| 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 | 33 | Very low | 46.3 | Very low | 213 Ų | 213 | 93.5 Ų | 93.5 | 100% | 1.049 | 46% | 0.461 | S | S | * | . | 0 | 112.3 | 0 | -73.3 | 169.6 | 74.6 | 0 | 0 | 107.6 | |||||
| 2 | V | 32.3 | Very low | 47.3 | Very low | 118 Ų | 118 | 87.3 Ų | 87.3 | 72% | 0.715 | 43% | 0.431 | S | S | * | . | trans | -116 | 93.3 | 151.2 | -173.6 | 0 | 0 | 0 | 0 | 103.4 | V4 L133 | V2-V4 PolarHBondContact O-N 3.48Å; V2-L133 WeakPolarHBondContact O-CD2 3.46Å | ||
| 3 | D | 37.8 | Very low | 49.1 | Very low | 115 Ų | 115 | 83.4 Ų | 83.4 | 62% | 0.615 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 133.7 | 165.7 | -85 | -48.7 | 0 | 0 | 0 | 107.1 | P5 | D3-P5 WeakPolarHBondContact O-CD 3.19Š|
| 4 | V | 42 | Very low | 50.9 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 116.2 | 158.2 | 175 | 0 | 0 | 0 | 0 | 104.5 | V2 Y6 V8 K9 L129 L133 | V2-V4 PolarHBondContact O-N 3.48Å; V4-Y6 PolarHBondContact O-N 2.99Å; V4-V8 HydrophobicContact CG1-CB 4.35Å; V4-K9 HydrophobicContact CB-CD 4.07Å; V4-K9 HydrophobicContact CB-CG 4.42Å; V4-K9 HydrophobicContact CG1-CD 3.91Å; V4-K9 HydrophobicContact CG1-CG 3.7Å; V4-L129 HydrophobicContact CG1-CD1 3.74Å; V4-L129 HydrophobicContact CG2-CB 4.02Å; V4-L129 HydrophobicContact CG2-CD1 4.25Å; V4-L133 HydrophobicContact CG2-CD1 3.64Å |
| 5 | P | 47.1 | Very low | 52.2 | Low | 46 Ų | 46 | 83.4 Ų | 83.4 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -58 | 126.3 | -166.6 | -24.2 | 31 | 0 | 0 | 0 | 107.4 | D3 W7 V8 | D3-P5 WeakPolarHBondContact O-CD 3.19Å; P5-W7 HydrophobicContact CB-CD2 3.93Å; P5-W7 HydrophobicContact CB-CG 3.89Å; P5-W7 HydrophobicContact CB-CZ2 3.91Å; P5-W7 HydrophobicContact CG-CZ2 3.95Å; P5-W7 PolarHBondContact O-N 3.28Å; P5-V8 HydrophobicContact CB-CG2 4.28Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 PolarHBondContact O-N 2.93Å |
| 6 | Y | 51.6 | Low | 53.7 | Low | 138 Ų | 138 | 78.4 Ų | 78.4 | 54% | 0.541 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -46.9 | -32.4 | -175.7 | 165.6 | -102.7 | 0 | 0 | 0 | 111.4 | V4 K9 K10 Y173 | V4-Y6 PolarHBondContact O-N 2.99Å; Y6-K9 PolarHBondContact O-N 3.33Å; Y6-K10 HydrophobicContact CD1-CD 4.35Å; Y6-K10 HydrophobicContact CE1-CB 4.44Å; Y6-K10 HydrophobicContact CE1-CD 3.52Å; Y6-K10 WeakPolarHBondContact O-CB 3.34Å; Y6-K10 PolarHBondContact O-N 3.47Å; Y6-K10 PolarHBondContact OH-NZ 3.4Å; Y6-Y173 WeakPolarHBondContact CD2-OH 3.29Å |
| 7 | W | 42.4 | Very low | 55.1 | Low | 179 Ų | 179 | 81.9 Ų | 81.9 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.9 | -35.5 | 175.3 | 61.3 | -101.3 | 0 | 0 | 0 | 115.3 | P5 S11 | P5-W7 HydrophobicContact CB-CD2 3.93Å; P5-W7 HydrophobicContact CB-CG 3.89Å; P5-W7 HydrophobicContact CB-CZ2 3.91Å; P5-W7 HydrophobicContact CG-CZ2 3.95Å; P5-W7 PolarHBondContact O-N 3.28Å; W7-S11 WeakPolarHBondContact O-CB 3.49Å; W7-S11 PolarHBondContact O-N 3.1Å; W7-S11 PolarHBondContact O-OG 2.65Å |
| 8 | V | 49.9 | Very low | 56.3 | Low | 33 Ų | 33 | 82.6 Ų | 82.6 | 20% | 0.2 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.7 | -50 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | V4 P5 K10 S11 I12 | V4-V8 HydrophobicContact CG1-CB 4.35Å; P5-V8 HydrophobicContact CB-CG2 4.28Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 PolarHBondContact O-N 2.93Å; V8-K10 VanDerWaalsContact C-N 3.29Å; V8-K10 PolarHBondContact O-N 2.82Å; V8-S11 PolarHBondContact O-N 3.31Å; V8-S11 PolarHBondContact O-OG 2.73Å; V8-I12 HydrophobicContact CG1-CD1 4.21Å; V8-I12 WeakPolarHBondContact O-CD1 3.46Å; V8-I12 WeakPolarHBondContact O-CG1 3.4Å; V8-I12 PolarHBondContact O-N 3.1Å |
