| 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 | 53.4 | Low | 64.8 | Low | 214 Ų | 214 | 117.5 Ų | 117.5 | 100% | 1.054 | 60% | 0.604 | S | S | * | * | 0 | -54.6 | 0 | -148.5 | 80 | 176.8 | 0 | 0 | 112 | M3 Y5 | M1-M3 PolarHBondContact O-N 3.01Å; M1-Y5 WeakPolarHBondContact O-CB 3.29Å; M1-Y5 PolarHBondContact O-N 3.31Å | |||
| 2 | S | 59.6 | Low | 66.3 | Low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.3 | -27.4 | -176.8 | 69 | 0 | 0 | 0 | 0 | 115.4 | K6 | S2-K6 WeakPolarHBondContact O-CB 3.29Å; S2-K6 PolarHBondContact O-N 3.47Å |
| 3 | M | 60.2 | Low | 67.6 | Low | 155 Ų | 155 | 114.9 Ų | 114.9 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.2 | -39.7 | -178.7 | -147 | 165.7 | 95.1 | 0 | 0 | 112.6 | M1 K6 D7 | M1-M3 PolarHBondContact O-N 3.01Å; M3-K6 PolarHBondContact O-N 3.26Å; M3-D7 PolarHBondContact O-N 3.05Å; M3-D7 VanDerWaalsContact O-N 3.13Å |
| 4 | A | 59.3 | Low | 68.6 | Low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K6 D7 D8 | A4-K6 PolarHBondContact O-N 3.27Å; A4-D7 PolarHBondContact O-N 3.26Å; A4-D8 PolarHBondContact O-N 3.13Å |
| 5 | Y | 62.2 | Low | 69.8 | Low | 160 Ų | 160 | 106.1 Ų | 106.1 | 63% | 0.627 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.1 | -35.8 | 173.3 | -177.5 | -93.2 | 0 | 0 | 0 | 112 | M1 E9 | M1-Y5 WeakPolarHBondContact O-CB 3.29Å; M1-Y5 PolarHBondContact O-N 3.31Å; Y5-E9 VanDerWaalsContact CE1-OE2 3.29Å; Y5-E9 WeakPolarHBondContact CE1-OE2 3.36Å; Y5-E9 VanDerWaalsContact O-CB 3.29Å; Y5-E9 WeakPolarHBondContact O-CB 3.46Å; Y5-E9 PolarHBondContact O-N 3.23Å |
| 6 | K | 64.9 | Low | 70.9 | Confident | 130 Ų | 130 | 102.8 Ų | 102.8 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.5 | -36.1 | 179.9 | -166 | 167.1 | -177.4 | 146 | 0 | 113.2 | S2 M3 A4 E9 E10 | S2-K6 WeakPolarHBondContact O-CB 3.29Å; S2-K6 PolarHBondContact O-N 3.47Å; M3-K6 PolarHBondContact O-N 3.26Å; A4-K6 PolarHBondContact O-N 3.27Å; K6-E9 PolarHBondContact O-N 3.24Å; K6-E10 WeakPolarHBondContact O-CG 3.33Å; K6-E10 PolarHBondContact O-N 3.36Å; K6-E10 VanDerWaalsContact O-N 3.11Å |
| 7 | D | 66.4 | Low | 71.8 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 173.3 | -97.7 | -3 | 0 | 0 | 0 | 111.1 | M3 A4 E9 E10 D11 | M3-D7 PolarHBondContact O-N 3.05Å; M3-D7 VanDerWaalsContact O-N 3.13Å; A4-D7 PolarHBondContact O-N 3.26Å; D7-E9 PolarHBondContact O-N 3.3Å; D7-E10 PolarHBondContact O-N 3.07Å; D7-D11 PolarHBondContact O-N 2.97Å; D7-D11 VanDerWaalsContact O-N 3.07Å |
| 8 | D | 68.2 | Low | 72.7 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.2 | -35.9 | 175 | -69.8 | -33.9 | 0 | 0 | 0 | 111.2 | A4 W12 | A4-D8 PolarHBondContact O-N 3.13Å; D8-W12 VanDerWaalsContact O-CD1 3.23Å; D8-W12 PolarHBondContact O-N 3.29Å |
| 9 | E | 70.9 | Confident | 73.6 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 177.7 | -155.2 | -178.4 | 156.4 | 0 | 0 | 112.9 | Y5 K6 D7 W12 L13 | Y5-E9 VanDerWaalsContact CE1-OE2 3.29Å; Y5-E9 WeakPolarHBondContact CE1-OE2 3.36Å; Y5-E9 VanDerWaalsContact O-CB 3.29Å; Y5-E9 WeakPolarHBondContact O-CB 3.46Å; Y5-E9 PolarHBondContact O-N 3.23Å; K6-E9 PolarHBondContact O-N 3.24Å; D7-E9 PolarHBondContact O-N 3.3Å; E9-W12 VanDerWaalsContact CA-NE1 3.26Å; E9-W12 HydrophobicContact CG-CZ2 4.24Å; E9-W12 PolarHBondContact O-NE1 3.44Å; E9-L13 WeakPolarHBondContact O-CB 3.29Å; E9-L13 PolarHBondContact O-N 2.67Å |
| 10 | E | 70.3 | Confident | 74.3 | Confident | 64 Ų | 64 | 98 Ų | 98 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.8 | -30.2 | 179.7 | -70.6 | -165.8 | 151.2 | 0 | 0 | 112.8 | K6 D7 T14 R248 | K6-E10 WeakPolarHBondContact O-CG 3.33Å; K6-E10 PolarHBondContact O-N 3.36Å; K6-E10 VanDerWaalsContact O-N 3.11Å; D7-E10 PolarHBondContact O-N 3.07Å; E10-T14 WeakPolarHBondContact O-CB 3.33Å; E10-T14 PolarHBondContact O-N 2.89Å; E10-T14 VanDerWaalsContact O-N 3.13Å; E10-T14 PolarHBondContact O-OG1 3Å; E10-R248 IonicContact OE1-CZ 3.92Å; E10-R248 VanDerWaalsContact OE1-CZ 3.28Å; E10-R248 IonicContact OE1-NH1 3.08Å; E10-R248 PolarHBondContact OE1-NH1 2.61Å; E10-R248 IonicContact OE1-NH2 3.28Å; E10-R248 PolarHBondContact OE1-NH2 3.41Å; E10-R248 IonicContact OE2-CZ 2.67Å; E10-R248 IonicContact OE2-NH1 2.94Å; E10-R248 PolarHBondContact OE2-NH1 3.13Å; E10-R248 VanDerWaalsContact OE2-NH1 3.08Å |
| 11 | D | 77.8 | Confident | 75 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.3 | -47.5 | 177.2 | -80.7 | -13 | 0 | 0 | 0 | 112 | D7 L13 T14 V15 | D7-D11 PolarHBondContact O-N 2.97Å; D7-D11 VanDerWaalsContact O-N 3.07Å; D11-L13 VanDerWaalsContact C-N 3.29Å; D11-L13 PolarHBondContact O-N 3.17Å; D11-T14 PolarHBondContact O-N 3.11Å; D11-V15 WeakPolarHBondContact O-CG2 3.33Å; D11-V15 PolarHBondContact O-N 3.36Å |
| 12 | W | 82.8 | Confident | 76.8 | Confident | 140 Ų | 140 | 86.5 Ų | 86.5 | 53% | 0.53 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 177.4 | 77.9 | -104.2 | 0 | 0 | 0 | 112 | D8 E9 V15 C16 | D8-W12 VanDerWaalsContact O-CD1 3.23Å; D8-W12 PolarHBondContact O-N 3.29Å; E9-W12 VanDerWaalsContact CA-NE1 3.26Å; E9-W12 HydrophobicContact CG-CZ2 4.24Å; E9-W12 PolarHBondContact O-NE1 3.44Å; W12-V15 PolarHBondContact O-N 2.86Å; W12-C16 HydrophobicContact CE3-CB 4.23Å; W12-C16 HydrophobicContact CZ3-CB 4.4Å; W12-C16 VanDerWaalsContact O-CB 3.29Å; W12-C16 WeakPolarHBondContact O-CB 3.41Å; W12-C16 PolarHBondContact O-N 3.04Å |
| 13 | L | 82.3 | Confident | 78.3 | Confident | 61 Ų | 61 | 86.1 Ų | 86.1 | 32% | 0.319 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 179.7 | -178.4 | 66.3 | 0 | 0 | 0 | 110.7 | E9 D11 C16 L17 | E9-L13 WeakPolarHBondContact O-CB 3.29Å; E9-L13 PolarHBondContact O-N 2.67Å; D11-L13 VanDerWaalsContact C-N 3.29Å; D11-L13 PolarHBondContact O-N 3.17Å; L13-C16 PolarHBondContact O-N 3.48Å; L13-L17 HydrophobicContact CG-CD1 4.2Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.38Å |
| 14 | T | 82.3 | Confident | 79.7 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | E10 D11 L17 K18 L245 R248 | E10-T14 WeakPolarHBondContact O-CB 3.33Å; E10-T14 PolarHBondContact O-N 2.89Å; E10-T14 VanDerWaalsContact O-N 3.13Å; E10-T14 PolarHBondContact O-OG1 3Å; D11-T14 PolarHBondContact O-N 3.11Å; T14-L17 PolarHBondContact O-N 3.43Å; T14-K18 WeakPolarHBondContact O-CG 3.26Å; T14-K18 PolarHBondContact O-N 3.3Å; T14-L245 HydrophobicContact CG2-CD1 4.17Å; T14-R248 HydrophobicContact CG2-CB 4.46Å |
| 15 | V | 86.3 | Confident | 81.3 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 174.7 | 174 | 0 | 0 | 0 | 0 | 110.6 | D11 W12 L17 K18 Y19 | D11-V15 WeakPolarHBondContact O-CG2 3.33Å; D11-V15 PolarHBondContact O-N 3.36Å; W12-V15 PolarHBondContact O-N 2.86Å; V15-L17 PolarHBondContact O-N 3.25Å; V15-K18 PolarHBondContact O-N 3.45Å; V15-Y19 HydrophobicContact CG1-CD2 3.62Å; V15-Y19 HydrophobicContact CG1-CE2 3.58Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.28Å; V15-Y19 PolarHBondContact O-N 2.79Å |
| 16 | C | 87.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 178.1 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | W12 L13 K18 Y19 L20 | W12-C16 HydrophobicContact CE3-CB 4.23Å; W12-C16 HydrophobicContact CZ3-CB 4.4Å; W12-C16 VanDerWaalsContact O-CB 3.29Å; W12-C16 WeakPolarHBondContact O-CB 3.41Å; W12-C16 PolarHBondContact O-N 3.04Å; L13-C16 PolarHBondContact O-N 3.48Å; C16-K18 PolarHBondContact O-N 3.05Å; C16-Y19 PolarHBondContact O-N 3.4Å; C16-L20 WeakPolarHBondContact O-CB 3.26Å; C16-L20 WeakPolarHBondContact O-CG 3.43Å; C16-L20 PolarHBondContact O-N 2.89Å |
| 17 | L | 85.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177 | -73.8 | 171.1 | 0 | 0 | 0 | 112.3 | L13 T14 V15 L21 F241 C244 | L13-L17 HydrophobicContact CG-CD1 4.2Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.38Å; T14-L17 PolarHBondContact O-N 3.43Å; V15-L17 PolarHBondContact O-N 3.25Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 3.13Å; L17-F241 HydrophobicContact CD2-CD1 3.8Å; L17-F241 HydrophobicContact CD2-CE1 4.25Å; L17-F241 HydrophobicContact CD2-CG 4.27Å; L17-C244 HydrophobicContact CD1-CB 4.11Å |
| 18 | K | 88.2 | Confident | 85.3 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 176 | -74.4 | 175.4 | 176.4 | -176.1 | 0 | 111.2 | T14 V15 C16 L21 F22 V83 E86 L245 | T14-K18 WeakPolarHBondContact O-CG 3.26Å; T14-K18 PolarHBondContact O-N 3.3Å; V15-K18 PolarHBondContact O-N 3.45Å; C16-K18 PolarHBondContact O-N 3.05Å; K18-L21 PolarHBondContact O-N 2.94Å; K18-F22 VanDerWaalsContact O-CB 3.22Å; K18-F22 WeakPolarHBondContact O-CB 3.3Å; K18-F22 PolarHBondContact O-N 3.08Å; K18-V83 HydrophobicContact CB-CG1 4.09Å; K18-V83 HydrophobicContact CG-CG1 4.33Å; K18-E86 IonicContact NZ-OE1 2.74Å; K18-E86 PolarHBondContact NZ-OE1 3.42Å; K18-E86 IonicContact NZ-OE2 3.95Å; K18-E86 PolarHBondContact NZ-OE2 3.48Å; K18-L245 HydrophobicContact CD-CD1 4.4Å; K18-L245 HydrophobicContact CG-CD1 3.69Å; K18-L245 HydrophobicContact CG-CD2 4.12Å |
| 19 | Y | 89.2 | Confident | 86.6 | Confident | 167 Ų | 167 | 72 Ų | 72 | 66% | 0.655 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 179.8 | -85.6 | -73.9 | 0 | 0 | 0 | 112.5 | V15 C16 F22 L23 | V15-Y19 HydrophobicContact CG1-CD2 3.62Å; V15-Y19 HydrophobicContact CG1-CE2 3.58Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.28Å; V15-Y19 PolarHBondContact O-N 2.79Å; C16-Y19 PolarHBondContact O-N 3.4Å; Y19-F22 PolarHBondContact O-N 2.78Å; Y19-L23 VanDerWaalsContact O-CB 3.23Å; Y19-L23 WeakPolarHBondContact O-CB 3.23Å; Y19-L23 PolarHBondContact O-N 3.41Å |
| 20 | L | 88.3 | Confident | 87.8 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 177.1 | -73.2 | 173.2 | 0 | 0 | 0 | 111.6 | C16 L23 F24 | C16-L20 WeakPolarHBondContact O-CB 3.26Å; C16-L20 WeakPolarHBondContact O-CG 3.43Å; C16-L20 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 2.96Å; L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 PolarHBondContact O-N 2.87Å |
| 21 | L | 88.4 | Confident | 89 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | -179.8 | -170.2 | 61.6 | 0 | 0 | 0 | 111.5 | L17 K18 N25 V83 Y94 F241 L245 | L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 3.13Å; K18-L21 PolarHBondContact O-N 2.94Å; L21-N25 WeakPolarHBondContact O-CB 3.41Å; L21-N25 PolarHBondContact O-N 3.49Å; L21-N25 PolarHBondContact O-ND2 2.86Å; L21-V83 HydrophobicContact CB-CG2 4.08Å; L21-V83 HydrophobicContact CD2-CG2 3.67Å; L21-V83 HydrophobicContact CG-CG2 3.76Å; L21-Y94 HydrophobicContact CD1-CE1 4.41Å; L21-F241 HydrophobicContact CD1-CB 4.28Å; L21-L245 HydrophobicContact CD2-CD2 4.12Å |
| 22 | F | 91.7 | Very high | 89.8 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 31% | 0.307 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -51 | 174.8 | -179.8 | -100.6 | 0 | 0 | 0 | 111.8 | K18 Y19 F24 N25 F26 C80 V83 I84 | K18-F22 VanDerWaalsContact O-CB 3.22Å; K18-F22 WeakPolarHBondContact O-CB 3.3Å; K18-F22 PolarHBondContact O-N 3.08Å; Y19-F22 PolarHBondContact O-N 2.78Å; F22-F24 VanDerWaalsContact C-N 3.32Å; F22-F24 PolarHBondContact O-N 2.84Å; F22-N25 PolarHBondContact O-N 3.37Å; F22-F26 VanDerWaalsContact O-CB 3.28Å; F22-F26 WeakPolarHBondContact O-CB 3.22Å; F22-F26 PolarHBondContact O-N 2.93Å; F22-C80 HydrophobicContact CD2-CB 4.31Å; F22-C80 HydrophobicContact CE2-CB 4.06Å; F22-V83 HydrophobicContact CB-CG1 4.15Å; F22-I84 HydrophobicContact CD2-CG1 4.38Å; F22-I84 HydrophobicContact CE2-CD1 3.85Å; F22-I84 HydrophobicContact CE2-CG1 4.16Å |
| 23 | L | 91.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 179.7 | 177.7 | 62.7 | 0 | 0 | 0 | 111 | Y19 L20 F26 L27 | Y19-L23 VanDerWaalsContact O-CB 3.23Å; Y19-L23 WeakPolarHBondContact O-CB 3.23Å; Y19-L23 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 2.96Å; L23-F26 PolarHBondContact O-N 3.35Å; L23-L27 HydrophobicContact CD1-CD1 4.33Å; L23-L27 HydrophobicContact CD1-CG 4.3Å; L23-L27 HydrophobicContact CG-CD1 4.26Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 3.48Å |
| 24 | F | 89.7 | Confident | 91.3 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 25% | 0.25 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.4 | -55.2 | 176.5 | 179.4 | -93.7 | 0 | 0 | 0 | 111 | L20 F22 F26 L27 F28 L234 | L20-F24 WeakPolarHBondContact O-CB 3.32Å; L20-F24 PolarHBondContact O-N 2.87Å; F22-F24 VanDerWaalsContact C-N 3.32Å; F22-F24 PolarHBondContact O-N 2.84Å; F24-F26 VanDerWaalsContact C-N 3.27Å; F24-F26 PolarHBondContact O-N 3.29Å; F24-L27 PolarHBondContact O-N 2.94Å; F24-F28 AromaticContact CD1-CD2 3.89Å; F24-F28 HydrophobicContact CD1-CD2 3.89Å; F24-F28 HydrophobicContact CD1-CE2 4.14Å; F24-F28 HydrophobicContact CD2-CD2 4.13Å; F24-F28 AromaticContact CD2-CE2 3.76Å; F24-F28 HydrophobicContact CD2-CE2 3.76Å; F24-F28 AromaticContact CE1-CD2 3.58Å; F24-F28 HydrophobicContact CE1-CD2 3.58Å; F24-F28 AromaticContact CE1-CE2 3.56Å; F24-F28 HydrophobicContact CE1-CE2 3.56Å; F24-F28 HydrophobicContact CE1-CZ 4.38Å; F24-F28 AromaticContact CE2-CD2 3.88Å; F24-F28 HydrophobicContact CE2-CD2 3.88Å; F24-F28 AromaticContact CE2-CE2 3.15Å; F24-F28 HydrophobicContact CE2-CE2 3.15Å; F24-F28 AromaticContact CE2-CZ 3.99Å; F24-F28 HydrophobicContact CE2-CZ 3.99Å; F24-F28 HydrophobicContact CG-CD2 4.14Å; F24-F28 HydrophobicContact CG-CE2 4.22Å; F24-F28 AromaticContact CZ-CD2 3.58Å; F24-F28 HydrophobicContact CZ-CD2 3.58Å; F24-F28 AromaticContact CZ-CE2 3.01Å; F24-F28 HydrophobicContact CZ-CE2 3.01Å; F24-F28 AromaticContact CZ-CZ 3.67Å; F24-F28 HydrophobicContact CZ-CZ 3.67Å; F24-F28 VanDerWaalsContact O-CD2 3.31Å; F24-F28 WeakPolarHBondContact O-CD2 3.22Å; F24-F28 PolarHBondContact O-N 3.29Å; F24-L234 HydrophobicContact CE2-CB 4.27Å; F24-L234 HydrophobicContact CE2-CD1 4.28Å; F24-L234 HydrophobicContact CE2-CD2 3.98Å; F24-L234 HydrophobicContact CE2-CG 4.41Å; F24-L234 HydrophobicContact CZ-CB 3.97Å |
| 25 | N | 92.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -34.9 | -179.9 | -81.5 | -75.1 | 0 | 0 | 0 | 113.1 | L21 F22 F28 W29 Y94 | L21-N25 WeakPolarHBondContact O-CB 3.41Å; L21-N25 PolarHBondContact O-N 3.49Å; L21-N25 PolarHBondContact O-ND2 2.86Å; F22-N25 PolarHBondContact O-N 3.37Å; N25-F28 PolarHBondContact O-N 3.16Å; N25-W29 VanDerWaalsContact O-CB 3.31Å; N25-W29 WeakPolarHBondContact O-CB 3.3Å; N25-W29 PolarHBondContact O-N 3.34Å; N25-Y94 VanDerWaalsContact CG-OH 3.3Å; N25-Y94 PolarHBondContact ND2-OH 3.49Å; N25-Y94 VanDerWaalsContact ND2-OH 3.07Å; N25-Y94 WeakPolarHBondContact OD1-CE2 3.2Å; N25-Y94 PolarHBondContact OD1-OH 2.79Å |
| 26 | F | 93.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.3 | -177 | -101 | 0 | 0 | 0 | 111.9 | F22 L23 F24 W29 V30 | F22-F26 VanDerWaalsContact O-CB 3.28Å; F22-F26 WeakPolarHBondContact O-CB 3.22Å; F22-F26 PolarHBondContact O-N 2.93Å; L23-F26 PolarHBondContact O-N 3.35Å; F24-F26 VanDerWaalsContact C-N 3.27Å; F24-F26 PolarHBondContact O-N 3.29Å; F26-W29 HydrophobicContact CD2-CE3 4.08Å; F26-W29 AromaticContact CE2-CE3 3.89Å; F26-W29 HydrophobicContact CE2-CE3 3.89Å; F26-W29 AromaticContact CE2-CZ3 3.92Å; F26-W29 HydrophobicContact CE2-CZ3 3.92Å; F26-W29 WeakPolarHBondContact O-CB 3.42Å; F26-W29 PolarHBondContact O-N 3.45Å; F26-V30 HydrophobicContact CD1-CG2 4.37Å; F26-V30 HydrophobicContact CE1-CG2 3.93Å; F26-V30 HydrophobicContact CE2-CG2 4.29Å; F26-V30 HydrophobicContact CZ-CG2 3.89Å; F26-V30 WeakPolarHBondContact O-CG2 3.49Å; F26-V30 PolarHBondContact O-N 3Å |
| 27 | L | 93.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 174.8 | -69.5 | 174.4 | 0 | 0 | 0 | 111.6 | L23 F24 V30 G31 | L23-L27 HydrophobicContact CD1-CD1 4.33Å; L23-L27 HydrophobicContact CD1-CG 4.3Å; L23-L27 HydrophobicContact CG-CD1 4.26Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 2.94Å; L27-V30 PolarHBondContact O-N 3.11Å; L27-G31 PolarHBondContact O-N 3.33Å |
| 28 | F | 91.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.6 | -87.7 | -85.5 | 0 | 0 | 0 | 112 | F24 N25 G31 G32 V72 L234 | F24-F28 AromaticContact CD1-CD2 3.89Å; F24-F28 HydrophobicContact CD1-CD2 3.89Å; F24-F28 HydrophobicContact CD1-CE2 4.14Å; F24-F28 HydrophobicContact CD2-CD2 4.13Å; F24-F28 AromaticContact CD2-CE2 3.76Å; F24-F28 HydrophobicContact CD2-CE2 3.76Å; F24-F28 AromaticContact CE1-CD2 3.58Å; F24-F28 HydrophobicContact CE1-CD2 3.58Å; F24-F28 AromaticContact CE1-CE2 3.56Å; F24-F28 HydrophobicContact CE1-CE2 3.56Å; F24-F28 HydrophobicContact CE1-CZ 4.38Å; F24-F28 AromaticContact CE2-CD2 3.88Å; F24-F28 HydrophobicContact CE2-CD2 3.88Å; F24-F28 AromaticContact CE2-CE2 3.15Å; F24-F28 HydrophobicContact CE2-CE2 3.15Å; F24-F28 AromaticContact CE2-CZ 3.99Å; F24-F28 HydrophobicContact CE2-CZ 3.99Å; F24-F28 HydrophobicContact CG-CD2 4.14Å; F24-F28 HydrophobicContact CG-CE2 4.22Å; F24-F28 AromaticContact CZ-CD2 3.58Å; F24-F28 HydrophobicContact CZ-CD2 3.58Å; F24-F28 AromaticContact CZ-CE2 3.01Å; F24-F28 HydrophobicContact CZ-CE2 3.01Å; F24-F28 AromaticContact CZ-CZ 3.67Å; F24-F28 HydrophobicContact CZ-CZ 3.67Å; F24-F28 VanDerWaalsContact O-CD2 3.31Å; F24-F28 WeakPolarHBondContact O-CD2 3.22Å; F24-F28 PolarHBondContact O-N 3.29Å; N25-F28 PolarHBondContact O-N 3.16Å; F28-G31 PolarHBondContact O-N 3.18Å; F28-G32 PolarHBondContact O-N 2.73Å; F28-V72 HydrophobicContact CB-CG1 4.24Å; F28-V72 HydrophobicContact CD1-CG1 4.08Å; F28-V72 VanDerWaalsContact O-CG1 3.22Å; F28-V72 WeakPolarHBondContact O-CG1 3.27Å; F28-L234 HydrophobicContact CZ-CD1 3.99Å |
| 29 | W | 95.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 36% | 0.36 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 178 | 179.9 | 69.9 | 0 | 0 | 0 | 112 | N25 F26 G32 A33 V73 | N25-W29 VanDerWaalsContact O-CB 3.31Å; N25-W29 WeakPolarHBondContact O-CB 3.3Å; N25-W29 PolarHBondContact O-N 3.34Å; F26-W29 HydrophobicContact CD2-CE3 4.08Å; F26-W29 AromaticContact CE2-CE3 3.89Å; F26-W29 HydrophobicContact CE2-CE3 3.89Å; F26-W29 AromaticContact CE2-CZ3 3.92Å; F26-W29 HydrophobicContact CE2-CZ3 3.92Å; F26-W29 WeakPolarHBondContact O-CB 3.42Å; F26-W29 PolarHBondContact O-N 3.45Å; W29-G32 PolarHBondContact O-N 2.93Å; W29-A33 WeakPolarHBondContact O-CB 3.49Å; W29-A33 PolarHBondContact O-N 2.96Å; W29-V73 VanDerWaalsContact CD1-O 3.3Å |
| 30 | V | 96.2 | Very high | 93.4 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 42% | 0.418 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | F26 L27 A33 A34 | F26-V30 HydrophobicContact CD1-CG2 4.37Å; F26-V30 HydrophobicContact CE1-CG2 3.93Å; F26-V30 HydrophobicContact CE2-CG2 4.29Å; F26-V30 HydrophobicContact CZ-CG2 3.89Å; F26-V30 WeakPolarHBondContact O-CG2 3.49Å; F26-V30 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 3.11Å; V30-A33 PolarHBondContact O-N 3.5Å; V30-A34 PolarHBondContact O-N 3.38Å |
| 31 | G | 94.9 | Very high | 93.5 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L27 F28 A33 A34 V35 | L27-G31 PolarHBondContact O-N 3.33Å; F28-G31 PolarHBondContact O-N 3.18Å; G31-A33 VanDerWaalsContact C-N 3.34Å; G31-A33 PolarHBondContact O-N 3.25Å; G31-A34 WeakPolarHBondContact O-CB 3.3Å; G31-A34 PolarHBondContact O-N 2.89Å; G31-V35 WeakPolarHBondContact O-CG2 3.31Å; G31-V35 PolarHBondContact O-N 2.98Å |
| 32 | G | 95.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F28 W29 A34 V35 L36 | F28-G32 PolarHBondContact O-N 2.73Å; W29-G32 PolarHBondContact O-N 2.93Å; G32-A34 VanDerWaalsContact C-N 3.33Å; G32-A34 PolarHBondContact O-N 3.44Å; G32-V35 PolarHBondContact O-N 2.92Å; G32-L36 VanDerWaalsContact O-CB 3.24Å; G32-L36 WeakPolarHBondContact O-CB 3.31Å; G32-L36 PolarHBondContact O-N 3.47Å |
| 33 | A | 97.2 | Very high | 93 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W29 V30 G31 G37 V73 | W29-A33 WeakPolarHBondContact O-CB 3.49Å; W29-A33 PolarHBondContact O-N 2.96Å; V30-A33 PolarHBondContact O-N 3.5Å; G31-A33 VanDerWaalsContact C-N 3.34Å; G31-A33 PolarHBondContact O-N 3.25Å; A33-G37 PolarHBondContact O-N 3.22Å; A33-V73 HydrophobicContact CB-CG2 4.07Å |
