35Å; V384-L431 HydrophobicContact CG2-CD2 3.83Å; L404-L431 HydrophobicContact CD1-CD2 3.83Å; W414-L431 HydrophobicContact CB-CD1 4.26Å; W414-L431 HydrophobicContact CD2-CD1 4.23Å; W414-L431 HydrophobicContact CE3-CB 4.36Å; W414-L431 HydrophobicContact CE3-CD1 3.56Å; W414-L431 HydrophobicContact CZ3-CB 4.32Å; W414-L431 HydrophobicContact CZ3-CD1 4.31Å; V426-L431 HydrophobicContact CB-CD1 4.2Å; V426-L431 HydrophobicContact CG1-CD1 4.07Å; V426-L431 HydrophobicContact CG1-CD2 3.92Å; V426-L431 HydrophobicContact CG1-CG 4Å; H428-L431 PolarHBondContact O-N 3.21Å |
| 432 | S | 89.6 | Confident | 72.6 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.1 | 165.6 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | A382 V383 | A382-S432 CarbonylContact C-O 3.58Å; A382-S432 VanDerWaalsContact CA-O 3.28Å; A382-S432 WeakPolarHBondContact CA-O 3.35Å; V383-S432 PolarHBondContact N-O 3.29Å; V383-S432 PolarHBondContact O-N 3.22Å |
| 433 | M | 88.1 | Confident | 69.7 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 137.5 | 170.7 | -74.2 | -63.2 | -60.7 | 0 | 0 | 110.1 | K380 A382 V406 W414 | K380-M433 HydrophobicContact CB-CE 4.08Å; K380-M433 HydrophobicContact CG-CE 4.39Å; A382-M433 HydrophobicContact CB-SD 4.26Å; V406-M433 HydrophobicContact CG2-SD 4.32Å; W414-M433 HydrophobicContact CH2-CG 3.94Å; W414-M433 HydrophobicContact CH2-SD 4.09Å; W414-M433 HydrophobicContact CZ3-CG 4.01Å; W414-M433 HydrophobicContact CZ3-SD 3.7Å |
| 434 | V | 85.9 | Confident | 67.1 | Low | 18 Ų | 18 | 84.3 Ų | 84.3 | 11% | 0.109 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 118.1 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | V357 L381 V383 Y403 | V357-V434 HydrophobicContact CG1-CG1 3.56Å; L381-V434 HydrophobicContact CB-CB 4.25Å; L381-V434 HydrophobicContact CD2-CB 3.99Å; L381-V434 HydrophobicContact CD2-CG1 4.07Å; L381-V434 HydrophobicContact CD2-CG2 4.07Å; L381-V434 HydrophobicContact CG-CB 4.13Å; L381-V434 HydrophobicContact CG-CG2 4.01Å; L381-V434 PolarHBondContact O-N 3.14Å; V383-V434 HydrophobicContact CB-CG2 4.43Å; Y403-V434 HydrophobicContact CD1-CG2 4.25Å; Y403-V434 HydrophobicContact CE1-CG2 3.91Å |
| 435 | P | 70.4 | Confident | 64.3 | Low | 110 Ų | 110 | 91.7 Ų | 91.7 | 71% | 0.714 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 136.7 | 179.2 | -19.9 | 33 | 0 | 0 | 0 | 112 | ||
| 436 | F | 62.5 | Low | 61.4 | Low | 70 Ų | 70 | 95.5 Ų | 95.5 | 31% | 0.307 | 51% | 0.511 | S | S | . | . | trans | -99.1 | 110.2 | 168.8 | -57.8 | -61.8 | 0 | 0 | 0 | 110.1 | V357 V375 G379 L381 Q438 | V357-F436 HydrophobicContact CG2-CD1 4.21Å; V357-F436 HydrophobicContact CG2-CE1 4.29Å; V375-F436 HydrophobicContact CG2-CE1 3.81Å; G379-F436 WeakPolarHBondContact O-CE2 3.28Å; G379-F436 WeakPolarHBondContact O-CZ 3.48Å; L381-F436 HydrophobicContact CB-CE1 4.11Å; L381-F436 HydrophobicContact CB-CZ 3.59Å; L381-F436 HydrophobicContact CD2-CE1 4.39Å; F436-Q438 PolarHBondContact O-N 3.46Å | ||
| 437 | E | 48.3 | Very low | 58.3 | Low | 146 Ų | 146 | 103.1 Ų | 103.1 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | trans | -73 | 92.4 | 165.5 | -75 | -160.7 | 149.4 | 0 | 0 | 110 | Q439 | E437-Q439 VanDerWaalsContact C-N 3.35Å; E437-Q439 PolarHBondContact O-N 3.06Å | ||
| 438 | Q | 39 | Very low | 55.3 | Low | 170 Ų | 170 | 110.3 Ų | 110.3 | 79% | 0.794 | 58% | 0.584 | S | S | * | * | trans | -70.5 | 92.5 | 165.7 | -73.4 | -174.7 | -14.7 | 0 | 0 | 109.5 | F436 Q440 | F436-Q438 PolarHBondContact O-N 3.46Å; Q438-Q440 PolarHBondContact O-N 3.21Å | ||
| 439 | Q | 34.5 | Very low | 52.4 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 50% | 0.495 | 60% | 0.604 | S | S | . | * | trans | -64.4 | 103.4 | 177 | -67.7 | -179.8 | -23.2 | 0 | 0 | 110.7 | E437 Y441 | E437-Q439 VanDerWaalsContact C-N 3.35Å; E437-Q439 PolarHBondContact O-N 3.06Å; Q439-Y441 HydrophobicContact CB-CD2 3.93Å; Q439-Y441 HydrophobicContact CB-CE2 3.62Å; Q439-Y441 HydrophobicContact CG-CE2 4.3Å; Q439-Y441 PolarHBondContact O-N 3.49Å | ||
| 440 | Q | 32.4 | Very low | 49.2 | Very low | 194 Ų | 194 | 113.2 Ų | 113.2 | 91% | 0.907 | 61% | 0.605 | S | S | * | * | trans | -70.9 | 87.6 | 175.2 | -67.2 | -175.6 | -0.5 | 0 | 0 | 110.6 | Q438 | Q438-Q440 PolarHBondContact O-N 3.21Š| ||
| 441 | Y | 32.8 | Very low | 46.3 | Very low | 181 Ų | 181 | 117.3 Ų | 117.3 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | trans | -99.5 | 115.4 | 171.3 | -69.6 | -53.2 | 0 | 0 | 0 | 111.8 | Q439 | Q439-Y441 HydrophobicContact CB-CD2 3.93Å; Q439-Y441 HydrophobicContact CB-CE2 3.62Å; Q439-Y441 HydrophobicContact CG-CE2 4.3Å; Q439-Y441 PolarHBondContact O-N 3.49Å | ||
| 442 | A | 32.6 | Very low | 43.2 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 443 | S | 26.5 | Very low | 40.2 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125.4 | -176.5 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 444 | P | 36.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.6 | 178.7 | 30.5 | -33.3 | 0 | 0 | 0 | 111 | ||
| 445 | N | 32.4 | Very low | 34.5 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 160.1 | 174.2 | -150.8 | -6.9 | 0 | 0 | 0 | 111.3 | ||
| 446 | H | 32.8 | Very low | 32.4 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.9 | -165.2 | -101.1 | 40.9 | 0 | 0 | 0 | 116.1 | ||
| 447 | H | 29.3 | Very low | 30.9 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 17.4 | 127.6 | 146.8 | -68.5 | 93.1 | 0 | 0 | 0 | 119.6 | ||||
| 448 | N | 27.6 | Very low | 30 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | -153.1 | 176.7 | 100.8 | -133.4 | -35.8 | 0 | 0 | 0 | 114.2 | |||||
| 449 | N | 26.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 171.2 | -161.2 | -167.1 | 15.2 | 0 | 0 | 0 | 114.8 | ||||
| 450 | S | 25.1 | Very low | 29.3 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | trans | 106.1 | 128.1 | 147.7 | -53.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 451 | S | 27.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 65.9 | 101.7 | 145.6 | 50.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 452 | S | 25.8 | Very low | 29.2 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 68.6 | 149.9 | 116.3 | -59.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 453 | T | 27.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 108.3 | 155.8 | 37.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 454 | G | 27.4 | Very low | 30 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -73.4 | -171.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 455 | G | 26.9 | Very low | 29.8 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 177.5 | 141.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 456 | Y | 26.8 | Very low | 29.8 | Very low | 224 Ų | 224 | 134.3 Ų | 134.3 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -90.9 | 164.3 | 179.2 | -72.5 | -99.8 | 0 | 0 | 0 | 112.2 | ||||
| 457 | N | 29.5 | Very low | 29.9 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 113.4 | 150.2 | -66.2 | -17.7 | 0 | 0 | 0 | 121.6 | ||||
| 458 | N | 29.9 | Very low | 30 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | 58.6 | 121.2 | 107.5 | -144 | 19.3 | 0 | 0 | 0 | 120.1 | |||||
| 459 | G | 27.8 | Very low | 30.1 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 175.8 | 128.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 460 | H | 31.5 | Very low | 30.3 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -90.2 | 155.1 | 176.6 | -69.1 | 44.9 | 0 | 0 | 0 | 112.4 | ||||
| 461 | H | 33.8 | Very low | 31.5 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | 149.9 | 139.2 | 115.7 | -77.5 | -56.6 | 0 | 0 | 0 | 116.8 | |||||
| 462 | Q | 28.2 | Very low | 33 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | 43.6 | 139.5 | 139.4 | -58.3 | 178.2 | 6.9 | 0 | 0 | 122.9 | ||||
| 463 | G | 24.5 | Very low | 34.1 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 154 | 127.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 464 | P | 53.1 | Low | 35.2 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -130 | 169 | -159.1 | 42.8 | -28.7 | 0 | 0 | 0 | 118.8 | ||||
| 465 | A | 33 | Very low | 36.7 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 74.1 | 139.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 466 | Q | 32.3 | Very low | 36.8 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | -164.8 | 176.2 | 114.4 | -96.9 | -55.6 | -24.2 | 0 | 0 | 110.9 | |||||
| 467 | N | 33.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | -129.1 | 175.1 | -158.2 | -164.2 | -0.3 | 0 | 0 | 0 | 113.2 | ||||
| 468 | V | 31.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 169.7 | 162.6 | 142.6 | 151.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 469 | Y | 30.6 | Very low | 37.5 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -116 | 171.3 | -164.3 | -93.5 | -170.4 | 0 | 0 | 0 | 112.8 | ||||
| 470 | R | 31.1 | Very low | 37.8 | Very low | 202 Ų | 202 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | -161 | -172.4 | 5.4 | -116.4 | 178.5 | 179.7 | -120.8 | -3.6 | 110.2 | ||||
| 471 | P | 48.7 | Very low | 37.6 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -117.6 | -107.1 | -147.3 | 24 | 3.5 | 0 | 0 | 0 | 120.2 | ||||
| 472 | P | 60.6 | Low | 37.4 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -113.1 | -153.8 | -125.6 | 43.6 | -24.9 | 0 | 0 | 0 | 112.2 | |||||
| 473 | P | 48.3 | Very low | 37.4 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -133.7 | -103.8 | 12.4 | 29.3 | 0.1 | 0 | 0 | 0 | 122.4 | ||||
| 474 | P | 50.4 | Low | 37.9 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -129.5 | -145.6 | -119.3 | 44.9 | -23.4 | 0 | 0 | 0 | 117.3 | |||||
| 475 | P | 58.8 | Low | 36.8 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -135.4 | -171.2 | -107.8 | 44.7 | -24 | 0 | 0 | 0 | 116.6 | |||||
| 476 | L | 30 | Very low | 37.2 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -141.4 | 165.6 | 156.1 | -86.9 | -178.4 | 0 | 0 | 0 | 112.8 | ||||
| 477 | V | 32.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -119.7 | 171.3 | -160.4 | -73.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 478 | S | 35 | Very low | 37.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | -172.2 | -174 | -21 | -88.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 479 | D | 32.6 | Very low | 37.2 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | 73.1 | 137.6 | 174.2 | -81.2 | 8.4 | 0 | 0 | 0 | 117.6 | ||||
| 480 | A | 33.4 | Very low | 37.6 | Very low | 97 Ų | 97 | 147.5 Ų | 147.5 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | cis | -161.7 | 164 | -10.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 481 | G | 28.6 | Very low | 38.2 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 157.2 | 57.4 | -5.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 482 | V | 29.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -122.9 | 147.9 | 173.6 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 483 | Q | 28.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -100.3 | 152.7 | -155 | -63.8 | 169.4 | -18 | 0 | 0 | 115 | ||||
| 484 | V | 33.2 | Very low | 37.9 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -127.3 | 117.4 | 163.8 | -178 | 0 | 0 | 0 | 0 | 108 | ||||
| 485 | E | 31.3 | Very low | 38.1 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 129.1 | -176.6 | -174.2 | 66.7 | -162.9 | 0 | 0 | 111.2 | ||||
| 486 | I | 41 | Very low | 37.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 81% | 0.806 | S | S | * | * | trans | -94.9 | 118 | 179.8 | -59.1 | 172.9 | 0 | 0 | 0 | 109.8 | ||||
| 487 | R | 30 | Very low | 38.6 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -131.6 | 97.5 | 170.5 | -166.2 | 165.6 | -179.4 | 154.4 | -0.8 | 114.5 | ||||
| 488 | R | 34.1 | Very low | 39.2 | Very low | 221 Ų | 221 | 142.1 Ų | 142.1 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 3 | 121.1 | 155.2 | -63.1 | 177.5 | 179.3 | 167.7 | -0.2 | 116.7 | ||||