| 9 | K | 53.5 | Low | 57.5 | Low | 34 Ų | 34 | 79.2 Ų | 79.2 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 178 | -78.3 | 172.6 | 173.6 | 173.7 | 0 | 111.4 | V4 Y6 S13 Y173 | V4-K9 HydrophobicContact CB-CD 4.07Å; V4-K9 HydrophobicContact CB-CG 4.42Å; V4-K9 HydrophobicContact CG1-CD 3.91Å; V4-K9 HydrophobicContact CG1-CG 3.7Å; Y6-K9 PolarHBondContact O-N 3.33Å; K9-S13 WeakPolarHBondContact O-CB 3.17Å; K9-S13 PolarHBondContact O-N 2.88Å; K9-Y173 HydrophobicContact CB-CE1 4.49Å; K9-Y173 HydrophobicContact CD-CD1 4.26Å; K9-Y173 HydrophobicContact CD-CD2 4.42Å; K9-Y173 HydrophobicContact CD-CE1 3.96Å; K9-Y173 HydrophobicContact CD-CE2 4.15Å; K9-Y173 HydrophobicContact CD-CG 4.46Å |
| 10 | K | 61 | Low | 58.5 | Low | 85 Ų | 85 | 77.2 Ų | 77.2 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 179.8 | -175.1 | 177.9 | -171 | 166.6 | 0 | 111.7 | Y6 V8 I12 S13 D14 | Y6-K10 HydrophobicContact CD1-CD 4.35Å; Y6-K10 HydrophobicContact CE1-CB 4.44Å; Y6-K10 HydrophobicContact CE1-CD 3.52Å; Y6-K10 WeakPolarHBondContact O-CB 3.34Å; Y6-K10 PolarHBondContact O-N 3.47Å; Y6-K10 PolarHBondContact OH-NZ 3.4Å; V8-K10 VanDerWaalsContact C-N 3.29Å; V8-K10 PolarHBondContact O-N 2.82Å; K10-I12 VanDerWaalsContact C-N 3.3Å; K10-I12 PolarHBondContact O-N 2.65Å; K10-S13 CarbonylContact O-C 3.49Å; K10-S13 PolarHBondContact O-N 3.4Å; K10-S13 VanDerWaalsContact O-N 3.1Å; K10-D14 WeakPolarHBondContact CG-OD2 3.31Å; K10-D14 WeakPolarHBondContact O-CB 3.26Å; K10-D14 PolarHBondContact O-N 2.88Å |
| 11 | S | 58.3 | Low | 59.7 | Low | 54 Ų | 54 | 77.4 Ų | 77.4 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.6 | -44.6 | -176.9 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | W7 V8 D14 E15 | W7-S11 WeakPolarHBondContact O-CB 3.49Å; W7-S11 PolarHBondContact O-N 3.1Å; W7-S11 PolarHBondContact O-OG 2.65Å; V8-S11 PolarHBondContact O-N 3.31Å; V8-S11 PolarHBondContact O-OG 2.73Å; S11-D14 PolarHBondContact O-N 3.33Å; S11-E15 WeakPolarHBondContact O-CG 3.46Å; S11-E15 PolarHBondContact O-N 2.92Å |
| 12 | I | 58.2 | Low | 62 | Low | 20 Ų | 20 | 72.7 Ų | 72.7 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.5 | -36 | -179.6 | -51 | 152.6 | 0 | 0 | 0 | 111 | V8 K10 E15 V16 K122 E125 | V8-I12 HydrophobicContact CG1-CD1 4.21Å; V8-I12 WeakPolarHBondContact O-CD1 3.46Å; V8-I12 WeakPolarHBondContact O-CG1 3.4Å; V8-I12 PolarHBondContact O-N 3.1Å; K10-I12 VanDerWaalsContact C-N 3.3Å; K10-I12 PolarHBondContact O-N 2.65Å; I12-E15 PolarHBondContact O-N 2.76Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 2.78Å; I12-V16 VanDerWaalsContact O-N 3.09Å; I12-K122 HydrophobicContact CB-CG 4.22Å; I12-K122 HydrophobicContact CG2-CB 3.35Å; I12-K122 HydrophobicContact CG2-CD 3.93Å; I12-K122 HydrophobicContact CG2-CG 3.48Å; I12-K122 VanDerWaalsContact CG2-CG 3.48Å; I12-E125 HydrophobicContact CD1-CB 4.48Å; I12-E125 WeakPolarHBondContact CD1-OE2 3.34Å |
| 13 | S | 70.9 | Confident | 64.2 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 174 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | K9 K10 E15 V16 Y17 | K9-S13 WeakPolarHBondContact O-CB 3.17Å; K9-S13 PolarHBondContact O-N 2.88Å; K10-S13 CarbonylContact O-C 3.49Å; K10-S13 PolarHBondContact O-N 3.4Å; K10-S13 VanDerWaalsContact O-N 3.1Å; S13-E15 VanDerWaalsContact C-N 3.35Å; S13-V16 PolarHBondContact O-N 3Å; S13-Y17 VanDerWaalsContact O-CB 3.31Å; S13-Y17 WeakPolarHBondContact O-CB 3.29Å; S13-Y17 PolarHBondContact O-N 3.29Å |