| 34 | A | 97.4 | Very high | 92.7 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V30 G31 G32 L36 G37 V38 | V30-A34 PolarHBondContact O-N 3.38Å; G31-A34 WeakPolarHBondContact O-CB 3.3Å; G31-A34 PolarHBondContact O-N 2.89Å; G32-A34 VanDerWaalsContact C-N 3.33Å; G32-A34 PolarHBondContact O-N 3.44Å; A34-L36 PolarHBondContact O-N 3.5Å; A34-G37 PolarHBondContact O-N 3.31Å; A34-V38 WeakPolarHBondContact O-CG2 3.32Å; A34-V38 PolarHBondContact O-N 3.44Å |
| 35 | V | 95.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.3 | 172 | 0 | 0 | 0 | 0 | 111.5 | G31 G32 G37 V38 G39 L65 | G31-V35 WeakPolarHBondContact O-CG2 3.31Å; G31-V35 PolarHBondContact O-N 2.98Å; G32-V35 PolarHBondContact O-N 2.92Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 3.02Å; V35-V38 PolarHBondContact O-N 3.18Å; V35-G39 PolarHBondContact O-N 3.11Å; V35-L65 HydrophobicContact CG1-CD2 4.14Å |
| 36 | L | 96.4 | Very high | 91 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 174.9 | 177.7 | 62 | 0 | 0 | 0 | 111 | G32 A34 V38 G39 V40 I66 V73 | G32-L36 VanDerWaalsContact O-CB 3.24Å; G32-L36 WeakPolarHBondContact O-CB 3.31Å; G32-L36 PolarHBondContact O-N 3.47Å; A34-L36 PolarHBondContact O-N 3.5Å; L36-V38 PolarHBondContact O-N 3.29Å; L36-G39 PolarHBondContact O-N 3.27Å; L36-V40 HydrophobicContact CD1-CG2 4.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.26Å; L36-V40 PolarHBondContact O-N 3.44Å; L36-I66 HydrophobicContact CD1-CB 4.2Å; L36-I66 HydrophobicContact CD1-CG1 4.4Å; L36-I66 HydrophobicContact CD1-CG2 3.76Å; L36-I66 WeakPolarHBondContact CD1-O 3.39Å; L36-V73 HydrophobicContact CD2-CG2 4.48Å |
| 37 | G | 95.4 | Very high | 89.6 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A33 A34 V35 V40 W41 | A33-G37 PolarHBondContact O-N 3.22Å; A34-G37 PolarHBondContact O-N 3.31Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 3.02Å; G37-V40 PolarHBondContact O-N 3.43Å; G37-W41 WeakPolarHBondContact O-CB 3.46Å; G37-W41 PolarHBondContact O-N 2.83Å |
| 38 | V | 93.4 | Very high | 88.1 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.2 | A34 V35 L36 W41 T42 | A34-V38 WeakPolarHBondContact O-CG2 3.32Å; A34-V38 PolarHBondContact O-N 3.44Å; V35-V38 PolarHBondContact O-N 3.18Å; L36-V38 PolarHBondContact O-N 3.29Å; V38-W41 PolarHBondContact O-N 3.02Å; V38-T42 WeakPolarHBondContact O-CB 3.45Å; V38-T42 PolarHBondContact O-N 3.21Å; V38-T42 PolarHBondContact O-OG1 3.03Å |
| 39 | G | 91.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V35 L36 T42 L43 | V35-G39 PolarHBondContact O-N 3.11Å; L36-G39 PolarHBondContact O-N 3.27Å; G39-T42 PolarHBondContact O-N 3.15Å; G39-L43 PolarHBondContact O-N 3.03Å |
| 40 | V | 92.2 | Very high | 84.3 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111 | L36 G37 T42 L43 V44 I66 | L36-V40 HydrophobicContact CD1-CG2 4.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.26Å; L36-V40 PolarHBondContact O-N 3.44Å; G37-V40 PolarHBondContact O-N 3.43Å; V40-T42 VanDerWaalsContact C-N 3.27Å; V40-T42 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 2.8Å; V40-L43 VanDerWaalsContact O-N 3.11Å; V40-V44 HydrophobicContact CG1-CG2 4.15Å; V40-V44 WeakPolarHBondContact O-CG2 3.27Å; V40-V44 PolarHBondContact O-N 3.46Å; V40-I66 HydrophobicContact CG2-CD1 4.12Å; V40-I66 HydrophobicContact CG2-CG1 4.14Å |
| 41 | W | 90.4 | Very high | 82.3 | Confident | 161 Ų | 161 | 69.7 Ų | 69.7 | 61% | 0.61 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55.4 | -45.1 | 176.4 | 179.9 | -87 | 0 | 0 | 0 | 111.4 | G37 V38 L43 V44 E45 | G37-W41 WeakPolarHBondContact O-CB 3.46Å; G37-W41 PolarHBondContact O-N 2.83Å; V38-W41 PolarHBondContact O-N 3.02Å; W41-L43 VanDerWaalsContact C-N 3.33Å; W41-L43 PolarHBondContact O-N 3.07Å; W41-V44 PolarHBondContact O-N 3.26Å; W41-E45 WeakPolarHBondContact CZ2-OE2 3.5Å; W41-E45 PolarHBondContact NE1-OE2 2.89Å; W41-E45 WeakPolarHBondContact O-CB 3.34Å; W41-E45 PolarHBondContact O-N 2.9Å |
| 42 | T | 85.8 | Confident | 80.2 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 31% | 0.307 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | V38 G39 V40 K46 A62 | V38-T42 WeakPolarHBondContact O-CB 3.45Å; V38-T42 PolarHBondContact O-N 3.21Å; V38-T42 PolarHBondContact O-OG1 3.03Å; G39-T42 PolarHBondContact O-N 3.15Å; V40-T42 VanDerWaalsContact C-N 3.27Å; V40-T42 PolarHBondContact O-N 2.96Å; T42-K46 WeakPolarHBondContact O-CB 3.32Å; T42-K46 WeakPolarHBondContact O-CG 3.19Å; T42-K46 PolarHBondContact O-N 3.36Å; T42-A62 HydrophobicContact CG2-CB 3.96Å |
| 43 | L | 83.7 | Confident | 78.1 | Confident | 32 Ų | 32 | 79.5 Ų | 79.5 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 176.7 | -75.3 | -175.1 | 0 | 0 | 0 | 112.6 | G39 V40 W41 S47 L50 A62 Y63 I66 | G39-L43 PolarHBondContact O-N 3.03Å; V40-L43 PolarHBondContact O-N 2.8Å; V40-L43 VanDerWaalsContact O-N 3.11Å; W41-L43 VanDerWaalsContact C-N 3.33Å; W41-L43 PolarHBondContact O-N 3.07Å; L43-S47 WeakPolarHBondContact O-CA 3.42Å; L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 3.27Å; L43-L50 HydrophobicContact CD2-CD1 4.11Å; L43-A62 HydrophobicContact CD2-CB 3.7Å; L43-A62 HydrophobicContact CG-CB 3.88Å; L43-Y63 HydrophobicContact CD1-CD1 3.98Å; L43-Y63 HydrophobicContact CD1-CE1 3.6Å; L43-Y63 HydrophobicContact CD2-CE2 4.47Å; L43-I66 HydrophobicContact CD1-CD1 3.3Å; L43-I66 HydrophobicContact CG-CD1 4Å |
| 44 | V | 84.5 | Confident | 75.7 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.1 | -54.9 | -175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | V40 W41 K46 S47 | V40-V44 HydrophobicContact CG1-CG2 4.15Å; V40-V44 WeakPolarHBondContact O-CG2 3.27Å; V40-V44 PolarHBondContact O-N 3.46Å; W41-V44 PolarHBondContact O-N 3.26Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.9Å; V44-S47 WeakPolarHBondContact O-CB 3.48Å; V44-S47 PolarHBondContact O-N 3.41Å; V44-S47 PolarHBondContact O-OG 3.39Å |
| 45 | E | 78.7 | Confident | 73.7 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 49% | 0.486 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.2 | -25.6 | -173.9 | -164.1 | 176.7 | -149.7 | 0 | 0 | 112.6 | W41 | W41-E45 WeakPolarHBondContact CZ2-OE2 3.5Å; W41-E45 PolarHBondContact NE1-OE2 2.89Å; W41-E45 WeakPolarHBondContact O-CB 3.34Å; W41-E45 PolarHBondContact O-N 2.9Å |
| 46 | K | 67.7 | Low | 72.1 | Confident | 109 Ų | 109 | 82.2 Ų | 82.2 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -97.9 | -0.2 | 176.4 | -54.9 | -65.4 | -176.9 | 175.5 | 0 | 113.7 | T42 V44 D48 Y49 L50 | T42-K46 WeakPolarHBondContact O-CB 3.32Å; T42-K46 WeakPolarHBondContact O-CG 3.19Å; T42-K46 PolarHBondContact O-N 3.36Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.9Å; K46-D48 VanDerWaalsContact C-N 3.3Å; K46-D48 PolarHBondContact O-N 3.23Å; K46-Y49 HydrophobicContact CD-CD2 4.35Å; K46-Y49 CarbonylContact O-C 3.43Å; K46-Y49 WeakPolarHBondContact O-CA 3.46Å; K46-Y49 WeakPolarHBondContact O-CB 3.47Å; K46-Y49 PolarHBondContact O-N 3.48Å; K46-L50 WeakPolarHBondContact O-CG 3.5Å; K46-L50 PolarHBondContact O-N 3.48Å |
| 47 | S | 64.1 | Low | 70.8 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -54.4 | -43.2 | -179.2 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | L43 V44 Y49 L50 | L43-S47 WeakPolarHBondContact O-CA 3.42Å; L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 3.27Å; V44-S47 WeakPolarHBondContact O-CB 3.48Å; V44-S47 PolarHBondContact O-N 3.41Å; V44-S47 PolarHBondContact O-OG 3.39Å; S47-Y49 PolarHBondContact O-N 2.82Å; S47-L50 WeakPolarHBondContact O-CB 3.42Å; S47-L50 PolarHBondContact O-N 2.89Å |
| 48 | D | 61.2 | Low | 69.6 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 65% | 0.652 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.2 | -26.7 | 177.1 | -63.8 | -30.9 | 0 | 0 | 0 | 112.8 | K46 | K46-D48 VanDerWaalsContact C-N 3.3Å; K46-D48 PolarHBondContact O-N 3.23Å |
| 49 | Y | 55.7 | Low | 68.9 | Low | 131 Ų | 131 | 85.4 Ų | 85.4 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -91.5 | -21 | 176.8 | -66.7 | -82.7 | 0 | 0 | 0 | 112.8 | K46 S47 S51 L52 L53 | K46-Y49 HydrophobicContact CD-CD2 4.35Å; K46-Y49 CarbonylContact O-C 3.43Å; K46-Y49 WeakPolarHBondContact O-CA 3.46Å; K46-Y49 WeakPolarHBondContact O-CB 3.47Å; K46-Y49 PolarHBondContact O-N 3.48Å; S47-Y49 PolarHBondContact O-N 2.82Å; Y49-S51 PolarHBondContact O-N 3.4Å; Y49-L52 CarbonylContact O-C 3.09Å; Y49-L52 PolarHBondContact O-N 2.92Å; Y49-L53 HydrophobicContact CD1-CD1 4.17Å; Y49-L53 HydrophobicContact CG-CD1 4.45Å; Y49-L53 WeakPolarHBondContact O-CB 3.39Å; Y49-L53 PolarHBondContact O-N 2.92Å |
| 50 | L | 53.3 | Low | 68.6 | Low | 58 Ų | 58 | 89 Ų | 89 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -31.6 | 177.8 | -75 | 175.5 | 0 | 0 | 0 | 111.3 | L43 K46 S47 L52 A54 A59 | L43-L50 HydrophobicContact CD2-CD1 4.11Å; K46-L50 WeakPolarHBondContact O-CG 3.5Å; K46-L50 PolarHBondContact O-N 3.48Å; S47-L50 WeakPolarHBondContact O-CB 3.42Å; S47-L50 PolarHBondContact O-N 2.89Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-A54 PolarHBondContact O-N 3.11Å; L50-A59 HydrophobicContact CD2-CB 4.14Å |
| 51 | S | 53.7 | Low | 68.2 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 72% | 0.72 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.2 | -25 | 174.1 | -27.8 | 0 | 0 | 0 | 0 | 113.1 | Y49 | Y49-S51 PolarHBondContact O-N 3.4Å |
| 52 | L | 51.2 | Low | 68.2 | Low | 143 Ų | 143 | 81.4 Ų | 81.4 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -100.8 | -32.3 | -176.5 | -71.8 | 170.3 | 0 | 0 | 0 | 113.4 | Y49 L50 | Y49-L52 CarbonylContact O-C 3.09Å; Y49-L52 PolarHBondContact O-N 2.92Å; L50-L52 VanDerWaalsContact C-N 3.31Å |
| 53 | L | 50.8 | Low | 68.4 | Low | 101 Ų | 101 | 85.8 Ų | 85.8 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -88.8 | -19.2 | -178.4 | -91.3 | 97.1 | 0 | 0 | 0 | 113.7 | Y49 S55 | Y49-L53 HydrophobicContact CD1-CD1 4.17Å; Y49-L53 HydrophobicContact CG-CD1 4.45Å; Y49-L53 WeakPolarHBondContact O-CB 3.39Å; Y49-L53 PolarHBondContact O-N 2.92Å; L53-S55 PolarHBondContact O-N 3.23Å |
| 54 | A | 46.1 | Very low | 68.7 | Low | 89 Ų | 89 | 89.2 Ų | 89.2 | 74% | 0.736 | 49% | 0.494 | S | S | * | . | trans | 34.9 | 28.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L50 | L50-A54 PolarHBondContact O-N 3.11Š| ||
| 55 | S | 55.8 | Low | 69.1 | Low | 42 Ų | 42 | 87.9 Ų | 87.9 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | trans | -96.2 | 103.2 | 169 | 85.3 | 0 | 0 | 0 | 0 | 104.7 | L53 T57 F58 | L53-S55 PolarHBondContact O-N 3.23Å; S55-T57 WeakPolarHBondContact CB-OG1 3.22Å; S55-T57 PolarHBondContact O-N 3.5Å; S55-T57 PolarHBondContact OG-OG1 3.25Å; S55-F58 PolarHBondContact O-N 3.49Å; S55-F58 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 56 | S | 63 | Low | 69.8 | Low | 93 Ų | 93 | 84.9 Ų | 84.9 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -44.5 | -27.1 | 173.9 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | V60 | S56-V60 VanDerWaalsContact O-CB 3.31Å; S56-V60 WeakPolarHBondContact O-CB 3.47Å; S56-V60 WeakPolarHBondContact O-CG2 3.45Å; S56-V60 PolarHBondContact O-N 3.26Å |
| 57 | T | 67.6 | Low | 71.1 | Confident | 84 Ų | 84 | 86.2 Ų | 86.2 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 175.9 | 55.4 | 0 | 0 | 0 | 0 | 115 | S55 V60 S61 | S55-T57 WeakPolarHBondContact CB-OG1 3.22Å; S55-T57 PolarHBondContact O-N 3.5Å; S55-T57 PolarHBondContact OG-OG1 3.25Å; T57-V60 PolarHBondContact O-N 2.96Å; T57-S61 PolarHBondContact O-N 3.47Å; T57-S61 PolarHBondContact O-OG 2.87Å; T57-S61 VanDerWaalsContact O-OG 3.06Å |
| 58 | F | 71.8 | Confident | 72.4 | Confident | 131 Ų | 131 | 86 Ų | 86 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.6 | -43 | -176.8 | -82.7 | -67.5 | 0 | 0 | 0 | 112 | S55 V60 S61 A62 | S55-F58 PolarHBondContact O-N 3.49Å; S55-F58 WeakPolarHBondContact OG-CD2 3.35Å; F58-V60 VanDerWaalsContact C-N 3.35Å; F58-S61 PolarHBondContact O-N 2.87Å; F58-A62 PolarHBondContact O-N 2.94Å; F58-A62 VanDerWaalsContact O-N 3.09Å |
| 59 | A | 79 | Confident | 74.1 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 19% | 0.19 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L50 S61 A62 Y63 | L50-A59 HydrophobicContact CD2-CB 4.14Å; A59-S61 PolarHBondContact O-N 3.34Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-Y63 HydrophobicContact CB-CD2 4.43Å; A59-Y63 HydrophobicContact CB-CE2 4.24Å; A59-Y63 WeakPolarHBondContact O-CD2 3.48Å; A59-Y63 PolarHBondContact O-N 2.95Å |
| 60 | V | 84.3 | Confident | 76 | Confident | 76 Ų | 76 | 75 Ų | 75 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 176.7 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | S56 T57 F58 A62 Y63 I64 | S56-V60 VanDerWaalsContact O-CB 3.31Å; S56-V60 WeakPolarHBondContact O-CB 3.47Å; S56-V60 WeakPolarHBondContact O-CG2 3.45Å; S56-V60 PolarHBondContact O-N 3.26Å; T57-V60 PolarHBondContact O-N 2.96Å; F58-V60 VanDerWaalsContact C-N 3.35Å; V60-A62 PolarHBondContact O-N 3.38Å; V60-Y63 PolarHBondContact O-N 3.42Å; V60-I64 HydrophobicContact CG1-CD1 3.71Å; V60-I64 HydrophobicContact CG1-CG1 4.41Å; V60-I64 VanDerWaalsContact O-CG1 3.24Å; V60-I64 WeakPolarHBondContact O-CG1 3.32Å; V60-I64 PolarHBondContact O-N 2.95Å |
| 61 | S | 84.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | T57 F58 A59 I64 L65 | T57-S61 PolarHBondContact O-N 3.47Å; T57-S61 PolarHBondContact O-OG 2.87Å; T57-S61 VanDerWaalsContact O-OG 3.06Å; F58-S61 PolarHBondContact O-N 2.87Å; A59-S61 PolarHBondContact O-N 3.34Å; S61-I64 PolarHBondContact O-N 2.76Å; S61-L65 WeakPolarHBondContact O-CG 3.35Å; S61-L65 PolarHBondContact O-N 3.39Å |
| 62 | A | 88.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 3% | 0.025 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T42 L43 F58 A59 V60 I64 L65 I66 | T42-A62 HydrophobicContact CG2-CB 3.96Å; L43-A62 HydrophobicContact CD2-CB 3.7Å; L43-A62 HydrophobicContact CG-CB 3.88Å; F58-A62 PolarHBondContact O-N 2.94Å; F58-A62 VanDerWaalsContact O-N 3.09Å; A59-A62 PolarHBondContact O-N 3.48Å; V60-A62 PolarHBondContact O-N 3.38Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-I64 PolarHBondContact O-N 3.14Å; A62-L65 PolarHBondContact O-N 2.86Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.86Å |
| 63 | Y | 90.1 | Very high | 81.9 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 174.9 | -74.5 | -59.6 | 0 | 0 | 0 | 112.5 | L43 A59 V60 I66 L67 | L43-Y63 HydrophobicContact CD1-CD1 3.98Å; L43-Y63 HydrophobicContact CD1-CE1 3.6Å; L43-Y63 HydrophobicContact CD2-CE2 4.47Å; A59-Y63 HydrophobicContact CB-CD2 4.43Å; A59-Y63 HydrophobicContact CB-CE2 4.24Å; A59-Y63 WeakPolarHBondContact O-CD2 3.48Å; A59-Y63 PolarHBondContact O-N 2.95Å; V60-Y63 PolarHBondContact O-N 3.42Å; Y63-I66 PolarHBondContact O-N 2.96Å; Y63-L67 WeakPolarHBondContact O-CB 3.4Å; Y63-L67 PolarHBondContact O-N 3.5Å |
| 64 | I | 91.5 | Very high | 83.9 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 174 | -70.3 | 166.5 | 0 | 0 | 0 | 110.4 | V60 S61 A62 I66 L67 A68 | V60-I64 HydrophobicContact CG1-CD1 3.71Å; V60-I64 HydrophobicContact CG1-CG1 4.41Å; V60-I64 VanDerWaalsContact O-CG1 3.24Å; V60-I64 WeakPolarHBondContact O-CG1 3.32Å; V60-I64 PolarHBondContact O-N 2.95Å; S61-I64 PolarHBondContact O-N 2.76Å; A62-I64 VanDerWaalsContact C-N 3.33Å; A62-I64 PolarHBondContact O-N 3.14Å; I64-I66 VanDerWaalsContact C-N 3.35Å; I64-I66 PolarHBondContact O-N 3.48Å; I64-L67 PolarHBondContact O-N 2.96Å; I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 3.4Å |
| 65 | L | 91.9 | Very high | 86.1 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.8 | -71.7 | 173.6 | 0 | 0 | 0 | 112.4 | V35 S61 A62 G69 | V35-L65 HydrophobicContact CG1-CD2 4.14Å; S61-L65 WeakPolarHBondContact O-CG 3.35Å; S61-L65 PolarHBondContact O-N 3.39Å; A62-L65 PolarHBondContact O-N 2.86Å; L65-G69 PolarHBondContact O-N 2.88Å |
| 66 | I | 94.6 | Very high | 87.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 177.1 | -69.7 | 171.1 | 0 | 0 | 0 | 110.8 | L36 V40 L43 A62 Y63 I64 G70 | L36-I66 HydrophobicContact CD1-CB 4.2Å; L36-I66 HydrophobicContact CD1-CG1 4.4Å; L36-I66 HydrophobicContact CD1-CG2 3.76Å; L36-I66 WeakPolarHBondContact CD1-O 3.39Å; V40-I66 HydrophobicContact CG2-CD1 4.12Å; V40-I66 HydrophobicContact CG2-CG1 4.14Å; L43-I66 HydrophobicContact CD1-CD1 3.3Å; L43-I66 HydrophobicContact CG-CD1 4Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.86Å; Y63-I66 PolarHBondContact O-N 2.96Å; I64-I66 VanDerWaalsContact C-N 3.35Å; I64-I66 PolarHBondContact O-N 3.48Å; I66-G70 PolarHBondContact O-N 3.5Å |
| 67 | L | 94.1 | Very high | 89.2 | Confident | 137 Ų | 137 | 63.4 Ų | 63.4 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | -179.9 | -176.5 | 68.3 | 0 | 0 | 0 | 111.1 | Y63 I64 G70 L71 | Y63-L67 WeakPolarHBondContact O-CB 3.4Å; Y63-L67 PolarHBondContact O-N 3.5Å; I64-L67 PolarHBondContact O-N 2.96Å; L67-G70 PolarHBondContact O-N 2.95Å; L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 PolarHBondContact O-N 2.91Å |
| 68 | A | 92.4 | Very high | 90.3 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I64 G70 L71 V72 | I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 3.4Å; A68-G70 PolarHBondContact O-N 3.42Å; A68-L71 PolarHBondContact O-N 3.37Å; A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 3.23Å |
| 69 | G | 95.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L65 L71 V72 V73 | L65-G69 PolarHBondContact O-N 2.88Å; G69-L71 PolarHBondContact O-N 2.72Å; G69-V72 PolarHBondContact O-N 3.37Å; G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.33Å; G69-V73 PolarHBondContact O-N 3.34Å |
| 70 | G | 95.8 | Very high | 91.8 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I66 L67 A68 V72 V73 V74 | I66-G70 PolarHBondContact O-N 3.5Å; L67-G70 PolarHBondContact O-N 2.95Å; A68-G70 PolarHBondContact O-N 3.42Å; G70-V72 VanDerWaalsContact C-N 3.34Å; G70-V72 PolarHBondContact O-N 3.48Å; G70-V73 PolarHBondContact O-N 2.89Å; G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.09Å |
| 71 | L | 93 | Very high | 92 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 47% | 0.466 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.8 | -173.8 | 75.9 | 0 | 0 | 0 | 111.6 | L67 A68 G69 V74 T75 I101 | L67-L71 WeakPolarHBondContact O-CB 3.43Å; L67-L71 PolarHBondContact O-N 2.91Å; A68-L71 PolarHBondContact O-N 3.37Å; G69-L71 PolarHBondContact O-N 2.72Å; L71-V74 PolarHBondContact O-N 3.03Å; L71-T75 WeakPolarHBondContact O-CB 3.34Å; L71-T75 VanDerWaalsContact O-CG2 3.24Å; L71-T75 WeakPolarHBondContact O-CG2 3.47Å; L71-T75 PolarHBondContact O-N 3.47Å; L71-T75 PolarHBondContact O-OG1 2.91Å; L71-I101 HydrophobicContact CD1-CD1 4.31Å; L71-I101 HydrophobicContact CD2-CD1 4.11Å; L71-I101 HydrophobicContact CD2-CG1 4.28Å; L71-I101 HydrophobicContact CG-CD1 4.19Å |
| 72 | V | 93.8 | Very high | 92.2 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111.4 | F28 A68 G69 G70 T75 G76 | F28-V72 HydrophobicContact CB-CG1 4.24Å; F28-V72 HydrophobicContact CD1-CG1 4.08Å; F28-V72 VanDerWaalsContact O-CG1 3.22Å; F28-V72 WeakPolarHBondContact O-CG1 3.27Å; A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 3.23Å; G69-V72 PolarHBondContact O-N 3.37Å; G70-V72 VanDerWaalsContact C-N 3.34Å; G70-V72 PolarHBondContact O-N 3.48Å; V72-T75 WeakPolarHBondContact CA-OG1 3.42Å; V72-T75 PolarHBondContact O-OG1 3.27Å; V72-G76 PolarHBondContact O-N 2.7Å |