| 489 | E | 33.3 | Very low | 39.7 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -50.9 | 145.8 | 165.6 | -58.5 | -174.6 | 142.8 | 0 | 0 | 112.2 | ||||
| 490 | H | 38.6 | Very low | 40.5 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -116.9 | 126.1 | 161.2 | -83.5 | 50.6 | 0 | 0 | 0 | 107.7 | A492 | H490-A492 PolarHBondContact O-N 3.4Š| ||
| 491 | V | 43.2 | Very low | 41.5 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 117.6 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 492 | A | 43.1 | Very low | 42.6 | Very low | 82 Ų | 82 | 145 Ų | 145 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 147.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H490 | H490-A492 PolarHBondContact O-N 3.4Š|
| 493 | P | 52.5 | Low | 44 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 154.8 | 176.2 | 30.2 | -35.4 | 0 | 0 | 0 | 111.9 | ||
| 494 | P | 55.5 | Low | 45.1 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.5 | -179.7 | 28.5 | -35.5 | 0 | 0 | 0 | 112.3 | ||
| 495 | P | 55.3 | Low | 46.1 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69 | 151.8 | 175.8 | 29.9 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 496 | P | 53.6 | Low | 46.9 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68 | 153.2 | 175.7 | 29.7 | -35.4 | 0 | 0 | 0 | 111.7 | V498 | P496-V498 PolarHBondContact O-N 3.1Š|
| 497 | P | 45.3 | Very low | 47.2 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 130.3 | -178.6 | 27 | -34.7 | 0 | 0 | 0 | 111.8 | V499 | P497-V499 PolarHBondContact O-N 3.32Š|
| 498 | V | 45.3 | Very low | 48.1 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -72.2 | 108.9 | 173.5 | 179 | 0 | 0 | 0 | 0 | 109 | P496 I500 | P496-V498 PolarHBondContact O-N 3.1Å; V498-I500 PolarHBondContact O-N 3.3Å; V498-I500 VanDerWaalsContact O-N 3.13Å | ||
| 499 | V | 46.6 | Very low | 48.9 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -71.7 | 105.9 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | P497 P501 | P497-V499 PolarHBondContact O-N 3.32Å; V499-P501 WeakPolarHBondContact O-CD 3.31Å | ||
| 500 | I | 48.6 | Very low | 49.7 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.8 | 175.3 | -58.3 | 171.4 | 0 | 0 | 0 | 108.4 | V498 | V498-I500 PolarHBondContact O-N 3.3Å; V498-I500 VanDerWaalsContact O-N 3.13Å |
| 501 | P | 53.4 | Low | 51.1 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 137.7 | 170.6 | 29.1 | -33.1 | 0 | 0 | 0 | 109.4 | V499 | V499-P501 WeakPolarHBondContact O-CD 3.31Š|
| 502 | P | 52.9 | Low | 51.6 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.3 | -179.5 | 26.4 | -34.4 | 0 | 0 | 0 | 111 | ||
| 503 | P | 58 | Low | 52.2 | Low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150.6 | -179.7 | 27.9 | -35.3 | 0 | 0 | 0 | 111.3 | ||
| 504 | P | 52.8 | Low | 52.5 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.3 | 171.3 | 27.8 | -34.3 | 0 | 0 | 0 | 110 | ||
| 505 | P | 53.9 | Low | 52.8 | Low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 149.9 | 177.8 | 27.8 | -34.8 | 0 | 0 | 0 | 110.9 | V507 | P505-V507 PolarHBondContact O-N 3.44Š|
| 506 | P | 49 | Very low | 53.3 | Low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 138.8 | 179.4 | 26.3 | -34.6 | 0 | 0 | 0 | 111 | R508 | P506-R508 PolarHBondContact O-N 3.46Š|
| 507 | V | 45.8 | Very low | 53.9 | Low | 144 Ų | 144 | 124.8 Ų | 124.8 | 87% | 0.873 | 69% | 0.691 | S | S | * | * | trans | -65.6 | 102.3 | 176 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | P505 T509 | P505-V507 PolarHBondContact O-N 3.44Å; V507-T509 PolarHBondContact O-N 2.78Å | ||
| 508 | R | 48.8 | Very low | 54.8 | Low | 232 Ų | 232 | 124.3 Ų | 124.3 | 88% | 0.875 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 121.8 | 168.4 | -73.3 | -175.2 | 170.5 | -163 | -3.4 | 109 | P506 | P506-R508 PolarHBondContact O-N 3.46Š|
| 509 | T | 52.4 | Low | 55.7 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.5 | 158.7 | 48.7 | 0 | 0 | 0 | 0 | 108.5 | V507 | V507-T509 PolarHBondContact O-N 2.78Š|
| 510 | P | 49.5 | Very low | 56.3 | Low | 67 Ų | 67 | 124.7 Ų | 124.7 | 44% | 0.435 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -63 | 140.7 | 178.5 | 27.1 | -34.4 | 0 | 0 | 0 | 110.2 | E514 L515 | P510-E514 WeakPolarHBondContact CA-OE2 3.28Å; P510-E514 HydrophobicContact CB-CB 4.17Å; P510-L515 HydrophobicContact CB-CG 4.33Å; P510-L515 HydrophobicContact CG-CD1 4.49Å; P510-L515 HydrophobicContact CG-CD2 4.03Å; P510-L515 HydrophobicContact CG-CG 4.14Å |
| 511 | T | 68.6 | Low | 56.7 | Low | 81 Ų | 81 | 125.2 Ų | 125.2 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -74.5 | 163.5 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | E513 E514 L515 | T511-E513 PolarHBondContact O-N 3.18Å; T511-E514 PolarHBondContact N-OE2 3.14Å; T511-E514 WeakPolarHBondContact O-CB 3.4Å; T511-E514 PolarHBondContact O-N 3.33Å; T511-L515 PolarHBondContact O-N 2.85Å; T511-L515 VanDerWaalsContact O-N 3.16Å |
| 512 | M | 52.5 | Low | 56.6 | Low | 131 Ų | 131 | 127.3 Ų | 127.3 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.8 | -29.4 | -174.5 | -153.1 | -133.2 | 76.2 | 0 | 0 | 112.9 | L516 | M512-L516 HydrophobicContact CE-CB 4.34Å; M512-L516 HydrophobicContact CE-CD1 4.47Å; M512-L516 HydrophobicContact CE-CD2 4.18Å; M512-L516 WeakPolarHBondContact O-CB 3.45Å; M512-L516 PolarHBondContact O-N 3.08Å |
| 513 | E | 56.6 | Low | 56.4 | Low | 148 Ų | 148 | 129.5 Ų | 129.5 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.8 | -35 | 173.1 | -69.2 | -174.5 | 100.9 | 0 | 0 | 113.3 | T511 L516 R517 | T511-E513 PolarHBondContact O-N 3.18Å; E513-L516 PolarHBondContact O-N 2.85Å; E513-R517 WeakPolarHBondContact O-CB 3.47Å; E513-R517 WeakPolarHBondContact O-CG 3.35Å; E513-R517 PolarHBondContact O-N 3.28Å |
| 514 | E | 58.1 | Low | 55.9 | Low | 103 Ų | 103 | 132.2 Ų | 132.2 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.7 | -42 | 176.1 | -67.2 | -179.6 | 124.6 | 0 | 0 | 110.7 | P510 T511 L516 R517 M518 | P510-E514 WeakPolarHBondContact CA-OE2 3.28Å; P510-E514 HydrophobicContact CB-CB 4.17Å; T511-E514 PolarHBondContact N-OE2 3.14Å; T511-E514 WeakPolarHBondContact O-CB 3.4Å; T511-E514 PolarHBondContact O-N 3.33Å; E514-L516 PolarHBondContact O-N 3.17Å; E514-R517 PolarHBondContact O-N 2.91Å; E514-M518 WeakPolarHBondContact O-CB 3.32Å; E514-M518 WeakPolarHBondContact O-CG 3.43Å; E514-M518 PolarHBondContact O-N 2.86Å |
| 515 | L | 62.4 | Low | 55.5 | Low | 92 Ų | 92 | 135.9 Ų | 135.9 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -61 | -42.9 | 173.1 | -71.7 | 169.5 | 0 | 0 | 0 | 111.9 | P510 T511 M518 Q519 | P510-L515 HydrophobicContact CB-CG 4.33Å; P510-L515 HydrophobicContact CG-CD1 4.49Å; P510-L515 HydrophobicContact CG-CD2 4.03Å; P510-L515 HydrophobicContact CG-CG 4.14Å; T511-L515 PolarHBondContact O-N 2.85Å; T511-L515 VanDerWaalsContact O-N 3.16Å; L515-M518 PolarHBondContact O-N 2.63Å; L515-Q519 PolarHBondContact O-N 3.44Å |
| 516 | L | 64.4 | Low | 54.5 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -65.8 | -38.8 | 178.5 | -155.5 | 70.3 | 0 | 0 | 0 | 111.9 | M512 E513 E514 Q520 | M512-L516 HydrophobicContact CE-CB 4.34Å; M512-L516 HydrophobicContact CE-CD1 4.47Å; M512-L516 HydrophobicContact CE-CD2 4.18Å; M512-L516 WeakPolarHBondContact O-CB 3.45Å; M512-L516 PolarHBondContact O-N 3.08Å; E513-L516 PolarHBondContact O-N 2.85Å; E514-L516 PolarHBondContact O-N 3.17Å; L516-Q520 WeakPolarHBondContact O-CB 3.27Å; L516-Q520 PolarHBondContact O-N 3.33Å; L516-Q520 VanDerWaalsContact O-N 3.13Å |
| 517 | R | 67.9 | Low | 53.7 | Low | 193 Ų | 193 | 144.7 Ų | 144.7 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.4 | -39.8 | 172.6 | -79.7 | -178.2 | 166.1 | -169.1 | -2.5 | 112.9 | E513 E514 Q520 Q521 | E513-R517 WeakPolarHBondContact O-CB 3.47Å; E513-R517 WeakPolarHBondContact O-CG 3.35Å; E513-R517 PolarHBondContact O-N 3.28Å; E514-R517 PolarHBondContact O-N 2.91Å; R517-Q520 PolarHBondContact O-N 2.95Å; R517-Q521 PolarHBondContact O-N 3.49Å; R517-Q521 VanDerWaalsContact O-N 3.08Å |
| 518 | M | 63.8 | Low | 53.3 | Low | 112 Ų | 112 | 147.9 Ų | 147.9 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.2 | -41.1 | 176.7 | -75.7 | 177.4 | 63.5 | 0 | 0 | 112.1 | E514 L515 Q520 Q521 Q522 | E514-M518 WeakPolarHBondContact O-CB 3.32Å; E514-M518 WeakPolarHBondContact O-CG 3.43Å; E514-M518 PolarHBondContact O-N 2.86Å; L515-M518 PolarHBondContact O-N 2.63Å; M518-Q520 VanDerWaalsContact C-N 3.35Å; M518-Q521 PolarHBondContact O-N 3.19Å; M518-Q522 PolarHBondContact O-N 3.05Å; M518-Q522 VanDerWaalsContact O-N 3.14Å |
| 519 | Q | 64 | Low | 52.5 | Low | 129 Ų | 129 | 142.6 Ų | 142.6 | 60% | 0.603 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -61.6 | -43.4 | 174.7 | -171.4 | 173.2 | 60.7 | 0 | 0 | 111.4 | L515 Q521 Q522 Q523 | L515-Q519 PolarHBondContact O-N 3.44Å; Q519-Q521 VanDerWaalsContact C-N 3.33Å; Q519-Q521 PolarHBondContact O-N 3.16Å; Q519-Q522 PolarHBondContact O-N 2.83Å; Q519-Q523 PolarHBondContact O-N 2.95Å |
| 520 | Q | 59.7 | Low | 51.8 | Low | 142 Ų | 142 | 142.8 Ų | 142.8 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.9 | -30.6 | 178.5 | -165.1 | 167.5 | 84.2 | 0 | 0 | 113.2 | L516 R517 M518 | L516-Q520 WeakPolarHBondContact O-CB 3.27Å; L516-Q520 PolarHBondContact O-N 3.33Å; L516-Q520 VanDerWaalsContact O-N 3.13Å; R517-Q520 PolarHBondContact O-N 2.95Å; M518-Q520 VanDerWaalsContact C-N 3.35Å |
| 521 | Q | 55.3 | Low | 51.4 | Low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74.4 | -33.6 | 172.2 | -81.8 | -168 | -10.8 | 0 | 0 | 114 | R517 M518 Q519 Q523 | R517-Q521 PolarHBondContact O-N 3.49Å; R517-Q521 VanDerWaalsContact O-N 3.08Å; M518-Q521 PolarHBondContact O-N 3.19Å; Q519-Q521 VanDerWaalsContact C-N 3.33Å; Q519-Q521 PolarHBondContact O-N 3.16Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.98Å |
| 522 | Q | 53.2 | Low | 49.5 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.5 | -34.1 | 178 | -76 | -174.6 | -16.3 | 0 | 0 | 112.3 | M518 Q519 Q524 K525 | M518-Q522 PolarHBondContact O-N 3.05Å; M518-Q522 VanDerWaalsContact O-N 3.14Å; Q519-Q522 PolarHBondContact O-N 2.83Å; Q522-Q524 PolarHBondContact O-N 3.23Å; Q522-K525 PolarHBondContact O-N 3.02Å |
| 523 | Q | 47.1 | Very low | 48.5 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -69 | -16.9 | -175.1 | -144.6 | 164 | 40.2 | 0 | 0 | 114.2 | Q519 Q521 | Q519-Q523 PolarHBondContact O-N 2.95Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.98Å |
| 524 | Q | 47.5 | Very low | 47.5 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -84.2 | -9.8 | 176.2 | -71.1 | -171.3 | -13.5 | 0 | 0 | 114.7 | Q522 | Q522-Q524 PolarHBondContact O-N 3.23Š|
| 525 | K | 44 | Very low | 46 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -88.3 | 1.4 | -175 | -103.5 | -179.1 | 177.8 | 177.7 | 0 | 116.1 | Q522 | Q522-K525 PolarHBondContact O-N 3.02Š|
| 526 | Q | 34.6 | Very low | 44.3 | Very low | 184 Ų | 184 | 158.9 Ų | 158.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -101.8 | 49.6 | -179.4 | -68.1 | -144.9 | 52.1 | 0 | 0 | 114.5 | ||||
| 527 | R | 32.1 | Very low | 42.5 | Very low | 233 Ų | 233 | 162.1 Ų | 162.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -131.9 | 110.6 | 165.7 | -62.9 | -167.6 | 78.4 | -170.5 | 3.6 | 111.4 | ||||
| 528 | K | 37.5 | Very low | 41.1 | Very low | 211 Ų | 211 | 157.4 Ų | 157.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 137.2 | 169.5 | -67.7 | -178.4 | 178.5 | 178.5 | 0 | 110.9 | ||
| 529 | P | 31.6 | Very low | 39.2 | Very low | 120 Ų | 120 | 160.6 Ų | 160.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 173.5 | 143.8 | -7.3 | 27.7 | 0 | 0 | 0 | 111.2 | ||
| 530 | P | 37.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 159.8 Ų | 159.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -99 | 172.4 | -161.1 | 38.3 | -37.1 | 0 | 0 | 0 | 117.3 | ||
| 531 | V | 41.2 | Very low | 36.6 | Very low | 133 Ų | 133 | 157.7 Ų | 157.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -32.5 | 140.9 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 532 | E | 28.3 | Very low | 35.3 | Very low | 195 Ų | 195 | 160 Ų | 160 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -152 | 144.8 | 143.7 | -115.4 | 170.4 | -164.4 | 0 | 0 | 110.2 | ||||