| 14 | D | 74 | Confident | 66.2 | Low | 75 Ų | 75 | 67.2 Ų | 67.2 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 176.7 | -70 | -9.7 | 0 | 0 | 0 | 110.3 | K10 S11 Y17 E18 | K10-D14 WeakPolarHBondContact CG-OD2 3.31Å; K10-D14 WeakPolarHBondContact O-CB 3.26Å; K10-D14 PolarHBondContact O-N 2.88Å; S11-D14 PolarHBondContact O-N 3.33Å; D14-Y17 WeakPolarHBondContact O-CB 3.19Å; D14-Y17 PolarHBondContact O-N 3.42Å; D14-E18 WeakPolarHBondContact O-CB 3.21Å; D14-E18 WeakPolarHBondContact O-CG 3.34Å; D14-E18 PolarHBondContact O-N 3.4Å |
| 15 | E | 71.5 | Confident | 68.1 | Low | 92 Ų | 92 | 74.4 Ų | 74.4 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.7 | -82.7 | -167.4 | -155.6 | 0 | 0 | 113.5 | S11 I12 S13 Y17 T19 R118 | S11-E15 WeakPolarHBondContact O-CG 3.46Å; S11-E15 PolarHBondContact O-N 2.92Å; I12-E15 PolarHBondContact O-N 2.76Å; S13-E15 VanDerWaalsContact C-N 3.35Å; E15-Y17 VanDerWaalsContact C-N 3.29Å; E15-T19 WeakPolarHBondContact O-CB 3.35Å; E15-T19 PolarHBondContact O-N 2.96Å; E15-T19 PolarHBondContact O-OG1 3.3Å; E15-R118 IonicContact OE2-CZ 2.58Å; E15-R118 IonicContact OE2-NH1 3.47Å; E15-R118 PolarHBondContact OE2-NH1 3.2Å |
| 16 | V | 75.2 | Confident | 69.6 | Low | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 109.9 | I12 S13 K20 L115 R118 I119 K122 | I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 2.78Å; I12-V16 VanDerWaalsContact O-N 3.09Å; S13-V16 PolarHBondContact O-N 3Å; V16-K20 HydrophobicContact CG1-CD 4.23Å; V16-K20 WeakPolarHBondContact O-CB 3.04Å; V16-K20 WeakPolarHBondContact O-CG 3.47Å; V16-K20 PolarHBondContact O-N 3.22Å; V16-L115 HydrophobicContact CG1-CD1 4.13Å; V16-R118 HydrophobicContact CG2-CB 4.44Å; V16-I119 HydrophobicContact CG1-CG1 4.26Å; V16-I119 HydrophobicContact CG2-CG1 4.25Å; V16-K122 HydrophobicContact CG2-CD 4.25Å |
| 17 | Y | 77.8 | Confident | 70.9 | Confident | 138 Ų | 138 | 70.4 Ų | 70.4 | 54% | 0.541 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 178.2 | 177.2 | -99.1 | 0 | 0 | 0 | 112.5 | S13 D14 E15 T19 K20 K21 | S13-Y17 VanDerWaalsContact O-CB 3.31Å; S13-Y17 WeakPolarHBondContact O-CB 3.29Å; S13-Y17 PolarHBondContact O-N 3.29Å; D14-Y17 WeakPolarHBondContact O-CB 3.19Å; D14-Y17 PolarHBondContact O-N 3.42Å; E15-Y17 VanDerWaalsContact C-N 3.29Å; Y17-T19 PolarHBondContact O-N 3.41Å; Y17-K20 WeakPolarHBondContact O-CB 3.18Å; Y17-K20 PolarHBondContact O-N 2.97Å; Y17-K21 HydrophobicContact CE1-CD 4.34Å; Y17-K21 WeakPolarHBondContact O-CB 3.46Å; Y17-K21 PolarHBondContact O-N 2.93Å |
| 18 | E | 77.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 179.1 | -73 | -57.7 | 134.9 | 0 | 0 | 111.5 | D14 K21 F22 | D14-E18 WeakPolarHBondContact O-CB 3.21Å; D14-E18 WeakPolarHBondContact O-CG 3.34Å; D14-E18 PolarHBondContact O-N 3.4Å; E18-K21 PolarHBondContact O-N 2.87Å; E18-K21 IonicContact OE1-NZ 3.25Å; E18-K21 PolarHBondContact OE1-NZ 3.21Å; E18-K21 IonicContact OE2-NZ 3.39Å; E18-K21 PolarHBondContact OE2-NZ 3.27Å; E18-F22 WeakPolarHBondContact O-CB 3.47Å; E18-F22 PolarHBondContact O-N 3.14Å |
| 19 | T | 77.4 | Confident | 74 | Confident | 17 Ų | 17 | 72 Ų | 72 | 10% | 0.104 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | E15 Y17 K21 F22 I23 L115 | E15-T19 WeakPolarHBondContact O-CB 3.35Å; E15-T19 PolarHBondContact O-N 2.96Å; E15-T19 PolarHBondContact O-OG1 3.3Å; Y17-T19 PolarHBondContact O-N 3.41Å; T19-K21 VanDerWaalsContact C-N 3.33Å; T19-K21 PolarHBondContact O-N 3.43Å; T19-F22 PolarHBondContact O-N 2.89Å; T19-I23 HydrophobicContact CG2-CD1 4.01Å; T19-I23 VanDerWaalsContact O-CG1 3.32Å; T19-I23 WeakPolarHBondContact O-CG1 3.31Å; T19-I23 PolarHBondContact O-N 2.85Å; T19-L115 HydrophobicContact CG2-CB 3.94Å; T19-L115 HydrophobicContact CG2-CD1 3.89Å; T19-L115 HydrophobicContact CG2-CG 4.36Å |