| 73 | V | 95.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | W29 A33 L36 G69 G70 T75 G76 F77 | W29-V73 VanDerWaalsContact CD1-O 3.3Å; A33-V73 HydrophobicContact CB-CG2 4.07Å; L36-V73 HydrophobicContact CD2-CG2 4.48Å; G69-V73 VanDerWaalsContact O-CG2 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.33Å; G69-V73 PolarHBondContact O-N 3.34Å; G70-V73 PolarHBondContact O-N 2.89Å; V73-T75 PolarHBondContact O-N 2.88Å; V73-G76 PolarHBondContact O-N 3.35Å; V73-F77 WeakPolarHBondContact O-CB 3.24Å; V73-F77 PolarHBondContact O-N 3.49Å |
| 74 | V | 93 | Very high | 92.1 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | -179.3 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | G70 L71 F77 L78 | G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 3.03Å; V74-F77 PolarHBondContact O-N 3.17Å; V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.5Å; V74-L78 WeakPolarHBondContact O-CB 3.35Å; V74-L78 VanDerWaalsContact O-CG 3.28Å; V74-L78 WeakPolarHBondContact O-CG 3.16Å; V74-L78 PolarHBondContact O-N 3.28Å |
| 75 | T | 91.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | -178.4 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | L71 V72 V73 L78 G79 I101 | L71-T75 WeakPolarHBondContact O-CB 3.34Å; L71-T75 VanDerWaalsContact O-CG2 3.24Å; L71-T75 WeakPolarHBondContact O-CG2 3.47Å; L71-T75 PolarHBondContact O-N 3.47Å; L71-T75 PolarHBondContact O-OG1 2.91Å; V72-T75 WeakPolarHBondContact CA-OG1 3.42Å; V72-T75 PolarHBondContact O-OG1 3.27Å; V73-T75 PolarHBondContact O-N 2.88Å; T75-L78 PolarHBondContact O-N 2.84Å; T75-G79 PolarHBondContact O-N 3.34Å; T75-I101 HydrophobicContact CG2-CD1 3.45Å; T75-I101 VanDerWaalsContact CG2-CD1 3.45Å |
| 76 | G | 92.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V72 V73 G79 C80 | V72-G76 PolarHBondContact O-N 2.7Å; V73-G76 PolarHBondContact O-N 3.35Å; G76-G79 PolarHBondContact O-N 2.91Å; G76-C80 PolarHBondContact O-N 3.37Å; G76-C80 PolarHBondContact O-SG 2.9Å |
| 77 | F | 91.8 | Very high | 90.8 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 174.2 | 179.1 | -102.4 | 0 | 0 | 0 | 111.6 | V73 V74 G79 C80 C81 | V73-F77 WeakPolarHBondContact O-CB 3.24Å; V73-F77 PolarHBondContact O-N 3.49Å; V74-F77 PolarHBondContact O-N 3.17Å; F77-G79 VanDerWaalsContact C-N 3.28Å; F77-G79 PolarHBondContact O-N 3.34Å; F77-C80 PolarHBondContact O-N 2.96Å; F77-C81 VanDerWaalsContact CE1-SG 3.57Å; F77-C81 WeakPolarHBondContact CZ-SG 3.3Å; F77-C81 WeakPolarHBondContact O-CB 3.35Å; F77-C81 PolarHBondContact O-N 3.37Å; F77-C81 PolarHBondContact O-SG 2.93Å; F77-C81 VanDerWaalsContact O-SG 3.38Å |
| 78 | L | 90.8 | Very high | 90.4 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.8 | -71.7 | 174.7 | 0 | 0 | 0 | 111.8 | V74 T75 C81 A82 F97 | V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.5Å; V74-L78 WeakPolarHBondContact O-CB 3.35Å; V74-L78 VanDerWaalsContact O-CG 3.28Å; V74-L78 WeakPolarHBondContact O-CG 3.16Å; V74-L78 PolarHBondContact O-N 3.28Å; T75-L78 PolarHBondContact O-N 2.84Å; L78-C81 PolarHBondContact O-N 3.35Å; L78-A82 VanDerWaalsContact O-CB 3.26Å; L78-A82 WeakPolarHBondContact O-CB 3.32Å; L78-A82 PolarHBondContact O-N 3.19Å; L78-F97 HydrophobicContact CD1-CD2 3.78Å; L78-F97 HydrophobicContact CD1-CE2 3.8Å |
| 79 | G | 90.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T75 G76 F77 C81 A82 V83 Y94 | T75-G79 PolarHBondContact O-N 3.34Å; G76-G79 PolarHBondContact O-N 2.91Å; F77-G79 VanDerWaalsContact C-N 3.28Å; F77-G79 PolarHBondContact O-N 3.34Å; G79-C81 PolarHBondContact O-N 2.68Å; G79-A82 PolarHBondContact O-N 3.26Å; G79-V83 WeakPolarHBondContact O-CG2 3.48Å; G79-V83 PolarHBondContact O-N 3.19Å; G79-V83 VanDerWaalsContact O-N 3.11Å; G79-Y94 VanDerWaalsContact CA-CD2 3.42Å; G79-Y94 VanDerWaalsContact CA-CE2 3.4Å |
| 80 | C | 90.7 | Very high | 89.8 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 8% | 0.081 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | F22 G76 F77 A82 V83 I84 | F22-C80 HydrophobicContact CD2-CB 4.31Å; F22-C80 HydrophobicContact CE2-CB 4.06Å; G76-C80 PolarHBondContact O-N 3.37Å; G76-C80 PolarHBondContact O-SG 2.9Å; F77-C80 PolarHBondContact O-N 2.96Å; C80-A82 VanDerWaalsContact C-N 3.33Å; C80-A82 PolarHBondContact O-N 3.45Å; C80-V83 PolarHBondContact O-N 3.48Å; C80-I84 VanDerWaalsContact O-CG1 3.32Å; C80-I84 WeakPolarHBondContact O-CG1 3.28Å; C80-I84 PolarHBondContact O-N 2.99Å |
| 81 | C | 89.7 | Confident | 89.5 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | F77 L78 G79 V83 I84 R85 | F77-C81 VanDerWaalsContact CE1-SG 3.57Å; F77-C81 WeakPolarHBondContact CZ-SG 3.3Å; F77-C81 WeakPolarHBondContact O-CB 3.35Å; F77-C81 PolarHBondContact O-N 3.37Å; F77-C81 PolarHBondContact O-SG 2.93Å; F77-C81 VanDerWaalsContact O-SG 3.38Å; L78-C81 PolarHBondContact O-N 3.35Å; G79-C81 PolarHBondContact O-N 2.68Å; C81-V83 VanDerWaalsContact C-N 3.32Å; C81-V83 PolarHBondContact O-N 3.48Å; C81-I84 PolarHBondContact O-N 2.82Å; C81-R85 VanDerWaalsContact O-CB 3.32Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 VanDerWaalsContact O-CG 3.3Å; C81-R85 WeakPolarHBondContact O-CG 3.24Å; C81-R85 PolarHBondContact O-N 3.29Å |
| 82 | A | 89.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L78 G79 C80 C90 L91 Y94 | L78-A82 VanDerWaalsContact O-CB 3.26Å; L78-A82 WeakPolarHBondContact O-CB 3.32Å; L78-A82 PolarHBondContact O-N 3.19Å; G79-A82 PolarHBondContact O-N 3.26Å; C80-A82 VanDerWaalsContact C-N 3.33Å; C80-A82 PolarHBondContact O-N 3.45Å; A82-C90 HydrophobicContact CB-CB 4.12Å; A82-L91 HydrophobicContact CB-CD2 3.97Å; A82-L91 HydrophobicContact CB-CG 4.28Å; A82-Y94 HydrophobicContact CB-CG 4.47Å |
| 83 | V | 88.6 | Confident | 89.2 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.8 | -46 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | K18 L21 F22 G79 C80 C81 E86 L245 | K18-V83 HydrophobicContact CB-CG1 4.09Å; K18-V83 HydrophobicContact CG-CG1 4.33Å; L21-V83 HydrophobicContact CB-CG2 4.08Å; L21-V83 HydrophobicContact CD2-CG2 3.67Å; L21-V83 HydrophobicContact CG-CG2 3.76Å; F22-V83 HydrophobicContact CB-CG1 4.15Å; G79-V83 WeakPolarHBondContact O-CG2 3.48Å; G79-V83 PolarHBondContact O-N 3.19Å; G79-V83 VanDerWaalsContact O-N 3.11Å; C80-V83 PolarHBondContact O-N 3.48Å; C81-V83 VanDerWaalsContact C-N 3.32Å; C81-V83 PolarHBondContact O-N 3.48Å; V83-E86 WeakPolarHBondContact O-CG 3.2Å; V83-E86 PolarHBondContact O-N 3.48Å; V83-L245 HydrophobicContact CG2-CD2 4.49Å |
| 84 | I | 87.6 | Confident | 89 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 59% | 0.59 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | -176.7 | -67 | 165.4 | 0 | 0 | 0 | 112.2 | F22 C80 C81 E86 | F22-I84 HydrophobicContact CD2-CG1 4.38Å; F22-I84 HydrophobicContact CE2-CD1 3.85Å; F22-I84 HydrophobicContact CE2-CG1 4.16Å; C80-I84 VanDerWaalsContact O-CG1 3.32Å; C80-I84 WeakPolarHBondContact O-CG1 3.28Å; C80-I84 PolarHBondContact O-N 2.99Å; C81-I84 PolarHBondContact O-N 2.82Å; I84-E86 PolarHBondContact O-N 2.69Å |
| 85 | R | 85.4 | Confident | 89 | Confident | 155 Ų | 155 | 52.2 Ų | 52.2 | 59% | 0.585 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74 | -17.2 | -175.8 | -67.3 | -170.8 | 81.4 | 169.6 | 7.2 | 112.8 | C81 Q87 | C81-R85 VanDerWaalsContact O-CB 3.32Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 VanDerWaalsContact O-CG 3.3Å; C81-R85 WeakPolarHBondContact O-CG 3.24Å; C81-R85 PolarHBondContact O-N 3.29Å; R85-Q87 HydrophobicContact CB-CB 4.46Å; R85-Q87 HydrophobicContact CB-CG 4.42Å; R85-Q87 WeakPolarHBondContact O-CG 3.42Å; R85-Q87 PolarHBondContact O-N 2.89Å |
| 86 | E | 82.4 | Confident | 89.1 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | trans | 51.3 | 25.4 | -177.7 | -54.6 | -163.9 | -179.7 | 0 | 0 | 113.7 | K18 V83 I84 I249 | K18-E86 IonicContact NZ-OE1 2.74Å; K18-E86 PolarHBondContact NZ-OE1 3.42Å; K18-E86 IonicContact NZ-OE2 3.95Å; K18-E86 PolarHBondContact NZ-OE2 3.48Å; V83-E86 WeakPolarHBondContact O-CG 3.2Å; V83-E86 PolarHBondContact O-N 3.48Å; I84-E86 PolarHBondContact O-N 2.69Å; E86-I249 HydrophobicContact CB-CD1 4.4Å; E86-I249 WeakPolarHBondContact O-CG2 3.42Å | ||
| 87 | Q | 82.9 | Confident | 89.1 | Confident | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -97.1 | 127.5 | -179.4 | -76.6 | 179.3 | -9.6 | 0 | 0 | 110.4 | R85 S89 C90 L91 | R85-Q87 HydrophobicContact CB-CB 4.46Å; R85-Q87 HydrophobicContact CB-CG 4.42Å; R85-Q87 WeakPolarHBondContact O-CG 3.42Å; R85-Q87 PolarHBondContact O-N 2.89Å; Q87-S89 PolarHBondContact O-N 2.83Å; Q87-C90 HydrophobicContact CB-CB 4.33Å; Q87-C90 PolarHBondContact O-N 3.31Å; Q87-L91 PolarHBondContact O-N 2.9Å; Q87-L91 VanDerWaalsContact O-N 3.15Å | ||
| 88 | R | 85.1 | Confident | 89.1 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54 | -39.4 | 176.9 | -73.9 | -168.2 | -179.5 | -178.9 | -2 | 113.1 | C90 L91 S92 I249 M251 | R88-C90 PolarHBondContact O-N 3.48Å; R88-L91 PolarHBondContact O-N 3.28Å; R88-S92 WeakPolarHBondContact O-CB 3.45Å; R88-S92 PolarHBondContact O-N 3.02Å; R88-I249 HydrophobicContact CG-CG2 4.24Å; R88-I249 VanDerWaalsContact CZ-O 3.24Å; R88-I249 PolarHBondContact NE-O 3.42Å; R88-I249 PolarHBondContact NH2-O 3.14Å; R88-M251 VanDerWaalsContact CZ-CG 3.45Å; R88-M251 VanDerWaalsContact NH1-CG 3.35Å |
| 89 | S | 87.6 | Confident | 89.3 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 112 | Q87 L91 S92 T93 | Q87-S89 PolarHBondContact O-N 2.83Å; S89-L91 PolarHBondContact O-N 3.3Å; S89-S92 PolarHBondContact O-N 3.46Å; S89-T93 PolarHBondContact O-N 2.94Å; S89-T93 PolarHBondContact O-OG1 3.46Å; S89-T93 VanDerWaalsContact O-OG1 3.09Å |
| 90 | C | 87.7 | Confident | 89.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 178.6 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | A82 Q87 R88 T93 Y94 | A82-C90 HydrophobicContact CB-CB 4.12Å; Q87-C90 HydrophobicContact CB-CB 4.33Å; Q87-C90 PolarHBondContact O-N 3.31Å; R88-C90 PolarHBondContact O-N 3.48Å; C90-T93 PolarHBondContact O-N 2.84Å; C90-Y94 WeakPolarHBondContact O-CB 3.37Å; C90-Y94 PolarHBondContact O-N 3.5Å |
| 91 | L | 89.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 174.5 | -75 | 166.1 | 0 | 0 | 0 | 112.3 | A82 Q87 R88 S89 Y94 F95 T242 L245 H246 I249 | A82-L91 HydrophobicContact CB-CD2 3.97Å; A82-L91 HydrophobicContact CB-CG 4.28Å; Q87-L91 PolarHBondContact O-N 2.9Å; Q87-L91 VanDerWaalsContact O-N 3.15Å; R88-L91 PolarHBondContact O-N 3.28Å; S89-L91 PolarHBondContact O-N 3.3Å; L91-Y94 PolarHBondContact O-N 2.97Å; L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 2.8Å; L91-T242 HydrophobicContact CB-CG2 4.18Å; L91-T242 HydrophobicContact CD2-CG2 3.98Å; L91-T242 WeakPolarHBondContact O-CG2 3.19Å; L91-L245 HydrophobicContact CD1-CD2 4.23Å; L91-L245 HydrophobicContact CD1-CG 4.07Å; L91-L245 HydrophobicContact CD2-CD2 3.99Å; L91-H246 HydrophobicContact CD1-CB 4.47Å; L91-I249 HydrophobicContact CD1-CD1 3.35Å |
| 92 | S | 90.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | R88 S89 F95 F96 | R88-S92 WeakPolarHBondContact O-CB 3.45Å; R88-S92 PolarHBondContact O-N 3.02Å; S89-S92 PolarHBondContact O-N 3.46Å; S92-F95 PolarHBondContact O-N 3.4Å; S92-F96 PolarHBondContact O-N 3.11Å |
| 93 | T | 90.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | S89 C90 F96 F97 | S89-T93 PolarHBondContact O-N 2.94Å; S89-T93 PolarHBondContact O-OG1 3.46Å; S89-T93 VanDerWaalsContact O-OG1 3.09Å; C90-T93 PolarHBondContact O-N 2.84Å; T93-F96 PolarHBondContact O-N 3.41Å; T93-F97 HydrophobicContact CG2-CD2 3.86Å; T93-F97 HydrophobicContact CG2-CE2 3.56Å; T93-F97 WeakPolarHBondContact O-CD2 3.44Å; T93-F97 PolarHBondContact O-N 3.3Å; T93-F97 VanDerWaalsContact O-N 3.11Å |
| 94 | Y | 91.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 69.6 Ų | 69.6 | 2% | 0.024 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.9 | 175.1 | -113.7 | 0 | 0 | 0 | 112 | L21 N25 G79 A82 C90 L91 F96 F97 L98 T242 | L21-Y94 HydrophobicContact CD1-CE1 4.41Å; N25-Y94 VanDerWaalsContact CG-OH 3.3Å; N25-Y94 PolarHBondContact ND2-OH 3.49Å; N25-Y94 VanDerWaalsContact ND2-OH 3.07Å; N25-Y94 WeakPolarHBondContact OD1-CE2 3.2Å; N25-Y94 PolarHBondContact OD1-OH 2.79Å; G79-Y94 VanDerWaalsContact CA-CD2 3.42Å; G79-Y94 VanDerWaalsContact CA-CE2 3.4Å; A82-Y94 HydrophobicContact CB-CG 4.47Å; C90-Y94 WeakPolarHBondContact O-CB 3.37Å; C90-Y94 PolarHBondContact O-N 3.5Å; L91-Y94 PolarHBondContact O-N 2.97Å; Y94-F96 VanDerWaalsContact C-N 3.33Å; Y94-F96 PolarHBondContact O-N 3.44Å; Y94-F97 PolarHBondContact O-N 3.01Å; Y94-L98 HydrophobicContact CD1-CD1 4.12Å; Y94-L98 HydrophobicContact CD2-CG 4.49Å; Y94-L98 HydrophobicContact CE1-CD1 3.49Å; Y94-L98 VanDerWaalsContact CE1-CD1 3.49Å; Y94-L98 HydrophobicContact CE1-CG 4.18Å; Y94-L98 HydrophobicContact CE2-CD1 4.23Å; Y94-L98 HydrophobicContact CE2-CD2 4.2Å; Y94-L98 HydrophobicContact CE2-CG 4.08Å; Y94-L98 PolarHBondContact O-N 3.11Å; Y94-T242 HydrophobicContact CD1-CG2 3.99Å; Y94-T242 WeakPolarHBondContact CD1-OG1 3.3Å; Y94-T242 VanDerWaalsContact CE1-OG1 3.32Å; Y94-T242 WeakPolarHBondContact CE1-OG1 3.38Å |
| 95 | F | 93.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.7 | 179.4 | -89.6 | 0 | 0 | 0 | 112.2 | L91 S92 F97 L98 L99 M239 T242 C243 | L91-F95 WeakPolarHBondContact O-CB 3.39Å; L91-F95 PolarHBondContact O-N 2.8Å; S92-F95 PolarHBondContact O-N 3.4Å; F95-F97 VanDerWaalsContact C-N 3.35Å; F95-F97 PolarHBondContact O-N 3.45Å; F95-L98 PolarHBondContact O-N 2.91Å; F95-L99 HydrophobicContact CE1-CD2 4.28Å; F95-L99 WeakPolarHBondContact O-CB 3.47Å; F95-L99 PolarHBondContact O-N 2.77Å; F95-M239 HydrophobicContact CD2-CB 4.13Å; F95-M239 HydrophobicContact CD2-CG 4.07Å; F95-M239 HydrophobicContact CE2-CB 3.79Å; F95-M239 HydrophobicContact CE2-CG 3.91Å; F95-M239 HydrophobicContact CE2-SD 4.18Å; F95-M239 HydrophobicContact CZ-SD 4.44Å; F95-T242 HydrophobicContact CB-CG2 3.99Å; F95-C243 WeakPolarHBondContact CE2-SG 3.45Å |
| 96 | F | 93.3 | Very high | 91.1 | Very high | 123 Ų | 123 | 64.2 Ų | 64.2 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 178.2 | 174.5 | -97.9 | 0 | 0 | 0 | 112.1 | S92 T93 Y94 L99 L100 | S92-F96 PolarHBondContact O-N 3.11Å; T93-F96 PolarHBondContact O-N 3.41Å; Y94-F96 VanDerWaalsContact C-N 3.33Å; Y94-F96 PolarHBondContact O-N 3.44Å; F96-L99 PolarHBondContact O-N 2.93Å; F96-L100 WeakPolarHBondContact O-CB 3.38Å; F96-L100 PolarHBondContact O-N 2.92Å |
| 97 | F | 91.8 | Very high | 91.7 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.3 | -78.2 | -65.2 | 0 | 0 | 0 | 112.6 | L78 T93 Y94 F95 L99 L100 I101 | L78-F97 HydrophobicContact CD1-CD2 3.78Å; L78-F97 HydrophobicContact CD1-CE2 3.8Å; T93-F97 HydrophobicContact CG2-CD2 3.86Å; T93-F97 HydrophobicContact CG2-CE2 3.56Å; T93-F97 WeakPolarHBondContact O-CD2 3.44Å; T93-F97 PolarHBondContact O-N 3.3Å; T93-F97 VanDerWaalsContact O-N 3.11Å; Y94-F97 PolarHBondContact O-N 3.01Å; F95-F97 VanDerWaalsContact C-N 3.35Å; F95-F97 PolarHBondContact O-N 3.45Å; F97-L99 VanDerWaalsContact C-N 3.32Å; F97-L99 PolarHBondContact O-N 3.26Å; F97-L100 PolarHBondContact O-N 3.01Å; F97-I101 VanDerWaalsContact O-CG1 3.28Å; F97-I101 WeakPolarHBondContact O-CG1 3.5Å; F97-I101 PolarHBondContact O-N 3.43Å |
| 98 | L | 92.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.2 | -73 | -176.5 | 0 | 0 | 0 | 111.7 | Y94 F95 I101 F102 M239 | Y94-L98 HydrophobicContact CD1-CD1 4.12Å; Y94-L98 HydrophobicContact CD2-CG 4.49Å; Y94-L98 HydrophobicContact CE1-CD1 3.49Å; Y94-L98 VanDerWaalsContact CE1-CD1 3.49Å; Y94-L98 HydrophobicContact CE1-CG 4.18Å; Y94-L98 HydrophobicContact CE2-CD1 4.23Å; Y94-L98 HydrophobicContact CE2-CD2 4.2Å; Y94-L98 HydrophobicContact CE2-CG 4.08Å; Y94-L98 PolarHBondContact O-N 3.11Å; F95-L98 PolarHBondContact O-N 2.91Å; L98-I101 PolarHBondContact O-N 3.41Å; L98-F102 WeakPolarHBondContact O-CB 3.31Å; L98-F102 PolarHBondContact O-N 3.28Å; L98-M239 HydrophobicContact CB-CG 3.84Å; L98-M239 HydrophobicContact CB-SD 4.44Å; L98-M239 HydrophobicContact CD1-CG 4.01Å |
| 99 | L | 94.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 60 Ų | 60 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.7 | 180 | 63.4 | 0 | 0 | 0 | 111.7 | F95 F96 F97 I101 F102 L103 M239 | F95-L99 HydrophobicContact CE1-CD2 4.28Å; F95-L99 WeakPolarHBondContact O-CB 3.47Å; F95-L99 PolarHBondContact O-N 2.77Å; F96-L99 PolarHBondContact O-N 2.93Å; F97-L99 VanDerWaalsContact C-N 3.32Å; F97-L99 PolarHBondContact O-N 3.26Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 3.29Å; L99-F102 PolarHBondContact O-N 3.47Å; L99-L103 HydrophobicContact CG-CD1 4.41Å; L99-L103 WeakPolarHBondContact O-CG 3.44Å; L99-L103 PolarHBondContact O-N 3.15Å; L99-M239 HydrophobicContact CB-SD 4.28Å; L99-M239 HydrophobicContact CD1-SD 4.35Å |
| 100 | L | 93.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178.3 | -179.6 | 64 | 0 | 0 | 0 | 111.4 | F96 F97 L103 I104 | F96-L100 WeakPolarHBondContact O-CB 3.38Å; F96-L100 PolarHBondContact O-N 2.92Å; F97-L100 PolarHBondContact O-N 3.01Å; L100-L103 PolarHBondContact O-N 3.39Å; L100-I104 HydrophobicContact CD1-CD1 4.38Å; L100-I104 HydrophobicContact CG-CD1 4.12Å; L100-I104 WeakPolarHBondContact O-CG1 3.32Å; L100-I104 PolarHBondContact O-N 3.04Å |
| 101 | I | 92.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.2 | -68 | 168.4 | 0 | 0 | 0 | 110.4 | L71 T75 F97 L98 L99 L103 I104 E105 | L71-I101 HydrophobicContact CD1-CD1 4.31Å; L71-I101 HydrophobicContact CD2-CD1 4.11Å; L71-I101 HydrophobicContact CD2-CG1 4.28Å; L71-I101 HydrophobicContact CG-CD1 4.19Å; T75-I101 HydrophobicContact CG2-CD1 3.45Å; T75-I101 VanDerWaalsContact CG2-CD1 3.45Å; F97-I101 VanDerWaalsContact O-CG1 3.28Å; F97-I101 WeakPolarHBondContact O-CG1 3.5Å; F97-I101 PolarHBondContact O-N 3.43Å; L98-I101 PolarHBondContact O-N 3.41Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-I101 PolarHBondContact O-N 3.29Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.31Å; I101-I104 PolarHBondContact O-N 2.93Å; I101-I104 VanDerWaalsContact O-N 3.12Å; I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CG 3.49Å; I101-E105 PolarHBondContact O-N 3.48Å |
| 102 | F | 95.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 65 Ų | 65 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 176 | 178.1 | -97.7 | 0 | 0 | 0 | 112.4 | L98 L99 E105 L106 A232 Q235 I236 M239 | L98-F102 WeakPolarHBondContact O-CB 3.31Å; L98-F102 PolarHBondContact O-N 3.28Å; L99-F102 PolarHBondContact O-N 3.47Å; F102-E105 PolarHBondContact O-N 3.47Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 2.92Å; F102-A232 HydrophobicContact CD2-CB 4.49Å; F102-A232 HydrophobicContact CE2-CB 4.14Å; F102-Q235 VanDerWaalsContact CA-OE1 3.3Å; F102-I236 HydrophobicContact CD2-CG1 4.49Å; F102-I236 HydrophobicContact CE2-CD1 3.95Å; F102-I236 HydrophobicContact CE2-CG1 4.05Å; F102-I236 HydrophobicContact CZ-CD1 4.3Å; F102-M239 HydrophobicContact CB-CE 4.33Å; F102-M239 HydrophobicContact CD2-CE 4.43Å; F102-M239 HydrophobicContact CG-CE 4.22Å |
| 103 | L | 95.7 | Very high | 93.1 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.7 | -69 | 175.2 | 0 | 0 | 0 | 112.1 | L99 L100 I101 L106 V107 | L99-L103 HydrophobicContact CG-CD1 4.41Å; L99-L103 WeakPolarHBondContact O-CG 3.44Å; L99-L103 PolarHBondContact O-N 3.15Å; L100-L103 PolarHBondContact O-N 3.39Å; I101-L103 VanDerWaalsContact C-N 3.29Å; I101-L103 PolarHBondContact O-N 3.31Å; L103-L106 PolarHBondContact O-N 2.95Å; L103-V107 WeakPolarHBondContact O-CG2 3.19Å; L103-V107 PolarHBondContact O-N 3.29Å |
| 104 | I | 93.8 | Very high | 93 | Very high | 103 Ų | 103 | 69.6 Ų | 69.6 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 175.4 | -68.9 | 166.8 | 0 | 0 | 0 | 110.4 | L100 I101 L106 V107 A108 | L100-I104 HydrophobicContact CD1-CD1 4.38Å; L100-I104 HydrophobicContact CG-CD1 4.12Å; L100-I104 WeakPolarHBondContact O-CG1 3.32Å; L100-I104 PolarHBondContact O-N 3.04Å; I101-I104 PolarHBondContact O-N 2.93Å; I101-I104 VanDerWaalsContact O-N 3.12Å; I104-L106 PolarHBondContact O-N 2.89Å; I104-V107 PolarHBondContact O-N 3.25Å; I104-A108 VanDerWaalsContact O-CB 3.29Å; I104-A108 WeakPolarHBondContact O-CB 3.39Å; I104-A108 PolarHBondContact O-N 2.88Å |