| 533 | E | 31.8 | Very low | 34.3 | Very low | 172 Ų | 172 | 165.2 Ų | 165.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -104.1 | 151.2 | 167.6 | -66.8 | -166.4 | 142.9 | 0 | 0 | 109.3 | ||||
| 534 | P | 35.6 | Very low | 33.3 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | -152.9 | 140.5 | 100 | 36 | -17.3 | 0 | 0 | 0 | 118 | |||||
| 535 | V | 26.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 71% | 0.709 | 82% | 0.817 | S | S | * | * | trans | 20.2 | 120.8 | 130 | -166.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 536 | Y | 26.8 | Very low | 31.7 | Very low | 220 Ų | 220 | 156 Ų | 156 | 86% | 0.863 | 82% | 0.819 | S | S | * | * | -169 | 162.5 | 118.4 | -126.5 | -100.3 | 0 | 0 | 0 | 115.3 | |||||
| 537 | Q | 26 | Very low | 31.6 | Very low | 166 Ų | 166 | 155.6 Ų | 155.6 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -149.7 | 164.3 | 177.9 | -111.8 | -168.8 | 12.3 | 0 | 0 | 108.5 | ||||
| 538 | P | 39.1 | Very low | 31.6 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | cis | -139.7 | -169.3 | -11.9 | 42.5 | -24.5 | 0 | 0 | 0 | 114.6 | ||||
| 539 | Q | 24.5 | Very low | 31.2 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 70.6 | 166.2 | 156 | -69.8 | -176 | 35.9 | 0 | 0 | 119.3 | ||||
| 540 | P | 40.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | -137.9 | 145.1 | -50.4 | 38.1 | -22.6 | 0 | 0 | 0 | 114.6 | |||||
| 541 | A | 27.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 162.5 Ų | 162.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -151.6 | 114.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 542 | Q | 28.2 | Very low | 30.6 | Very low | 203 Ų | 203 | 163.5 Ų | 163.5 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | 35.7 | 153.7 | 131.9 | -58.8 | -178.8 | 4.2 | 0 | 0 | 123.8 | ||||
| 543 | R | 31.5 | Very low | 31 | Very low | 256 Ų | 256 | 161.7 Ų | 161.7 | 97% | 0.966 | 81% | 0.809 | S | S | * | * | trans | -83.5 | 132.5 | 179 | -71.3 | 173 | 167.6 | 167.6 | -5.7 | 113.6 | ||||
| 544 | A | 27.7 | Very low | 31.3 | Very low | 104 Ų | 104 | 160 Ų | 160 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -160.3 | 158.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 545 | G | 26.9 | Very low | 31.9 | Very low | 62 Ų | 62 | 159.2 Ų | 159.2 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | 126.1 | 66.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 546 | L | 29.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 161.5 Ų | 161.5 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -143.3 | 104.2 | 175 | -78.3 | 164.3 | 0 | 0 | 0 | 106.5 | ||||
| 547 | E | 32.4 | Very low | 34.1 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | 67.8 | 112.7 | 56 | -57.3 | -134.7 | 131.6 | 0 | 0 | 113.8 | |||||
| 548 | I | 31.7 | Very low | 35.2 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -111 | 120.7 | -179.7 | -63.2 | 172.7 | 0 | 0 | 0 | 108.2 | R550 | I548-R550 PolarHBondContact O-N 3.4Š| ||
| 549 | W | 29.7 | Very low | 35.6 | Very low | 227 Ų | 227 | 156.5 Ų | 156.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -67.9 | 92.5 | 178 | -83.7 | 85.6 | 0 | 0 | 0 | 112.4 | R551 | W549-R551 PolarHBondContact O-N 3.16Š| ||
| 550 | R | 30.9 | Very low | 36.7 | Very low | 232 Ų | 232 | 154.4 Ų | 154.4 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -88.9 | 92.5 | 165.8 | -171.5 | -168.3 | -62.9 | -175.3 | 1.2 | 110 | I548 N552 | I548-R550 PolarHBondContact O-N 3.4Å; R550-N552 PolarHBondContact O-N 3.04Å | ||
| 551 | R | 31.9 | Very low | 37 | Very low | 211 Ų | 211 | 153.7 Ų | 153.7 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -81.6 | 112.3 | 174.5 | -157.8 | -177.2 | -158.5 | 114.9 | -0.9 | 110.1 | W549 | W549-R551 PolarHBondContact O-N 3.16Š| ||
| 552 | N | 34.2 | Very low | 37.9 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -146.2 | 148.4 | 162.5 | -161.7 | 3.1 | 0 | 0 | 0 | 109.1 | R550 | R550-N552 PolarHBondContact O-N 3.04Š| ||
| 553 | Q | 37.6 | Very low | 38.6 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -120.6 | 111.4 | -169.2 | -73.1 | -172.2 | -39.8 | 0 | 0 | 112.9 | ||||
| 554 | N | 38.6 | Very low | 39.4 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | -175.6 | 124.2 | 125.1 | -103 | -50 | 0 | 0 | 0 | 110.1 | |||||
| 555 | P | 48.3 | Very low | 40 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -84.2 | -16.5 | -170.5 | 31.9 | -35.3 | 0 | 0 | 0 | 115 | L557 | P555-L557 PolarHBondContact O-N 2.86Š| ||
| 556 | Q | 51.2 | Low | 40.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -74.4 | -28.6 | -166.9 | -70.8 | 177.1 | -20.6 | 0 | 0 | 114.5 | I558 | Q556-I558 VanDerWaalsContact C-N 3.31Å; Q556-I558 PolarHBondContact O-N 3.49Å |
| 557 | L | 47.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -77 | -11.7 | -173.6 | -142.1 | 81.6 | 0 | 0 | 0 | 114.7 | P555 | P555-L557 PolarHBondContact O-N 2.86Å |
| 558 | I | 50.1 | Low | 41.4 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -83.5 | -38.5 | -178 | -64.8 | 177 | 0 | 0 | 0 | 110.8 | Q556 V561 T562 | Q556-I558 VanDerWaalsContact C-N 3.31Å; Q556-I558 PolarHBondContact O-N 3.49Å; I558-V561 PolarHBondContact O-N 2.9Å; I558-T562 PolarHBondContact O-N 3.32Å; I558-T562 PolarHBondContact O-OG1 3.33Å |
| 559 | Q | 46.3 | Very low | 41.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 55% | 0.551 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -67.3 | -45.4 | -172.6 | -173.3 | 167.7 | -5 | 0 | 0 | 112.4 | V561 T562 E563 | Q559-V561 VanDerWaalsContact C-N 3.29Å; Q559-V561 PolarHBondContact O-N 3.27Å; Q559-T562 WeakPolarHBondContact CA-OG1 3.5Å; Q559-T562 PolarHBondContact O-N 2.88Å; Q559-T562 VanDerWaalsContact O-N 3.13Å; Q559-T562 PolarHBondContact O-OG1 2.89Å; Q559-E563 HydrophobicContact CG-CG 4.46Å; Q559-E563 WeakPolarHBondContact CG-OE1 3.26Å; Q559-E563 PolarHBondContact NE2-OE1 2.96Å; Q559-E563 WeakPolarHBondContact O-CG 3.49Å; Q559-E563 PolarHBondContact O-N 3.16Å; Q559-E563 VanDerWaalsContact O-N 3.12Å |
| 560 | E | 48.5 | Very low | 41.6 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -58.4 | -38 | 179.4 | -173.2 | 174.5 | -156.3 | 0 | 0 | 113 | T564 | E560-T564 PolarHBondContact O-OG1 2.94Å |
| 561 | V | 45.9 | Very low | 41.9 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -74.7 | -32.5 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | I558 Q559 | I558-V561 PolarHBondContact O-N 2.9Å; Q559-V561 VanDerWaalsContact C-N 3.29Å; Q559-V561 PolarHBondContact O-N 3.27Å |
| 562 | T | 46.1 | Very low | 42 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -75.5 | -24.1 | 176.1 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | I558 Q559 | I558-T562 PolarHBondContact O-N 3.32Å; I558-T562 PolarHBondContact O-OG1 3.33Å; Q559-T562 WeakPolarHBondContact CA-OG1 3.5Å; Q559-T562 PolarHBondContact O-N 2.88Å; Q559-T562 VanDerWaalsContact O-N 3.13Å; Q559-T562 PolarHBondContact O-OG1 2.89Å |
| 563 | E | 44.7 | Very low | 42.3 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -90.5 | -12.4 | -174.6 | -71.5 | 176.3 | -173.5 | 0 | 0 | 113.9 | Q559 | Q559-E563 HydrophobicContact CG-CG 4.46Å; Q559-E563 WeakPolarHBondContact CG-OE1 3.26Å; Q559-E563 PolarHBondContact NE2-OE1 2.96Å; Q559-E563 WeakPolarHBondContact O-CG 3.49Å; Q559-E563 PolarHBondContact O-N 3.16Å; Q559-E563 VanDerWaalsContact O-N 3.12Å |
| 564 | T | 47.8 | Very low | 41.9 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -108.1 | -11.8 | -170.3 | 45.2 | 0 | 0 | 0 | 0 | 116.9 | E560 | E560-T564 PolarHBondContact O-OG1 2.94Å |
| 565 | V | 39.8 | Very low | 41.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -117.5 | 63.9 | -175.2 | -165.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 566 | G | 43.3 | Very low | 41.1 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -164.7 | 30.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 567 | Q | 38.6 | Very low | 40.2 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -99.4 | -21.3 | -163.2 | -100.9 | 169.4 | 90.2 | 0 | 0 | 122 | ||||
| 568 | H | 36.4 | Very low | 39.4 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | -146 | 132.9 | -165.8 | -19.8 | -59.5 | 0 | 0 | 0 | 114.3 | ||||
| 569 | S | 35.1 | Very low | 38.8 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -96.1 | 151.2 | 170.8 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 570 | G | 30.2 | Very low | 38.2 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 176.7 | 115.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 571 | D | 37.6 | Very low | 37.7 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -71.2 | 152.5 | 176.2 | -66.7 | -83.1 | 0 | 0 | 0 | 112.6 | ||||
| 572 | I | 34.4 | Very low | 38 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | -166.9 | 118.7 | 123.2 | -94.4 | 149.8 | 0 | 0 | 0 | 110.5 | |||||
| 573 | L | 39.5 | Very low | 38.9 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -12.9 | 124.8 | 168.1 | -56.7 | 170 | 0 | 0 | 0 | 119.2 | ||||
| 574 | R | 30.7 | Very low | 40.1 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -137 | 147.1 | 138.4 | -111.2 | -178.9 | 172 | -170.9 | -3.5 | 109.8 | ||||
| 575 | P | 31.7 | Very low | 41.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -64.4 | 143.3 | -168.6 | -23.9 | 35 | 0 | 0 | 0 | 114 | M577 | P575-M577 PolarHBondContact O-N 2.91Š| ||
| 576 | A | 37.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | -74.5 | 90.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 577 | M | 31.8 | Very low | 44.5 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | -75.7 | 139 | 158.3 | -161.8 | 165.5 | -175.5 | 0 | 0 | 109.1 | P575 | P575-M577 PolarHBondContact O-N 2.91Š| ||
| 578 | Q | 32.3 | Very low | 46 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | -63.6 | 144.3 | -162.3 | -65.9 | 155.9 | -14.2 | 0 | 0 | 112.8 | A580 | Q578-A580 VanDerWaalsContact C-N 3.35Å; Q578-A580 PolarHBondContact O-N 2.91Å | ||
| 579 | R | 36.5 | Very low | 48.1 | Very low | 247 Ų | 247 | 126.2 Ų | 126.2 | 93% | 0.932 | 67% | 0.673 | S | S | * | * | trans | -65.8 | 94.1 | 166.9 | -83.7 | -176.7 | 171.7 | 168 | -1.7 | 109 | T581 | R579-T581 PolarHBondContact O-N 2.82Š| ||
| 580 | A | 33.2 | Very low | 50.3 | Low | 75 Ų | 75 | 122 Ų | 122 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | trans | -54.7 | 123.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q578 R582 | Q578-A580 VanDerWaalsContact C-N 3.35Å; Q578-A580 PolarHBondContact O-N 2.91Å; A580-R582 PolarHBondContact O-N 3.41Å | ||
| 581 | T | 38.1 | Very low | 52.6 | Low | 120 Ų | 120 | 120.5 Ų | 120.5 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | trans | -66.2 | 112.2 | 173.1 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | R579 V583 | R579-T581 PolarHBondContact O-N 2.82Å; T581-V583 PolarHBondContact O-N 2.96Å | ||
| 582 | R | 53.1 | Low | 54.7 | Low | 209 Ų | 209 | 119.5 Ų | 119.5 | 79% | 0.789 | 61% | 0.61 | S | S | * | * | trans | -57.9 | 100.4 | 178.2 | -66.3 | -175.3 | -176.9 | -142.2 | 5.2 | 110.5 | A580 | A580-R582 PolarHBondContact O-N 3.41Š| ||
| 583 | V | 63.6 | Low | 57 | Low | 33 Ų | 33 | 114.1 Ų | 114.1 | 20% | 0.2 | 58% | 0.583 | C | S | . | * | trans | -63.9 | 136.5 | 168.2 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | T581 R596 W597 E600 | T581-V583 PolarHBondContact O-N 2.96Å; V583-R596 HydrophobicContact CG2-CG 4.44Å; V583-W597 HydrophobicContact CB-CB 4.49Å; V583-W597 HydrophobicContact CG1-CB 3.93Å; V583-W597 VanDerWaalsContact O-CD1 3.25Å; V583-E600 VanDerWaalsContact CB-OE2 3.31Å; V583-E600 WeakPolarHBondContact CB-OE2 3.5Å; V583-E600 WeakPolarHBondContact CG2-OE2 3.47Å; V583-E600 PolarHBondContact N-OE2 2.82Å | ||