| 20 | K | 79.3 | Confident | 75.3 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 172.7 | -83.6 | 174.7 | 177 | 175.3 | 0 | 111.3 | V16 Y17 I23 K24 W31 V38 E42 L115 | V16-K20 HydrophobicContact CG1-CD 4.23Å; V16-K20 WeakPolarHBondContact O-CB 3.04Å; V16-K20 WeakPolarHBondContact O-CG 3.47Å; V16-K20 PolarHBondContact O-N 3.22Å; Y17-K20 WeakPolarHBondContact O-CB 3.18Å; Y17-K20 PolarHBondContact O-N 2.97Å; K20-I23 PolarHBondContact O-N 3.42Å; K20-K24 WeakPolarHBondContact O-CB 3.36Å; K20-K24 PolarHBondContact O-N 3.31Å; K20-W31 HydrophobicContact CB-CH2 3.99Å; K20-W31 HydrophobicContact CG-CH2 4.37Å; K20-W31 VanDerWaalsContact O-CH2 3.28Å; K20-W31 WeakPolarHBondContact O-CH2 3.47Å; K20-W31 WeakPolarHBondContact O-CZ3 3.29Å; K20-V38 HydrophobicContact CD-CG1 4.45Å; K20-E42 IonicContact NZ-OE1 3.74Å; K20-E42 PolarHBondContact NZ-OE1 2.99Å; K20-E42 IonicContact NZ-OE2 3.22Å; K20-E42 PolarHBondContact NZ-OE2 3.47Å; K20-L115 HydrophobicContact CG-CD2 4.19Å |
| 21 | K | 82.6 | Confident | 76.4 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | -179.7 | -174.3 | -176.2 | 176 | -168.9 | 0 | 112.2 | Y17 E18 T19 K24 K25 | Y17-K21 HydrophobicContact CE1-CD 4.34Å; Y17-K21 WeakPolarHBondContact O-CB 3.46Å; Y17-K21 PolarHBondContact O-N 2.93Å; E18-K21 PolarHBondContact O-N 2.87Å; E18-K21 IonicContact OE1-NZ 3.25Å; E18-K21 PolarHBondContact OE1-NZ 3.21Å; E18-K21 IonicContact OE2-NZ 3.39Å; E18-K21 PolarHBondContact OE2-NZ 3.27Å; T19-K21 VanDerWaalsContact C-N 3.33Å; T19-K21 PolarHBondContact O-N 3.43Å; K21-K24 PolarHBondContact O-N 3.46Å; K21-K25 WeakPolarHBondContact O-CG 2.96Å; K21-K25 PolarHBondContact O-N 3.39Å |
| 22 | F | 81.3 | Confident | 77.8 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 174.2 | 177.8 | -99.7 | 0 | 0 | 0 | 111.2 | E18 T19 K24 K25 T26 | E18-F22 WeakPolarHBondContact O-CB 3.47Å; E18-F22 PolarHBondContact O-N 3.14Å; T19-F22 PolarHBondContact O-N 2.89Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.92Å; F22-K25 WeakPolarHBondContact O-CB 3.03Å; F22-K25 PolarHBondContact O-N 3.3Å; F22-T26 HydrophobicContact CD1-CG2 4.46Å; F22-T26 HydrophobicContact CD2-CG2 4.42Å; F22-T26 HydrophobicContact CE1-CG2 4.01Å; F22-T26 HydrophobicContact CE2-CG2 3.97Å; F22-T26 HydrophobicContact CZ-CG2 3.75Å; F22-T26 PolarHBondContact O-N 2.61Å; F22-T26 PolarHBondContact O-OG1 3.12Å |
| 23 | I | 78 | Confident | 79.2 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 179.8 | -64.7 | 168.4 | 0 | 0 | 0 | 111.8 | T19 K20 K25 T26 S27 W31 I34 D111 L115 | T19-I23 HydrophobicContact CG2-CD1 4.01Å; T19-I23 VanDerWaalsContact O-CG1 3.32Å; T19-I23 WeakPolarHBondContact O-CG1 3.31Å; T19-I23 PolarHBondContact O-N 2.85Å; K20-I23 PolarHBondContact O-N 3.42Å; I23-K25 VanDerWaalsContact C-N 3.25Å; I23-K25 PolarHBondContact O-N 2.96Å; I23-T26 PolarHBondContact O-N 3.29Å; I23-T26 PolarHBondContact O-OG1 3.41Å; I23-S27 WeakPolarHBondContact O-CA 3.49Å; I23-S27 WeakPolarHBondContact O-CB 3.33Å; I23-S27 PolarHBondContact O-N 3.38Å; I23-W31 HydrophobicContact CB-CZ3 4.33Å; I23-W31 HydrophobicContact CG2-CE3 4.32Å; I23-W31 HydrophobicContact CG2-CZ3 4.3Å; I23-I34 HydrophobicContact CG2-CD1 3.43Å; I23-I34 VanDerWaalsContact CG2-CD1 3.43Å; I23-I34 HydrophobicContact CG2-CG2 3.93Å; I23-D111 HydrophobicContact CD1-CB 3.83Å; I23-D111 HydrophobicContact CG1-CB 3.73Å; I23-L115 HydrophobicContact CD1-CB 4.26Å; I23-L115 HydrophobicContact CD1-CD2 3.84Å |