| 105 | E | 92.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 76.4 Ų | 76.4 | 29% | 0.29 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 177 | -75.8 | -179.6 | -173.3 | 0 | 0 | 112.1 | I101 F102 A108 G109 Q235 | I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CG 3.49Å; I101-E105 PolarHBondContact O-N 3.48Å; F102-E105 PolarHBondContact O-N 3.47Å; E105-A108 PolarHBondContact O-N 2.92Å; E105-G109 PolarHBondContact O-N 2.71Å; E105-Q235 PolarHBondContact OE1-NE2 3.48Å; E105-Q235 PolarHBondContact OE2-NE2 3.08Å; E105-Q235 VanDerWaalsContact OE2-NE2 3.11Å; E105-Q235 PolarHBondContact OE2-OE1 3.41Å |
| 106 | L | 95.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 76.1 Ų | 76.1 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.3 | -178.6 | 67.5 | 0 | 0 | 0 | 111.1 | F102 L103 I104 G109 V110 | F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 2.92Å; L103-L106 PolarHBondContact O-N 2.95Å; I104-L106 PolarHBondContact O-N 2.89Å; L106-G109 PolarHBondContact O-N 3.26Å; L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.36Å; L106-V110 PolarHBondContact O-N 2.92Å |
| 107 | V | 96.1 | Very high | 92 | Very high | 85 Ų | 85 | 74.4 Ų | 74.4 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | L103 I104 G109 V110 L111 | L103-V107 WeakPolarHBondContact O-CG2 3.19Å; L103-V107 PolarHBondContact O-N 3.29Å; I104-V107 PolarHBondContact O-N 3.25Å; V107-G109 PolarHBondContact O-N 2.93Å; V107-V110 PolarHBondContact O-N 3.29Å; V107-L111 HydrophobicContact CG1-CD1 3.89Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.43Å; V107-L111 PolarHBondContact O-N 3.42Å |
| 108 | A | 92 | Very high | 91.7 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I104 E105 L111 A112 | I104-A108 VanDerWaalsContact O-CB 3.29Å; I104-A108 WeakPolarHBondContact O-CB 3.39Å; I104-A108 PolarHBondContact O-N 2.88Å; E105-A108 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 3.34Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.22Å; A108-A112 PolarHBondContact O-N 3.41Å |
| 109 | G | 93.3 | Very high | 91.1 | Very high | 44 Ų | 44 | 82 Ų | 82 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E105 L106 V107 A112 Y113 | E105-G109 PolarHBondContact O-N 2.71Å; L106-G109 PolarHBondContact O-N 3.26Å; V107-G109 PolarHBondContact O-N 2.93Å; G109-A112 PolarHBondContact O-N 3.35Å; G109-Y113 PolarHBondContact O-N 3.26Å |
| 110 | V | 93.8 | Very high | 90.3 | Very high | 83 Ų | 83 | 79.8 Ų | 79.8 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 175 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L106 V107 Y113 V114 | L106-V110 VanDerWaalsContact O-CG2 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.36Å; L106-V110 PolarHBondContact O-N 2.92Å; V107-V110 PolarHBondContact O-N 3.29Å; V110-Y113 PolarHBondContact O-N 2.89Å; V110-V114 HydrophobicContact CG1-CG2 4.46Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.46Å |
| 111 | L | 92.8 | Very high | 89.7 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 177 | -72.4 | 176 | 0 | 0 | 0 | 111.3 | V107 A108 Y113 V114 Y115 | V107-L111 HydrophobicContact CG1-CD1 3.89Å; V107-L111 HydrophobicContact CG1-CG 4.28Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.43Å; V107-L111 PolarHBondContact O-N 3.42Å; A108-L111 PolarHBondContact O-N 3.34Å; L111-Y113 VanDerWaalsContact C-N 3.31Å; L111-Y113 PolarHBondContact O-N 3.4Å; L111-V114 PolarHBondContact O-N 3.11Å; L111-Y115 HydrophobicContact CB-CD2 4.25Å; L111-Y115 HydrophobicContact CB-CE2 4.33Å; L111-Y115 HydrophobicContact CD2-CE2 4.33Å; L111-Y115 WeakPolarHBondContact O-CB 3.29Å; L111-Y115 WeakPolarHBondContact O-CD2 3.26Å; L111-Y115 PolarHBondContact O-N 3.17Å |
| 112 | A | 89.6 | Confident | 89.2 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 44% | 0.438 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A108 G109 Y116 | A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.22Å; A108-A112 PolarHBondContact O-N 3.41Å; G109-A112 PolarHBondContact O-N 3.35Å; A112-Y116 VanDerWaalsContact O-CB 3.32Å; A112-Y116 WeakPolarHBondContact O-CB 3Å; A112-Y116 PolarHBondContact O-N 3.41Å |
| 113 | Y | 89.3 | Confident | 88.4 | Confident | 151 Ų | 151 | 85.5 Ų | 85.5 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 175.4 | 178.4 | -99.6 | 0 | 0 | 0 | 112.3 | G109 V110 L111 Y116 Q117 | G109-Y113 PolarHBondContact O-N 3.26Å; V110-Y113 PolarHBondContact O-N 2.89Å; L111-Y113 VanDerWaalsContact C-N 3.31Å; L111-Y113 PolarHBondContact O-N 3.4Å; Y113-Y116 PolarHBondContact O-N 2.97Å; Y113-Q117 HydrophobicContact CE1-CG 4.25Å; Y113-Q117 WeakPolarHBondContact O-CG 3.31Å; Y113-Q117 PolarHBondContact O-N 3.37Å; Y113-Q117 VanDerWaalsContact O-N 3.16Å |
| 114 | V | 90.6 | Very high | 87.6 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 111 | V110 L111 Q117 R118 | V110-V114 HydrophobicContact CG1-CG2 4.46Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.46Å; L111-V114 PolarHBondContact O-N 3.11Å; V114-Q117 PolarHBondContact O-N 2.92Å; V114-R118 WeakPolarHBondContact O-CG 3.46Å; V114-R118 PolarHBondContact O-N 3.34Å |
| 115 | Y | 85.6 | Confident | 86.8 | Confident | 149 Ų | 149 | 86 Ų | 86 | 58% | 0.584 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 177.6 | -81.5 | -63.8 | 0 | 0 | 0 | 111.9 | L111 Q117 R118 L119 | L111-Y115 HydrophobicContact CB-CD2 4.25Å; L111-Y115 HydrophobicContact CB-CE2 4.33Å; L111-Y115 HydrophobicContact CD2-CE2 4.33Å; L111-Y115 WeakPolarHBondContact O-CB 3.29Å; L111-Y115 WeakPolarHBondContact O-CD2 3.26Å; L111-Y115 PolarHBondContact O-N 3.17Å; Y115-Q117 VanDerWaalsContact C-N 3.32Å; Y115-Q117 PolarHBondContact O-N 3.46Å; Y115-R118 PolarHBondContact O-N 3.03Å; Y115-R118 VanDerWaalsContact O-N 3.13Å; Y115-L119 VanDerWaalsContact O-CB 3.29Å; Y115-L119 WeakPolarHBondContact O-CB 3.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.34Å; Y115-L119 PolarHBondContact O-N 3.2Å |
| 116 | Y | 85.4 | Confident | 86.6 | Confident | 56 Ų | 56 | 88.3 Ų | 88.3 | 22% | 0.22 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 175.5 | 173.2 | -114.1 | 0 | 0 | 0 | 112.2 | A112 Y113 R118 L119 S120 L217 A218 L221 | A112-Y116 VanDerWaalsContact O-CB 3.32Å; A112-Y116 WeakPolarHBondContact O-CB 3Å; A112-Y116 PolarHBondContact O-N 3.41Å; Y113-Y116 PolarHBondContact O-N 2.97Å; Y116-R118 VanDerWaalsContact C-N 3.26Å; Y116-R118 PolarHBondContact O-N 3.23Å; Y116-L119 PolarHBondContact O-N 2.83Å; Y116-S120 PolarHBondContact O-N 2.89Å; Y116-S120 VanDerWaalsContact O-N 3.07Å; Y116-L217 HydrophobicContact CE2-CB 4.13Å; Y116-A218 WeakPolarHBondContact OH-CB 3.36Å; Y116-L221 HydrophobicContact CD1-CD1 4.09Å; Y116-L221 HydrophobicContact CD2-CD1 2.98Å; Y116-L221 HydrophobicContact CD2-CG 4.48Å; Y116-L221 HydrophobicContact CE1-CD1 4.38Å; Y116-L221 HydrophobicContact CE2-CD1 3.33Å; Y116-L221 HydrophobicContact CG-CD1 3.38Å |
| 117 | Q | 85.2 | Confident | 86.3 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -34 | 177.1 | -68.7 | -69.1 | -34.9 | 0 | 0 | 112.6 | Y113 V114 Y115 S120 | Y113-Q117 HydrophobicContact CE1-CG 4.25Å; Y113-Q117 WeakPolarHBondContact O-CG 3.31Å; Y113-Q117 PolarHBondContact O-N 3.37Å; Y113-Q117 VanDerWaalsContact O-N 3.16Å; V114-Q117 PolarHBondContact O-N 2.92Å; Y115-Q117 VanDerWaalsContact C-N 3.32Å; Y115-Q117 PolarHBondContact O-N 3.46Å; Q117-S120 PolarHBondContact O-OG 3.48Å |
| 118 | R | 85.1 | Confident | 86.1 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -77.4 | -41.7 | 176.2 | -64.8 | -64.7 | -179.2 | 171.6 | -1.3 | 112.2 | V114 Y115 Y116 S120 D121 E122 | V114-R118 WeakPolarHBondContact O-CG 3.46Å; V114-R118 PolarHBondContact O-N 3.34Å; Y115-R118 PolarHBondContact O-N 3.03Å; Y115-R118 VanDerWaalsContact O-N 3.13Å; Y116-R118 VanDerWaalsContact C-N 3.26Å; Y116-R118 PolarHBondContact O-N 3.23Å; R118-S120 VanDerWaalsContact C-N 3.3Å; R118-S120 PolarHBondContact O-N 2.83Å; R118-D121 PolarHBondContact O-N 2.98Å; R118-E122 PolarHBondContact O-N 2.97Å; R118-E122 VanDerWaalsContact O-N 3.08Å |
| 119 | L | 80.3 | Confident | 86.1 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 45% | 0.45 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | -179.5 | -77.1 | 168.6 | 0 | 0 | 0 | 111.5 | Y115 Y116 D121 L123 | Y115-L119 VanDerWaalsContact O-CB 3.29Å; Y115-L119 WeakPolarHBondContact O-CB 3.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.34Å; Y115-L119 PolarHBondContact O-N 3.2Å; Y116-L119 PolarHBondContact O-N 2.83Å; L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 3.12Å; L119-L123 WeakPolarHBondContact O-CA 3.44Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 3.33Å |
| 120 | S | 78.2 | Confident | 86 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 13% | 0.133 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | Y116 Q117 R118 K124 | Y116-S120 PolarHBondContact O-N 2.89Å; Y116-S120 VanDerWaalsContact O-N 3.07Å; Q117-S120 PolarHBondContact O-OG 3.48Å; R118-S120 VanDerWaalsContact C-N 3.3Å; R118-S120 PolarHBondContact O-N 2.83Å; S120-K124 WeakPolarHBondContact O-CG 3.5Å |
| 121 | D | 80.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -79.1 | -47.1 | 179.8 | -68.1 | -22 | 0 | 0 | 0 | 111.4 | R118 L119 L123 K124 | R118-D121 PolarHBondContact O-N 2.98Å; L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 3.12Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.93Å; D121-K124 PolarHBondContact O-N 3.38Å |
| 122 | E | 81.8 | Confident | 85.9 | Confident | 112 Ų | 112 | 77.3 Ų | 77.3 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.4 | -73.9 | -177 | -176.6 | 0 | 0 | 112 | R118 K124 E125 H126 | R118-E122 PolarHBondContact O-N 2.97Å; R118-E122 VanDerWaalsContact O-N 3.08Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.02Å; E122-E125 PolarHBondContact O-N 3.33Å; E122-H126 VanDerWaalsContact O-CB 3.3Å; E122-H126 WeakPolarHBondContact O-CB 3.47Å; E122-H126 PolarHBondContact O-N 3.05Å; E122-H126 PolarHBondContact O-ND1 3.31Å |
| 123 | L | 80.3 | Confident | 86.1 | Confident | 43 Ų | 43 | 80.2 Ų | 80.2 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 178.4 | 179.1 | 66.9 | 0 | 0 | 0 | 111.6 | L119 D121 E125 L127 L213 | L119-L123 WeakPolarHBondContact O-CA 3.44Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 3.33Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.93Å; L123-E125 PolarHBondContact O-N 3.45Å; L123-L127 WeakPolarHBondContact O-CB 3.49Å; L123-L127 PolarHBondContact O-N 3.46Å; L123-L213 HydrophobicContact CD1-CD2 3.73Å; L123-L213 HydrophobicContact CD2-CB 4.48Å; L123-L213 HydrophobicContact CD2-CD2 3.74Å; L123-L213 HydrophobicContact CD2-CG 3.93Å; L123-L213 HydrophobicContact CG-CD2 4.18Å |
| 124 | K | 77.4 | Confident | 86.4 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 179.6 | -74.4 | 177.6 | 179.6 | 157.1 | 0 | 111.9 | S120 D121 E122 I210 E214 | S120-K124 WeakPolarHBondContact O-CG 3.5Å; D121-K124 PolarHBondContact O-N 3.38Å; E122-K124 VanDerWaalsContact C-N 3.28Å; E122-K124 PolarHBondContact O-N 3.02Å; K124-I210 HydrophobicContact CB-CD1 4.08Å; K124-I210 HydrophobicContact CD-CG2 4.24Å; K124-I210 HydrophobicContact CG-CD1 4.06Å; K124-I210 HydrophobicContact CG-CG2 3.57Å; K124-E214 WeakPolarHBondContact CE-OE1 3.36Å; K124-E214 WeakPolarHBondContact CE-OE2 3.44Å; K124-E214 IonicContact NZ-OE1 3.78Å; K124-E214 PolarHBondContact NZ-OE1 2.91Å; K124-E214 IonicContact NZ-OE2 3.7Å; K124-E214 PolarHBondContact NZ-OE2 3.36Å |
| 125 | E | 78.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.5 | -46.8 | -177.7 | -168 | 172.4 | -178 | 0 | 0 | 111.2 | E122 L123 Q129 | E122-E125 PolarHBondContact O-N 3.33Å; L123-E125 PolarHBondContact O-N 3.45Å; E125-Q129 WeakPolarHBondContact O-CG 3.32Å; E125-Q129 PolarHBondContact O-N 3.39Å |
| 126 | H | 86.8 | Confident | 87 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -36.8 | -177.3 | -84.2 | 52.6 | 0 | 0 | 0 | 113 | E122 T130 | E122-H126 VanDerWaalsContact O-CB 3.3Å; E122-H126 WeakPolarHBondContact O-CB 3.47Å; E122-H126 PolarHBondContact O-N 3.05Å; E122-H126 PolarHBondContact O-ND1 3.31Å; H126-T130 WeakPolarHBondContact O-CB 3.43Å; H126-T130 PolarHBondContact O-N 3.49Å; H126-T130 PolarHBondContact O-OG1 2.78Å |
| 127 | L | 89.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | -179.2 | -172.6 | 63.4 | 0 | 0 | 0 | 110.9 | L123 T130 M131 L150 C209 I210 | L123-L127 WeakPolarHBondContact O-CB 3.49Å; L123-L127 PolarHBondContact O-N 3.46Å; L127-T130 PolarHBondContact O-N 2.97Å; L127-M131 HydrophobicContact CD1-CE 3.8Å; L127-M131 HydrophobicContact CD1-CG 4.42Å; L127-M131 HydrophobicContact CD2-CE 4.02Å; L127-M131 HydrophobicContact CG-CE 3.85Å; L127-M131 WeakPolarHBondContact O-CB 3.35Å; L127-M131 WeakPolarHBondContact O-CG 3.17Å; L127-M131 PolarHBondContact O-N 2.86Å; L127-L150 HydrophobicContact CD1-CD2 3.84Å; L127-L150 HydrophobicContact CD2-CD2 4.04Å; L127-C209 HydrophobicContact CD2-CB 4.35Å; L127-I210 HydrophobicContact CD2-CG1 3.84Å |
| 128 | N | 91.3 | Very high | 87.6 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 178.6 | -168.5 | 8.1 | 0 | 0 | 0 | 111.3 | T130 M131 T132 S159 | N128-T130 VanDerWaalsContact C-N 3.3Å; N128-T130 PolarHBondContact O-N 3.29Å; N128-M131 PolarHBondContact O-N 3.36Å; N128-T132 WeakPolarHBondContact O-CB 3.45Å; N128-T132 WeakPolarHBondContact O-CG2 3.36Å; N128-T132 PolarHBondContact O-N 3.46Å; N128-T132 PolarHBondContact O-OG1 3.44Å; N128-T132 WeakPolarHBondContact OD1-CG2 3.07Å; N128-S159 WeakPolarHBondContact CA-OG 3.22Å; N128-S159 WeakPolarHBondContact CB-OG 3.35Å; N128-S159 PolarHBondContact N-OG 3Å |
| 129 | Q | 91.4 | Very high | 87.8 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.3 | -71.2 | 174.6 | -1.2 | 0 | 0 | 111.4 | E125 T132 E133 | E125-Q129 WeakPolarHBondContact O-CG 3.32Å; E125-Q129 PolarHBondContact O-N 3.39Å; Q129-T132 PolarHBondContact O-N 3.41Å; Q129-T132 PolarHBondContact O-OG1 3.26Å; Q129-E133 VanDerWaalsContact O-CB 3.3Å; Q129-E133 WeakPolarHBondContact O-CB 3.36Å; Q129-E133 PolarHBondContact O-N 2.89Å |
| 130 | T | 91.4 | Very high | 88.4 | Confident | 40 Ų | 40 | 61 Ų | 61 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -63.9 | -45.6 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 112 | H126 L127 N128 N134 Y135 I143 | H126-T130 WeakPolarHBondContact O-CB 3.43Å; H126-T130 PolarHBondContact O-N 3.49Å; H126-T130 PolarHBondContact O-OG1 2.78Å; L127-T130 PolarHBondContact O-N 2.97Å; N128-T130 VanDerWaalsContact C-N 3.3Å; N128-T130 PolarHBondContact O-N 3.29Å; T130-N134 HydrophobicContact CG2-CB 4.33Å; T130-N134 WeakPolarHBondContact O-CA 3.04Å; T130-N134 VanDerWaalsContact O-CB 3.27Å; T130-N134 WeakPolarHBondContact O-CB 3.24Å; T130-N134 PolarHBondContact O-N 3.41Å; T130-Y135 PolarHBondContact O-N 3.36Å; T130-I143 HydrophobicContact CG2-CG2 3.39Å |
| 131 | M | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -66.8 | -39.5 | 177.6 | -71.4 | -168.3 | -178.4 | 0 | 0 | 112.3 | L127 N128 Y135 V147 L150 W165 C209 | L127-M131 HydrophobicContact CD1-CE 3.8Å; L127-M131 HydrophobicContact CD1-CG 4.42Å; L127-M131 HydrophobicContact CD2-CE 4.02Å; L127-M131 HydrophobicContact CG-CE 3.85Å; L127-M131 WeakPolarHBondContact O-CB 3.35Å; L127-M131 WeakPolarHBondContact O-CG 3.17Å; L127-M131 PolarHBondContact O-N 2.86Å; N128-M131 PolarHBondContact O-N 3.36Å; M131-Y135 WeakPolarHBondContact O-CB 3.41Å; M131-V147 HydrophobicContact CE-CG1 4.19Å; M131-V147 HydrophobicContact CG-CG1 4.07Å; M131-V147 HydrophobicContact CG-CG2 4.07Å; M131-V147 HydrophobicContact SD-CG1 4.42Å; M131-L150 HydrophobicContact CE-CD2 3.47Å; M131-L150 VanDerWaalsContact CE-CD2 3.47Å; M131-W165 HydrophobicContact CB-CH2 4.14Å; M131-W165 HydrophobicContact CB-CZ2 4.3Å; M131-W165 HydrophobicContact CG-CZ2 4.49Å; M131-W165 WeakPolarHBondContact O-CZ3 3.29Å; M131-W165 HydrophobicContact SD-CZ2 4.26Å; M131-C209 HydrophobicContact CE-CB 3.99Å |
| 132 | T | 92.9 | Very high | 89.3 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -82.5 | -36.4 | -173.9 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | N128 Q129 S168 V169 | N128-T132 WeakPolarHBondContact O-CB 3.45Å; N128-T132 WeakPolarHBondContact O-CG2 3.36Å; N128-T132 PolarHBondContact O-N 3.46Å; N128-T132 PolarHBondContact O-OG1 3.44Å; N128-T132 WeakPolarHBondContact OD1-CG2 3.07Å; Q129-T132 PolarHBondContact O-N 3.41Å; Q129-T132 PolarHBondContact O-OG1 3.26Å; T132-S168 CarbonylContact O-C 3.48Å; T132-S168 WeakPolarHBondContact O-CA 3.39Å; T132-S168 WeakPolarHBondContact O-CB 3.05Å; T132-V169 PolarHBondContact O-N 3.5Å |
| 133 | E | 93.8 | Very high | 89.7 | Confident | 115 Ų | 115 | 62 Ų | 62 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -103.5 | -32.4 | -173.7 | -57.9 | -172.3 | 177.4 | 0 | 0 | 113.7 | Q129 Q137 | Q129-E133 VanDerWaalsContact O-CB 3.3Å; Q129-E133 WeakPolarHBondContact O-CB 3.36Å; Q129-E133 PolarHBondContact O-N 2.89Å; E133-Q137 WeakPolarHBondContact O-CG 3.48Å |
| 134 | N | 94.3 | Very high | 90.4 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -105.1 | -15.5 | -169.2 | -62 | -39.9 | 0 | 0 | 0 | 114.1 | T130 Q137 K140 I143 | T130-N134 HydrophobicContact CG2-CB 4.33Å; T130-N134 WeakPolarHBondContact O-CA 3.04Å; T130-N134 VanDerWaalsContact O-CB 3.27Å; T130-N134 WeakPolarHBondContact O-CB 3.24Å; T130-N134 PolarHBondContact O-N 3.41Å; N134-Q137 PolarHBondContact O-N 2.92Å; N134-K140 HydrophobicContact CB-CD 3.85Å; N134-K140 PolarHBondContact OD1-NZ 2.99Å; N134-I143 HydrophobicContact CB-CD1 4.1Å; N134-I143 HydrophobicContact CB-CG2 4.11Å |
| 135 | Y | 94.9 | Very high | 91.1 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 6% | 0.059 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 133.8 | 178.8 | -173.8 | -96.3 | 0 | 0 | 0 | 112.1 | T130 M131 Q137 T144 V147 D148 W165 Y170 P182 | T130-Y135 PolarHBondContact O-N 3.36Å; M131-Y135 WeakPolarHBondContact O-CB 3.41Å; Y135-Q137 PolarHBondContact O-N 2.91Å; Y135-Q137 VanDerWaalsContact O-N 3.14Å; Y135-T144 HydrophobicContact CD2-CG2 4.11Å; Y135-T144 HydrophobicContact CE1-CG2 4.45Å; Y135-T144 HydrophobicContact CE2-CG2 3.59Å; Y135-V147 HydrophobicContact CD2-CB 3.77Å; Y135-V147 HydrophobicContact CD2-CG1 3.65Å; Y135-V147 HydrophobicContact CD2-CG2 4.23Å; Y135-V147 HydrophobicContact CE2-CB 3.97Å; Y135-V147 HydrophobicContact CE2-CG1 3.78Å; Y135-D148 VanDerWaalsContact CE2-OD1 3.25Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.27Å; Y135-D148 PolarHBondContact OH-OD1 2.73Å; Y135-W165 AromaticContact CD1-CH2 3.74Å; Y135-W165 HydrophobicContact CD1-CH2 3.74Å; Y135-W165 AromaticContact CD1-CZ3 3.51Å; Y135-W165 HydrophobicContact CD1-CZ3 3.51Å; Y135-W165 AromaticContact CD2-CH2 3.8Å; Y135-W165 HydrophobicContact CD2-CH2 3.8Å; Y135-W165 HydrophobicContact CD2-CZ3 4.39Å; Y135-W165 HydrophobicContact CE1-CH2 4.22Å; Y135-W165 HydrophobicContact CE1-CZ3 4.16Å; Y135-W165 HydrophobicContact CE2-CH2 4.25Å; Y135-W165 AromaticContact CG-CH2 3.52Å; Y135-W165 HydrophobicContact CG-CH2 3.52Å; Y135-W165 AromaticContact CG-CZ3 3.66Å; Y135-W165 HydrophobicContact CG-CZ3 3.66Å; Y135-Y170 AromaticContact CD1-CD1 3.92Å; Y135-Y170 HydrophobicContact CD1-CD1 3.92Å; Y135-Y170 HydrophobicContact CD1-CD2 4.04Å; Y135-Y170 AromaticContact CD1-CG 3.64Å; Y135-Y170 HydrophobicContact CD1-CG 3.64Å; Y135-Y170 AromaticContact CE1-CD1 3.96Å; Y135-Y170 HydrophobicContact CE1-CD1 3.96Å; Y135-Y170 HydrophobicContact CE1-CD2 4.03Å; Y135-Y170 HydrophobicContact CE1-CE1 4.12Å; Y135-Y170 HydrophobicContact CE1-CE2 4.18Å; Y135-Y170 AromaticContact CE1-CG 3.91Å; Y135-Y170 HydrophobicContact CE1-CG 3.91Å; Y135-P182 HydrophobicContact CD1-CG 4.22Å; Y135-P182 HydrophobicContact CE1-CB 3.99Å; Y135-P182 HydrophobicContact CE1-CG 3.53Å; Y135-P182 HydrophobicContact CE2-CG 4.48Å; Y135-P182 WeakPolarHBondContact OH-CB 3.17Å |