| 584 | A | 70.3 | Confident | 59.1 | Low | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | trans | -135.7 | 110 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 585 | I | 78.4 | Confident | 61.5 | Low | 2 Ų | 2 | 95.7 Ų | 95.7 | 1% | 0.01 | 50% | 0.504 | C | S | . | . | trans | -77.9 | 143.2 | -179.4 | 52.5 | 166.4 | 0 | 0 | 0 | 111.9 | S589 V594 W597 L619 F620 L643 Q646 | I585-S589 WeakPolarHBondContact CA-OG 3.42Å; I585-V594 HydrophobicContact CG2-CG2 4.19Å; I585-W597 HydrophobicContact CD1-CD2 3.69Å; I585-W597 HydrophobicContact CD1-CE3 3.52Å; I585-W597 HydrophobicContact CD1-CG 4.35Å; I585-W597 HydrophobicContact CD1-CH2 4.02Å; I585-W597 HydrophobicContact CD1-CZ2 4.17Å; I585-W597 HydrophobicContact CD1-CZ3 3.69Å; I585-W597 HydrophobicContact CG1-CD2 3.81Å; I585-W597 HydrophobicContact CG1-CE3 4.19Å; I585-W597 HydrophobicContact CG1-CG 4.09Å; I585-W597 HydrophobicContact CG1-CZ2 4.29Å; I585-W597 HydrophobicContact CG2-CB 3.64Å; I585-W597 HydrophobicContact CG2-CD2 4.25Å; I585-W597 HydrophobicContact CG2-CG 3.77Å; I585-L619 HydrophobicContact CD1-CD2 4.17Å; I585-F620 HydrophobicContact CD1-CE2 4.43Å; I585-F620 HydrophobicContact CD1-CZ 4.08Å; I585-F620 HydrophobicContact CG1-CE2 4.4Å; I585-F620 HydrophobicContact CG1-CZ 4.01Å; I585-L643 HydrophobicContact CD1-CD2 3.62Å; I585-Q646 HydrophobicContact CG1-CB 4.42Å; I585-Q646 HydrophobicContact CG1-CG 4.13Å | ||
| 586 | N | 75.2 | Confident | 64 | Low | 69 Ų | 69 | 95.5 Ų | 95.5 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | trans | -132.6 | 176.7 | 174.6 | 70.6 | 84.5 | 0 | 0 | 0 | 109.6 | K588 S589 | N586-K588 PolarHBondContact O-N 3.13Å; N586-K588 PolarHBondContact OD1-N 3.07Å; N586-S589 PolarHBondContact N-OG 3.05Å; N586-S589 PolarHBondContact ND2-OG 3.3Å; N586-S589 WeakPolarHBondContact O-CB 3.36Å; N586-S589 PolarHBondContact O-N 2.98Å; N586-S589 PolarHBondContact O-OG 2.98Å | ||
| 587 | E | 70.9 | Confident | 66.3 | Low | 102 Ų | 102 | 90.5 Ų | 90.5 | 48% | 0.477 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.4 | -176.7 | -168.5 | 178.2 | 158.4 | 0 | 0 | 114 | A617 F652 | E587-A617 HydrophobicContact CG-CB 4.19Å; E587-A617 WeakPolarHBondContact O-CB 3.33Å; E587-A617 PolarHBondContact O-N 3.18Å; E587-A617 VanDerWaalsContact O-N 3.12Å; E587-F652 HydrophobicContact CG-CD2 4.48Å; E587-F652 HydrophobicContact CG-CE2 4.21Å; E587-F652 WeakPolarHBondContact OE2-CD2 3.14Å; E587-F652 WeakPolarHBondContact OE2-CE2 3.25Å |
| 588 | K | 69.8 | Low | 68.8 | Low | 189 Ų | 189 | 81.6 Ų | 81.6 | 82% | 0.822 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 13 | 179.4 | -54.7 | -174.1 | -179.8 | -175.4 | 0 | 113.7 | N586 | N586-K588 PolarHBondContact O-N 3.13Å; N586-K588 PolarHBondContact OD1-N 3.07Å |
| 589 | S | 79.8 | Confident | 71.3 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | trans | -67.2 | 136.3 | 174.4 | -76.2 | 0 | 0 | 0 | 0 | 111.1 | I585 N586 G616 | I585-S589 WeakPolarHBondContact CA-OG 3.42Å; N586-S589 PolarHBondContact N-OG 3.05Å; N586-S589 PolarHBondContact ND2-OG 3.3Å; N586-S589 WeakPolarHBondContact O-CB 3.36Å; N586-S589 PolarHBondContact O-N 2.98Å; N586-S589 PolarHBondContact O-OG 2.98Å; S589-G616 PolarHBondContact O-N 3.16Å | ||
| 590 | S | 81.3 | Confident | 73.5 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | trans | -69.8 | 161.8 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | E592 D593 V594 | S590-E592 PolarHBondContact O-N 3.32Å; S590-D593 WeakPolarHBondContact CB-OD2 3.49Å; S590-D593 PolarHBondContact N-OD2 3.13Å; S590-D593 VanDerWaalsContact N-OD2 3.09Å; S590-D593 WeakPolarHBondContact O-CB 3.31Å; S590-D593 PolarHBondContact O-N 3.35Å; S590-D593 PolarHBondContact OG-N 3.37Å; S590-D593 PolarHBondContact OG-OD2 2.9Å; S590-V594 PolarHBondContact O-N 3.42Å | ||
| 591 | P | 79.7 | Confident | 75.8 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.2 | -32.8 | 171.1 | -27.3 | 36.4 | 0 | 0 | 0 | 114 | V594 T595 G613 Q614 D615 | P591-V594 PolarHBondContact O-N 3.4Å; P591-T595 WeakPolarHBondContact O-CB 3.34Å; P591-T595 PolarHBondContact O-N 3.24Å; P591-T595 PolarHBondContact O-OG1 3.46Å; P591-G613 WeakPolarHBondContact CG-O 3.37Å; P591-Q614 WeakPolarHBondContact CA-O 3.21Å; P591-D615 HydrophobicContact CG-CB 4.23Å |
| 592 | E | 81.2 | Confident | 77.9 | Confident | 139 Ų | 139 | 66.1 Ų | 66.1 | 65% | 0.65 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 174.3 | -64.1 | -177.1 | -155.1 | 0 | 0 | 112 | S590 R596 | S590-E592 PolarHBondContact O-N 3.32Å; E592-R596 WeakPolarHBondContact O-CB 3.46Å; E592-R596 PolarHBondContact O-N 3.08Å |
| 593 | D | 82.9 | Confident | 79.5 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 176.1 | -61.4 | -55.3 | 0 | 0 | 0 | 111.8 | S590 R596 W597 | S590-D593 WeakPolarHBondContact CB-OD2 3.49Å; S590-D593 PolarHBondContact N-OD2 3.13Å; S590-D593 VanDerWaalsContact N-OD2 3.09Å; S590-D593 WeakPolarHBondContact O-CB 3.31Å; S590-D593 PolarHBondContact O-N 3.35Å; S590-D593 PolarHBondContact OG-N 3.37Å; S590-D593 PolarHBondContact OG-OD2 2.9Å; D593-R596 IonicContact OD1-NH1 3.55Å; D593-W597 WeakPolarHBondContact O-CB 3.24Å; D593-W597 PolarHBondContact O-N 3.44Å |
| 594 | V | 82.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -50 | 175 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | I585 S590 P591 R596 W597 L598 Q614 L619 | I585-V594 HydrophobicContact CG2-CG2 4.19Å; S590-V594 PolarHBondContact O-N 3.42Å; P591-V594 PolarHBondContact O-N 3.4Å; V594-R596 PolarHBondContact O-N 3.48Å; V594-W597 WeakPolarHBondContact O-CB 3.4Å; V594-W597 PolarHBondContact O-N 3.19Å; V594-W597 VanDerWaalsContact O-N 3.15Å; V594-L598 HydrophobicContact CG1-CD1 4.23Å; V594-L598 WeakPolarHBondContact O-CG 3.49Å; V594-L598 PolarHBondContact O-N 2.76Å; V594-Q614 WeakPolarHBondContact CB-O 3.3Å; V594-L619 HydrophobicContact CG1-CD2 3.54Å; V594-L619 HydrophobicContact CG2-CD2 4.49Å |
| 595 | T | 82.4 | Confident | 80.7 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | P591 W597 L598 Q599 I608 | P591-T595 WeakPolarHBondContact O-CB 3.34Å; P591-T595 PolarHBondContact O-N 3.24Å; P591-T595 PolarHBondContact O-OG1 3.46Å; T595-W597 VanDerWaalsContact C-N 3.32Å; T595-W597 PolarHBondContact O-N 3.13Å; T595-L598 PolarHBondContact O-N 3.28Å; T595-Q599 WeakPolarHBondContact O-CG 3.42Å; T595-Q599 PolarHBondContact O-N 3.45Å; T595-I608 HydrophobicContact CG2-CG2 3.73Å |
| 596 | R | 82.8 | Confident | 80.7 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 46% | 0.46 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.7 | -168.1 | -178.7 | -60.3 | 138.1 | 6.5 | 112.5 | V583 E592 D593 V594 E600 | V583-R596 HydrophobicContact CG2-CG 4.44Å; E592-R596 WeakPolarHBondContact O-CB 3.46Å; E592-R596 PolarHBondContact O-N 3.08Å; D593-R596 IonicContact OD1-NH1 3.55Å; V594-R596 PolarHBondContact O-N 3.48Å; R596-E600 PolarHBondContact O-N 3.43Å |
| 597 | W | 87 | Confident | 80.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 175 | 179.3 | 81.6 | 0 | 0 | 0 | 112.5 | V583 I585 D593 V594 T595 Q599 E600 K601 F603 L639 Q642 L643 Q646 | V583-W597 HydrophobicContact CB-CB 4.49Å; V583-W597 HydrophobicContact CG1-CB 3.93Å; V583-W597 VanDerWaalsContact O-CD1 3.25Å; I585-W597 HydrophobicContact CD1-CD2 3.69Å; I585-W597 HydrophobicContact CD1-CE3 3.52Å; I585-W597 HydrophobicContact CD1-CG 4.35Å; I585-W597 HydrophobicContact CD1-CH2 4.02Å; I585-W597 HydrophobicContact CD1-CZ2 4.17Å; I585-W597 HydrophobicContact CD1-CZ3 3.69Å; I585-W597 HydrophobicContact CG1-CD2 3.81Å; I585-W597 HydrophobicContact CG1-CE3 4.19Å; I585-W597 HydrophobicContact CG1-CG 4.09Å; I585-W597 HydrophobicContact CG1-CZ2 4.29Å; I585-W597 HydrophobicContact CG2-CB 3.64Å; I585-W597 HydrophobicContact CG2-CD2 4.25Å; I585-W597 HydrophobicContact CG2-CG 3.77Å; D593-W597 WeakPolarHBondContact O-CB 3.24Å; D593-W597 PolarHBondContact O-N 3.44Å; V594-W597 WeakPolarHBondContact O-CB 3.4Å; V594-W597 PolarHBondContact O-N 3.19Å; V594-W597 VanDerWaalsContact O-N 3.15Å; T595-W597 VanDerWaalsContact C-N 3.32Å; T595-W597 PolarHBondContact O-N 3.13Å; W597-Q599 VanDerWaalsContact C-N 3.32Å; W597-Q599 PolarHBondContact O-N 3.14Å; W597-E600 PolarHBondContact O-N 3.32Å; W597-K601 HydrophobicContact CD2-CG 4.14Å; W597-K601 HydrophobicContact CZ2-CG 4.12Å; W597-K601 WeakPolarHBondContact O-CB 3.34Å; W597-K601 WeakPolarHBondContact O-CG 3.49Å; W597-K601 PolarHBondContact O-N 2.78Å; W597-F603 HydrophobicContact CZ3-CE2 4.4Å; W597-L639 HydrophobicContact CH2-CD1 4.28Å; W597-L639 HydrophobicContact CZ3-CD1 3.82Å; W597-Q642 HydrophobicContact CH2-CB 3.72Å; W597-Q642 HydrophobicContact CZ2-CB 4Å; W597-L643 HydrophobicContact CH2-CD2 4.2Å; W597-L643 HydrophobicContact CH2-CG 4.32Å; W597-L643 HydrophobicContact CZ3-CD2 4.27Å; W597-Q646 HydrophobicContact CZ2-CG 3.67Å |
| 598 | L | 84.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.2 | -68 | 170.2 | 0 | 0 | 0 | 111 | V594 T595 K601 G602 F603 I608 L611 L639 | V594-L598 HydrophobicContact CG1-CD1 4.23Å; V594-L598 WeakPolarHBondContact O-CG 3.49Å; V594-L598 PolarHBondContact O-N 2.76Å; T595-L598 PolarHBondContact O-N 3.28Å; L598-K601 PolarHBondContact O-N 2.93Å; L598-G602 PolarHBondContact O-N 3.4Å; L598-F603 HydrophobicContact CB-CD2 4.25Å; L598-F603 HydrophobicContact CD2-CD2 3.59Å; L598-F603 HydrophobicContact CD2-CE2 3.9Å; L598-F603 HydrophobicContact CD2-CG 4.12Å; L598-F603 PolarHBondContact O-N 3.37Å; L598-I608 HydrophobicContact CB-CG1 3.77Å; L598-L611 HydrophobicContact CD1-CB 3.79Å; L598-L611 HydrophobicContact CD1-CD1 3.86Å; L598-L611 HydrophobicContact CD1-CG 4.47Å; L598-L611 HydrophobicContact CD2-CD1 4.39Å; L598-L639 HydrophobicContact CD2-CD1 3.66Å |
| 599 | Q | 84.1 | Confident | 81.5 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 173.1 | -70.2 | 168.6 | 3.4 | 0 | 0 | 112.2 | T595 W597 K601 G602 I608 | T595-Q599 WeakPolarHBondContact O-CG 3.42Å; T595-Q599 PolarHBondContact O-N 3.45Å; W597-Q599 VanDerWaalsContact C-N 3.32Å; W597-Q599 PolarHBondContact O-N 3.14Å; Q599-K601 PolarHBondContact O-N 3.05Å; Q599-G602 PolarHBondContact O-N 3.18Å; Q599-I608 HydrophobicContact CG-CD1 3.74Å; Q599-I608 HydrophobicContact CG-CG1 4.32Å; Q599-I608 HydrophobicContact CG-CG2 4.22Å |
| 600 | E | 83.2 | Confident | 81.4 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.2 | -14 | 177.7 | -162.5 | -134.4 | 116.6 | 0 | 0 | 113.4 | V583 R596 W597 | V583-E600 VanDerWaalsContact CB-OE2 3.31Å; V583-E600 WeakPolarHBondContact CB-OE2 3.5Å; V583-E600 WeakPolarHBondContact CG2-OE2 3.47Å; V583-E600 PolarHBondContact N-OE2 2.82Å; R596-E600 PolarHBondContact O-N 3.43Å; W597-E600 PolarHBondContact O-N 3.32Å |
| 601 | K | 81.5 | Confident | 81.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -94 | -6.8 | 173.3 | -68.6 | -68.6 | 135.9 | -70 | 0 | 113.3 | W597 L598 Q599 F603 | W597-K601 HydrophobicContact CD2-CG 4.14Å; W597-K601 HydrophobicContact CZ2-CG 4.12Å; W597-K601 WeakPolarHBondContact O-CB 3.34Å; W597-K601 WeakPolarHBondContact O-CG 3.49Å; W597-K601 PolarHBondContact O-N 2.78Å; L598-K601 PolarHBondContact O-N 2.93Å; Q599-K601 PolarHBondContact O-N 3.05Å; K601-F603 HydrophobicContact CB-CD2 3.66Å; K601-F603 HydrophobicContact CB-CE2 3.51Å; K601-F603 HydrophobicContact CG-CE2 4.28Å |
| 602 | G | 82.8 | Confident | 80.9 | Confident | 65 Ų | 65 | 62 Ų | 62 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 30.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L598 Q599 | L598-G602 PolarHBondContact O-N 3.4Å; Q599-G602 PolarHBondContact O-N 3.18Å |
| 603 | F | 85.6 | Confident | 80.5 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | trans | -65.5 | 154.6 | 167.4 | -72.6 | -81.2 | 0 | 0 | 0 | 110.8 | W597 L598 K601 V607 I608 Y638 L639 Q642 | W597-F603 HydrophobicContact CZ3-CE2 4.4Å; L598-F603 HydrophobicContact CB-CD2 4.25Å; L598-F603 HydrophobicContact CD2-CD2 3.59Å; L598-F603 HydrophobicContact CD2-CE2 3.9Å; L598-F603 HydrophobicContact CD2-CG 4.12Å; L598-F603 PolarHBondContact O-N 3.37Å; K601-F603 HydrophobicContact CB-CD2 3.66Å; K601-F603 HydrophobicContact CB-CE2 3.51Å; K601-F603 HydrophobicContact CG-CE2 4.28Å; F603-V607 HydrophobicContact CB-CB 4.29Å; F603-V607 HydrophobicContact CB-CG1 4.03Å; F603-V607 HydrophobicContact CD1-CG1 4.08Å; F603-V607 HydrophobicContact CG-CG1 4.25Å; F603-I608 WeakPolarHBondContact O-CD1 3.45Å; F603-Y638 HydrophobicContact CD1-CD1 4.44Å; F603-Y638 AromaticContact CE1-CD1 3.54Å; F603-Y638 HydrophobicContact CE1-CD1 3.54Å; F603-Y638 HydrophobicContact CE1-CE1 4.23Å; F603-Y638 AromaticContact CZ-CD1 3.65Å; F603-Y638 HydrophobicContact CZ-CD1 3.65Å; F603-Y638 AromaticContact CZ-CE1 3.99Å; F603-Y638 HydrophobicContact CZ-CE1 3.99Å; F603-L639 HydrophobicContact CE1-CB 3.62Å; F603-L639 HydrophobicContact CE1-CD1 4.13Å; F603-L639 HydrophobicContact CE1-CG 4.38Å; F603-L639 HydrophobicContact CE2-CD1 4.06Å; F603-L639 HydrophobicContact CZ-CB 3.88Å; F603-L639 HydrophobicContact CZ-CD1 3.72Å; F603-L639 HydrophobicContact CZ-CG 4.39Å; F603-Q642 HydrophobicContact CZ-CG 4.31Å | ||