| 24 | K | 80.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 174.4 | -173.9 | 177.9 | 178.8 | -173.3 | 0 | 111.8 | K20 K21 F22 A28 W31 | K20-K24 WeakPolarHBondContact O-CB 3.36Å; K20-K24 PolarHBondContact O-N 3.31Å; K21-K24 PolarHBondContact O-N 3.46Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.92Å; K24-A28 WeakPolarHBondContact O-CA 3.07Å; K24-A28 PolarHBondContact O-N 3.28Å; K24-W31 VanDerWaalsContact CA-CE3 3.44Å; K24-W31 HydrophobicContact CB-CD2 3.7Å; K24-W31 HydrophobicContact CB-CE3 3.59Å; K24-W31 HydrophobicContact CB-CG 4.39Å; K24-W31 HydrophobicContact CB-CH2 3.98Å; K24-W31 HydrophobicContact CB-CZ2 4.07Å; K24-W31 HydrophobicContact CB-CZ3 3.74Å; K24-W31 HydrophobicContact CD-CD2 4.29Å; K24-W31 HydrophobicContact CD-CZ2 4.06Å; K24-W31 HydrophobicContact CG-CD2 3.68Å; K24-W31 HydrophobicContact CG-CE3 4.13Å; K24-W31 HydrophobicContact CG-CG 3.93Å; K24-W31 HydrophobicContact CG-CZ2 4.24Å |
| 25 | K | 82.1 | Confident | 80.4 | Confident | 163 Ų | 163 | 76.3 Ų | 76.3 | 71% | 0.709 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72.1 | -42.2 | 178.6 | -71.7 | 178.9 | 175.7 | -173.3 | 0 | 112.2 | K21 F22 I23 | K21-K25 WeakPolarHBondContact O-CG 2.96Å; K21-K25 PolarHBondContact O-N 3.39Å; F22-K25 WeakPolarHBondContact O-CB 3.03Å; F22-K25 PolarHBondContact O-N 3.3Å; I23-K25 VanDerWaalsContact C-N 3.25Å; I23-K25 PolarHBondContact O-N 2.96Å |
| 26 | T | 79.2 | Confident | 81.4 | Confident | 77 Ų | 77 | 76 Ų | 76 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -84.1 | -26.3 | -175.2 | 56 | 0 | 0 | 0 | 0 | 113.8 | F22 I23 | F22-T26 HydrophobicContact CD1-CG2 4.46Å; F22-T26 HydrophobicContact CD2-CG2 4.42Å; F22-T26 HydrophobicContact CE1-CG2 4.01Å; F22-T26 HydrophobicContact CE2-CG2 3.97Å; F22-T26 HydrophobicContact CZ-CG2 3.75Å; F22-T26 PolarHBondContact O-N 2.61Å; F22-T26 PolarHBondContact O-OG1 3.12Å; I23-T26 PolarHBondContact O-N 3.29Å; I23-T26 PolarHBondContact O-OG1 3.41Å |
| 27 | S | 79 | Confident | 82.2 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 16% | 0.161 | 37% | 0.366 | C | S | . | . | trans | -130.9 | 43.1 | -172.3 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | I23 I29 K30 W31 H109 | I23-S27 WeakPolarHBondContact O-CA 3.49Å; I23-S27 WeakPolarHBondContact O-CB 3.33Å; I23-S27 PolarHBondContact O-N 3.38Å; S27-I29 PolarHBondContact O-N 3.32Å; S27-I29 VanDerWaalsContact O-N 3.13Å; S27-K30 CarbonylContact O-C 3.58Å; S27-K30 PolarHBondContact O-N 2.93Å; S27-W31 PolarHBondContact O-N 2.74Å; S27-H109 PolarHBondContact OG-NE2 3.36Å | ||
| 28 | A | 76.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -50.9 | -40.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K24 K30 W31 | K24-A28 WeakPolarHBondContact O-CA 3.07Å; K24-A28 PolarHBondContact O-N 3.28Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.3Å; A28-W31 VanDerWaalsContact O-CB 3.29Å; A28-W31 WeakPolarHBondContact O-CB 3.3Å; A28-W31 PolarHBondContact O-N 3.38Å |
| 29 | I | 80.5 | Confident | 83.3 | Confident | 173 Ų | 173 | 70.6 Ų | 70.6 | 89% | 0.887 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -62.1 | -39.7 | 178 | -59.9 | 172.9 | 0 | 0 | 0 | 111.5 | S27 | S27-I29 PolarHBondContact O-N 3.32Å; S27-I29 VanDerWaalsContact O-N 3.13Å |
| 30 | K | 80.9 | Confident | 84 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -91.9 | -4.4 | -178.6 | -64.8 | -179.9 | 178.5 | 178.4 | 0 | 113 | S27 A28 K32 S33 I34 P106 | S27-K30 CarbonylContact O-C 3.58Å; S27-K30 PolarHBondContact O-N 2.93Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.3Å; K30-K32 VanDerWaalsContact C-N 3.27Å; K30-K32 PolarHBondContact O-N 2.93Å; K30-K32 VanDerWaalsContact O-N 3.15Å; K30-S33 PolarHBondContact O-N 2.95Å; K30-S33 VanDerWaalsContact O-N 3.08Å; K30-I34 HydrophobicContact CB-CD1 4.13Å; K30-I34 HydrophobicContact CB-CG1 4.44Å; K30-I34 WeakPolarHBondContact O-CG1 3.32Å; K30-I34 PolarHBondContact O-N 3.46Å; K30-I34 VanDerWaalsContact O-N 3.1Å; K30-P106 HydrophobicContact CD-CB 4.02Å |