| 136 | A | 93.8 | Very high | 91.7 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 27.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T144 Y170 R175 | A136-T144 WeakPolarHBondContact CA-OG1 3.47Å; A136-T144 PolarHBondContact N-OG1 3.21Å; A136-Y170 HydrophobicContact CB-CD2 3.56Å; A136-Y170 HydrophobicContact CB-CE2 4.17Å; A136-Y170 HydrophobicContact CB-CG 4.31Å; A136-R175 PolarHBondContact O-NH1 3.49Å |
| 137 | Q | 93.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | trans | -88.2 | 145.2 | 175.5 | -65.8 | -56.3 | -51.9 | 0 | 0 | 111.9 | E133 N134 Y135 G139 K140 | E133-Q137 WeakPolarHBondContact O-CG 3.48Å; N134-Q137 PolarHBondContact O-N 2.92Å; Y135-Q137 PolarHBondContact O-N 2.91Å; Y135-Q137 VanDerWaalsContact O-N 3.14Å; Q137-G139 PolarHBondContact O-N 3.3Å; Q137-K140 HydrophobicContact CB-CB 4.24Å; Q137-K140 HydrophobicContact CB-CD 4.07Å; Q137-K140 HydrophobicContact CB-CG 4.37Å; Q137-K140 PolarHBondContact O-N 2.93Å | ||
| 138 | P | 91.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.8 | 175.2 | -23.3 | 32.8 | 0 | 0 | 0 | 112.1 | K140 | P138-K140 VanDerWaalsContact C-N 3.28Å; P138-K140 PolarHBondContact O-N 3.29Å |
| 139 | G | 89.7 | Confident | 92.5 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 84% | 0.835 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q137 | Q137-G139 PolarHBondContact O-N 3.3Š|
| 140 | K | 91.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | trans | -117.5 | 29 | -179.4 | -63 | -172.8 | -177.7 | 171.3 | 0 | 113.3 | N134 Q137 P138 T142 I143 T144 | N134-K140 HydrophobicContact CB-CD 3.85Å; N134-K140 PolarHBondContact OD1-NZ 2.99Å; Q137-K140 HydrophobicContact CB-CB 4.24Å; Q137-K140 HydrophobicContact CB-CD 4.07Å; Q137-K140 HydrophobicContact CB-CG 4.37Å; Q137-K140 PolarHBondContact O-N 2.93Å; P138-K140 VanDerWaalsContact C-N 3.28Å; P138-K140 PolarHBondContact O-N 3.29Å; K140-T142 PolarHBondContact O-N 3.09Å; K140-I143 HydrophobicContact CB-CB 4.4Å; K140-I143 HydrophobicContact CB-CD1 4.13Å; K140-I143 HydrophobicContact CD-CD1 4.1Å; K140-I143 HydrophobicContact CG-CD1 4.25Å; K140-I143 WeakPolarHBondContact O-CA 3.23Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.93Å; K140-T144 PolarHBondContact O-N 2.96Å; K140-T144 VanDerWaalsContact O-N 3.16Å; K140-T144 PolarHBondContact O-OG1 3.43Å | ||
| 141 | E | 89.9 | Confident | 92.9 | Very high | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.6 | -25.2 | -174.6 | -54 | -55.7 | 170.5 | 0 | 0 | 114.2 | I143 T144 S145 R175 | E141-I143 VanDerWaalsContact C-N 3.32Å; E141-T144 PolarHBondContact O-N 2.81Å; E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 3.06Å; E141-S145 PolarHBondContact O-OG 3.37Å; E141-R175 IonicContact OE1-NH1 3.48Å |
| 142 | T | 88.8 | Confident | 93 | Very high | 115 Ų | 115 | 56 Ų | 56 | 71% | 0.706 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.8 | -37.1 | 171.4 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | K140 A146 | K140-T142 PolarHBondContact O-N 3.09Å; T142-A146 VanDerWaalsContact O-CB 3.32Å; T142-A146 WeakPolarHBondContact O-CB 3.42Å; T142-A146 PolarHBondContact O-N 3.38Å |
| 143 | I | 90.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -46.9 | 175.6 | -64.8 | 174.1 | 0 | 0 | 0 | 109.7 | T130 N134 K140 E141 S145 A146 V147 | T130-I143 HydrophobicContact CG2-CG2 3.39Å; N134-I143 HydrophobicContact CB-CD1 4.1Å; N134-I143 HydrophobicContact CB-CG2 4.11Å; K140-I143 HydrophobicContact CB-CB 4.4Å; K140-I143 HydrophobicContact CB-CD1 4.13Å; K140-I143 HydrophobicContact CD-CD1 4.1Å; K140-I143 HydrophobicContact CG-CD1 4.25Å; K140-I143 WeakPolarHBondContact O-CA 3.23Å; K140-I143 WeakPolarHBondContact O-CB 3.5Å; K140-I143 PolarHBondContact O-N 2.93Å; E141-I143 VanDerWaalsContact C-N 3.32Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 3.42Å; I143-A146 PolarHBondContact O-N 2.95Å; I143-A146 VanDerWaalsContact O-N 3.16Å; I143-V147 HydrophobicContact CG2-CG2 4.35Å; I143-V147 WeakPolarHBondContact O-CG2 3.46Å; I143-V147 PolarHBondContact O-N 2.93Å |
| 144 | T | 93.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.3 | -50.9 | 175 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | Y135 A136 K140 E141 A146 V147 D148 | Y135-T144 HydrophobicContact CD2-CG2 4.11Å; Y135-T144 HydrophobicContact CE1-CG2 4.45Å; Y135-T144 HydrophobicContact CE2-CG2 3.59Å; A136-T144 WeakPolarHBondContact CA-OG1 3.47Å; A136-T144 PolarHBondContact N-OG1 3.21Å; K140-T144 PolarHBondContact O-N 2.96Å; K140-T144 VanDerWaalsContact O-N 3.16Å; K140-T144 PolarHBondContact O-OG1 3.43Å; E141-T144 PolarHBondContact O-N 2.81Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 3.34Å; T144-V147 PolarHBondContact O-N 3.38Å; T144-D148 VanDerWaalsContact O-CG 3.23Å; T144-D148 PolarHBondContact O-N 2.93Å |
| 145 | S | 92.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 179.6 | -58 | 0 | 0 | 0 | 0 | 112.7 | E141 I143 R149 | E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 3.06Å; E141-S145 PolarHBondContact O-OG 3.37Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 3.42Å; S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 VanDerWaalsContact O-CG 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.22Å; S145-R149 PolarHBondContact O-N 3.33Å; S145-R149 VanDerWaalsContact O-N 3.07Å |
| 146 | A | 91.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | T142 I143 T144 R149 L150 | T142-A146 VanDerWaalsContact O-CB 3.32Å; T142-A146 WeakPolarHBondContact O-CB 3.42Å; T142-A146 PolarHBondContact O-N 3.38Å; I143-A146 PolarHBondContact O-N 2.95Å; I143-A146 VanDerWaalsContact O-N 3.16Å; T144-A146 VanDerWaalsContact C-N 3.33Å; T144-A146 PolarHBondContact O-N 3.34Å; A146-R149 PolarHBondContact O-N 3.03Å; A146-L150 VanDerWaalsContact O-CB 3.31Å; A146-L150 WeakPolarHBondContact O-CB 3.26Å; A146-L150 PolarHBondContact O-N 3.47Å |
| 147 | V | 94.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | M131 Y135 I143 T144 R149 L150 Q151 W165 | M131-V147 HydrophobicContact CE-CG1 4.19Å; M131-V147 HydrophobicContact CG-CG1 4.07Å; M131-V147 HydrophobicContact CG-CG2 4.07Å; M131-V147 HydrophobicContact SD-CG1 4.42Å; Y135-V147 HydrophobicContact CD2-CB 3.77Å; Y135-V147 HydrophobicContact CD2-CG1 3.65Å; Y135-V147 HydrophobicContact CD2-CG2 4.23Å; Y135-V147 HydrophobicContact CE2-CB 3.97Å; Y135-V147 HydrophobicContact CE2-CG1 3.78Å; I143-V147 HydrophobicContact CG2-CG2 4.35Å; I143-V147 WeakPolarHBondContact O-CG2 3.46Å; I143-V147 PolarHBondContact O-N 2.93Å; T144-V147 PolarHBondContact O-N 3.38Å; V147-R149 VanDerWaalsContact C-N 3.35Å; V147-R149 PolarHBondContact O-N 3.2Å; V147-L150 WeakPolarHBondContact O-CB 3.4Å; V147-L150 PolarHBondContact O-N 3.46Å; V147-Q151 WeakPolarHBondContact O-CG 3.44Å; V147-Q151 PolarHBondContact O-N 3.46Å; V147-W165 HydrophobicContact CG1-CH2 4.14Å; V147-W165 HydrophobicContact CG1-CZ2 4.13Å |
| 148 | D | 95.6 | Very high | 93.5 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 178.6 | -70.2 | -18.1 | 0 | 0 | 0 | 111.7 | Y135 T144 Q151 Q152 S184 | Y135-D148 VanDerWaalsContact CE2-OD1 3.25Å; Y135-D148 WeakPolarHBondContact CE2-OD1 3.27Å; Y135-D148 PolarHBondContact OH-OD1 2.73Å; T144-D148 VanDerWaalsContact O-CG 3.23Å; T144-D148 PolarHBondContact O-N 2.93Å; D148-Q151 PolarHBondContact O-N 3.48Å; D148-Q152 WeakPolarHBondContact O-CG 3.4Å; D148-Q152 PolarHBondContact O-N 3.05Å; D148-Q152 VanDerWaalsContact O-N 3.15Å; D148-S184 VanDerWaalsContact OD1-CB 3.23Å; D148-S184 WeakPolarHBondContact OD1-CB 3.4Å; D148-S184 PolarHBondContact OD1-OG 2.81Å |
| 149 | R | 94.2 | Very high | 93.6 | Very high | 173 Ų | 173 | 54 Ų | 54 | 65% | 0.653 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.7 | -47.5 | 174.3 | -73.9 | 176.3 | -172.3 | 178.5 | 2.7 | 111.7 | S145 A146 V147 Q151 Q152 D153 | S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 VanDerWaalsContact O-CG 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.22Å; S145-R149 PolarHBondContact O-N 3.33Å; S145-R149 VanDerWaalsContact O-N 3.07Å; A146-R149 PolarHBondContact O-N 3.03Å; V147-R149 VanDerWaalsContact C-N 3.35Å; V147-R149 PolarHBondContact O-N 3.2Å; R149-Q151 VanDerWaalsContact C-N 3.26Å; R149-Q151 PolarHBondContact O-N 3.44Å; R149-Q152 PolarHBondContact O-N 2.87Å; R149-Q152 VanDerWaalsContact O-N 3.15Å; R149-D153 VanDerWaalsContact O-CB 3.27Å; R149-D153 WeakPolarHBondContact O-CB 3.34Å; R149-D153 VanDerWaalsContact O-CG 3.22Å; R149-D153 PolarHBondContact O-N 3.34Å |
| 150 | L | 94 | Very high | 93.8 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.7 | -46.2 | 177.4 | 179.6 | 76.2 | 0 | 0 | 0 | 111 | L127 M131 A146 V147 Q152 F154 C209 L213 | L127-L150 HydrophobicContact CD1-CD2 3.84Å; L127-L150 HydrophobicContact CD2-CD2 4.04Å; M131-L150 HydrophobicContact CE-CD2 3.47Å; M131-L150 VanDerWaalsContact CE-CD2 3.47Å; A146-L150 VanDerWaalsContact O-CB 3.31Å; A146-L150 WeakPolarHBondContact O-CB 3.26Å; A146-L150 PolarHBondContact O-N 3.47Å; V147-L150 WeakPolarHBondContact O-CB 3.4Å; V147-L150 PolarHBondContact O-N 3.46Å; L150-Q152 PolarHBondContact O-N 2.8Å; L150-F154 HydrophobicContact CD1-CD2 3.5Å; L150-F154 VanDerWaalsContact CD1-CD2 3.5Å; L150-F154 HydrophobicContact CD1-CE2 3.75Å; L150-F154 HydrophobicContact CD1-CG 4.45Å; L150-F154 HydrophobicContact CG-CD2 4.29Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.3Å; L150-F154 WeakPolarHBondContact O-CD2 3.42Å; L150-F154 PolarHBondContact O-N 2.82Å; L150-C209 HydrophobicContact CD2-CB 4.02Å; L150-C209 HydrophobicContact CG-CB 4.34Å; L150-L213 HydrophobicContact CD1-CD1 4.16Å; L150-L213 HydrophobicContact CD1-CD2 4.07Å |
| 151 | Q | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 179.8 | -72.5 | -178.8 | -12.4 | 0 | 0 | 113.3 | V147 D148 R149 K155 C156 S184 C185 | V147-Q151 WeakPolarHBondContact O-CG 3.44Å; V147-Q151 PolarHBondContact O-N 3.46Å; D148-Q151 PolarHBondContact O-N 3.48Å; R149-Q151 VanDerWaalsContact C-N 3.26Å; R149-Q151 PolarHBondContact O-N 3.44Å; Q151-K155 CarbonylContact O-C 3.53Å; Q151-K155 WeakPolarHBondContact O-CA 3.06Å; Q151-K155 PolarHBondContact O-N 3.01Å; Q151-C156 WeakPolarHBondContact CA-O 3.3Å; Q151-C156 WeakPolarHBondContact CB-O 3.49Å; Q151-C156 PolarHBondContact O-N 3.39Å; Q151-S184 WeakPolarHBondContact CB-O 2.91Å; Q151-S184 VanDerWaalsContact OE1-C 3.28Å; Q151-S184 PolarHBondContact OE1-OG 3.38Å; Q151-C185 PolarHBondContact NE2-SG 3.33Å; Q151-C185 PolarHBondContact OE1-SG 3.17Å |
| 152 | Q | 96.1 | Very high | 94.1 | Very high | 46 Ų | 46 | 48.4 Ų | 48.4 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.1 | -46.1 | -179.5 | -72.2 | -66.5 | -48.9 | 0 | 0 | 112.7 | D148 R149 L150 F154 K155 S184 C186 I189 | D148-Q152 WeakPolarHBondContact O-CG 3.4Å; D148-Q152 PolarHBondContact O-N 3.05Å; D148-Q152 VanDerWaalsContact O-N 3.15Å; R149-Q152 PolarHBondContact O-N 2.87Å; R149-Q152 VanDerWaalsContact O-N 3.15Å; L150-Q152 PolarHBondContact O-N 2.8Å; Q152-F154 PolarHBondContact O-N 2.82Å; Q152-K155 PolarHBondContact O-N 2.97Å; Q152-S184 PolarHBondContact NE2-O 3.43Å; Q152-C186 PolarHBondContact NE2-O 3.36Å; Q152-I189 HydrophobicContact CG-CD1 3.91Å |
| 153 | D | 94.3 | Very high | 94.3 | Very high | 119 Ų | 119 | 48.9 Ų | 48.9 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.1 | -43.1 | -179 | -67.8 | -16.1 | 0 | 0 | 0 | 110.7 | R149 | R149-D153 VanDerWaalsContact O-CB 3.27Å; R149-D153 WeakPolarHBondContact O-CB 3.34Å; R149-D153 VanDerWaalsContact O-CG 3.22Å; R149-D153 PolarHBondContact O-N 3.34Å |
| 154 | F | 94.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.6 | -179.2 | -66.9 | -78.6 | 0 | 0 | 0 | 114.4 | L150 Q152 C156 K212 L213 F216 | L150-F154 HydrophobicContact CD1-CD2 3.5Å; L150-F154 VanDerWaalsContact CD1-CD2 3.5Å; L150-F154 HydrophobicContact CD1-CE2 3.75Å; L150-F154 HydrophobicContact CD1-CG 4.45Å; L150-F154 HydrophobicContact CG-CD2 4.29Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.3Å; L150-F154 WeakPolarHBondContact O-CD2 3.42Å; L150-F154 PolarHBondContact O-N 2.82Å; Q152-F154 PolarHBondContact O-N 2.82Å; F154-C156 VanDerWaalsContact C-N 3.29Å; F154-C156 PolarHBondContact O-N 3.33Å; F154-K212 HydrophobicContact CB-CB 3.9Å; F154-K212 HydrophobicContact CD1-CB 4.12Å; F154-K212 HydrophobicContact CG-CB 4.31Å; F154-L213 HydrophobicContact CE2-CD1 4.22Å; F154-L213 HydrophobicContact CZ-CD1 4.14Å; F154-F216 HydrophobicContact CD1-CB 4.41Å; F154-F216 HydrophobicContact CE1-CB 3.44Å; F154-F216 VanDerWaalsContact CE1-CB 3.44Å; F154-F216 HydrophobicContact CE1-CD1 4.16Å; F154-F216 AromaticContact CE1-CD2 3.57Å; F154-F216 HydrophobicContact CE1-CD2 3.57Å; F154-F216 HydrophobicContact CE1-CE2 4.31Å; F154-F216 AromaticContact CE1-CG 3.46Å; F154-F216 HydrophobicContact CE1-CG 3.46Å; F154-F216 VanDerWaalsContact CE1-CG 3.46Å; F154-F216 HydrophobicContact CZ-CB 3.99Å; F154-F216 AromaticContact CZ-CD1 3.84Å; F154-F216 HydrophobicContact CZ-CD1 3.84Å; F154-F216 AromaticContact CZ-CD2 3.84Å; F154-F216 HydrophobicContact CZ-CD2 3.84Å; F154-F216 HydrophobicContact CZ-CE1 4.26Å; F154-F216 HydrophobicContact CZ-CE2 4.22Å; F154-F216 AromaticContact CZ-CG 3.62Å; F154-F216 HydrophobicContact CZ-CG 3.62Å; F154-F216 HydrophobicContact CZ-CZ 4.42Å |
| 155 | K | 96.2 | Very high | 94.5 | Very high | 130 Ų | 130 | 47.1 Ų | 47.1 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 50.1 | 178.4 | -60.5 | 179.6 | -175.8 | 175.1 | 0 | 111.7 | Q151 Q152 Y203 V205 | Q151-K155 CarbonylContact O-C 3.53Å; Q151-K155 WeakPolarHBondContact O-CA 3.06Å; Q151-K155 PolarHBondContact O-N 3.01Å; Q152-K155 PolarHBondContact O-N 2.97Å; K155-Y203 HydrophobicContact CB-CD1 3.74Å; K155-Y203 HydrophobicContact CB-CE1 3.52Å; K155-Y203 HydrophobicContact CB-CE2 4.45Å; K155-Y203 HydrophobicContact CB-CG 4.32Å; K155-Y203 HydrophobicContact CD-CE1 4.37Å; K155-Y203 HydrophobicContact CG-CE1 3.88Å; K155-Y203 WeakPolarHBondContact O-CB 3.42Å; K155-Y203 WeakPolarHBondContact O-CD1 3.49Å; K155-V205 VanDerWaalsContact O-CG2 3.29Å; K155-V205 WeakPolarHBondContact O-CG2 3.31Å |
| 156 | C | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -130.2 | 165.7 | -174.4 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | Q151 F154 C209 K212 | Q151-C156 WeakPolarHBondContact CA-O 3.3Å; Q151-C156 WeakPolarHBondContact CB-O 3.49Å; Q151-C156 PolarHBondContact O-N 3.39Å; F154-C156 VanDerWaalsContact C-N 3.29Å; F154-C156 PolarHBondContact O-N 3.33Å; C156-C209 HydrophobicContact CB-CB 3.93Å; C156-C209 WeakPolarHBondContact CB-SG 3.39Å; C156-C209 WeakPolarHBondContact SG-CA 3.45Å; C156-C209 WeakPolarHBondContact SG-CB 3.29Å; C156-C209 CovalentContact SG-SG 2.03Å; C156-C209 PolarHBondContact SG-SG 3.3Å; C156-K212 HydrophobicContact CB-CG 4.38Å | ||
| 157 | C | 96.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | trans | -144.8 | 127.8 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | N161 S162 C185 I202 Y203 | C157-N161 CarbonylContact O-C 3.54Å; C157-S162 WeakPolarHBondContact O-CA 3.37Å; C157-S162 PolarHBondContact O-N 2.87Å; C157-S162 VanDerWaalsContact O-N 3.09Å; C157-C185 VanDerWaalsContact CA-SG 3.52Å; C157-C185 HydrophobicContact CB-CB 3.63Å; C157-C185 WeakPolarHBondContact CB-SG 3.25Å; C157-C185 WeakPolarHBondContact SG-CB 3.05Å; C157-C185 CovalentContact SG-SG 2.03Å; C157-C185 PolarHBondContact SG-SG 3.45Å; C157-I202 HydrophobicContact CB-CG2 4.01Å; C157-Y203 VanDerWaalsContact CB-O 3.26Å; C157-Y203 WeakPolarHBondContact CB-O 2.94Å | ||
| 158 | G | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 71.1 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N161 C209 | G158-N161 WeakPolarHBondContact CA-O 3.27Å; G158-C209 VanDerWaalsContact O-CB 3.28Å; G158-C209 WeakPolarHBondContact O-CB 3.49Å; G158-C209 PolarHBondContact O-N 3.33Å; G158-C209 PolarHBondContact O-SG 3.31Å |
| 159 | S | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -73.9 | -58.2 | -173.2 | -162.9 | 0 | 0 | 0 | 0 | 110.6 | N128 D164 G208 C209 I210 | N128-S159 WeakPolarHBondContact CA-OG 3.22Å; N128-S159 WeakPolarHBondContact CB-OG 3.35Å; N128-S159 PolarHBondContact N-OG 3Å; S159-D164 WeakPolarHBondContact CA-OD2 3.5Å; S159-D164 WeakPolarHBondContact CB-OD2 3.31Å; S159-D164 PolarHBondContact N-OD2 2.96Å; S159-G208 CarbonylContact O-C 3.1Å; S159-C209 PolarHBondContact O-N 3.08Å; S159-I210 WeakPolarHBondContact O-CB 3.48Å; S159-I210 WeakPolarHBondContact O-CG1 3.44Å; S159-I210 PolarHBondContact O-N 3.33Å; S159-I210 WeakPolarHBondContact OG-CD1 3.31Å; S159-I210 WeakPolarHBondContact OG-CG1 3.49Å |
| 160 | N | 92.8 | Very high | 94.4 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -100.1 | -34.8 | 173.9 | -59.8 | -74.9 | 0 | 0 | 0 | 111.6 | D164 G207 G208 | N160-D164 PolarHBondContact N-OD2 3.19Å; N160-G207 CarbonylContact O-C 3.49Å; N160-G208 VanDerWaalsContact O-CA 3.25Å; N160-G208 WeakPolarHBondContact O-CA 3.29Å; N160-G208 PolarHBondContact O-N 3.44Å |
| 161 | N | 93.4 | Very high | 94.4 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -165.3 | 171.7 | 174 | 66.7 | 77.4 | 0 | 0 | 0 | 111.1 | C157 G158 Q163 D164 | C157-N161 CarbonylContact O-C 3.54Å; G158-N161 WeakPolarHBondContact CA-O 3.27Å; N161-Q163 PolarHBondContact O-N 3.38Å; N161-Q163 VanDerWaalsContact O-N 3.09Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.46Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N161-Q163 WeakPolarHBondContact OD1-CG 3.26Å; N161-Q163 PolarHBondContact OD1-N 2.9Å; N161-D164 PolarHBondContact N-OD2 2.75Å; N161-D164 VanDerWaalsContact N-OD2 3.14Å; N161-D164 WeakPolarHBondContact O-CB 3.37Å; N161-D164 PolarHBondContact O-N 2.64Å; N161-D164 VanDerWaalsContact O-N 3.11Å; N161-D164 VanDerWaalsContact O-OD2 3.13Å |
| 162 | S | 94.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.7 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | C157 D164 W165 K204 | C157-S162 WeakPolarHBondContact O-CA 3.37Å; C157-S162 PolarHBondContact O-N 2.87Å; C157-S162 VanDerWaalsContact O-N 3.09Å; S162-D164 PolarHBondContact O-N 3.01Å; S162-W165 PolarHBondContact O-N 3.31Å; S162-K204 WeakPolarHBondContact OG-CE 3.19Å; S162-K204 PolarHBondContact OG-NZ 2.89Å |
| 163 | Q | 93.4 | Very high | 94.1 | Very high | 126 Ų | 126 | 52.6 Ų | 52.6 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -72.1 | -17.1 | 179.8 | -55 | -179.8 | -13.5 | 0 | 0 | 112.2 | N161 W165 T166 | N161-Q163 PolarHBondContact O-N 3.38Å; N161-Q163 VanDerWaalsContact O-N 3.09Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.46Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N161-Q163 WeakPolarHBondContact OD1-CG 3.26Å; N161-Q163 PolarHBondContact OD1-N 2.9Å; Q163-W165 PolarHBondContact O-N 3.07Å; Q163-T166 VanDerWaalsContact O-CB 3.29Å; Q163-T166 WeakPolarHBondContact O-CB 3.01Å; Q163-T166 WeakPolarHBondContact O-CG2 3.32Å; Q163-T166 PolarHBondContact O-N 2.89Å; Q163-T166 PolarHBondContact O-OG1 3.02Å |
| 164 | D | 93.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -54.9 | -30.6 | 175.3 | -62.5 | -20.8 | 0 | 0 | 0 | 111.6 | S159 N160 N161 S162 T166 L167 | S159-D164 WeakPolarHBondContact CA-OD2 3.5Å; S159-D164 WeakPolarHBondContact CB-OD2 3.31Å; S159-D164 PolarHBondContact N-OD2 2.96Å; N160-D164 PolarHBondContact N-OD2 3.19Å; N161-D164 PolarHBondContact N-OD2 2.75Å; N161-D164 VanDerWaalsContact N-OD2 3.14Å; N161-D164 WeakPolarHBondContact O-CB 3.37Å; N161-D164 PolarHBondContact O-N 2.64Å; N161-D164 VanDerWaalsContact O-N 3.11Å; N161-D164 VanDerWaalsContact O-OD2 3.13Å; S162-D164 PolarHBondContact O-N 3.01Å; D164-T166 PolarHBondContact O-N 3.39Å; D164-L167 PolarHBondContact O-N 3.08Å |