| 604 | S | 82.1 | Confident | 80.2 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | trans | -60.6 | 148.8 | 178.1 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | R606 V607 I608 E635 | S604-R606 PolarHBondContact O-N 3.35Å; S604-R606 VanDerWaalsContact O-N 3.16Å; S604-V607 PolarHBondContact O-N 2.92Å; S604-V607 WeakPolarHBondContact OG-CG2 3.38Å; S604-V607 PolarHBondContact OG-N 3.15Å; S604-I608 PolarHBondContact O-N 2.64Å; S604-I608 VanDerWaalsContact O-N 3.11Å; S604-E635 VanDerWaalsContact CB-OE1 3.32Å; S604-E635 WeakPolarHBondContact CB-OE1 3.39Å; S604-E635 WeakPolarHBondContact CB-OE2 3.44Å; S604-E635 PolarHBondContact N-OE1 2.96Å; S604-E635 PolarHBondContact OG-OE1 3.36Å; S604-E635 PolarHBondContact OG-OE2 2.67Å | ||
| 605 | P | 76.3 | Confident | 80 | Confident | 94 Ų | 94 | 61 Ų | 61 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -51.6 | -38.7 | 174.6 | -29 | 36.2 | 0 | 0 | 0 | 112.3 | V607 I608 D609 | P605-V607 VanDerWaalsContact C-N 3.31Å; P605-V607 PolarHBondContact O-N 2.82Å; P605-I608 CarbonylContact O-C 3.6Å; P605-I608 WeakPolarHBondContact O-CB 3.34Å; P605-I608 PolarHBondContact O-N 2.85Å; P605-I608 VanDerWaalsContact O-N 3.08Å; P605-D609 PolarHBondContact O-N 2.87Å |
| 606 | R | 79.4 | Confident | 79.7 | Confident | 186 Ų | 186 | 60 Ų | 60 | 70% | 0.702 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55.5 | -40 | 173.5 | 175.2 | -179.4 | 173.3 | 143 | 2 | 113.6 | S604 L610 | S604-R606 PolarHBondContact O-N 3.35Å; S604-R606 VanDerWaalsContact O-N 3.16Å; R606-L610 WeakPolarHBondContact O-CB 3.22Å; R606-L610 PolarHBondContact O-N 2.77Å; R606-L610 VanDerWaalsContact O-N 3.11Å |
| 607 | V | 76.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -31.1 | 178.2 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | F603 S604 P605 L611 C631 E635 L639 | F603-V607 HydrophobicContact CB-CB 4.29Å; F603-V607 HydrophobicContact CB-CG1 4.03Å; F603-V607 HydrophobicContact CD1-CG1 4.08Å; F603-V607 HydrophobicContact CG-CG1 4.25Å; S604-V607 PolarHBondContact O-N 2.92Å; S604-V607 WeakPolarHBondContact OG-CG2 3.38Å; S604-V607 PolarHBondContact OG-N 3.15Å; P605-V607 VanDerWaalsContact C-N 3.31Å; P605-V607 PolarHBondContact O-N 2.82Å; V607-L611 HydrophobicContact CG1-CD1 3.91Å; V607-L611 WeakPolarHBondContact O-CB 3.33Å; V607-L611 VanDerWaalsContact O-CG 3.31Å; V607-L611 WeakPolarHBondContact O-CG 3.29Å; V607-L611 PolarHBondContact O-N 2.88Å; V607-C631 HydrophobicContact CG1-CB 4.4Å; V607-C631 HydrophobicContact CG2-CB 3.75Å; V607-E635 HydrophobicContact CG2-CB 4.18Å; V607-E635 WeakPolarHBondContact CG2-OE2 3.25Å; V607-L639 HydrophobicContact CG1-CD2 4.41Å |
| 608 | I | 80.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 60 Ų | 60 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.9 | -51.8 | 173.5 | -65.3 | 154.7 | 0 | 0 | 0 | 109.9 | T595 L598 Q599 F603 S604 P605 L610 L611 D612 | T595-I608 HydrophobicContact CG2-CG2 3.73Å; L598-I608 HydrophobicContact CB-CG1 3.77Å; Q599-I608 HydrophobicContact CG-CD1 3.74Å; Q599-I608 HydrophobicContact CG-CG1 4.32Å; Q599-I608 HydrophobicContact CG-CG2 4.22Å; F603-I608 WeakPolarHBondContact O-CD1 3.45Å; S604-I608 PolarHBondContact O-N 2.64Å; S604-I608 VanDerWaalsContact O-N 3.11Å; P605-I608 CarbonylContact O-C 3.6Å; P605-I608 WeakPolarHBondContact O-CB 3.34Å; P605-I608 PolarHBondContact O-N 2.85Å; P605-I608 VanDerWaalsContact O-N 3.08Å; I608-L610 VanDerWaalsContact C-N 3.28Å; I608-L610 PolarHBondContact O-N 2.68Å; I608-L611 CarbonylContact O-C 3.53Å; I608-L611 PolarHBondContact O-N 3.13Å; I608-L611 VanDerWaalsContact O-N 3.15Å; I608-D612 PolarHBondContact O-N 2.69Å |
| 609 | D | 74.6 | Confident | 78.4 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 66% | 0.658 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -34.9 | 178.4 | -59.3 | -23 | 0 | 0 | 0 | 112.5 | P605 L611 | P605-D609 PolarHBondContact O-N 2.87Å; D609-L611 VanDerWaalsContact C-N 3.33Å |
| 610 | L | 77.8 | Confident | 78.1 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76.2 | -19.6 | 179.5 | -176.6 | 61.5 | 0 | 0 | 0 | 113.6 | R606 I608 A630 | R606-L610 WeakPolarHBondContact O-CB 3.22Å; R606-L610 PolarHBondContact O-N 2.77Å; R606-L610 VanDerWaalsContact O-N 3.11Å; I608-L610 VanDerWaalsContact C-N 3.28Å; I608-L610 PolarHBondContact O-N 2.68Å; L610-A630 HydrophobicContact CD2-CB 3.99Å; L610-A630 WeakPolarHBondContact CD2-O 3.39Å |
| 611 | L | 75.4 | Confident | 77.8 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -112.5 | 7.2 | 179.9 | -62.3 | 174.7 | 0 | 0 | 0 | 112.5 | L598 V607 I608 D609 Q614 L619 L639 | L598-L611 HydrophobicContact CD1-CB 3.79Å; L598-L611 HydrophobicContact CD1-CD1 3.86Å; L598-L611 HydrophobicContact CD1-CG 4.47Å; L598-L611 HydrophobicContact CD2-CD1 4.39Å; V607-L611 HydrophobicContact CG1-CD1 3.91Å; V607-L611 WeakPolarHBondContact O-CB 3.33Å; V607-L611 VanDerWaalsContact O-CG 3.31Å; V607-L611 WeakPolarHBondContact O-CG 3.29Å; V607-L611 PolarHBondContact O-N 2.88Å; I608-L611 CarbonylContact O-C 3.53Å; I608-L611 PolarHBondContact O-N 3.13Å; I608-L611 VanDerWaalsContact O-N 3.15Å; D609-L611 VanDerWaalsContact C-N 3.33Å; L611-Q614 HydrophobicContact CD2-CG 4.43Å; L611-Q614 VanDerWaalsContact O-CB 3.28Å; L611-Q614 WeakPolarHBondContact O-CB 3.27Å; L611-Q614 WeakPolarHBondContact O-CG 3.17Å; L611-Q614 PolarHBondContact O-N 2.86Å; L611-L619 HydrophobicContact CD1-CD1 4.37Å; L611-L619 HydrophobicContact CD2-CD1 4.46Å; L611-L639 HydrophobicContact CD1-CD2 3.46Å; L611-L639 VanDerWaalsContact CD1-CD2 3.46Å |
| 612 | D | 76.1 | Confident | 77.6 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 148.1 | 170.3 | -172.4 | 26.5 | 0 | 0 | 0 | 110.6 | I608 Q614 | I608-D612 PolarHBondContact O-N 2.69Å; D612-Q614 PolarHBondContact O-N 3.49Å; D612-Q614 VanDerWaalsContact O-N 3.11Å |
| 613 | G | 71.9 | Confident | 77.3 | Confident | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | P591 | P591-G613 WeakPolarHBondContact CG-O 3.37Š|
| 614 | Q | 77.1 | Confident | 76.9 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | trans | -81.4 | 123.3 | 177 | -59.6 | -57.8 | -60.4 | 0 | 0 | 111.9 | P591 V594 L611 D612 | P591-Q614 WeakPolarHBondContact CA-O 3.21Å; V594-Q614 WeakPolarHBondContact CB-O 3.3Å; L611-Q614 HydrophobicContact CD2-CG 4.43Å; L611-Q614 VanDerWaalsContact O-CB 3.28Å; L611-Q614 WeakPolarHBondContact O-CB 3.27Å; L611-Q614 WeakPolarHBondContact O-CG 3.17Å; L611-Q614 PolarHBondContact O-N 2.86Å; D612-Q614 PolarHBondContact O-N 3.49Å; D612-Q614 VanDerWaalsContact O-N 3.11Å | ||
| 615 | D | 78.2 | Confident | 76.4 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | trans | -79.1 | 171.3 | 173.1 | 73.3 | 13.2 | 0 | 0 | 0 | 112.8 | P591 A617 N618 L619 | P591-D615 HydrophobicContact CG-CB 4.23Å; D615-A617 VanDerWaalsContact C-N 3.33Å; D615-A617 PolarHBondContact O-N 3.38Å; D615-A617 PolarHBondContact OD1-N 2.96Å; D615-N618 VanDerWaalsContact CG-ND2 3.34Å; D615-N618 WeakPolarHBondContact OD1-CB 3.38Å; D615-N618 PolarHBondContact OD1-N 3.01Å; D615-N618 PolarHBondContact OD1-ND2 3.45Å; D615-N618 PolarHBondContact OD2-ND2 3Å; D615-L619 WeakPolarHBondContact O-CB 3.43Å; D615-L619 PolarHBondContact O-N 3.19Å | ||
| 616 | G | 75.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S589 L619 F620 | S589-G616 PolarHBondContact O-N 3.16Å; G616-L619 PolarHBondContact O-N 3.49Å; G616-F620 WeakPolarHBondContact O-CB 3.43Å; G616-F620 WeakPolarHBondContact O-CD2 3.44Å; G616-F620 PolarHBondContact O-N 3.03Å |
| 617 | A | 73.3 | Confident | 76.1 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E587 D615 F620 S621 | E587-A617 HydrophobicContact CG-CB 4.19Å; E587-A617 WeakPolarHBondContact O-CB 3.33Å; E587-A617 PolarHBondContact O-N 3.18Å; E587-A617 VanDerWaalsContact O-N 3.12Å; D615-A617 VanDerWaalsContact C-N 3.33Å; D615-A617 PolarHBondContact O-N 3.38Å; D615-A617 PolarHBondContact OD1-N 2.96Å; A617-F620 PolarHBondContact O-N 2.99Å; A617-S621 WeakPolarHBondContact O-CB 3.49Å; A617-S621 PolarHBondContact O-N 3.49Å |
| 618 | N | 73.9 | Confident | 76.4 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.5 | -74.3 | -73.5 | 0 | 0 | 0 | 110.4 | D615 F620 S621 L622 | D615-N618 VanDerWaalsContact CG-ND2 3.34Å; D615-N618 WeakPolarHBondContact OD1-CB 3.38Å; D615-N618 PolarHBondContact OD1-N 3.01Å; D615-N618 PolarHBondContact OD1-ND2 3.45Å; D615-N618 PolarHBondContact OD2-ND2 3Å; N618-F620 VanDerWaalsContact C-N 3.34Å; N618-F620 PolarHBondContact O-N 3.44Å; N618-S621 WeakPolarHBondContact O-CA 3.48Å; N618-S621 WeakPolarHBondContact O-CB 3.33Å; N618-S621 PolarHBondContact O-N 3.35Å; N618-S621 PolarHBondContact O-OG 2.98Å; N618-L622 PolarHBondContact O-N 3Å |
| 619 | L | 80.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 178.9 | -173.7 | 59.5 | 0 | 0 | 0 | 113 | I585 V594 L611 D615 G616 S621 L622 L627 L643 | I585-L619 HydrophobicContact CD1-CD2 4.17Å; V594-L619 HydrophobicContact CG1-CD2 3.54Å; V594-L619 HydrophobicContact CG2-CD2 4.49Å; L611-L619 HydrophobicContact CD1-CD1 4.37Å; L611-L619 HydrophobicContact CD2-CD1 4.46Å; D615-L619 WeakPolarHBondContact O-CB 3.43Å; D615-L619 PolarHBondContact O-N 3.19Å; G616-L619 PolarHBondContact O-N 3.49Å; L619-S621 VanDerWaalsContact C-N 3.31Å; L619-L622 HydrophobicContact CD1-CD1 4.24Å; L619-L627 HydrophobicContact CD1-CD2 4.12Å; L619-L643 HydrophobicContact CD1-CD1 3.88Å; L619-L643 HydrophobicContact CD2-CD1 4.45Å; L619-L643 HydrophobicContact CD2-CD2 3.88Å; L619-L643 HydrophobicContact CG-CD1 3.84Å; L619-L643 HydrophobicContact CG-CD2 3.79Å; L619-L643 HydrophobicContact CG-CG 4.47Å |
| 620 | F | 79.2 | Confident | 75.4 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.9 | -13.8 | 172.6 | -75.7 | -57.7 | 0 | 0 | 0 | 114.2 | I585 G616 A617 N618 L643 Q646 K647 | I585-F620 HydrophobicContact CD1-CE2 4.43Å; I585-F620 HydrophobicContact CD1-CZ 4.08Å; I585-F620 HydrophobicContact CG1-CE2 4.4Å; I585-F620 HydrophobicContact CG1-CZ 4.01Å; G616-F620 WeakPolarHBondContact O-CB 3.43Å; G616-F620 WeakPolarHBondContact O-CD2 3.44Å; G616-F620 PolarHBondContact O-N 3.03Å; A617-F620 PolarHBondContact O-N 2.99Å; N618-F620 VanDerWaalsContact C-N 3.34Å; N618-F620 PolarHBondContact O-N 3.44Å; F620-L643 HydrophobicContact CD1-CB 4.37Å; F620-L643 HydrophobicContact CD1-CD2 3.93Å; F620-L643 HydrophobicContact CE1-CB 4.21Å; F620-L643 HydrophobicContact CE1-CD2 3.63Å; F620-L643 WeakPolarHBondContact CE1-O 3.36Å; F620-L643 HydrophobicContact CZ-CD2 4.18Å; F620-Q646 HydrophobicContact CE1-CB 4.01Å; F620-Q646 HydrophobicContact CZ-CB 3.8Å; F620-K647 HydrophobicContact CD1-CB 4.09Å; F620-K647 HydrophobicContact CD1-CD 4.1Å; F620-K647 HydrophobicContact CD1-CG 4.24Å; F620-K647 HydrophobicContact CE1-CB 3.98Å; F620-K647 PolarHBondContact O-NZ 2.88Å |
| 621 | S | 76.4 | Confident | 75.2 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 60% | 0.601 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -83.2 | -27.9 | 174 | 84.5 | 0 | 0 | 0 | 0 | 113 | A617 N618 L619 S623 | A617-S621 WeakPolarHBondContact O-CB 3.49Å; A617-S621 PolarHBondContact O-N 3.49Å; N618-S621 WeakPolarHBondContact O-CA 3.48Å; N618-S621 WeakPolarHBondContact O-CB 3.33Å; N618-S621 PolarHBondContact O-N 3.35Å; N618-S621 PolarHBondContact O-OG 2.98Å; L619-S621 VanDerWaalsContact C-N 3.31Å; S621-S623 PolarHBondContact O-N 3.41Å |