| 31 | W | 83.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 20% | 0.197 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.6 | -39.2 | -171.2 | 176.5 | -114.7 | 0 | 0 | 0 | 113.4 | K20 I23 K24 S27 A28 S33 I34 N35 | K20-W31 HydrophobicContact CB-CH2 3.99Å; K20-W31 HydrophobicContact CG-CH2 4.37Å; K20-W31 VanDerWaalsContact O-CH2 3.28Å; K20-W31 WeakPolarHBondContact O-CH2 3.47Å; K20-W31 WeakPolarHBondContact O-CZ3 3.29Å; I23-W31 HydrophobicContact CB-CZ3 4.33Å; I23-W31 HydrophobicContact CG2-CE3 4.32Å; I23-W31 HydrophobicContact CG2-CZ3 4.3Å; K24-W31 VanDerWaalsContact CA-CE3 3.44Å; K24-W31 HydrophobicContact CB-CD2 3.7Å; K24-W31 HydrophobicContact CB-CE3 3.59Å; K24-W31 HydrophobicContact CB-CG 4.39Å; K24-W31 HydrophobicContact CB-CH2 3.98Å; K24-W31 HydrophobicContact CB-CZ2 4.07Å; K24-W31 HydrophobicContact CB-CZ3 3.74Å; K24-W31 HydrophobicContact CD-CD2 4.29Å; K24-W31 HydrophobicContact CD-CZ2 4.06Å; K24-W31 HydrophobicContact CG-CD2 3.68Å; K24-W31 HydrophobicContact CG-CE3 4.13Å; K24-W31 HydrophobicContact CG-CG 3.93Å; K24-W31 HydrophobicContact CG-CZ2 4.24Å; S27-W31 PolarHBondContact O-N 2.74Å; A28-W31 VanDerWaalsContact O-CB 3.29Å; A28-W31 WeakPolarHBondContact O-CB 3.3Å; A28-W31 PolarHBondContact O-N 3.38Å; W31-S33 PolarHBondContact O-N 3.48Å; W31-I34 HydrophobicContact CE3-CG2 4.46Å; W31-I34 HydrophobicContact CZ3-CG2 4.37Å; W31-I34 PolarHBondContact O-N 3.3Å; W31-N35 HydrophobicContact CZ2-CB 4.34Å; W31-N35 VanDerWaalsContact O-CB 3.23Å; W31-N35 WeakPolarHBondContact O-CB 3.35Å; W31-N35 PolarHBondContact O-N 3.12Å |
| 32 | K | 87.6 | Confident | 85 | Confident | 157 Ų | 157 | 66.4 Ų | 66.4 | 68% | 0.683 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.8 | -48.4 | 178.5 | -174.3 | 179 | 179.1 | -178.6 | 0 | 112 | K30 N35 Q36 | K30-K32 VanDerWaalsContact C-N 3.27Å; K30-K32 PolarHBondContact O-N 2.93Å; K30-K32 VanDerWaalsContact O-N 3.15Å; K32-N35 PolarHBondContact O-N 2.94Å; K32-Q36 WeakPolarHBondContact O-CG 3.4Å; K32-Q36 PolarHBondContact O-N 3.29Å |
| 33 | S | 87.3 | Confident | 85.4 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 178.6 | -161.3 | 0 | 0 | 0 | 0 | 111 | K30 W31 N35 Q36 Y37 Y104 | K30-S33 PolarHBondContact O-N 2.95Å; K30-S33 VanDerWaalsContact O-N 3.08Å; W31-S33 PolarHBondContact O-N 3.48Å; S33-N35 PolarHBondContact O-N 2.85Å; S33-Q36 PolarHBondContact O-N 3.48Å; S33-Y37 PolarHBondContact O-N 3.48Å; S33-Y104 CarbonylContact C-O 3.4Å; S33-Y104 VanDerWaalsContact O-O 3.09Å; S33-Y104 PolarHBondContact OG-O 3.01Å |
| 34 | I | 85 | Confident | 86.1 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.8 | -61.9 | 178.4 | 0 | 0 | 0 | 110.7 | I23 K30 W31 Q36 Y37 V38 P106 I112 | I23-I34 HydrophobicContact CG2-CD1 3.43Å; I23-I34 VanDerWaalsContact CG2-CD1 3.43Å; I23-I34 HydrophobicContact CG2-CG2 3.93Å; K30-I34 HydrophobicContact CB-CD1 4.13Å; K30-I34 HydrophobicContact CB-CG1 4.44Å; K30-I34 WeakPolarHBondContact O-CG1 3.32Å; K30-I34 PolarHBondContact O-N 3.46Å; K30-I34 VanDerWaalsContact O-N 3.1Å; W31-I34 HydrophobicContact CE3-CG2 4.46Å; W31-I34 HydrophobicContact CZ3-CG2 4.37Å; W31-I34 PolarHBondContact O-N 3.3Å; I34-Q36 VanDerWaalsContact C-N 3.33Å; I34-Q36 PolarHBondContact O-N 3.42Å; I34-Y37 WeakPolarHBondContact O-CB 3.37Å; I34-Y37 PolarHBondContact O-N 3.45Å; I34-V38 HydrophobicContact CG2-CG2 4.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.49Å; I34-P106 HydrophobicContact CD1-CG 4.2Å; I34-P106 HydrophobicContact CG1-CG 3.66Å; I34-I112 HydrophobicContact CD1-CD1 3.89Å; I34-I112 HydrophobicContact CD1-CG1 4.35Å; I34-I112 HydrophobicContact CG1-CD1 3.68Å; I34-I112 HydrophobicContact CG1-CG1 4.43Å; I34-I112 HydrophobicContact CG2-CD1 4.42Å; I34-I112 HydrophobicContact CG2-CG1 4.42Å |