| 165 | W | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -60.6 | -28.8 | 175.6 | -71.4 | 109.8 | 0 | 0 | 0 | 113.7 | M131 Y135 V147 S162 Q163 L167 S168 Y170 I171 V181 P182 | M131-W165 HydrophobicContact CB-CH2 4.14Å; M131-W165 HydrophobicContact CB-CZ2 4.3Å; M131-W165 HydrophobicContact CG-CZ2 4.49Å; M131-W165 WeakPolarHBondContact O-CZ3 3.29Å; M131-W165 HydrophobicContact SD-CZ2 4.26Å; Y135-W165 AromaticContact CD1-CH2 3.74Å; Y135-W165 HydrophobicContact CD1-CH2 3.74Å; Y135-W165 AromaticContact CD1-CZ3 3.51Å; Y135-W165 HydrophobicContact CD1-CZ3 3.51Å; Y135-W165 AromaticContact CD2-CH2 3.8Å; Y135-W165 HydrophobicContact CD2-CH2 3.8Å; Y135-W165 HydrophobicContact CD2-CZ3 4.39Å; Y135-W165 HydrophobicContact CE1-CH2 4.22Å; Y135-W165 HydrophobicContact CE1-CZ3 4.16Å; Y135-W165 HydrophobicContact CE2-CH2 4.25Å; Y135-W165 AromaticContact CG-CH2 3.52Å; Y135-W165 HydrophobicContact CG-CH2 3.52Å; Y135-W165 AromaticContact CG-CZ3 3.66Å; Y135-W165 HydrophobicContact CG-CZ3 3.66Å; V147-W165 HydrophobicContact CG1-CH2 4.14Å; V147-W165 HydrophobicContact CG1-CZ2 4.13Å; S162-W165 PolarHBondContact O-N 3.31Å; Q163-W165 PolarHBondContact O-N 3.07Å; W165-L167 PolarHBondContact O-N 2.71Å; W165-L167 VanDerWaalsContact O-N 3.17Å; W165-S168 VanDerWaalsContact O-CB 3.29Å; W165-S168 WeakPolarHBondContact O-CB 3.26Å; W165-S168 PolarHBondContact O-N 2.92Å; W165-S168 PolarHBondContact O-OG 2.9Å; W165-Y170 HydrophobicContact CE3-CD1 4.1Å; W165-Y170 HydrophobicContact CZ3-CD1 4.18Å; W165-I171 HydrophobicContact CB-CG1 4.06Å; W165-I171 WeakPolarHBondContact O-CB 3.41Å; W165-I171 WeakPolarHBondContact O-CG1 3.32Å; W165-V181 HydrophobicContact CB-CG1 4.17Å; W165-V181 HydrophobicContact CG-CB 4.31Å; W165-V181 HydrophobicContact CG-CG1 4.13Å; W165-P182 HydrophobicContact CD2-CG 3.81Å; W165-P182 HydrophobicContact CE3-CG 3.8Å; W165-P182 HydrophobicContact CH2-CG 3.59Å; W165-P182 HydrophobicContact CZ2-CG 3.6Å; W165-P182 HydrophobicContact CZ3-CG 3.68Å |
| 166 | T | 92.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -60.6 | -27.4 | 178.6 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | Q163 D164 | Q163-T166 VanDerWaalsContact O-CB 3.29Å; Q163-T166 WeakPolarHBondContact O-CB 3.01Å; Q163-T166 WeakPolarHBondContact O-CG2 3.32Å; Q163-T166 PolarHBondContact O-N 2.89Å; Q163-T166 PolarHBondContact O-OG1 3.02Å; D164-T166 PolarHBondContact O-N 3.39Å |
| 167 | L | 89.3 | Confident | 93.2 | Very high | 125 Ų | 125 | 56 Ų | 56 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -89.9 | -11.6 | 178 | -58.7 | 177.1 | 0 | 0 | 0 | 112.7 | D164 W165 R172 | D164-L167 PolarHBondContact O-N 3.08Å; W165-L167 PolarHBondContact O-N 2.71Å; W165-L167 VanDerWaalsContact O-N 3.17Å; L167-R172 PolarHBondContact O-NH2 3.46Å |
| 168 | S | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -67.8 | 151 | -174.2 | 74 | 0 | 0 | 0 | 0 | 113.1 | T132 W165 Y170 I171 R172 | T132-S168 CarbonylContact O-C 3.48Å; T132-S168 WeakPolarHBondContact O-CA 3.39Å; T132-S168 WeakPolarHBondContact O-CB 3.05Å; W165-S168 VanDerWaalsContact O-CB 3.29Å; W165-S168 WeakPolarHBondContact O-CB 3.26Å; W165-S168 PolarHBondContact O-N 2.92Å; W165-S168 PolarHBondContact O-OG 2.9Å; S168-Y170 PolarHBondContact O-N 3.28Å; S168-I171 WeakPolarHBondContact OG-CG1 3.14Å; S168-I171 PolarHBondContact OG-N 3.46Å; S168-I171 VanDerWaalsContact OG-N 3.14Å; S168-R172 PolarHBondContact O-NE 3.3Å |
| 169 | V | 95.3 | Very high | 93 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 170.5 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | T132 R172 S173 | T132-V169 PolarHBondContact O-N 3.5Å; V169-R172 PolarHBondContact O-N 3.48Å; V169-S173 PolarHBondContact O-N 3.15Å; V169-S173 VanDerWaalsContact O-N 3.14Å |
| 170 | Y | 94.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -51.9 | 178.1 | 164 | -109.2 | 0 | 0 | 0 | 112.7 | Y135 A136 W165 S168 R172 S173 R175 R179 P182 | Y135-Y170 AromaticContact CD1-CD1 3.92Å; Y135-Y170 HydrophobicContact CD1-CD1 3.92Å; Y135-Y170 HydrophobicContact CD1-CD2 4.04Å; Y135-Y170 AromaticContact CD1-CG 3.64Å; Y135-Y170 HydrophobicContact CD1-CG 3.64Å; Y135-Y170 AromaticContact CE1-CD1 3.96Å; Y135-Y170 HydrophobicContact CE1-CD1 3.96Å; Y135-Y170 HydrophobicContact CE1-CD2 4.03Å; Y135-Y170 HydrophobicContact CE1-CE1 4.12Å; Y135-Y170 HydrophobicContact CE1-CE2 4.18Å; Y135-Y170 AromaticContact CE1-CG 3.91Å; Y135-Y170 HydrophobicContact CE1-CG 3.91Å; A136-Y170 HydrophobicContact CB-CD2 3.56Å; A136-Y170 HydrophobicContact CB-CE2 4.17Å; A136-Y170 HydrophobicContact CB-CG 4.31Å; W165-Y170 HydrophobicContact CE3-CD1 4.1Å; W165-Y170 HydrophobicContact CZ3-CD1 4.18Å; S168-Y170 PolarHBondContact O-N 3.28Å; Y170-R172 PolarHBondContact O-N 2.78Å; Y170-S173 WeakPolarHBondContact O-CB 2.98Å; Y170-S173 PolarHBondContact O-N 3.15Å; Y170-S173 PolarHBondContact O-OG 3.07Å; Y170-R175 HydrophobicContact CE2-CB 4.37Å; Y170-R179 PolarHBondContact OH-NH1 2.83Å; Y170-P182 HydrophobicContact CD1-CG 4.18Å; Y170-P182 HydrophobicContact CE1-CB 4.43Å; Y170-P182 HydrophobicContact CE1-CG 3.84Å |
| 171 | I | 94.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -34.9 | -178.4 | -67.4 | -61.9 | 0 | 0 | 0 | 111.6 | W165 S168 S173 S176 R179 V180 | W165-I171 HydrophobicContact CB-CG1 4.06Å; W165-I171 WeakPolarHBondContact O-CB 3.41Å; W165-I171 WeakPolarHBondContact O-CG1 3.32Å; S168-I171 WeakPolarHBondContact OG-CG1 3.14Å; S168-I171 PolarHBondContact OG-N 3.46Å; S168-I171 VanDerWaalsContact OG-N 3.14Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 2.81Å; I171-S176 PolarHBondContact O-OG 3.46Å; I171-S176 VanDerWaalsContact O-OG 3.07Å; I171-R179 VanDerWaalsContact CD1-O 3.23Å; I171-R179 WeakPolarHBondContact CD1-O 3.44Å; I171-V180 WeakPolarHBondContact CD1-O 3.41Å |
| 172 | R | 91.9 | Very high | 93.4 | Very high | 184 Ų | 184 | 57.7 Ų | 57.7 | 69% | 0.694 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -74 | -13 | 176.2 | -68.6 | -177.8 | -79.5 | -179.6 | -4.9 | 114.1 | L167 S168 V169 Y170 | L167-R172 PolarHBondContact O-NH2 3.46Å; S168-R172 PolarHBondContact O-NE 3.3Å; V169-R172 PolarHBondContact O-N 3.48Å; Y170-R172 PolarHBondContact O-N 2.78Å |
| 173 | S | 92.8 | Very high | 93.5 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -89.5 | 157.3 | 179.7 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | V169 Y170 I171 R175 S176 | V169-S173 PolarHBondContact O-N 3.15Å; V169-S173 VanDerWaalsContact O-N 3.14Å; Y170-S173 WeakPolarHBondContact O-CB 2.98Å; Y170-S173 PolarHBondContact O-N 3.15Å; Y170-S173 PolarHBondContact O-OG 3.07Å; I171-S173 VanDerWaalsContact C-N 3.27Å; I171-S173 PolarHBondContact O-N 2.81Å; S173-R175 PolarHBondContact O-N 3.41Å; S173-R175 VanDerWaalsContact O-N 3.13Å; S173-R175 WeakPolarHBondContact OG-CB 3.3Å; S173-R175 PolarHBondContact OG-N 3.01Å; S173-S176 PolarHBondContact O-N 2.98Å; S173-S176 VanDerWaalsContact O-N 3.15Å; S173-S176 PolarHBondContact O-OG 3.23Å |
| 174 | E | 90.9 | Very high | 93.6 | Very high | 195 Ų | 195 | 53 Ų | 53 | 91% | 0.911 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59.8 | -23.6 | 174.2 | -64.6 | -176 | 169.3 | 0 | 0 | 113 | S176 G177 | E174-S176 PolarHBondContact O-N 2.97Å; E174-G177 PolarHBondContact O-N 2.95Å; E174-G177 VanDerWaalsContact O-N 3.08Å |
| 175 | R | 88.2 | Confident | 93.8 | Very high | 125 Ų | 125 | 52 Ų | 52 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -63.5 | -21.5 | 178.4 | -63.4 | -178.4 | 175.4 | -159.9 | -9.3 | 113.2 | A136 E141 Y170 S173 G177 R179 | A136-R175 PolarHBondContact O-NH1 3.49Å; E141-R175 IonicContact OE1-NH1 3.48Å; Y170-R175 HydrophobicContact CE2-CB 4.37Å; S173-R175 PolarHBondContact O-N 3.41Å; S173-R175 VanDerWaalsContact O-N 3.13Å; S173-R175 WeakPolarHBondContact OG-CB 3.3Å; S173-R175 PolarHBondContact OG-N 3.01Å; R175-G177 PolarHBondContact O-N 2.89Å; R175-R179 PolarHBondContact O-NH2 2.91Å |
| 176 | S | 92.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -66.1 | -27.3 | 175.5 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | I171 S173 E174 G178 R179 | I171-S176 PolarHBondContact O-OG 3.46Å; I171-S176 VanDerWaalsContact O-OG 3.07Å; S173-S176 PolarHBondContact O-N 2.98Å; S173-S176 VanDerWaalsContact O-N 3.15Å; S173-S176 PolarHBondContact O-OG 3.23Å; E174-S176 PolarHBondContact O-N 2.97Å; S176-G178 PolarHBondContact O-N 3.18Å; S176-G178 VanDerWaalsContact O-N 3.13Å; S176-R179 WeakPolarHBondContact O-CB 3.36Å; S176-R179 VanDerWaalsContact O-CG 3.26Å; S176-R179 WeakPolarHBondContact O-CG 2.85Å; S176-R179 PolarHBondContact O-N 2.78Å; S176-R179 PolarHBondContact O-NE 2.03Å; S176-R179 VanDerWaalsContact O-NE 3.13Å |
| 177 | G | 91.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 32.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E174 R175 R179 R195 | E174-G177 PolarHBondContact O-N 2.95Å; E174-G177 VanDerWaalsContact O-N 3.08Å; R175-G177 PolarHBondContact O-N 2.89Å; G177-R179 VanDerWaalsContact C-N 3.32Å; G177-R179 PolarHBondContact O-N 3.1Å; G177-R195 VanDerWaalsContact O-CZ 3.25Å; G177-R195 PolarHBondContact O-NE 3.16Å; G177-R195 PolarHBondContact O-NH2 3.21Å |
| 178 | G | 91.8 | Very high | 94.4 | Very high | 55 Ų | 55 | 51 Ų | 51 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S176 | S176-G178 PolarHBondContact O-N 3.18Å; S176-G178 VanDerWaalsContact O-N 3.13Å |
| 179 | R | 95.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 55.9 Ų | 55.9 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | trans | -69.4 | 147.9 | 170.5 | -67.7 | 172 | -111.8 | 138.1 | 17.9 | 110.3 | Y170 I171 R175 S176 G177 V181 D183 D192 R195 | Y170-R179 PolarHBondContact OH-NH1 2.83Å; I171-R179 VanDerWaalsContact CD1-O 3.23Å; I171-R179 WeakPolarHBondContact CD1-O 3.44Å; R175-R179 PolarHBondContact O-NH2 2.91Å; S176-R179 WeakPolarHBondContact O-CB 3.36Å; S176-R179 VanDerWaalsContact O-CG 3.26Å; S176-R179 WeakPolarHBondContact O-CG 2.85Å; S176-R179 PolarHBondContact O-N 2.78Å; S176-R179 PolarHBondContact O-NE 2.03Å; S176-R179 VanDerWaalsContact O-NE 3.13Å; G177-R179 VanDerWaalsContact C-N 3.32Å; G177-R179 PolarHBondContact O-N 3.1Å; R179-V181 WeakPolarHBondContact CB-O 3.3Å; R179-D183 VanDerWaalsContact CD-OD1 3.31Å; R179-D183 WeakPolarHBondContact CD-OD1 3.34Å; R179-D183 IonicContact CZ-OD2 2.7Å; R179-D183 IonicContact NE-OD2 2.82Å; R179-D183 IonicContact NH1-OD2 3.12Å; R179-D192 IonicContact CZ-OD1 3.92Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.29Å; R179-D192 IonicContact NH2-OD1 3.99Å; R179-R195 HydrophobicContact CB-CG 4.42Å; R179-R195 HydrophobicContact CG-CG 3.76Å | ||
| 180 | V | 95.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -98.5 | -16.6 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | I171 G194 D197 | I171-V180 WeakPolarHBondContact CD1-O 3.41Å; V180-G194 WeakPolarHBondContact CG2-O 3.36Å; V180-G194 PolarHBondContact N-O 3.17Å; V180-D197 HydrophobicContact CG2-CB 4.12Å |
| 181 | V | 96.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -143.8 | 160.9 | 169.8 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | W165 R179 C185 G194 I202 | W165-V181 HydrophobicContact CB-CG1 4.17Å; W165-V181 HydrophobicContact CG-CB 4.31Å; W165-V181 HydrophobicContact CG-CG1 4.13Å; R179-V181 WeakPolarHBondContact CB-O 3.3Å; V181-C185 HydrophobicContact CB-CB 4.04Å; V181-C185 HydrophobicContact CG2-CB 3.71Å; V181-G194 PolarHBondContact N-O 3.05Å; V181-G194 WeakPolarHBondContact O-CA 3.49Å; V181-I202 HydrophobicContact CG2-CD1 3.54Å; V181-I202 HydrophobicContact CG2-CG1 4.04Å |
| 182 | P | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -57.4 | 153.9 | 168.3 | -27.1 | 36.7 | 0 | 0 | 0 | 113.7 | Y135 W165 Y170 S184 C185 | Y135-P182 HydrophobicContact CD1-CG 4.22Å; Y135-P182 HydrophobicContact CE1-CB 3.99Å; Y135-P182 HydrophobicContact CE1-CG 3.53Å; Y135-P182 HydrophobicContact CE2-CG 4.48Å; Y135-P182 WeakPolarHBondContact OH-CB 3.17Å; W165-P182 HydrophobicContact CD2-CG 3.81Å; W165-P182 HydrophobicContact CE3-CG 3.8Å; W165-P182 HydrophobicContact CH2-CG 3.59Å; W165-P182 HydrophobicContact CZ2-CG 3.6Å; W165-P182 HydrophobicContact CZ3-CG 3.68Å; Y170-P182 HydrophobicContact CD1-CG 4.18Å; Y170-P182 HydrophobicContact CE1-CB 4.43Å; Y170-P182 HydrophobicContact CE1-CG 3.84Å; P182-S184 WeakPolarHBondContact CB-OG 3.34Å; P182-S184 PolarHBondContact O-N 3.23Å; P182-C185 VanDerWaalsContact O-CB 3.27Å; P182-C185 WeakPolarHBondContact O-CB 3.46Å; P182-C185 PolarHBondContact O-N 3.14Å | ||
| 183 | D | 96.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.4 | -21.6 | 178 | -69.5 | -30.5 | 0 | 0 | 0 | 112.6 | R179 C185 C186 D192 C193 G194 | R179-D183 VanDerWaalsContact CD-OD1 3.31Å; R179-D183 WeakPolarHBondContact CD-OD1 3.34Å; R179-D183 IonicContact CZ-OD2 2.7Å; R179-D183 IonicContact NE-OD2 2.82Å; R179-D183 IonicContact NH1-OD2 3.12Å; D183-C185 PolarHBondContact O-N 3.4Å; D183-C186 VanDerWaalsContact O-CB 3.25Å; D183-C186 WeakPolarHBondContact O-CB 3.39Å; D183-C186 PolarHBondContact O-N 3.43Å; D183-C186 PolarHBondContact O-SG 2.9Å; D183-C186 VanDerWaalsContact O-SG 3.39Å; D183-D192 PolarHBondContact OD2-N 3.17Å; D183-D192 VanDerWaalsContact OD2-N 3.16Å; D183-C193 PolarHBondContact OD1-N 3.38Å; D183-C193 PolarHBondContact OD1-SG 3.25Å; D183-G194 PolarHBondContact OD1-N 3.42Å |
| 184 | S | 96.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -66.9 | -10.9 | 170.2 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | D148 Q151 Q152 P182 C186 | D148-S184 VanDerWaalsContact OD1-CB 3.23Å; D148-S184 WeakPolarHBondContact OD1-CB 3.4Å; D148-S184 PolarHBondContact OD1-OG 2.81Å; Q151-S184 WeakPolarHBondContact CB-O 2.91Å; Q151-S184 VanDerWaalsContact OE1-C 3.28Å; Q151-S184 PolarHBondContact OE1-OG 3.38Å; Q152-S184 PolarHBondContact NE2-O 3.43Å; P182-S184 WeakPolarHBondContact CB-OG 3.34Å; P182-S184 PolarHBondContact O-N 3.23Å; S184-C186 VanDerWaalsContact C-N 3.32Å |
| 185 | C | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -81.2 | -11.5 | 168.2 | -80.7 | 0 | 0 | 0 | 0 | 113.6 | Q151 C157 V181 P182 D183 I202 Y203 | Q151-C185 PolarHBondContact NE2-SG 3.33Å; Q151-C185 PolarHBondContact OE1-SG 3.17Å; C157-C185 VanDerWaalsContact CA-SG 3.52Å; C157-C185 HydrophobicContact CB-CB 3.63Å; C157-C185 WeakPolarHBondContact CB-SG 3.25Å; C157-C185 WeakPolarHBondContact SG-CB 3.05Å; C157-C185 CovalentContact SG-SG 2.03Å; C157-C185 PolarHBondContact SG-SG 3.45Å; V181-C185 HydrophobicContact CB-CB 4.04Å; V181-C185 HydrophobicContact CG2-CB 3.71Å; P182-C185 VanDerWaalsContact O-CB 3.27Å; P182-C185 WeakPolarHBondContact O-CB 3.46Å; P182-C185 PolarHBondContact O-N 3.14Å; D183-C185 PolarHBondContact O-N 3.4Å; C185-I202 HydrophobicContact CB-CG2 4.11Å; C185-I202 WeakPolarHBondContact O-CA 3.46Å; C185-Y203 VanDerWaalsContact O-CD2 3.22Å; C185-Y203 WeakPolarHBondContact O-CD2 3.31Å; C185-Y203 PolarHBondContact O-N 2.87Å |
| 186 | C | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 144.5 | -176.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | Q152 D183 S184 T188 C193 G194 N201 Y203 | Q152-C186 PolarHBondContact NE2-O 3.36Å; D183-C186 VanDerWaalsContact O-CB 3.25Å; D183-C186 WeakPolarHBondContact O-CB 3.39Å; D183-C186 PolarHBondContact O-N 3.43Å; D183-C186 PolarHBondContact O-SG 2.9Å; D183-C186 VanDerWaalsContact O-SG 3.39Å; S184-C186 VanDerWaalsContact C-N 3.32Å; C186-T188 PolarHBondContact O-N 3.48Å; C186-C193 HydrophobicContact CB-CB 3.93Å; C186-C193 WeakPolarHBondContact CB-SG 3.35Å; C186-C193 WeakPolarHBondContact SG-CB 3.02Å; C186-C193 CovalentContact SG-SG 2.02Å; C186-C193 PolarHBondContact SG-SG 2.02Å; C186-G194 PolarHBondContact SG-N 3.25Å; C186-G194 VanDerWaalsContact SG-N 3.44Å; C186-N201 CarbonylContact C-O 3.57Å; C186-N201 VanDerWaalsContact CA-O 3.31Å; C186-N201 WeakPolarHBondContact CA-O 3.46Å; C186-Y203 WeakPolarHBondContact O-CE2 3.37Å |
| 187 | K | 96.3 | Very high | 95.1 | Very high | 96 Ų | 96 | 55 Ų | 55 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -66.7 | -28.6 | 172.7 | -58.9 | -171 | -170.6 | 175.5 | 0 | 112.7 | P199 S200 N201 I202 Y203 | K187-P199 VanDerWaalsContact CE-O 3.23Å; K187-P199 WeakPolarHBondContact CE-O 3.25Å; K187-P199 PolarHBondContact NZ-O 3.34Å; K187-S200 WeakPolarHBondContact CD-O 3.23Å; K187-N201 PolarHBondContact N-O 2.57Å; K187-I202 WeakPolarHBondContact CE-O 3.31Å; K187-Y203 HydrophobicContact CB-CE1 4.29Å; K187-Y203 HydrophobicContact CD-CE1 4.44Å; K187-Y203 HydrophobicContact CG-CD1 3.89Å; K187-Y203 HydrophobicContact CG-CE1 3.66Å; K187-Y203 HydrophobicContact CG-CG 4.48Å |
| 188 | T | 95.2 | Very high | 95.2 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -128.6 | 106.2 | 173.8 | -54.4 | 0 | 0 | 0 | 0 | 107.2 | C186 T190 | C186-T188 PolarHBondContact O-N 3.48Å; T188-T190 HydrophobicContact CG2-CG2 4.37Å; T188-T190 PolarHBondContact O-N 3.3Å; T188-T190 VanDerWaalsContact O-N 3.08Å |
| 189 | I | 94.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | trans | -67.8 | 110.5 | -178.2 | -52.4 | 174.8 | 0 | 0 | 0 | 108.1 | Q152 | Q152-I189 HydrophobicContact CG-CD1 3.91Š| ||
| 190 | T | 94.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | trans | -136.5 | 153.8 | 171.5 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | T188 D192 C193 | T188-T190 HydrophobicContact CG2-CG2 4.37Å; T188-T190 PolarHBondContact O-N 3.3Å; T188-T190 VanDerWaalsContact O-N 3.08Å; T190-D192 PolarHBondContact O-N 3.24Å; T190-C193 WeakPolarHBondContact O-CB 3.36Å; T190-C193 PolarHBondContact O-N 3.37Å; T190-C193 VanDerWaalsContact O-N 3.17Å; T190-C193 PolarHBondContact O-SG 3.3Å; T190-C193 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 191 | A | 93.8 | Very high | 95 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 78% | 0.777 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 130.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | C193 | A191-C193 PolarHBondContact O-N 3.33Š|
| 192 | D | 94.8 | Very high | 95 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 17.8 | 179.6 | -65.9 | -38.6 | 0 | 0 | 0 | 115.5 | R179 D183 T190 G194 R195 | R179-D192 IonicContact CZ-OD1 3.92Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.29Å; R179-D192 IonicContact NH2-OD1 3.99Å; D183-D192 PolarHBondContact OD2-N 3.17Å; D183-D192 VanDerWaalsContact OD2-N 3.16Å; T190-D192 PolarHBondContact O-N 3.24Å; D192-G194 PolarHBondContact O-N 2.74Å; D192-R195 HydrophobicContact CB-CG 4.28Å; D192-R195 VanDerWaalsContact CG-CZ 3.44Å; D192-R195 WeakPolarHBondContact O-CB 3.27Å; D192-R195 WeakPolarHBondContact O-CG 2.95Å; D192-R195 PolarHBondContact O-N 3.07Å; D192-R195 VanDerWaalsContact O-N 3.16Å; D192-R195 IonicContact OD1-CZ 2.79Å; D192-R195 IonicContact OD1-NH2 3.81Å; D192-R195 PolarHBondContact OD1-NH2 3.34Å; D192-R195 IonicContact OD2-CZ 3.84Å; D192-R195 VanDerWaalsContact OD2-CZ 3.22Å; D192-R195 IonicContact OD2-NH1 3Å; D192-R195 PolarHBondContact OD2-NH1 3.16Å; D192-R195 IonicContact OD2-NH2 3.3Å; D192-R195 PolarHBondContact OD2-NH2 3.4Å |
| 193 | C | 95.6 | Very high | 95 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.5 | 175.2 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | D183 C186 T190 A191 R195 R196 N201 | D183-C193 PolarHBondContact OD1-N 3.38Å; D183-C193 PolarHBondContact OD1-SG 3.25Å; C186-C193 HydrophobicContact CB-CB 3.93Å; C186-C193 WeakPolarHBondContact CB-SG 3.35Å; C186-C193 WeakPolarHBondContact SG-CB 3.02Å; C186-C193 CovalentContact SG-SG 2.02Å; C186-C193 PolarHBondContact SG-SG 2.02Å; T190-C193 WeakPolarHBondContact O-CB 3.36Å; T190-C193 PolarHBondContact O-N 3.37Å; T190-C193 VanDerWaalsContact O-N 3.17Å; T190-C193 PolarHBondContact O-SG 3.3Å; T190-C193 WeakPolarHBondContact OG1-CB 3.44Å; A191-C193 PolarHBondContact O-N 3.33Å; C193-R195 PolarHBondContact O-N 2.96Å; C193-R195 VanDerWaalsContact O-N 3.08Å; C193-R196 PolarHBondContact O-N 2.85Å; C193-N201 PolarHBondContact O-ND2 2.89Å |