| 622 | L | 76.5 | Confident | 75.1 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 27% | 0.272 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -62.6 | 131 | -176.4 | -68.6 | 176.9 | 0 | 0 | 0 | 111.9 | N618 L619 H626 L627 | N618-L622 PolarHBondContact O-N 3Å; L619-L622 HydrophobicContact CD1-CD1 4.24Å; L622-H626 HydrophobicContact CD2-CB 4.45Å; L622-L627 HydrophobicContact CB-CD1 4.39Å; L622-L627 HydrophobicContact CB-CD2 3.84Å; L622-L627 HydrophobicContact CB-CG 3.91Å; L622-L627 HydrophobicContact CD1-CD2 3.65Å; L622-L627 HydrophobicContact CG-CD2 4.4Å |
| 623 | S | 76.4 | Confident | 75 | Confident | 46 Ų | 46 | 59 Ų | 59 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | trans | -71.7 | 155.5 | 177.3 | 80.8 | 0 | 0 | 0 | 0 | 111.1 | S621 L625 H626 L627 | S621-S623 PolarHBondContact O-N 3.41Å; S623-L625 PolarHBondContact O-N 2.9Å; S623-L625 VanDerWaalsContact O-N 3.16Å; S623-L625 PolarHBondContact OG-N 3.31Å; S623-H626 PolarHBondContact O-N 3.11Å; S623-H626 VanDerWaalsContact O-N 3.1Å; S623-H626 VanDerWaalsContact OG-CG 3.27Å; S623-H626 PolarHBondContact OG-N 2.85Å; S623-H626 VanDerWaalsContact OG-N 3.12Å; S623-H626 PolarHBondContact OG-ND1 3.49Å; S623-L627 PolarHBondContact O-N 3.16Å | ||
| 624 | K | 77.3 | Confident | 75.2 | Confident | 97 Ų | 97 | 62.8 Ų | 62.8 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -50.7 | -39.7 | 171.7 | -174.2 | 178.8 | 176.5 | -177.7 | 0 | 111.9 | Q628 Y640 | K624-Q628 HydrophobicContact CG-CG 4.45Å; K624-Q628 WeakPolarHBondContact O-CB 3.5Å; K624-Q628 VanDerWaalsContact O-CG 3.27Å; K624-Q628 WeakPolarHBondContact O-CG 3.43Å; K624-Q628 PolarHBondContact O-N 3Å; K624-Y640 HydrophobicContact CB-CD1 3.74Å; K624-Y640 HydrophobicContact CB-CD2 3.68Å; K624-Y640 HydrophobicContact CB-CE1 3.89Å; K624-Y640 HydrophobicContact CB-CE2 3.83Å; K624-Y640 HydrophobicContact CB-CG 3.62Å; K624-Y640 HydrophobicContact CD-CD1 3.77Å; K624-Y640 HydrophobicContact CD-CE1 4.05Å; K624-Y640 HydrophobicContact CD-CG 4.36Å; K624-Y640 HydrophobicContact CG-CD1 3.68Å; K624-Y640 HydrophobicContact CG-CD2 4.33Å; K624-Y640 HydrophobicContact CG-CE1 4.19Å; K624-Y640 HydrophobicContact CG-CG 3.75Å |
| 625 | L | 71 | Confident | 75.4 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 179.8 | -175.7 | 63.7 | 0 | 0 | 0 | 111.6 | S623 Q628 Q629 | S623-L625 PolarHBondContact O-N 2.9Å; S623-L625 VanDerWaalsContact O-N 3.16Å; S623-L625 PolarHBondContact OG-N 3.31Å; L625-Q628 PolarHBondContact O-N 3.36Å; L625-Q629 WeakPolarHBondContact O-CB 3.34Å; L625-Q629 VanDerWaalsContact O-CG 3.29Å; L625-Q629 WeakPolarHBondContact O-CG 3.3Å; L625-Q629 PolarHBondContact O-N 2.94Å; L625-Q629 PolarHBondContact O-OE1 2.9Å |
| 626 | H | 73.3 | Confident | 75.4 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 179.1 | -60.7 | 160.2 | 0 | 0 | 0 | 111.8 | L622 S623 Q628 Q629 A630 | L622-H626 HydrophobicContact CD2-CB 4.45Å; S623-H626 PolarHBondContact O-N 3.11Å; S623-H626 VanDerWaalsContact O-N 3.1Å; S623-H626 VanDerWaalsContact OG-CG 3.27Å; S623-H626 PolarHBondContact OG-N 2.85Å; S623-H626 VanDerWaalsContact OG-N 3.12Å; S623-H626 PolarHBondContact OG-ND1 3.49Å; H626-Q628 VanDerWaalsContact C-N 3.34Å; H626-Q628 PolarHBondContact O-N 2.89Å; H626-Q629 PolarHBondContact O-N 2.83Å; H626-A630 WeakPolarHBondContact O-CB 3.46Å; H626-A630 PolarHBondContact O-N 3.05Å |
| 627 | L | 76 | Confident | 75.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 174.6 | -66 | 173.9 | 0 | 0 | 0 | 111.7 | L619 L622 S623 Q629 C631 G636 L639 Y640 L643 | L619-L627 HydrophobicContact CD1-CD2 4.12Å; L622-L627 HydrophobicContact CB-CD1 4.39Å; L622-L627 HydrophobicContact CB-CD2 3.84Å; L622-L627 HydrophobicContact CB-CG 3.91Å; L622-L627 HydrophobicContact CD1-CD2 3.65Å; L622-L627 HydrophobicContact CG-CD2 4.4Å; S623-L627 PolarHBondContact O-N 3.16Å; L627-Q629 VanDerWaalsContact C-N 3.33Å; L627-C631 VanDerWaalsContact O-CB 3.28Å; L627-C631 WeakPolarHBondContact O-CB 3.37Å; L627-C631 PolarHBondContact O-N 3.41Å; L627-G636 WeakPolarHBondContact O-CA 3.48Å; L627-L639 HydrophobicContact CD1-CG 4.45Å; L627-L639 HydrophobicContact CD2-CD2 3.96Å; L627-Y640 HydrophobicContact CD1-CD2 4.05Å; L627-Y640 HydrophobicContact CD1-CG 4.49Å; L627-L643 HydrophobicContact CD1-CD1 3.7Å |
| 628 | Q | 83.8 | Confident | 75.9 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.1 | -23.4 | 175.1 | -73 | -173.7 | -62.8 | 0 | 0 | 114 | K624 L625 H626 G632 R633 | K624-Q628 HydrophobicContact CG-CG 4.45Å; K624-Q628 WeakPolarHBondContact O-CB 3.5Å; K624-Q628 VanDerWaalsContact O-CG 3.27Å; K624-Q628 WeakPolarHBondContact O-CG 3.43Å; K624-Q628 PolarHBondContact O-N 3Å; L625-Q628 PolarHBondContact O-N 3.36Å; H626-Q628 VanDerWaalsContact C-N 3.34Å; H626-Q628 PolarHBondContact O-N 2.89Å; Q628-G632 WeakPolarHBondContact CA-O 3.25Å; Q628-G632 CarbonylContact O-C 3.56Å; Q628-G632 VanDerWaalsContact O-CA 3.23Å; Q628-G632 WeakPolarHBondContact O-CA 3.09Å; Q628-G632 PolarHBondContact O-N 2.83Å; Q628-R633 WeakPolarHBondContact CG-O 3.4Å; Q628-R633 PolarHBondContact NE2-O 2.9Å; Q628-R633 PolarHBondContact O-N 2.86Å |
| 629 | Q | 68.7 | Low | 76.4 | Confident | 133 Ų | 133 | 60.6 Ų | 60.6 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -80.5 | -40.9 | 173.5 | -75.6 | 169.3 | -37.5 | 0 | 0 | 112 | L625 H626 L627 | L625-Q629 WeakPolarHBondContact O-CB 3.34Å; L625-Q629 VanDerWaalsContact O-CG 3.29Å; L625-Q629 WeakPolarHBondContact O-CG 3.3Å; L625-Q629 PolarHBondContact O-N 2.94Å; L625-Q629 PolarHBondContact O-OE1 2.9Å; H626-Q629 PolarHBondContact O-N 2.83Å; L627-Q629 VanDerWaalsContact C-N 3.33Å |
| 630 | A | 66.1 | Low | 76.5 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.2 | -55.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L610 H626 | L610-A630 HydrophobicContact CD2-CB 3.99Å; L610-A630 WeakPolarHBondContact CD2-O 3.39Å; H626-A630 WeakPolarHBondContact O-CB 3.46Å; H626-A630 PolarHBondContact O-N 3.05Å |
| 631 | C | 73 | Confident | 76.7 | Confident | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -89.2 | 0.7 | -173.1 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | V607 L627 E635 | V607-C631 HydrophobicContact CG1-CB 4.4Å; V607-C631 HydrophobicContact CG2-CB 3.75Å; L627-C631 VanDerWaalsContact O-CB 3.28Å; L627-C631 WeakPolarHBondContact O-CB 3.37Å; L627-C631 PolarHBondContact O-N 3.41Å; C631-E635 HydrophobicContact CB-CB 4.45Å |
| 632 | G | 74.4 | Confident | 77 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | 80.4 | 162.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q628 D634 G636 | Q628-G632 WeakPolarHBondContact CA-O 3.25Å; Q628-G632 CarbonylContact O-C 3.56Å; Q628-G632 VanDerWaalsContact O-CA 3.23Å; Q628-G632 WeakPolarHBondContact O-CA 3.09Å; Q628-G632 PolarHBondContact O-N 2.83Å; G632-D634 VanDerWaalsContact C-N 3.31Å; G632-D634 PolarHBondContact O-N 3.33Å; G632-G636 WeakPolarHBondContact O-CA 3.24Å; G632-G636 PolarHBondContact O-N 2.95Å | ||
| 633 | R | 72.5 | Confident | 77.3 | Confident | 194 Ų | 194 | 62.7 Ų | 62.7 | 73% | 0.732 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -42.1 | -169 | 177.7 | 177.3 | -92.5 | -170.1 | -4.4 | 112.9 | Q628 G637 | Q628-R633 WeakPolarHBondContact CG-O 3.4Å; Q628-R633 PolarHBondContact NE2-O 2.9Å; Q628-R633 PolarHBondContact O-N 2.86Å; R633-G637 PolarHBondContact O-N 2.96Å |
| 634 | D | 77.5 | Confident | 77.4 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 68% | 0.684 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -91.7 | -51.7 | -168.9 | -52.4 | -59.2 | 0 | 0 | 0 | 112 | G632 G636 G637 Y638 | G632-D634 VanDerWaalsContact C-N 3.31Å; G632-D634 PolarHBondContact O-N 3.33Å; D634-G636 PolarHBondContact O-N 2.89Å; D634-G637 PolarHBondContact O-N 3.25Å; D634-G637 VanDerWaalsContact O-N 3.17Å; D634-Y638 WeakPolarHBondContact O-CB 3.39Å; D634-Y638 PolarHBondContact O-N 2.87Å |
| 635 | E | 80.1 | Confident | 77.5 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 173.9 | -65.4 | -158.4 | 90 | 0 | 0 | 111.7 | S604 V607 C631 G637 Y638 L639 | S604-E635 VanDerWaalsContact CB-OE1 3.32Å; S604-E635 WeakPolarHBondContact CB-OE1 3.39Å; S604-E635 WeakPolarHBondContact CB-OE2 3.44Å; S604-E635 PolarHBondContact N-OE1 2.96Å; S604-E635 PolarHBondContact OG-OE1 3.36Å; S604-E635 PolarHBondContact OG-OE2 2.67Å; V607-E635 HydrophobicContact CG2-CB 4.18Å; V607-E635 WeakPolarHBondContact CG2-OE2 3.25Å; C631-E635 HydrophobicContact CB-CB 4.45Å; E635-G637 VanDerWaalsContact C-N 3.33Å; E635-G637 PolarHBondContact O-N 2.91Å; E635-Y638 PolarHBondContact O-N 2.85Å; E635-L639 VanDerWaalsContact O-CB 3.24Å; E635-L639 WeakPolarHBondContact O-CB 3.31Å; E635-L639 PolarHBondContact O-N 2.85Å |
| 636 | G | 78 | Confident | 77.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L627 G632 D634 Y640 | L627-G636 WeakPolarHBondContact O-CA 3.48Å; G632-G636 WeakPolarHBondContact O-CA 3.24Å; G632-G636 PolarHBondContact O-N 2.95Å; D634-G636 PolarHBondContact O-N 2.89Å; G636-Y640 WeakPolarHBondContact O-CB 3.38Å; G636-Y640 PolarHBondContact O-N 2.99Å |
| 637 | G | 77 | Confident | 77.8 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R633 D634 E635 S641 | R633-G637 PolarHBondContact O-N 2.96Å; D634-G637 PolarHBondContact O-N 3.25Å; D634-G637 VanDerWaalsContact O-N 3.17Å; E635-G637 VanDerWaalsContact C-N 3.33Å; E635-G637 PolarHBondContact O-N 2.91Å; G637-S641 WeakPolarHBondContact O-CB 3.12Å; G637-S641 PolarHBondContact O-N 3.11Å; G637-S641 PolarHBondContact O-OG 3.5Å |
| 638 | Y | 83.3 | Confident | 77.3 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 48% | 0.475 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 174 | -174.2 | -113.4 | 0 | 0 | 0 | 111.3 | F603 D634 E635 S641 Q642 | F603-Y638 HydrophobicContact CD1-CD1 4.44Å; F603-Y638 AromaticContact CE1-CD1 3.54Å; F603-Y638 HydrophobicContact CE1-CD1 3.54Å; F603-Y638 HydrophobicContact CE1-CE1 4.23Å; F603-Y638 AromaticContact CZ-CD1 3.65Å; F603-Y638 HydrophobicContact CZ-CD1 3.65Å; F603-Y638 AromaticContact CZ-CE1 3.99Å; F603-Y638 HydrophobicContact CZ-CE1 3.99Å; D634-Y638 WeakPolarHBondContact O-CB 3.39Å; D634-Y638 PolarHBondContact O-N 2.87Å; E635-Y638 PolarHBondContact O-N 2.85Å; Y638-S641 WeakPolarHBondContact O-CA 3.33Å; Y638-S641 WeakPolarHBondContact O-CB 3.3Å; Y638-S641 PolarHBondContact O-N 2.66Å; Y638-S641 VanDerWaalsContact O-N 3.08Å; Y638-Q642 HydrophobicContact CD1-CG 4.41Å; Y638-Q642 HydrophobicContact CE1-CG 4.12Å; Y638-Q642 WeakPolarHBondContact O-CG 3.46Å; Y638-Q642 PolarHBondContact O-N 3.31Å; Y638-Q642 PolarHBondContact OH-NE2 3.05Å |
| 639 | L | 83 | Confident | 76.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 176 | 179.3 | 55.8 | 0 | 0 | 0 | 112.1 | W597 L598 F603 V607 L611 L627 E635 S641 Q642 L643 | W597-L639 HydrophobicContact CH2-CD1 4.28Å; W597-L639 HydrophobicContact CZ3-CD1 3.82Å; L598-L639 HydrophobicContact CD2-CD1 3.66Å; F603-L639 HydrophobicContact CE1-CB 3.62Å; F603-L639 HydrophobicContact CE1-CD1 4.13Å; F603-L639 HydrophobicContact CE1-CG 4.38Å; F603-L639 HydrophobicContact CE2-CD1 4.06Å; F603-L639 HydrophobicContact CZ-CB 3.88Å; F603-L639 HydrophobicContact CZ-CD1 3.72Å; F603-L639 HydrophobicContact CZ-CG 4.39Å; V607-L639 HydrophobicContact CG1-CD2 4.41Å; L611-L639 HydrophobicContact CD1-CD2 3.46Å; L611-L639 VanDerWaalsContact CD1-CD2 3.46Å; L627-L639 HydrophobicContact CD1-CG 4.45Å; L627-L639 HydrophobicContact CD2-CD2 3.96Å; E635-L639 VanDerWaalsContact O-CB 3.24Å; E635-L639 WeakPolarHBondContact O-CB 3.31Å; E635-L639 PolarHBondContact O-N 2.85Å; L639-S641 PolarHBondContact O-N 2.98Å; L639-Q642 PolarHBondContact O-N 3.26Å; L639-L643 HydrophobicContact CD1-CD1 3.95Å; L639-L643 HydrophobicContact CD1-CG 4.14Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 WeakPolarHBondContact O-CB 3.44Å; L639-L643 WeakPolarHBondContact O-CG 3.46Å; L639-L643 PolarHBondContact O-N 3.49Å |