| 35 | N | 86.7 | Confident | 86.6 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 178.7 | -172 | 45.5 | 0 | 0 | 0 | 111.8 | W31 K32 S33 K39 | W31-N35 HydrophobicContact CZ2-CB 4.34Å; W31-N35 VanDerWaalsContact O-CB 3.23Å; W31-N35 WeakPolarHBondContact O-CB 3.35Å; W31-N35 PolarHBondContact O-N 3.12Å; K32-N35 PolarHBondContact O-N 2.94Å; S33-N35 PolarHBondContact O-N 2.85Å; N35-K39 WeakPolarHBondContact O-CB 3.32Å; N35-K39 VanDerWaalsContact O-CG 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.47Å; N35-K39 PolarHBondContact O-N 2.93Å |
| 36 | Q | 91.6 | Very high | 86.8 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 173.1 | -74.5 | 174.6 | -37.5 | 0 | 0 | 111.9 | K32 S33 I34 V38 C40 Y104 | K32-Q36 WeakPolarHBondContact O-CG 3.4Å; K32-Q36 PolarHBondContact O-N 3.29Å; S33-Q36 PolarHBondContact O-N 3.48Å; I34-Q36 VanDerWaalsContact C-N 3.33Å; I34-Q36 PolarHBondContact O-N 3.42Å; Q36-V38 PolarHBondContact O-N 3.22Å; Q36-C40 WeakPolarHBondContact O-CB 3.24Å; Q36-C40 PolarHBondContact O-N 2.96Å; Q36-Y104 HydrophobicContact CB-CD1 4.02Å; Q36-Y104 HydrophobicContact CB-CD2 4.42Å; Q36-Y104 HydrophobicContact CB-CG 3.91Å |
| 37 | Y | 91.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.8 | -51.4 | 174.4 | 174.3 | -103.6 | 0 | 0 | 0 | 111.5 | S33 I34 C40 I41 C101 M102 R105 I112 H116 | S33-Y37 PolarHBondContact O-N 3.48Å; I34-Y37 WeakPolarHBondContact O-CB 3.37Å; I34-Y37 PolarHBondContact O-N 3.45Å; Y37-C40 WeakPolarHBondContact O-CB 3.45Å; Y37-C40 PolarHBondContact O-N 3.28Å; Y37-I41 HydrophobicContact CD1-CG1 4.49Å; Y37-I41 HydrophobicContact CD2-CG1 4.2Å; Y37-I41 HydrophobicContact CE1-CG1 4.08Å; Y37-I41 HydrophobicContact CE2-CD1 4.25Å; Y37-I41 HydrophobicContact CE2-CG1 3.75Å; Y37-I41 WeakPolarHBondContact O-CG1 3.41Å; Y37-I41 PolarHBondContact O-N 3.01Å; Y37-C101 VanDerWaalsContact CD2-O 3.27Å; Y37-C101 WeakPolarHBondContact CD2-O 3.39Å; Y37-M102 HydrophobicContact CE2-SD 3.96Å; Y37-R105 HydrophobicContact CD2-CB 3.69Å; Y37-R105 HydrophobicContact CD2-CG 4.38Å; Y37-R105 HydrophobicContact CE2-CB 3.79Å; Y37-R105 HydrophobicContact CE2-CG 4.2Å; Y37-R105 HydrophobicContact CG-CB 4.33Å; Y37-I112 HydrophobicContact CD1-CG2 3.69Å; Y37-I112 HydrophobicContact CE1-CG2 3.37Å; Y37-H116 AromaticContact CZ-ND1 3.78Å; Y37-H116 PolarHBondContact OH-ND1 2.87Å |
| 38 | V | 88.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -47.3 | -176.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | K20 I34 Q36 C40 I41 E42 L115 I119 | K20-V38 HydrophobicContact CD-CG1 4.45Å; I34-V38 HydrophobicContact CG2-CG2 4.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.34Å; I34-V38 PolarHBondContact O-N 3.49Å; Q36-V38 PolarHBondContact O-N 3.22Å; V38-C40 PolarHBondContact O-N 3.49Å; V38-I41 PolarHBondContact O-N 3.14Å; V38-E42 HydrophobicContact CG1-CG 4.1Å; V38-E42 WeakPolarHBondContact O-CB 3.4Å; V38-E42 WeakPolarHBondContact O-CG 3.41Å; V38-E42 PolarHBondContact O-N 3.2Å; V38-L115 HydrophobicContact CG1-CD2 4.44Å; V38-L115 HydrophobicContact CG2-CD2 3.33Å; V38-L115 HydrophobicContact CG2-CG 4.16Å; V38-I119 HydrophobicContact CG1-CD1 3.69Å |