| 194 | G | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -67.5 | -1.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V180 V181 D183 C186 D192 | V180-G194 WeakPolarHBondContact CG2-O 3.36Å; V180-G194 PolarHBondContact N-O 3.17Å; V181-G194 PolarHBondContact N-O 3.05Å; V181-G194 WeakPolarHBondContact O-CA 3.49Å; D183-G194 PolarHBondContact OD1-N 3.42Å; C186-G194 PolarHBondContact SG-N 3.25Å; C186-G194 VanDerWaalsContact SG-N 3.44Å; D192-G194 PolarHBondContact O-N 2.74Å |
| 195 | R | 95.5 | Very high | 94.6 | Very high | 128 Ų | 128 | 64.2 Ų | 64.2 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -73.8 | -30.2 | 172.3 | -69.3 | -168.2 | 178.7 | 136.7 | 12.7 | 113.3 | G177 R179 D192 C193 | G177-R195 VanDerWaalsContact O-CZ 3.25Å; G177-R195 PolarHBondContact O-NE 3.16Å; G177-R195 PolarHBondContact O-NH2 3.21Å; R179-R195 HydrophobicContact CB-CG 4.42Å; R179-R195 HydrophobicContact CG-CG 3.76Å; D192-R195 HydrophobicContact CB-CG 4.28Å; D192-R195 VanDerWaalsContact CG-CZ 3.44Å; D192-R195 WeakPolarHBondContact O-CB 3.27Å; D192-R195 WeakPolarHBondContact O-CG 2.95Å; D192-R195 PolarHBondContact O-N 3.07Å; D192-R195 VanDerWaalsContact O-N 3.16Å; D192-R195 IonicContact OD1-CZ 2.79Å; D192-R195 IonicContact OD1-NH2 3.81Å; D192-R195 PolarHBondContact OD1-NH2 3.34Å; D192-R195 IonicContact OD2-CZ 3.84Å; D192-R195 VanDerWaalsContact OD2-CZ 3.22Å; D192-R195 IonicContact OD2-NH1 3Å; D192-R195 PolarHBondContact OD2-NH1 3.16Å; D192-R195 IonicContact OD2-NH2 3.3Å; D192-R195 PolarHBondContact OD2-NH2 3.4Å; C193-R195 PolarHBondContact O-N 2.96Å; C193-R195 VanDerWaalsContact O-N 3.08Å |
| 196 | R | 93.2 | Very high | 94.2 | Very high | 165 Ų | 165 | 73.1 Ų | 73.1 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -98.7 | 103.3 | -174.9 | -175.3 | 178.8 | 178.7 | 172.1 | 0.2 | 110.8 | C193 H198 N201 I202 | C193-R196 PolarHBondContact O-N 2.85Å; R196-H198 HydrophobicContact CG-CB 4.27Å; R196-H198 PolarHBondContact O-N 3.16Å; R196-H198 VanDerWaalsContact O-N 3.08Å; R196-N201 PolarHBondContact O-ND2 2.66Å; R196-I202 WeakPolarHBondContact O-CD1 3.28Å |
| 197 | D | 92.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | trans | -73.6 | 97.7 | 170.8 | -166.4 | 6.3 | 0 | 0 | 0 | 111.3 | V180 I202 K204 | V180-D197 HydrophobicContact CG2-CB 4.12Å; D197-I202 HydrophobicContact CB-CD1 4.49Å; D197-K204 VanDerWaalsContact CG-NZ 3.33Å; D197-K204 WeakPolarHBondContact OD1-CE 2.99Å; D197-K204 IonicContact OD1-NZ 3.22Å; D197-K204 PolarHBondContact OD1-NZ 3.28Å; D197-K204 IonicContact OD2-NZ 2.78Å; D197-K204 PolarHBondContact OD2-NZ 3.38Å; D197-K204 VanDerWaalsContact OD2-NZ 3.12Å | ||
| 198 | H | 94.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 69.8 Ų | 69.8 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | trans | -149.4 | 139.1 | 175.4 | -165.6 | -96.6 | 0 | 0 | 0 | 111.3 | R196 S200 N201 I202 | R196-H198 HydrophobicContact CG-CB 4.27Å; R196-H198 PolarHBondContact O-N 3.16Å; R196-H198 VanDerWaalsContact O-N 3.08Å; H198-S200 PolarHBondContact CE1-OG 3.02Å; H198-S200 WeakPolarHBondContact ND1-CB 3.5Å; H198-S200 PolarHBondContact ND1-N 3.26Å; H198-S200 PolarHBondContact ND1-OG 3.39Å; H198-S200 PolarHBondContact O-N 2.83Å; H198-S200 VanDerWaalsContact O-N 3.1Å; H198-N201 HydrophobicContact CB-CB 4.36Å; H198-N201 PolarHBondContact O-N 3.26Å; H198-I202 PolarHBondContact O-N 2.91Å | ||
| 199 | P | 92.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 51% | 0.506 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.8 | -179 | -24.5 | 33.8 | 0 | 0 | 0 | 115.4 | K187 K204 | K187-P199 VanDerWaalsContact CE-O 3.23Å; K187-P199 WeakPolarHBondContact CE-O 3.25Å; K187-P199 PolarHBondContact NZ-O 3.34Å; P199-K204 HydrophobicContact CB-CG 4.32Å |
| 200 | S | 92.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -19.7 | 173.4 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | K187 H198 | K187-S200 WeakPolarHBondContact CD-O 3.23Å; H198-S200 PolarHBondContact CE1-OG 3.02Å; H198-S200 WeakPolarHBondContact ND1-CB 3.5Å; H198-S200 PolarHBondContact ND1-N 3.26Å; H198-S200 PolarHBondContact ND1-OG 3.39Å; H198-S200 PolarHBondContact O-N 2.83Å; H198-S200 VanDerWaalsContact O-N 3.1Å |
| 201 | N | 94.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -41.5 | -175.1 | -176 | 53.8 | 0 | 0 | 0 | 112 | C186 K187 C193 R196 H198 | C186-N201 CarbonylContact C-O 3.57Å; C186-N201 VanDerWaalsContact CA-O 3.31Å; C186-N201 WeakPolarHBondContact CA-O 3.46Å; K187-N201 PolarHBondContact N-O 2.57Å; C193-N201 PolarHBondContact O-ND2 2.89Å; R196-N201 PolarHBondContact O-ND2 2.66Å; H198-N201 HydrophobicContact CB-CB 4.36Å; H198-N201 PolarHBondContact O-N 3.26Å |
| 202 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -108.8 | 147.4 | -175.6 | -64 | 167.7 | 0 | 0 | 0 | 110.1 | C157 V181 C185 K187 R196 D197 H198 K204 | C157-I202 HydrophobicContact CB-CG2 4.01Å; V181-I202 HydrophobicContact CG2-CD1 3.54Å; V181-I202 HydrophobicContact CG2-CG1 4.04Å; C185-I202 HydrophobicContact CB-CG2 4.11Å; C185-I202 WeakPolarHBondContact O-CA 3.46Å; K187-I202 WeakPolarHBondContact CE-O 3.31Å; R196-I202 WeakPolarHBondContact O-CD1 3.28Å; D197-I202 HydrophobicContact CB-CD1 4.49Å; H198-I202 PolarHBondContact O-N 2.91Å; I202-K204 PolarHBondContact O-N 3.27Å |
| 203 | Y | 96 | Very high | 93.1 | Very high | 30 Ų | 30 | 56 Ų | 56 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -65.3 | 111.3 | 168.5 | -63.9 | -61.7 | 0 | 0 | 0 | 111.2 | K155 C157 C185 C186 K187 | K155-Y203 HydrophobicContact CB-CD1 3.74Å; K155-Y203 HydrophobicContact CB-CE1 3.52Å; K155-Y203 HydrophobicContact CB-CE2 4.45Å; K155-Y203 HydrophobicContact CB-CG 4.32Å; K155-Y203 HydrophobicContact CD-CE1 4.37Å; K155-Y203 HydrophobicContact CG-CE1 3.88Å; K155-Y203 WeakPolarHBondContact O-CB 3.42Å; K155-Y203 WeakPolarHBondContact O-CD1 3.49Å; C157-Y203 VanDerWaalsContact CB-O 3.26Å; C157-Y203 WeakPolarHBondContact CB-O 2.94Å; C185-Y203 VanDerWaalsContact O-CD2 3.22Å; C185-Y203 WeakPolarHBondContact O-CD2 3.31Å; C185-Y203 PolarHBondContact O-N 2.87Å; C186-Y203 WeakPolarHBondContact O-CE2 3.37Å; K187-Y203 HydrophobicContact CB-CE1 4.29Å; K187-Y203 HydrophobicContact CD-CE1 4.44Å; K187-Y203 HydrophobicContact CG-CD1 3.89Å; K187-Y203 HydrophobicContact CG-CE1 3.66Å; K187-Y203 HydrophobicContact CG-CG 4.48Å | ||
| 204 | K | 93 | Very high | 92.7 | Very high | 86 Ų | 86 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -112.9 | 87 | 173.8 | -64.9 | -79.4 | -174.5 | 171.8 | 0 | 107.7 | S162 D197 P199 I202 | S162-K204 WeakPolarHBondContact OG-CE 3.19Å; S162-K204 PolarHBondContact OG-NZ 2.89Å; D197-K204 VanDerWaalsContact CG-NZ 3.33Å; D197-K204 WeakPolarHBondContact OD1-CE 2.99Å; D197-K204 IonicContact OD1-NZ 3.22Å; D197-K204 PolarHBondContact OD1-NZ 3.28Å; D197-K204 IonicContact OD2-NZ 2.78Å; D197-K204 PolarHBondContact OD2-NZ 3.38Å; D197-K204 VanDerWaalsContact OD2-NZ 3.12Å; P199-K204 HydrophobicContact CB-CG 4.32Å; I202-K204 PolarHBondContact O-N 3.27Å | ||
| 205 | V | 91.3 | Very high | 92.5 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -110.3 | 135.4 | -179.7 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | K155 G207 G208 K212 | K155-V205 VanDerWaalsContact O-CG2 3.29Å; K155-V205 WeakPolarHBondContact O-CG2 3.31Å; V205-G207 PolarHBondContact O-N 3.16Å; V205-G208 PolarHBondContact O-N 2.86Å; V205-K212 HydrophobicContact CG1-CD 4.45Å; V205-K212 VanDerWaalsContact CG1-CE 3.43Å; V205-K212 HydrophobicContact CG1-CG 4.23Å | ||
| 206 | E | 88.4 | Confident | 92.2 | Very high | 187 Ų | 187 | 60 Ų | 60 | 87% | 0.874 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 130.5 | 175.4 | -167.9 | 176 | -176.1 | 0 | 0 | 110.3 | G208 | E206-G208 PolarHBondContact O-N 2.99Š|
| 207 | G | 89.1 | Confident | 91.9 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -0.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N160 V205 T211 | N160-G207 CarbonylContact O-C 3.49Å; V205-G207 PolarHBondContact O-N 3.16Å; G207-T211 VanDerWaalsContact CA-OG1 3.3Å; G207-T211 WeakPolarHBondContact CA-OG1 3.39Å; G207-T211 PolarHBondContact O-N 2.03Å; G207-T211 PolarHBondContact O-OG1 3.08Å |
| 208 | G | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | 64.8 | -153.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S159 N160 V205 E206 | S159-G208 CarbonylContact O-C 3.1Å; N160-G208 VanDerWaalsContact O-CA 3.25Å; N160-G208 WeakPolarHBondContact O-CA 3.29Å; N160-G208 PolarHBondContact O-N 3.44Å; V205-G208 PolarHBondContact O-N 2.86Å; E206-G208 PolarHBondContact O-N 2.99Å |
| 209 | C | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.9 | -28.7 | 178.6 | -67.3 | 0 | 0 | 0 | 0 | 113.3 | L127 M131 L150 C156 G158 S159 K212 L213 | L127-C209 HydrophobicContact CD2-CB 4.35Å; M131-C209 HydrophobicContact CE-CB 3.99Å; L150-C209 HydrophobicContact CD2-CB 4.02Å; L150-C209 HydrophobicContact CG-CB 4.34Å; C156-C209 HydrophobicContact CB-CB 3.93Å; C156-C209 WeakPolarHBondContact CB-SG 3.39Å; C156-C209 WeakPolarHBondContact SG-CA 3.45Å; C156-C209 WeakPolarHBondContact SG-CB 3.29Å; C156-C209 CovalentContact SG-SG 2.03Å; C156-C209 PolarHBondContact SG-SG 3.3Å; G158-C209 VanDerWaalsContact O-CB 3.28Å; G158-C209 WeakPolarHBondContact O-CB 3.49Å; G158-C209 PolarHBondContact O-N 3.33Å; G158-C209 PolarHBondContact O-SG 3.31Å; S159-C209 PolarHBondContact O-N 3.08Å; C209-K212 PolarHBondContact O-N 3Å; C209-L213 VanDerWaalsContact O-CB 3.26Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 PolarHBondContact O-N 3.09Å |
| 210 | I | 92.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -56.5 | 175.9 | -77.1 | 171.9 | 0 | 0 | 0 | 109.9 | K124 L127 S159 K212 L213 E214 | K124-I210 HydrophobicContact CB-CD1 4.08Å; K124-I210 HydrophobicContact CD-CG2 4.24Å; K124-I210 HydrophobicContact CG-CD1 4.06Å; K124-I210 HydrophobicContact CG-CG2 3.57Å; L127-I210 HydrophobicContact CD2-CG1 3.84Å; S159-I210 WeakPolarHBondContact O-CB 3.48Å; S159-I210 WeakPolarHBondContact O-CG1 3.44Å; S159-I210 PolarHBondContact O-N 3.33Å; S159-I210 WeakPolarHBondContact OG-CD1 3.31Å; S159-I210 WeakPolarHBondContact OG-CG1 3.49Å; I210-K212 VanDerWaalsContact C-N 3.26Å; I210-K212 PolarHBondContact O-N 2.7Å; I210-L213 PolarHBondContact O-N 3.27Å; I210-L213 VanDerWaalsContact O-N 3.14Å; I210-E214 HydrophobicContact CG2-CG 4.38Å; I210-E214 WeakPolarHBondContact O-CG 3.25Å; I210-E214 PolarHBondContact O-N 3.01Å |
| 211 | T | 91.7 | Very high | 91.1 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 27% | 0.27 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | -174.4 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | G207 Q215 | G207-T211 VanDerWaalsContact CA-OG1 3.3Å; G207-T211 WeakPolarHBondContact CA-OG1 3.39Å; G207-T211 PolarHBondContact O-N 2.03Å; G207-T211 PolarHBondContact O-OG1 3.08Å; T211-Q215 WeakPolarHBondContact O-CB 3.38Å; T211-Q215 WeakPolarHBondContact O-CG 3.32Å; T211-Q215 PolarHBondContact O-N 2.84Å |
| 212 | K | 92.6 | Very high | 90.8 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.5 | -71.2 | -71.1 | 162.9 | -156.1 | 0 | 112.6 | F154 C156 V205 C209 I210 F216 | F154-K212 HydrophobicContact CB-CB 3.9Å; F154-K212 HydrophobicContact CD1-CB 4.12Å; F154-K212 HydrophobicContact CG-CB 4.31Å; C156-K212 HydrophobicContact CB-CG 4.38Å; V205-K212 HydrophobicContact CG1-CD 4.45Å; V205-K212 VanDerWaalsContact CG1-CE 3.43Å; V205-K212 HydrophobicContact CG1-CG 4.23Å; C209-K212 PolarHBondContact O-N 3Å; I210-K212 VanDerWaalsContact C-N 3.26Å; I210-K212 PolarHBondContact O-N 2.7Å; K212-F216 WeakPolarHBondContact O-CB 3.34Å; K212-F216 PolarHBondContact O-N 2.81Å |
| 213 | L | 90.4 | Very high | 90.6 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | 176.9 | -171.7 | 56.4 | 0 | 0 | 0 | 110.8 | L123 L150 F154 C209 I210 Q215 F216 L217 | L123-L213 HydrophobicContact CD1-CD2 3.73Å; L123-L213 HydrophobicContact CD2-CB 4.48Å; L123-L213 HydrophobicContact CD2-CD2 3.74Å; L123-L213 HydrophobicContact CD2-CG 3.93Å; L123-L213 HydrophobicContact CG-CD2 4.18Å; L150-L213 HydrophobicContact CD1-CD1 4.16Å; L150-L213 HydrophobicContact CD1-CD2 4.07Å; F154-L213 HydrophobicContact CE2-CD1 4.22Å; F154-L213 HydrophobicContact CZ-CD1 4.14Å; C209-L213 VanDerWaalsContact O-CB 3.26Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 PolarHBondContact O-N 3.09Å; I210-L213 PolarHBondContact O-N 3.27Å; I210-L213 VanDerWaalsContact O-N 3.14Å; L213-Q215 PolarHBondContact O-N 3.03Å; L213-F216 WeakPolarHBondContact O-CB 3.49Å; L213-F216 PolarHBondContact O-N 3.12Å; L213-L217 HydrophobicContact CD1-CD1 3.5Å; L213-L217 HydrophobicContact CG-CD1 3.64Å; L213-L217 WeakPolarHBondContact O-CD1 3.26Å; L213-L217 PolarHBondContact O-N 3.25Å |
| 214 | E | 88.3 | Confident | 90.4 | Very high | 40 Ų | 40 | 65.4 Ų | 65.4 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.7 | -74.2 | -174.7 | 127.8 | 0 | 0 | 112.2 | K124 I210 F216 L217 A218 | K124-E214 WeakPolarHBondContact CE-OE1 3.36Å; K124-E214 WeakPolarHBondContact CE-OE2 3.44Å; K124-E214 IonicContact NZ-OE1 3.78Å; K124-E214 PolarHBondContact NZ-OE1 2.91Å; K124-E214 IonicContact NZ-OE2 3.7Å; K124-E214 PolarHBondContact NZ-OE2 3.36Å; I210-E214 HydrophobicContact CG2-CG 4.38Å; I210-E214 WeakPolarHBondContact O-CG 3.25Å; I210-E214 PolarHBondContact O-N 3.01Å; E214-F216 VanDerWaalsContact C-N 3.32Å; E214-F216 PolarHBondContact O-N 3.14Å; E214-L217 PolarHBondContact O-N 3.02Å; E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.39Å; E214-A218 PolarHBondContact O-N 3.38Å |
| 215 | Q | 90.2 | Very high | 90.3 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 175.8 | -77.4 | 172.3 | -7.6 | 0 | 0 | 111.3 | T211 L213 A218 D219 | T211-Q215 WeakPolarHBondContact O-CB 3.38Å; T211-Q215 WeakPolarHBondContact O-CG 3.32Å; T211-Q215 PolarHBondContact O-N 2.84Å; L213-Q215 PolarHBondContact O-N 3.03Å; Q215-A218 PolarHBondContact O-N 2.78Å; Q215-D219 WeakPolarHBondContact O-CB 3.17Å; Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 3.08Å |
| 216 | F | 89.8 | Confident | 90.5 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 177.8 | 177.4 | -94.5 | 0 | 0 | 0 | 112.8 | F154 K212 L213 E214 A218 D219 H220 | F154-F216 HydrophobicContact CD1-CB 4.41Å; F154-F216 HydrophobicContact CE1-CB 3.44Å; F154-F216 VanDerWaalsContact CE1-CB 3.44Å; F154-F216 HydrophobicContact CE1-CD1 4.16Å; F154-F216 AromaticContact CE1-CD2 3.57Å; F154-F216 HydrophobicContact CE1-CD2 3.57Å; F154-F216 HydrophobicContact CE1-CE2 4.31Å; F154-F216 AromaticContact CE1-CG 3.46Å; F154-F216 HydrophobicContact CE1-CG 3.46Å; F154-F216 VanDerWaalsContact CE1-CG 3.46Å; F154-F216 HydrophobicContact CZ-CB 3.99Å; F154-F216 AromaticContact CZ-CD1 3.84Å; F154-F216 HydrophobicContact CZ-CD1 3.84Å; F154-F216 AromaticContact CZ-CD2 3.84Å; F154-F216 HydrophobicContact CZ-CD2 3.84Å; F154-F216 HydrophobicContact CZ-CE1 4.26Å; F154-F216 HydrophobicContact CZ-CE2 4.22Å; F154-F216 AromaticContact CZ-CG 3.62Å; F154-F216 HydrophobicContact CZ-CG 3.62Å; F154-F216 HydrophobicContact CZ-CZ 4.42Å; K212-F216 WeakPolarHBondContact O-CB 3.34Å; K212-F216 PolarHBondContact O-N 2.81Å; L213-F216 WeakPolarHBondContact O-CB 3.49Å; L213-F216 PolarHBondContact O-N 3.12Å; E214-F216 VanDerWaalsContact C-N 3.32Å; E214-F216 PolarHBondContact O-N 3.14Å; F216-A218 VanDerWaalsContact C-N 3.33Å; F216-A218 PolarHBondContact O-N 2.89Å; F216-D219 PolarHBondContact O-N 2.7Å; F216-H220 AromaticContact CD1-CD2 3.85Å; F216-H220 AromaticContact CD2-CD2 3.58Å; F216-H220 AromaticContact CD2-NE2 3.63Å; F216-H220 AromaticContact CE1-CD2 3.58Å; F216-H220 AromaticContact CE1-NE2 4Å; F216-H220 AromaticContact CE2-CD2 3.32Å; F216-H220 WeakPolarHBondContact CE2-CD2 3.36Å; F216-H220 AromaticContact CE2-NE2 3Å; F216-H220 WeakPolarHBondContact CE2-NE2 3.16Å; F216-H220 AromaticContact CG-CD2 3.85Å; F216-H220 AromaticContact CZ-CD2 3.31Å; F216-H220 WeakPolarHBondContact CZ-CD2 3.49Å; F216-H220 AromaticContact CZ-NE2 3.22Å; F216-H220 WeakPolarHBondContact CZ-NE2 3.39Å; F216-H220 WeakPolarHBondContact O-CB 3.33Å; F216-H220 PolarHBondContact O-CD2 3.38Å; F216-H220 PolarHBondContact O-N 2.82Å |
| 217 | L | 87.1 | Confident | 90.7 | Very high | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.9 | -86.4 | 83.7 | 0 | 0 | 0 | 110.9 | Y116 L213 E214 H220 L221 | Y116-L217 HydrophobicContact CE2-CB 4.13Å; L213-L217 HydrophobicContact CD1-CD1 3.5Å; L213-L217 HydrophobicContact CG-CD1 3.64Å; L213-L217 WeakPolarHBondContact O-CD1 3.26Å; L213-L217 PolarHBondContact O-N 3.25Å; E214-L217 PolarHBondContact O-N 3.02Å; L217-H220 PolarHBondContact O-N 3.3Å; L217-L221 VanDerWaalsContact O-CB 3.26Å; L217-L221 WeakPolarHBondContact O-CB 3.41Å; L217-L221 WeakPolarHBondContact O-CD1 3.01Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 3.01Å |
| 218 | A | 88.9 | Confident | 90.9 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y116 E214 Q215 F216 L221 L222 | Y116-A218 WeakPolarHBondContact OH-CB 3.36Å; E214-A218 VanDerWaalsContact O-CB 3.3Å; E214-A218 WeakPolarHBondContact O-CB 3.39Å; E214-A218 PolarHBondContact O-N 3.38Å; Q215-A218 PolarHBondContact O-N 2.78Å; F216-A218 VanDerWaalsContact C-N 3.33Å; F216-A218 PolarHBondContact O-N 2.89Å; A218-L221 PolarHBondContact O-N 3.47Å; A218-L222 WeakPolarHBondContact O-CB 3.35Å; A218-L222 PolarHBondContact O-N 2.94Å |
| 219 | D | 89.5 | Confident | 91 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | -180 | -72 | -19.5 | 0 | 0 | 0 | 111.3 | Q215 F216 L222 V223 | Q215-D219 WeakPolarHBondContact O-CB 3.17Å; Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 3.08Å; F216-D219 PolarHBondContact O-N 2.7Å; D219-L222 WeakPolarHBondContact O-CB 3.39Å; D219-L222 PolarHBondContact O-N 3.13Å; D219-V223 PolarHBondContact O-N 3.2Å |
| 220 | H | 88 | Confident | 91 | Very high | 94 Ų | 94 | 66.7 Ų | 66.7 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 176.9 | -81.5 | -68.3 | 0 | 0 | 0 | 112.8 | F216 L217 L222 V223 I224 | F216-H220 AromaticContact CD1-CD2 3.85Å; F216-H220 AromaticContact CD2-CD2 3.58Å; F216-H220 AromaticContact CD2-NE2 3.63Å; F216-H220 AromaticContact CE1-CD2 3.58Å; F216-H220 AromaticContact CE1-NE2 4Å; F216-H220 AromaticContact CE2-CD2 3.32Å; F216-H220 WeakPolarHBondContact CE2-CD2 3.36Å; F216-H220 AromaticContact CE2-NE2 3Å; F216-H220 WeakPolarHBondContact CE2-NE2 3.16Å; F216-H220 AromaticContact CG-CD2 3.85Å; F216-H220 AromaticContact CZ-CD2 3.31Å; F216-H220 WeakPolarHBondContact CZ-CD2 3.49Å; F216-H220 AromaticContact CZ-NE2 3.22Å; F216-H220 WeakPolarHBondContact CZ-NE2 3.39Å; F216-H220 WeakPolarHBondContact O-CB 3.33Å; F216-H220 PolarHBondContact O-CD2 3.38Å; F216-H220 PolarHBondContact O-N 2.82Å; L217-H220 PolarHBondContact O-N 3.3Å; H220-L222 VanDerWaalsContact C-N 3.29Å; H220-L222 PolarHBondContact O-N 2.94Å; H220-V223 PolarHBondContact O-N 2.96Å; H220-I224 VanDerWaalsContact O-CG1 3.29Å; H220-I224 WeakPolarHBondContact O-CG1 3.06Å; H220-I224 PolarHBondContact O-N 2.89Å |