| 640 | Y | 83.8 | Confident | 75.9 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.4 | -36.1 | 174.5 | -179.6 | -98.6 | 0 | 0 | 0 | 112.2 | K624 L627 G636 L644 | K624-Y640 HydrophobicContact CB-CD1 3.74Å; K624-Y640 HydrophobicContact CB-CD2 3.68Å; K624-Y640 HydrophobicContact CB-CE1 3.89Å; K624-Y640 HydrophobicContact CB-CE2 3.83Å; K624-Y640 HydrophobicContact CB-CG 3.62Å; K624-Y640 HydrophobicContact CD-CD1 3.77Å; K624-Y640 HydrophobicContact CD-CE1 4.05Å; K624-Y640 HydrophobicContact CD-CG 4.36Å; K624-Y640 HydrophobicContact CG-CD1 3.68Å; K624-Y640 HydrophobicContact CG-CD2 4.33Å; K624-Y640 HydrophobicContact CG-CE1 4.19Å; K624-Y640 HydrophobicContact CG-CG 3.75Å; L627-Y640 HydrophobicContact CD1-CD2 4.05Å; L627-Y640 HydrophobicContact CD1-CG 4.49Å; G636-Y640 WeakPolarHBondContact O-CB 3.38Å; G636-Y640 PolarHBondContact O-N 2.99Å; Y640-L644 WeakPolarHBondContact O-CB 3.44Å; Y640-L644 PolarHBondContact O-N 3.12Å |
| 641 | S | 82.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 42% | 0.42 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.5 | -41.6 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | G637 Y638 L639 L644 V645 | G637-S641 WeakPolarHBondContact O-CB 3.12Å; G637-S641 PolarHBondContact O-N 3.11Å; G637-S641 PolarHBondContact O-OG 3.5Å; Y638-S641 WeakPolarHBondContact O-CA 3.33Å; Y638-S641 WeakPolarHBondContact O-CB 3.3Å; Y638-S641 PolarHBondContact O-N 2.66Å; Y638-S641 VanDerWaalsContact O-N 3.08Å; L639-S641 PolarHBondContact O-N 2.98Å; S641-L644 PolarHBondContact O-N 3.06Å; S641-V645 WeakPolarHBondContact O-CG2 3.38Å; S641-V645 PolarHBondContact O-N 3.2Å; S641-V645 VanDerWaalsContact O-N 3.16Å |
| 642 | Q | 82.3 | Confident | 74.1 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 173 | -67.8 | -63.5 | -17.6 | 0 | 0 | 111.6 | W597 F603 Y638 L639 L644 V645 Q646 | W597-Q642 HydrophobicContact CH2-CB 3.72Å; W597-Q642 HydrophobicContact CZ2-CB 4Å; F603-Q642 HydrophobicContact CZ-CG 4.31Å; Y638-Q642 HydrophobicContact CD1-CG 4.41Å; Y638-Q642 HydrophobicContact CE1-CG 4.12Å; Y638-Q642 WeakPolarHBondContact O-CG 3.46Å; Y638-Q642 PolarHBondContact O-N 3.31Å; Y638-Q642 PolarHBondContact OH-NE2 3.05Å; L639-Q642 PolarHBondContact O-N 3.26Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; Q642-L644 PolarHBondContact O-N 3.19Å; Q642-V645 WeakPolarHBondContact O-CB 3.28Å; Q642-V645 PolarHBondContact O-N 3.18Å; Q642-Q646 WeakPolarHBondContact O-CG 3.34Å; Q642-Q646 PolarHBondContact O-N 3.23Å |
| 643 | L | 83.3 | Confident | 72.6 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.9 | -72.7 | 166.4 | 0 | 0 | 0 | 111.3 | I585 W597 L619 F620 L627 L639 V645 Q646 K647 | I585-L643 HydrophobicContact CD1-CD2 3.62Å; W597-L643 HydrophobicContact CH2-CD2 4.2Å; W597-L643 HydrophobicContact CH2-CG 4.32Å; W597-L643 HydrophobicContact CZ3-CD2 4.27Å; L619-L643 HydrophobicContact CD1-CD1 3.88Å; L619-L643 HydrophobicContact CD2-CD1 4.45Å; L619-L643 HydrophobicContact CD2-CD2 3.88Å; L619-L643 HydrophobicContact CG-CD1 3.84Å; L619-L643 HydrophobicContact CG-CD2 3.79Å; L619-L643 HydrophobicContact CG-CG 4.47Å; F620-L643 HydrophobicContact CD1-CB 4.37Å; F620-L643 HydrophobicContact CD1-CD2 3.93Å; F620-L643 HydrophobicContact CE1-CB 4.21Å; F620-L643 HydrophobicContact CE1-CD2 3.63Å; F620-L643 WeakPolarHBondContact CE1-O 3.36Å; F620-L643 HydrophobicContact CZ-CD2 4.18Å; L627-L643 HydrophobicContact CD1-CD1 3.7Å; L639-L643 HydrophobicContact CD1-CD1 3.95Å; L639-L643 HydrophobicContact CD1-CG 4.14Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 WeakPolarHBondContact O-CB 3.44Å; L639-L643 WeakPolarHBondContact O-CG 3.46Å; L639-L643 PolarHBondContact O-N 3.49Å; L643-V645 VanDerWaalsContact C-N 3.26Å; L643-V645 PolarHBondContact O-N 2.96Å; L643-Q646 PolarHBondContact O-N 3.11Å; L643-K647 WeakPolarHBondContact O-CB 3.45Å; L643-K647 PolarHBondContact O-N 3.48Å |
| 644 | L | 79 | Confident | 71.2 | Confident | 71 Ų | 71 | 74 Ų | 74 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 176.1 | -173.7 | 60.8 | 0 | 0 | 0 | 112.6 | Y640 S641 Q642 K648 | Y640-L644 WeakPolarHBondContact O-CB 3.44Å; Y640-L644 PolarHBondContact O-N 3.12Å; S641-L644 PolarHBondContact O-N 3.06Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; Q642-L644 PolarHBondContact O-N 3.19Å; L644-K648 WeakPolarHBondContact O-CG 3.08Å; L644-K648 PolarHBondContact O-N 3.18Å |
| 645 | V | 79.4 | Confident | 69.7 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.4 | -45 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | S641 Q642 L643 K648 R649 | S641-V645 WeakPolarHBondContact O-CG2 3.38Å; S641-V645 PolarHBondContact O-N 3.2Å; S641-V645 VanDerWaalsContact O-N 3.16Å; Q642-V645 WeakPolarHBondContact O-CB 3.28Å; Q642-V645 PolarHBondContact O-N 3.18Å; L643-V645 VanDerWaalsContact C-N 3.26Å; L643-V645 PolarHBondContact O-N 2.96Å; V645-K648 PolarHBondContact O-N 3.47Å; V645-R649 WeakPolarHBondContact O-CB 3.28Å; V645-R649 PolarHBondContact O-N 3.33Å; V645-R649 VanDerWaalsContact O-N 3.14Å |
| 646 | Q | 76.9 | Confident | 68.4 | Low | 19 Ų | 19 | 75.4 Ų | 75.4 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.8 | -62 | -63 | -5.6 | 0 | 0 | 111.6 | I585 W597 F620 Q642 L643 K648 R649 S650 | I585-Q646 HydrophobicContact CG1-CB 4.42Å; I585-Q646 HydrophobicContact CG1-CG 4.13Å; W597-Q646 HydrophobicContact CZ2-CG 3.67Å; F620-Q646 HydrophobicContact CE1-CB 4.01Å; F620-Q646 HydrophobicContact CZ-CB 3.8Å; Q642-Q646 WeakPolarHBondContact O-CG 3.34Å; Q642-Q646 PolarHBondContact O-N 3.23Å; L643-Q646 PolarHBondContact O-N 3.11Å; Q646-K648 VanDerWaalsContact C-N 3.3Å; Q646-K648 PolarHBondContact O-N 2.95Å; Q646-R649 CarbonylContact O-C 3.59Å; Q646-R649 WeakPolarHBondContact O-CA 3.48Å; Q646-R649 WeakPolarHBondContact O-CB 3.35Å; Q646-R649 PolarHBondContact O-N 3.07Å; Q646-S650 PolarHBondContact O-N 2.89Å; Q646-S650 PolarHBondContact O-OG 2.82Å; Q646-S650 VanDerWaalsContact O-OG 3.05Å |
| 647 | K | 72.3 | Confident | 66.9 | Low | 51 Ų | 51 | 77.2 Ų | 77.2 | 22% | 0.222 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 178.7 | -160.5 | 165.1 | -169 | 167.1 | 0 | 112.5 | F620 L643 S650 F652 | F620-K647 HydrophobicContact CD1-CB 4.09Å; F620-K647 HydrophobicContact CD1-CD 4.1Å; F620-K647 HydrophobicContact CD1-CG 4.24Å; F620-K647 HydrophobicContact CE1-CB 3.98Å; F620-K647 PolarHBondContact O-NZ 2.88Å; L643-K647 WeakPolarHBondContact O-CB 3.45Å; L643-K647 PolarHBondContact O-N 3.48Å; K647-S650 PolarHBondContact O-OG 3.01Å; K647-F652 HydrophobicContact CD-CD1 4.14Å; K647-F652 HydrophobicContact CD-CG 4.44Å; K647-F652 HydrophobicContact CG-CB 3.65Å; K647-F652 HydrophobicContact CG-CD1 3.91Å; K647-F652 HydrophobicContact CG-CG 3.85Å; K647-F652 PolarHBondContact O-N 3.04Å |
| 648 | K | 65.3 | Low | 65.4 | Low | 164 Ų | 164 | 80.7 Ų | 80.7 | 71% | 0.713 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.7 | -29.1 | 170.6 | -74.1 | 178.2 | 179.3 | -176.5 | 0 | 113.4 | L644 V645 Q646 | L644-K648 WeakPolarHBondContact O-CG 3.08Å; L644-K648 PolarHBondContact O-N 3.18Å; V645-K648 PolarHBondContact O-N 3.47Å; Q646-K648 VanDerWaalsContact C-N 3.3Å; Q646-K648 PolarHBondContact O-N 2.95Å |
| 649 | R | 63.5 | Low | 63.9 | Low | 187 Ų | 187 | 80.5 Ų | 80.5 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -86.1 | -28.4 | -177.9 | -169.1 | 176.3 | -176.3 | 135.8 | 4.5 | 113.5 | V645 Q646 | V645-R649 WeakPolarHBondContact O-CB 3.28Å; V645-R649 PolarHBondContact O-N 3.33Å; V645-R649 VanDerWaalsContact O-N 3.14Å; Q646-R649 CarbonylContact O-C 3.59Å; Q646-R649 WeakPolarHBondContact O-CA 3.48Å; Q646-R649 WeakPolarHBondContact O-CB 3.35Å; Q646-R649 PolarHBondContact O-N 3.07Å |
| 650 | S | 61.3 | Low | 62.2 | Low | 53 Ų | 53 | 85.5 Ų | 85.5 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.1 | 177.2 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | Q646 K647 | Q646-S650 PolarHBondContact O-N 2.89Å; Q646-S650 PolarHBondContact O-OG 2.82Å; Q646-S650 VanDerWaalsContact O-OG 3.05Å; K647-S650 PolarHBondContact O-OG 3.01Å |
| 651 | G | 53.7 | Low | 60.6 | Low | 58 Ų | 58 | 87.6 Ų | 87.6 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 15.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | R653 | G651-R653 PolarHBondContact O-N 2.87Š|
| 652 | F | 47.3 | Very low | 59.2 | Low | 59 Ų | 59 | 87.6 Ų | 87.6 | 26% | 0.259 | 45% | 0.452 | S | S | . | . | trans | -58.3 | 129.5 | -175.5 | -174.1 | -80.3 | 0 | 0 | 0 | 112.5 | E587 K647 T654 | E587-F652 HydrophobicContact CG-CD2 4.48Å; E587-F652 HydrophobicContact CG-CE2 4.21Å; E587-F652 WeakPolarHBondContact OE2-CD2 3.14Å; E587-F652 WeakPolarHBondContact OE2-CE2 3.25Å; K647-F652 HydrophobicContact CD-CD1 4.14Å; K647-F652 HydrophobicContact CD-CG 4.44Å; K647-F652 HydrophobicContact CG-CB 3.65Å; K647-F652 HydrophobicContact CG-CD1 3.91Å; K647-F652 HydrophobicContact CG-CG 3.85Å; K647-F652 PolarHBondContact O-N 3.04Å; F652-T654 HydrophobicContact CD1-CG2 4.3Å; F652-T654 HydrophobicContact CE1-CG2 3.68Å | ||
| 653 | R | 43.3 | Very low | 57.9 | Low | 214 Ų | 214 | 89.9 Ų | 89.9 | 81% | 0.808 | 46% | 0.464 | S | S | * | . | trans | -109.8 | 120.8 | 170.9 | -63.4 | -175.5 | -178.6 | -164.7 | 1.1 | 109.4 | G651 H655 | G651-R653 PolarHBondContact O-N 2.87Å; R653-H655 PolarHBondContact O-N 3.27Å | ||
| 654 | T | 42.8 | Very low | 56.5 | Low | 78 Ų | 78 | 94.5 Ų | 94.5 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | trans | -67 | 124.3 | 167.7 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | F652 T656 G657 | F652-T654 HydrophobicContact CD1-CG2 4.3Å; F652-T654 HydrophobicContact CE1-CG2 3.68Å; T654-T656 WeakPolarHBondContact CB-OG1 3.49Å; T654-T656 PolarHBondContact O-N 2.99Å; T654-T656 PolarHBondContact O-OG1 3.15Å; T654-T656 PolarHBondContact OG1-OG1 3.29Å; T654-T656 VanDerWaalsContact OG1-OG1 3.04Å; T654-G657 PolarHBondContact O-N 2.89Å | ||
| 655 | H | 45.8 | Very low | 55.1 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 66% | 0.662 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.8 | 178.3 | -96.6 | -90.5 | 0 | 0 | 0 | 114.4 | R653 G657 D658 E659 | R653-H655 PolarHBondContact O-N 3.27Å; H655-G657 PolarHBondContact O-N 3.33Å; H655-D658 PolarHBondContact O-N 2.88Å; H655-D658 VanDerWaalsContact O-N 3.08Å; H655-E659 PolarHBondContact O-N 3.04Å |
| 656 | T | 52.1 | Low | 53.8 | Low | 82 Ų | 82 | 97.6 Ų | 97.6 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -46.5 | -28.3 | 171.5 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | T654 L660 | T654-T656 WeakPolarHBondContact CB-OG1 3.49Å; T654-T656 PolarHBondContact O-N 2.99Å; T654-T656 PolarHBondContact O-OG1 3.15Å; T654-T656 PolarHBondContact OG1-OG1 3.29Å; T654-T656 VanDerWaalsContact OG1-OG1 3.04Å; T656-L660 WeakPolarHBondContact O-CB 3.21Å; T656-L660 PolarHBondContact O-N 3.47Å |
| 657 | G | 47.4 | Very low | 52.6 | Low | 37 Ų | 37 | 105 Ų | 105 | 38% | 0.381 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74 | -41.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T654 H655 K661 | T654-G657 PolarHBondContact O-N 2.89Å; H655-G657 PolarHBondContact O-N 3.33Å; G657-K661 WeakPolarHBondContact O-CG 3.28Å; G657-K661 PolarHBondContact O-N 3.29Å |
| 658 | D | 44.9 | Very low | 51.5 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -95.2 | -24.8 | -176 | -64.4 | -44.8 | 0 | 0 | 0 | 112 | H655 K661 A662 | H655-D658 PolarHBondContact O-N 2.88Å; H655-D658 VanDerWaalsContact O-N 3.08Å; D658-K661 PolarHBondContact O-N 2.91Å; D658-K661 WeakPolarHBondContact OD1-CD 3.42Å; D658-K661 WeakPolarHBondContact OD1-CE 3.49Å; D658-K661 IonicContact OD1-NZ 3.37Å; D658-K661 PolarHBondContact OD1-NZ 3.5Å; D658-A662 WeakPolarHBondContact O-CB 3.24Å; D658-A662 PolarHBondContact O-N 3Å |
| 659 | E | 51.3 | Low | 50.8 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 163.3 | -71.1 | -175.9 | 127.8 | 0 | 0 | 111.6 | H655 K661 A662 I663 | H655-E659 PolarHBondContact O-N 3.04Å; E659-K661 VanDerWaalsContact C-N 3.32Å; E659-K661 PolarHBondContact O-N 3.1Å; E659-A662 PolarHBondContact O-N 2.89Å; E659-I663 WeakPolarHBondContact O-CB 3.44Å; E659-I663 VanDerWaalsContact O-CG1 3.27Å; E659-I663 WeakPolarHBondContact O-CG1 3.42Å; E659-I663 PolarHBondContact O-N 3.5Å |