| 221 | L | 87.9 | Confident | 91.1 | Very high | 59 Ų | 59 | 68.7 Ų | 68.7 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.2 | -32.5 | 175.3 | -77.4 | 167.9 | 0 | 0 | 0 | 112.4 | Y116 L217 A218 I224 G225 | Y116-L221 HydrophobicContact CD1-CD1 4.09Å; Y116-L221 HydrophobicContact CD2-CD1 2.98Å; Y116-L221 HydrophobicContact CD2-CG 4.48Å; Y116-L221 HydrophobicContact CE1-CD1 4.38Å; Y116-L221 HydrophobicContact CE2-CD1 3.33Å; Y116-L221 HydrophobicContact CG-CD1 3.38Å; L217-L221 VanDerWaalsContact O-CB 3.26Å; L217-L221 WeakPolarHBondContact O-CB 3.41Å; L217-L221 WeakPolarHBondContact O-CD1 3.01Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 3.01Å; A218-L221 PolarHBondContact O-N 3.47Å; L221-I224 PolarHBondContact O-N 3Å; L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 3.45Å |
| 222 | L | 89.2 | Confident | 91.2 | Very high | 120 Ų | 120 | 67.7 Ų | 67.7 | 63% | 0.628 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.7 | -46.9 | 173.4 | -173.3 | 156.5 | 0 | 0 | 0 | 110.6 | A218 D219 H220 G225 A226 | A218-L222 WeakPolarHBondContact O-CB 3.35Å; A218-L222 PolarHBondContact O-N 2.94Å; D219-L222 WeakPolarHBondContact O-CB 3.39Å; D219-L222 PolarHBondContact O-N 3.13Å; H220-L222 VanDerWaalsContact C-N 3.29Å; H220-L222 PolarHBondContact O-N 2.94Å; L222-G225 PolarHBondContact O-N 3.39Å; L222-A226 WeakPolarHBondContact O-CB 3.39Å; L222-A226 PolarHBondContact O-N 3.13Å |
| 223 | V | 92.2 | Very high | 91.3 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | D219 H220 G225 A226 V227 | D219-V223 PolarHBondContact O-N 3.2Å; H220-V223 PolarHBondContact O-N 2.96Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 3.19Å; V223-A226 PolarHBondContact O-N 3.16Å; V223-V227 WeakPolarHBondContact O-CG2 3.08Å; V223-V227 PolarHBondContact O-N 2.78Å |
| 224 | I | 90.4 | Very high | 91.4 | Very high | 113 Ų | 113 | 70 Ų | 70 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 178.3 | -66.4 | 165.4 | 0 | 0 | 0 | 110.5 | H220 L221 V227 G228 | H220-I224 VanDerWaalsContact O-CG1 3.29Å; H220-I224 WeakPolarHBondContact O-CG1 3.06Å; H220-I224 PolarHBondContact O-N 2.89Å; L221-I224 PolarHBondContact O-N 3Å; I224-V227 PolarHBondContact O-N 2.89Å; I224-G228 PolarHBondContact O-N 3.32Å |
| 225 | G | 92.4 | Very high | 91.6 | Very high | 34 Ų | 34 | 69.1 Ų | 69.1 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L221 L222 V223 G228 I229 | L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 3.45Å; L222-G225 PolarHBondContact O-N 3.39Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 3.19Å; G225-G228 PolarHBondContact O-N 3.33Å; G225-I229 WeakPolarHBondContact O-CG1 3.3Å; G225-I229 PolarHBondContact O-N 2.7Å |
| 226 | A | 93.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L222 V223 G230 | L222-A226 WeakPolarHBondContact O-CB 3.39Å; L222-A226 PolarHBondContact O-N 3.13Å; V223-A226 PolarHBondContact O-N 3.16Å; A226-G230 PolarHBondContact O-N 2.99Å |
| 227 | V | 93.4 | Very high | 91.9 | Very high | 91 Ų | 91 | 67 Ų | 67 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | V223 I224 I229 G230 V231 | V223-V227 WeakPolarHBondContact O-CG2 3.08Å; V223-V227 PolarHBondContact O-N 2.78Å; I224-V227 PolarHBondContact O-N 2.89Å; V227-I229 PolarHBondContact O-N 3.41Å; V227-G230 PolarHBondContact O-N 3.07Å; V227-G230 VanDerWaalsContact O-N 3.15Å; V227-V231 HydrophobicContact CG1-CG2 4.48Å; V227-V231 WeakPolarHBondContact O-CG2 3.18Å; V227-V231 PolarHBondContact O-N 2.87Å |
| 228 | G | 93.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 64.8 Ų | 64.8 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I224 G225 G230 V231 A232 | I224-G228 PolarHBondContact O-N 3.32Å; G225-G228 PolarHBondContact O-N 3.33Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.91Å; G228-V231 PolarHBondContact O-N 3.5Å; G228-A232 WeakPolarHBondContact O-CB 3.35Å; G228-A232 PolarHBondContact O-N 2.87Å |
| 229 | I | 94.9 | Very high | 92.4 | Very high | 116 Ų | 116 | 64.1 Ų | 64.1 | 60% | 0.595 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 174.4 | -67.8 | 166.7 | 0 | 0 | 0 | 110.6 | G225 V227 V231 A232 C233 | G225-I229 WeakPolarHBondContact O-CG1 3.3Å; G225-I229 PolarHBondContact O-N 2.7Å; V227-I229 PolarHBondContact O-N 3.41Å; I229-V231 PolarHBondContact O-N 3.4Å; I229-A232 PolarHBondContact O-N 3.29Å; I229-C233 PolarHBondContact O-N 3.49Å; I229-C233 PolarHBondContact O-SG 3.09Å; I229-C233 VanDerWaalsContact O-SG 3.35Å |
| 230 | G | 95.2 | Very high | 92.6 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A226 V227 G228 C233 L234 | A226-G230 PolarHBondContact O-N 2.99Å; V227-G230 PolarHBondContact O-N 3.07Å; V227-G230 VanDerWaalsContact O-N 3.15Å; G228-G230 VanDerWaalsContact C-N 3.33Å; G228-G230 PolarHBondContact O-N 2.91Å; G230-C233 PolarHBondContact O-N 3.26Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 2.91Å |
| 231 | V | 92.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | V227 G228 I229 C233 L234 Q235 | V227-V231 HydrophobicContact CG1-CG2 4.48Å; V227-V231 WeakPolarHBondContact O-CG2 3.18Å; V227-V231 PolarHBondContact O-N 2.87Å; G228-V231 PolarHBondContact O-N 3.5Å; I229-V231 PolarHBondContact O-N 3.4Å; V231-C233 PolarHBondContact O-N 3.46Å; V231-L234 PolarHBondContact O-N 3.24Å; V231-Q235 HydrophobicContact CG1-CG 4.5Å; V231-Q235 WeakPolarHBondContact O-CG 3.27Å; V231-Q235 PolarHBondContact O-N 3.43Å |
| 232 | A | 94.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F102 G228 I229 L234 Q235 I236 | F102-A232 HydrophobicContact CD2-CB 4.49Å; F102-A232 HydrophobicContact CE2-CB 4.14Å; G228-A232 WeakPolarHBondContact O-CB 3.35Å; G228-A232 PolarHBondContact O-N 2.87Å; I229-A232 PolarHBondContact O-N 3.29Å; A232-L234 PolarHBondContact O-N 2.75Å; A232-Q235 PolarHBondContact O-N 2.82Å; A232-I236 VanDerWaalsContact O-CG1 3.31Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 2.93Å |
| 233 | C | 94.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 47% | 0.466 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.8 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | I229 G230 V231 Q235 I236 C237 | I229-C233 PolarHBondContact O-N 3.49Å; I229-C233 PolarHBondContact O-SG 3.09Å; I229-C233 VanDerWaalsContact O-SG 3.35Å; G230-C233 PolarHBondContact O-N 3.26Å; V231-C233 PolarHBondContact O-N 3.46Å; C233-Q235 VanDerWaalsContact C-N 3.34Å; C233-Q235 PolarHBondContact O-N 3.13Å; C233-I236 PolarHBondContact O-N 3.35Å; C233-C237 PolarHBondContact O-N 3.11Å; C233-C237 PolarHBondContact O-SG 2.79Å; C233-C237 VanDerWaalsContact O-SG 3.34Å |
| 234 | L | 92.2 | Very high | 92.8 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.9 | -70.9 | -179.5 | 0 | 0 | 0 | 112.2 | F24 F28 G230 V231 A232 C237 G238 | F24-L234 HydrophobicContact CE2-CB 4.27Å; F24-L234 HydrophobicContact CE2-CD1 4.28Å; F24-L234 HydrophobicContact CE2-CD2 3.98Å; F24-L234 HydrophobicContact CE2-CG 4.41Å; F24-L234 HydrophobicContact CZ-CB 3.97Å; F28-L234 HydrophobicContact CZ-CD1 3.99Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 2.91Å; V231-L234 PolarHBondContact O-N 3.24Å; A232-L234 PolarHBondContact O-N 2.75Å; L234-C237 PolarHBondContact O-N 3.05Å; L234-G238 PolarHBondContact O-N 3.33Å |
| 235 | Q | 93.1 | Very high | 92.6 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 174.1 | -73.9 | 176.4 | 7.6 | 0 | 0 | 112.1 | F102 E105 V231 A232 C233 C237 G238 M239 | F102-Q235 VanDerWaalsContact CA-OE1 3.3Å; E105-Q235 PolarHBondContact OE1-NE2 3.48Å; E105-Q235 PolarHBondContact OE2-NE2 3.08Å; E105-Q235 VanDerWaalsContact OE2-NE2 3.11Å; E105-Q235 PolarHBondContact OE2-OE1 3.41Å; V231-Q235 HydrophobicContact CG1-CG 4.5Å; V231-Q235 WeakPolarHBondContact O-CG 3.27Å; V231-Q235 PolarHBondContact O-N 3.43Å; A232-Q235 PolarHBondContact O-N 2.82Å; C233-Q235 VanDerWaalsContact C-N 3.34Å; C233-Q235 PolarHBondContact O-N 3.13Å; Q235-C237 VanDerWaalsContact C-N 3.34Å; Q235-C237 PolarHBondContact O-N 2.99Å; Q235-G238 PolarHBondContact O-N 3Å; Q235-M239 WeakPolarHBondContact O-CG 3.12Å; Q235-M239 PolarHBondContact O-N 2.67Å |
| 236 | I | 94.7 | Very high | 92.4 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.9 | -67.8 | 166.4 | 0 | 0 | 0 | 110.5 | F102 A232 C233 G238 M239 V240 | F102-I236 HydrophobicContact CD2-CG1 4.49Å; F102-I236 HydrophobicContact CE2-CD1 3.95Å; F102-I236 HydrophobicContact CE2-CG1 4.05Å; F102-I236 HydrophobicContact CZ-CD1 4.3Å; A232-I236 VanDerWaalsContact O-CG1 3.31Å; A232-I236 WeakPolarHBondContact O-CG1 3.42Å; A232-I236 PolarHBondContact O-N 2.93Å; C233-I236 PolarHBondContact O-N 3.35Å; I236-G238 VanDerWaalsContact C-N 3.34Å; I236-G238 PolarHBondContact O-N 3.3Å; I236-M239 HydrophobicContact CB-CE 4.47Å; I236-M239 HydrophobicContact CG1-CE 3.97Å; I236-M239 PolarHBondContact O-N 3.14Å; I236-V240 HydrophobicContact CG2-CG2 4.45Å; I236-V240 WeakPolarHBondContact O-CG2 3.42Å; I236-V240 PolarHBondContact O-N 3.24Å |
| 237 | C | 92.2 | Very high | 92 | Very high | 60 Ų | 60 | 57 Ų | 57 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.8 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | C233 L234 Q235 M239 V240 F241 | C233-C237 PolarHBondContact O-N 3.11Å; C233-C237 PolarHBondContact O-SG 2.79Å; C233-C237 VanDerWaalsContact O-SG 3.34Å; L234-C237 PolarHBondContact O-N 3.05Å; Q235-C237 VanDerWaalsContact C-N 3.34Å; Q235-C237 PolarHBondContact O-N 2.99Å; C237-M239 PolarHBondContact O-N 3.07Å; C237-V240 PolarHBondContact O-N 3.2Å; C237-F241 HydrophobicContact CB-CE2 4.48Å; C237-F241 WeakPolarHBondContact O-CD2 3.29Å; C237-F241 VanDerWaalsContact O-CG 3.27Å; C237-F241 WeakPolarHBondContact O-CG 3.46Å; C237-F241 PolarHBondContact O-N 3.15Å |
| 238 | G | 91.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L234 Q235 I236 F241 T242 | L234-G238 PolarHBondContact O-N 3.33Å; Q235-G238 PolarHBondContact O-N 3Å; I236-G238 VanDerWaalsContact C-N 3.34Å; I236-G238 PolarHBondContact O-N 3.3Å; G238-F241 PolarHBondContact O-N 2.68Å; G238-T242 VanDerWaalsContact O-CB 3.31Å; G238-T242 WeakPolarHBondContact O-CB 3.38Å; G238-T242 PolarHBondContact O-N 2.82Å; G238-T242 PolarHBondContact O-OG1 3.32Å |
| 239 | M | 94.3 | Very high | 91 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.7 | -77 | -170.2 | -74.4 | 0 | 0 | 111.8 | F95 L98 L99 F102 Q235 I236 C237 T242 C243 | F95-M239 HydrophobicContact CD2-CB 4.13Å; F95-M239 HydrophobicContact CD2-CG 4.07Å; F95-M239 HydrophobicContact CE2-CB 3.79Å; F95-M239 HydrophobicContact CE2-CG 3.91Å; F95-M239 HydrophobicContact CE2-SD 4.18Å; F95-M239 HydrophobicContact CZ-SD 4.44Å; L98-M239 HydrophobicContact CB-CG 3.84Å; L98-M239 HydrophobicContact CB-SD 4.44Å; L98-M239 HydrophobicContact CD1-CG 4.01Å; L99-M239 HydrophobicContact CB-SD 4.28Å; L99-M239 HydrophobicContact CD1-SD 4.35Å; F102-M239 HydrophobicContact CB-CE 4.33Å; F102-M239 HydrophobicContact CD2-CE 4.43Å; F102-M239 HydrophobicContact CG-CE 4.22Å; Q235-M239 WeakPolarHBondContact O-CG 3.12Å; Q235-M239 PolarHBondContact O-N 2.67Å; I236-M239 HydrophobicContact CB-CE 4.47Å; I236-M239 HydrophobicContact CG1-CE 3.97Å; I236-M239 PolarHBondContact O-N 3.14Å; C237-M239 PolarHBondContact O-N 3.07Å; M239-T242 PolarHBondContact O-N 2.91Å; M239-C243 WeakPolarHBondContact O-CB 3.23Å; M239-C243 PolarHBondContact O-N 2.86Å; M239-C243 PolarHBondContact O-SG 3.48Å; M239-C243 VanDerWaalsContact O-SG 3.37Å |
| 240 | V | 93.1 | Very high | 89.7 | Confident | 77 Ų | 77 | 60 Ų | 60 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I236 C237 T242 C243 C244 | I236-V240 HydrophobicContact CG2-CG2 4.45Å; I236-V240 WeakPolarHBondContact O-CG2 3.42Å; I236-V240 PolarHBondContact O-N 3.24Å; C237-V240 PolarHBondContact O-N 3.2Å; V240-T242 VanDerWaalsContact C-N 3.32Å; V240-T242 PolarHBondContact O-N 3.4Å; V240-C243 WeakPolarHBondContact O-CB 3.38Å; V240-C243 PolarHBondContact O-N 2.63Å; V240-C244 WeakPolarHBondContact O-CB 3.07Å; V240-C244 PolarHBondContact O-N 3.14Å; V240-C244 PolarHBondContact O-SG 3.5Å |
| 241 | F | 90.9 | Very high | 87.8 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 178.3 | -65.1 | -20.6 | 0 | 0 | 0 | 112.2 | L17 L21 C237 G238 C244 L245 | L17-F241 HydrophobicContact CD2-CD1 3.8Å; L17-F241 HydrophobicContact CD2-CE1 4.25Å; L17-F241 HydrophobicContact CD2-CG 4.27Å; L21-F241 HydrophobicContact CD1-CB 4.28Å; C237-F241 HydrophobicContact CB-CE2 4.48Å; C237-F241 WeakPolarHBondContact O-CD2 3.29Å; C237-F241 VanDerWaalsContact O-CG 3.27Å; C237-F241 WeakPolarHBondContact O-CG 3.46Å; C237-F241 PolarHBondContact O-N 3.15Å; G238-F241 PolarHBondContact O-N 2.68Å; F241-C244 PolarHBondContact O-N 3.04Å; F241-L245 WeakPolarHBondContact O-CB 3.34Å; F241-L245 PolarHBondContact O-N 2.85Å |
| 242 | T | 91.1 | Very high | 85.8 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | L91 Y94 F95 G238 M239 V240 L245 H246 | L91-T242 HydrophobicContact CB-CG2 4.18Å; L91-T242 HydrophobicContact CD2-CG2 3.98Å; L91-T242 WeakPolarHBondContact O-CG2 3.19Å; Y94-T242 HydrophobicContact CD1-CG2 3.99Å; Y94-T242 WeakPolarHBondContact CD1-OG1 3.3Å; Y94-T242 VanDerWaalsContact CE1-OG1 3.32Å; Y94-T242 WeakPolarHBondContact CE1-OG1 3.38Å; F95-T242 HydrophobicContact CB-CG2 3.99Å; G238-T242 VanDerWaalsContact O-CB 3.31Å; G238-T242 WeakPolarHBondContact O-CB 3.38Å; G238-T242 PolarHBondContact O-N 2.82Å; G238-T242 PolarHBondContact O-OG1 3.32Å; M239-T242 PolarHBondContact O-N 2.91Å; V240-T242 VanDerWaalsContact C-N 3.32Å; V240-T242 PolarHBondContact O-N 3.4Å; T242-L245 PolarHBondContact O-N 3.17Å; T242-H246 WeakPolarHBondContact O-CB 3.4Å; T242-H246 PolarHBondContact O-N 2.73Å |
| 243 | C | 90.6 | Very high | 83.4 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 34% | 0.338 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.9 | -78.4 | 0 | 0 | 0 | 0 | 112.6 | F95 M239 V240 H246 R247 | F95-C243 WeakPolarHBondContact CE2-SG 3.45Å; M239-C243 WeakPolarHBondContact O-CB 3.23Å; M239-C243 PolarHBondContact O-N 2.86Å; M239-C243 PolarHBondContact O-SG 3.48Å; M239-C243 VanDerWaalsContact O-SG 3.37Å; V240-C243 WeakPolarHBondContact O-CB 3.38Å; V240-C243 PolarHBondContact O-N 2.63Å; C243-H246 PolarHBondContact O-N 3.2Å; C243-R247 WeakPolarHBondContact O-CG 3.29Å; C243-R247 PolarHBondContact O-N 3.39Å; C243-R247 VanDerWaalsContact O-N 3.11Å |
| 244 | C | 88.8 | Confident | 80.9 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 175.6 | -71 | 0 | 0 | 0 | 0 | 110.9 | L17 V240 F241 R247 R248 | L17-C244 HydrophobicContact CD1-CB 4.11Å; V240-C244 WeakPolarHBondContact O-CB 3.07Å; V240-C244 PolarHBondContact O-N 3.14Å; V240-C244 PolarHBondContact O-SG 3.5Å; F241-C244 PolarHBondContact O-N 3.04Å; C244-R247 PolarHBondContact O-N 3.43Å; C244-R248 VanDerWaalsContact O-CG 3.3Å; C244-R248 WeakPolarHBondContact O-CG 3.42Å; C244-R248 PolarHBondContact O-N 2.96Å |
| 245 | L | 87.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 85.8 Ų | 85.8 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 179.3 | -175.6 | 59.5 | 0 | 0 | 0 | 111.9 | T14 K18 L21 V83 L91 F241 T242 R247 R248 I249 | T14-L245 HydrophobicContact CG2-CD1 4.17Å; K18-L245 HydrophobicContact CD-CD1 4.4Å; K18-L245 HydrophobicContact CG-CD1 3.69Å; K18-L245 HydrophobicContact CG-CD2 4.12Å; L21-L245 HydrophobicContact CD2-CD2 4.12Å; V83-L245 HydrophobicContact CG2-CD2 4.49Å; L91-L245 HydrophobicContact CD1-CD2 4.23Å; L91-L245 HydrophobicContact CD1-CG 4.07Å; L91-L245 HydrophobicContact CD2-CD2 3.99Å; F241-L245 WeakPolarHBondContact O-CB 3.34Å; F241-L245 PolarHBondContact O-N 2.85Å; T242-L245 PolarHBondContact O-N 3.17Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.19Å; L245-R248 PolarHBondContact O-N 3.25Å; L245-R248 VanDerWaalsContact O-N 3.11Å; L245-I249 HydrophobicContact CD1-CD1 4.09Å; L245-I249 HydrophobicContact CD1-CG1 4.23Å; L245-I249 HydrophobicContact CG-CD1 3.89Å; L245-I249 HydrophobicContact CG-CG1 4.46Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 2.89Å |
| 246 | H | 87.8 | Confident | 79.7 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 177.2 | -178.8 | -80.7 | 0 | 0 | 0 | 112.5 | L91 T242 C243 | L91-H246 HydrophobicContact CD1-CB 4.47Å; T242-H246 WeakPolarHBondContact O-CB 3.4Å; T242-H246 PolarHBondContact O-N 2.73Å; C243-H246 PolarHBondContact O-N 3.2Å |
| 247 | R | 86.3 | Confident | 78.9 | Confident | 211 Ų | 211 | 89.9 Ų | 89.9 | 80% | 0.796 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -71.5 | -32.3 | 175.5 | -73.4 | -179.6 | 179.6 | -177 | 1.1 | 112.9 | C243 C244 L245 | C243-R247 WeakPolarHBondContact O-CG 3.29Å; C243-R247 PolarHBondContact O-N 3.39Å; C243-R247 VanDerWaalsContact O-N 3.11Å; C244-R247 PolarHBondContact O-N 3.43Å; L245-R247 VanDerWaalsContact C-N 3.29Å; L245-R247 PolarHBondContact O-N 3.19Å |
| 248 | R | 83.6 | Confident | 78.1 | Confident | 101 Ų | 101 | 91.6 Ų | 91.6 | 38% | 0.381 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -80.8 | -32 | -176.6 | -69.8 | -70.2 | -172.2 | -163.9 | 7.9 | 113.2 | E10 T14 C244 L245 K250 | E10-R248 IonicContact OE1-CZ 3.92Å; E10-R248 VanDerWaalsContact OE1-CZ 3.28Å; E10-R248 IonicContact OE1-NH1 3.08Å; E10-R248 PolarHBondContact OE1-NH1 2.61Å; E10-R248 IonicContact OE1-NH2 3.28Å; E10-R248 PolarHBondContact OE1-NH2 3.41Å; E10-R248 IonicContact OE2-CZ 2.67Å; E10-R248 IonicContact OE2-NH1 2.94Å; E10-R248 PolarHBondContact OE2-NH1 3.13Å; E10-R248 VanDerWaalsContact OE2-NH1 3.08Å; T14-R248 HydrophobicContact CG2-CB 4.46Å; C244-R248 VanDerWaalsContact O-CG 3.3Å; C244-R248 WeakPolarHBondContact O-CG 3.42Å; C244-R248 PolarHBondContact O-N 2.96Å; L245-R248 PolarHBondContact O-N 3.25Å; L245-R248 VanDerWaalsContact O-N 3.11Å; R248-K250 PolarHBondContact O-N 3.37Å; R248-K250 VanDerWaalsContact O-N 3.16Å |
| 249 | I | 82.1 | Confident | 77.2 | Confident | 20 Ų | 20 | 97.2 Ų | 97.2 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -67 | 113.8 | 175.4 | -71 | 166.5 | 0 | 0 | 0 | 109.2 | E86 R88 L91 L245 | E86-I249 HydrophobicContact CB-CD1 4.4Å; E86-I249 WeakPolarHBondContact O-CG2 3.42Å; R88-I249 HydrophobicContact CG-CG2 4.24Å; R88-I249 VanDerWaalsContact CZ-O 3.24Å; R88-I249 PolarHBondContact NE-O 3.42Å; R88-I249 PolarHBondContact NH2-O 3.14Å; L91-I249 HydrophobicContact CD1-CD1 3.35Å; L245-I249 HydrophobicContact CD1-CD1 4.09Å; L245-I249 HydrophobicContact CD1-CG1 4.23Å; L245-I249 HydrophobicContact CG-CD1 3.89Å; L245-I249 HydrophobicContact CG-CG1 4.46Å; L245-I249 WeakPolarHBondContact O-CG1 3.43Å; L245-I249 PolarHBondContact O-N 2.89Å |
| 250 | K | 68 | Low | 76.1 | Confident | 185 Ų | 185 | 102.3 Ų | 102.3 | 80% | 0.804 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 136.4 | 171.7 | -66.4 | 176.3 | -177.5 | 170.3 | 0 | 108.1 | R248 D252 | R248-K250 PolarHBondContact O-N 3.37Å; R248-K250 VanDerWaalsContact O-N 3.16Å; K250-D252 PolarHBondContact O-N 3.19Å |
| 251 | M | 54.8 | Low | 74.9 | Confident | 132 Ų | 132 | 104.1 Ų | 104.1 | 65% | 0.65 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 121.5 | 171.2 | -67.9 | -124.6 | -68.6 | 0 | 0 | 107.1 | R88 P253 | R88-M251 VanDerWaalsContact CZ-CG 3.45Å; R88-M251 VanDerWaalsContact NH1-CG 3.35Å; M251-P253 VanDerWaalsContact O-CD 3.27Å; M251-P253 WeakPolarHBondContact O-CD 3.15Å |
| 252 | D | 50.1 | Low | 73.7 | Confident | 145 Ų | 145 | 106.5 Ų | 106.5 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 117.5 | 161.9 | -75 | -35.3 | 0 | 0 | 0 | 107 | K250 Y254 | K250-D252 PolarHBondContact O-N 3.19Å; D252-Y254 PolarHBondContact O-N 2.9Å |
| 253 | P | 45.1 | Very low | 72.2 | Confident | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 54% | 0.54 | S | S | * | . | trans | -72.1 | 101.9 | 176.4 | 28.7 | -28 | 0 | 0 | 0 | 106.7 | M251 | M251-P253 VanDerWaalsContact O-CD 3.27Å; M251-P253 WeakPolarHBondContact O-CD 3.15Å | ||
| 254 | Y | 42.5 | Very low | 70.6 | Confident | 300 Ų | 300 | 121.2 Ų | 121.2 | 100% | 1.176 | 56% | 0.558 | S | S | * | * | trans | -94.3 | 0 | 164.2 | -126.1 | -77.8 | 0 | 0 | 0 | 109.6 | D252 | D252-Y254 PolarHBondContact O-N 2.9Š|
Retrieved 254 of 254 residues in 217.8 ms
(Link to these results)