| 660 | L | 47.5 | Very low | 49.9 | Very low | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 173.6 | -118.6 | 73.5 | 0 | 0 | 0 | 111.3 | T656 I663 L664 | T656-L660 WeakPolarHBondContact O-CB 3.21Å; T656-L660 PolarHBondContact O-N 3.47Å; L660-I663 PolarHBondContact O-N 3.36Å; L660-L664 VanDerWaalsContact O-CB 3.24Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 WeakPolarHBondContact O-CD1 3.2Å; L660-L664 WeakPolarHBondContact O-CG 3.47Å; L660-L664 PolarHBondContact O-N 3.48Å |
| 661 | K | 50.3 | Low | 49.3 | Very low | 125 Ų | 125 | 102.8 Ų | 102.8 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.2 | -70.9 | 174.7 | -161.7 | 156.4 | 0 | 112.3 | G657 D658 E659 L664 N665 | G657-K661 WeakPolarHBondContact O-CG 3.28Å; G657-K661 PolarHBondContact O-N 3.29Å; D658-K661 PolarHBondContact O-N 2.91Å; D658-K661 WeakPolarHBondContact OD1-CD 3.42Å; D658-K661 WeakPolarHBondContact OD1-CE 3.49Å; D658-K661 IonicContact OD1-NZ 3.37Å; D658-K661 PolarHBondContact OD1-NZ 3.5Å; E659-K661 VanDerWaalsContact C-N 3.32Å; E659-K661 PolarHBondContact O-N 3.1Å; K661-L664 PolarHBondContact O-N 2.96Å; K661-N665 WeakPolarHBondContact O-CB 3.31Å; K661-N665 PolarHBondContact O-N 3.07Å |
| 662 | A | 53.9 | Low | 48.9 | Very low | 60 Ų | 60 | 104.3 Ų | 104.3 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D658 E659 H666 | D658-A662 WeakPolarHBondContact O-CB 3.24Å; D658-A662 PolarHBondContact O-N 3Å; E659-A662 PolarHBondContact O-N 2.89Å; A662-H666 WeakPolarHBondContact O-CB 3.27Å; A662-H666 PolarHBondContact O-N 3.11Å |
| 663 | I | 53.7 | Low | 48.9 | Very low | 89 Ų | 89 | 107.7 Ų | 107.7 | 46% | 0.456 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.7 | -67.1 | 164.5 | 0 | 0 | 0 | 111.3 | E659 L660 R667 | E659-I663 WeakPolarHBondContact O-CB 3.44Å; E659-I663 VanDerWaalsContact O-CG1 3.27Å; E659-I663 WeakPolarHBondContact O-CG1 3.42Å; E659-I663 PolarHBondContact O-N 3.5Å; L660-I663 PolarHBondContact O-N 3.36Å; I663-R667 WeakPolarHBondContact O-CB 3.44Å; I663-R667 WeakPolarHBondContact O-CG 3.43Å; I663-R667 PolarHBondContact O-N 3.2Å |
| 664 | L | 53.8 | Low | 48.9 | Very low | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 178.3 | -73.4 | 167.3 | 0 | 0 | 0 | 111.9 | L660 K661 R667 R668 | L660-L664 VanDerWaalsContact O-CB 3.24Å; L660-L664 WeakPolarHBondContact O-CB 3.46Å; L660-L664 WeakPolarHBondContact O-CD1 3.2Å; L660-L664 WeakPolarHBondContact O-CG 3.47Å; L660-L664 PolarHBondContact O-N 3.48Å; K661-L664 PolarHBondContact O-N 2.96Å; L664-R667 PolarHBondContact O-N 2.72Å; L664-R668 WeakPolarHBondContact O-CB 3.36Å; L664-R668 PolarHBondContact O-N 3.28Å |
| 665 | N | 50.8 | Low | 48.9 | Very low | 100 Ų | 100 | 104.7 Ų | 104.7 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173 | -93 | 0.8 | 0 | 0 | 0 | 111.6 | K661 R667 R668 T669 | K661-N665 WeakPolarHBondContact O-CB 3.31Å; K661-N665 PolarHBondContact O-N 3.07Å; N665-R667 VanDerWaalsContact C-N 3.31Å; N665-R667 PolarHBondContact O-N 3.01Å; N665-R668 PolarHBondContact O-N 3.43Å; N665-R668 VanDerWaalsContact O-N 3.14Å; N665-T669 PolarHBondContact O-N 2.79Å; N665-T669 PolarHBondContact O-OG1 3.46Å |
| 666 | H | 52.1 | Low | 48.8 | Very low | 120 Ų | 120 | 106.3 Ų | 106.3 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -33.7 | 179.3 | -174.6 | 38.5 | 0 | 0 | 0 | 112.4 | A662 T669 H670 | A662-H666 WeakPolarHBondContact O-CB 3.27Å; A662-H666 PolarHBondContact O-N 3.11Å; H666-T669 PolarHBondContact O-OG1 2.81Å; H666-H670 AromaticContact CE1-CD2 3.59Å; H666-H670 AromaticContact CE1-NE2 3.87Å; H666-H670 AromaticContact ND1-CD2 3.97Å; H666-H670 WeakPolarHBondContact O-CB 3.35Å; H666-H670 PolarHBondContact O-N 3.47Å |
| 667 | R | 51.9 | Low | 48.3 | Very low | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.5 | -38.6 | 169.5 | -75.3 | -179.9 | 179.2 | -169.6 | 1 | 112.3 | I663 L664 N665 H670 V671 | I663-R667 WeakPolarHBondContact O-CB 3.44Å; I663-R667 WeakPolarHBondContact O-CG 3.43Å; I663-R667 PolarHBondContact O-N 3.2Å; L664-R667 PolarHBondContact O-N 2.72Å; N665-R667 VanDerWaalsContact C-N 3.31Å; N665-R667 PolarHBondContact O-N 3.01Å; R667-H670 PolarHBondContact O-N 3.01Å; R667-V671 WeakPolarHBondContact O-CG2 3.29Å; R667-V671 PolarHBondContact O-N 3.01Å |
| 668 | R | 49.8 | Very low | 47.9 | Very low | 146 Ų | 146 | 110 Ų | 110 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -48.5 | 178.6 | -149.8 | -170.7 | 88 | -168.1 | 6.5 | 111.2 | L664 N665 H670 V671 E672 | L664-R668 WeakPolarHBondContact O-CB 3.36Å; L664-R668 PolarHBondContact O-N 3.28Å; N665-R668 PolarHBondContact O-N 3.43Å; N665-R668 VanDerWaalsContact O-N 3.14Å; R668-H670 VanDerWaalsContact C-N 3.31Å; R668-H670 PolarHBondContact O-N 2.99Å; R668-V671 PolarHBondContact O-N 2.96Å; R668-V671 VanDerWaalsContact O-N 3.15Å; R668-E672 IonicContact CZ-OE1 3.95Å; R668-E672 VanDerWaalsContact CZ-OE1 3.28Å; R668-E672 IonicContact NE-OE1 3.28Å; R668-E672 PolarHBondContact NE-OE1 3.37Å; R668-E672 IonicContact NE-OE2 2.72Å; R668-E672 IonicContact NH2-OE1 2.91Å; R668-E672 PolarHBondContact NH2-OE1 3.46Å; R668-E672 IonicContact NH2-OE2 3.95Å; R668-E672 WeakPolarHBondContact O-CB 3.23Å; R668-E672 VanDerWaalsContact O-CG 3.31Å; R668-E672 WeakPolarHBondContact O-CG 3.49Å; R668-E672 PolarHBondContact O-N 2.72Å |
| 669 | T | 48.9 | Very low | 47.7 | Very low | 64 Ų | 64 | 110.4 Ų | 110.4 | 39% | 0.393 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.5 | -32.8 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | N665 H666 E672 L673 | N665-T669 PolarHBondContact O-N 2.79Å; N665-T669 PolarHBondContact O-OG1 3.46Å; H666-T669 PolarHBondContact O-OG1 2.81Å; T669-E672 WeakPolarHBondContact CA-OE2 3.29Å; T669-L673 VanDerWaalsContact O-CB 3.26Å; T669-L673 WeakPolarHBondContact O-CB 3.49Å; T669-L673 WeakPolarHBondContact O-CD1 3.41Å; T669-L673 VanDerWaalsContact O-CG 3.3Å; T669-L673 WeakPolarHBondContact O-CG 3.26Å; T669-L673 PolarHBondContact O-N 3.05Å |
| 670 | H | 45.9 | Very low | 46.9 | Very low | 108 Ų | 108 | 112.9 Ų | 112.9 | 50% | 0.5 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | 172.4 | -107.9 | -63.6 | 0 | 0 | 0 | 113.8 | H666 R667 R668 S674 | H666-H670 AromaticContact CE1-CD2 3.59Å; H666-H670 AromaticContact CE1-NE2 3.87Å; H666-H670 AromaticContact ND1-CD2 3.97Å; H666-H670 WeakPolarHBondContact O-CB 3.35Å; H666-H670 PolarHBondContact O-N 3.47Å; R667-H670 PolarHBondContact O-N 3.01Å; R668-H670 VanDerWaalsContact C-N 3.31Å; R668-H670 PolarHBondContact O-N 2.99Å; H670-S674 WeakPolarHBondContact O-CB 3.46Å; H670-S674 PolarHBondContact O-N 3.01Å; H670-S674 PolarHBondContact O-OG 3.03Å |
| 671 | V | 47.8 | Very low | 46.4 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.3 | -42.5 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | R667 R668 L673 S674 N675 | R667-V671 WeakPolarHBondContact O-CG2 3.29Å; R667-V671 PolarHBondContact O-N 3.01Å; R668-V671 PolarHBondContact O-N 2.96Å; R668-V671 VanDerWaalsContact O-N 3.15Å; V671-L673 PolarHBondContact O-N 2.94Å; V671-S674 PolarHBondContact O-N 3.41Å; V671-S674 VanDerWaalsContact O-N 3.08Å; V671-N675 PolarHBondContact O-N 3.31Å |
| 672 | E | 45.1 | Very low | 45.8 | Very low | 90 Ų | 90 | 114.9 Ų | 114.9 | 42% | 0.421 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -56.6 | -49.6 | 172.7 | -70.4 | 162.3 | 167.1 | 0 | 0 | 110.1 | R668 T669 S674 N675 | R668-E672 IonicContact CZ-OE1 3.95Å; R668-E672 VanDerWaalsContact CZ-OE1 3.28Å; R668-E672 IonicContact NE-OE1 3.28Å; R668-E672 PolarHBondContact NE-OE1 3.37Å; R668-E672 IonicContact NE-OE2 2.72Å; R668-E672 IonicContact NH2-OE1 2.91Å; R668-E672 PolarHBondContact NH2-OE1 3.46Å; R668-E672 IonicContact NH2-OE2 3.95Å; R668-E672 WeakPolarHBondContact O-CB 3.23Å; R668-E672 VanDerWaalsContact O-CG 3.31Å; R668-E672 WeakPolarHBondContact O-CG 3.49Å; R668-E672 PolarHBondContact O-N 2.72Å; T669-E672 WeakPolarHBondContact CA-OE2 3.29Å; E672-S674 PolarHBondContact O-N 3.12Å; E672-S674 VanDerWaalsContact O-N 3.17Å; E672-N675 PolarHBondContact O-N 2.95Å |
| 673 | L | 46.8 | Very low | 44.7 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.5 | -11.1 | 175.2 | -77.1 | 166.6 | 0 | 0 | 0 | 115.6 | T669 V671 | T669-L673 VanDerWaalsContact O-CB 3.26Å; T669-L673 WeakPolarHBondContact O-CB 3.49Å; T669-L673 WeakPolarHBondContact O-CD1 3.41Å; T669-L673 VanDerWaalsContact O-CG 3.3Å; T669-L673 WeakPolarHBondContact O-CG 3.26Å; T669-L673 PolarHBondContact O-N 3.05Å; V671-L673 PolarHBondContact O-N 2.94Å |
| 674 | S | 44.7 | Very low | 43.5 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -101 | -8.1 | 179.5 | -59 | 0 | 0 | 0 | 0 | 113.6 | H670 V671 E672 | H670-S674 WeakPolarHBondContact O-CB 3.46Å; H670-S674 PolarHBondContact O-N 3.01Å; H670-S674 PolarHBondContact O-OG 3.03Å; V671-S674 PolarHBondContact O-N 3.41Å; V671-S674 VanDerWaalsContact O-N 3.08Å; E672-S674 PolarHBondContact O-N 3.12Å; E672-S674 VanDerWaalsContact O-N 3.17Å |
| 675 | N | 41.8 | Very low | 42.5 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -107.1 | -3.6 | -179.4 | -88.5 | 10.1 | 0 | 0 | 0 | 113.9 | V671 E672 | V671-N675 PolarHBondContact O-N 3.31Å; E672-N675 PolarHBondContact O-N 2.95Å |
| 676 | E | 43.3 | Very low | 41.8 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -110.7 | 33.2 | -170.6 | -154.7 | 167 | -128.5 | 0 | 0 | 113.2 | ||
| 677 | A | 42.2 | Very low | 40.6 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | trans | -140.2 | 51.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 678 | A | 40.2 | Very low | 39.9 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -153.2 | 32.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 679 | A | 39.5 | Very low | 39.1 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | -159.9 | 90 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 680 | D | 35.8 | Very low | 38.3 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | trans | -175.2 | 95.2 | 140.1 | -104.8 | -12.8 | 0 | 0 | 0 | 109.8 | ||||
| 681 | E | 35.9 | Very low | 37.9 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 126.8 | 168.5 | -90.2 | -76.5 | 167.4 | 0 | 0 | 109 | V683 | E681-V683 PolarHBondContact O-N 2.98Š| ||
| 682 | P | 37.1 | Very low | 37.4 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | trans | -72.6 | 118.4 | -176.6 | 28.4 | -33.8 | 0 | 0 | 0 | 112.1 | F684 | P682-F684 PolarHBondContact O-N 3.45Å; P682-F684 VanDerWaalsContact O-N 3.11Å | ||
| 683 | V | 31 | Very low | 36.9 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -65.8 | 108.4 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | E681 T685 | E681-V683 PolarHBondContact O-N 2.98Å; V683-T685 PolarHBondContact O-N 3.25Å | ||
| 684 | F | 30 | Very low | 36.4 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 88.8 | 167.8 | -94.6 | -85.9 | 0 | 0 | 0 | 111.5 | P682 I686 | P682-F684 PolarHBondContact O-N 3.45Å; P682-F684 VanDerWaalsContact O-N 3.11Å; F684-I686 PolarHBondContact O-N 2.95Å | ||
| 685 | T | 32.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 142 Ų | 142 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | trans | -77.9 | 107.3 | 171.2 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | V683 | V683-T685 PolarHBondContact O-N 3.25Š| ||
| 686 | I | 34.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -87.2 | 125.5 | 165 | -61.5 | 175.7 | 0 | 0 | 0 | 108.5 | F684 | F684-I686 PolarHBondContact O-N 2.95Š| ||
| 687 | N | 28 | Very low | 34.9 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -133.7 | 152.2 | 167.8 | -92 | -45.3 | 0 | 0 | 0 | 109.9 | ||||
| 688 | P | 36 | Very low | 34.3 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -110 | 162.7 | -141.5 | -1.4 | 24.6 | 0 | 0 | 0 | 116.3 | ||||
| 689 | I | 33 | Very low | 33.8 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | 68.8 | 109.1 | 153.8 | -59.3 | 156.7 | 0 | 0 | 0 | 117.1 | ||||
| 690 | L | 32.1 | Very low | 33.3 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 100% | 1.257 | 81% | 0.809 | S | S | * | * | -137.3 | 0 | 110.3 | -103.3 | 171.4 | 0 | 0 | 0 | 109.4 |
Retrieved 690 of 690 residues in 268.2 ms
(Link to these results)