| 39 | K | 90.6 | Very high | 88.2 | Confident | 121 Ų | 121 | 51 Ų | 51 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.7 | -39.3 | 175.7 | -75.5 | -178.3 | 177.1 | -167 | 0 | 112.2 | N35 K43 | N35-K39 WeakPolarHBondContact O-CB 3.32Å; N35-K39 VanDerWaalsContact O-CG 3.3Å; N35-K39 WeakPolarHBondContact O-CG 3.47Å; N35-K39 PolarHBondContact O-N 2.93Å; K39-K43 WeakPolarHBondContact O-CB 3.34Å; K39-K43 WeakPolarHBondContact O-CG 3.15Å; K39-K43 PolarHBondContact O-N 3.41Å; K39-K43 VanDerWaalsContact O-N 3.09Å |
| 40 | C | 93.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -48.3 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | Q36 Y37 V38 K43 Y44 C101 Y104 | Q36-C40 WeakPolarHBondContact O-CB 3.24Å; Q36-C40 PolarHBondContact O-N 2.96Å; Y37-C40 WeakPolarHBondContact O-CB 3.45Å; Y37-C40 PolarHBondContact O-N 3.28Å; V38-C40 PolarHBondContact O-N 3.49Å; C40-K43 PolarHBondContact O-N 3.03Å; C40-Y44 PolarHBondContact O-N 2.82Å; C40-C101 HydrophobicContact CB-CB 3.69Å; C40-C101 WeakPolarHBondContact CB-SG 2.93Å; C40-C101 PolarHBondContact O-SG 3.14Å; C40-C101 WeakPolarHBondContact SG-CA 3.08Å; C40-C101 WeakPolarHBondContact SG-CB 3.49Å; C40-C101 CovalentContact SG-SG 2.05Å; C40-C101 PolarHBondContact SG-SG 3.32Å; C40-Y104 HydrophobicContact CB-CD2 4.19Å; C40-Y104 HydrophobicContact CB-CE2 4.31Å |
| 41 | I | 92.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 179.7 | -70.9 | -63.7 | 0 | 0 | 0 | 111.9 | Y37 V38 Y44 W45 C101 I119 | Y37-I41 HydrophobicContact CD1-CG1 4.49Å; Y37-I41 HydrophobicContact CD2-CG1 4.2Å; Y37-I41 HydrophobicContact CE1-CG1 4.08Å; Y37-I41 HydrophobicContact CE2-CD1 4.25Å; Y37-I41 HydrophobicContact CE2-CG1 3.75Å; Y37-I41 WeakPolarHBondContact O-CG1 3.41Å; Y37-I41 PolarHBondContact O-N 3.01Å; V38-I41 PolarHBondContact O-N 3.14Å; I41-Y44 WeakPolarHBondContact O-CB 3.35Å; I41-Y44 PolarHBondContact O-N 3.42Å; I41-W45 VanDerWaalsContact CG2-CD1 3.48Å; I41-W45 VanDerWaalsContact O-CD1 3.31Å; I41-W45 PolarHBondContact O-N 3.14Å; I41-C101 HydrophobicContact CD1-CB 3.5Å; I41-C101 VanDerWaalsContact CD1-CB 3.5Å; I41-C101 HydrophobicContact CG1-CB 3.81Å; I41-I119 HydrophobicContact CG2-CG2 4.06Å |
| 42 | E | 89.5 | Confident | 89.2 | Confident | 39 Ų | 39 | 39 Ų | 39 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 173 | -75.8 | 177.9 | 146.1 | 0 | 0 | 110.7 | K20 V38 Q46 I119 | K20-E42 IonicContact NZ-OE1 3.74Å; K20-E42 PolarHBondContact NZ-OE1 2.99Å; K20-E42 IonicContact NZ-OE2 3.22Å; K20-E42 PolarHBondContact NZ-OE2 3.47Å; V38-E42 HydrophobicContact CG1-CG 4.1Å; V38-E42 WeakPolarHBondContact O-CB 3.4Å; V38-E42 WeakPolarHBondContact O-CG 3.41Å; V38-E42 PolarHBondContact O-N 3.2Å; E42-Q46 WeakPolarHBondContact O-CB 3.35Å; E42-Q46 PolarHBondContact O-N 3.21Å; E42-I119 HydrophobicContact CG-CD1 4.06Å; E42-I119 HydrophobicContact CG-CG1 4.3Å; E42-I119 HydrophobicContact CG-CG2 3.97Å |
| 43 | K | 89.5 | Confident | 89.2 | Confident | 69 Ų | 69 | 31.5 Ų | 31.5 | 30% | 0.3 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 176.3 | -73.1 | -70.1 | 168.5 | -159.2 | 0 | 112.5 | K39 C40 F47 Y96 | K39-K43 WeakPolarHBondContact O-CB 3.34Å; K39-K43 WeakPolarHBondContact O-CG 3.15Å; K39-K43 PolarHBondContact O-N 3.41Å; K39-K43 VanDerWaalsContact O-N 3.09Å; C40-K43 PolarHBondContact O-N 3.03Å; K43-F47 HydrophobicContact CB-CD2 4.41Å; K43-F47 HydrophobicContact CB-CE2 4.02Å; K43-F47 HydrophobicContact CD-CE2 3.96Å; K43-F47 HydrophobicContact CD-CZ 4.02Å; K43-F47 WeakPolarHBondContact O-CD2 3.43Å; K43-F47 WeakPolarHBondContact O-CG 3.23Å; K43-F47 PolarHBondContact O-N 3.37Å; K43-Y96 HydrophobicContact CB-CD1 3.8Å; K43-Y96 HydrophobicContact CB-CD2 4.15Å; K43-Y96 HydrophobicContact CB-CE1 3.98Å; K43-Y96 HydrophobicContact CB-CE2 4.33Å; K43-Y96 HydrophobicContact CB-CG 3.89Å; K43-Y96 HydrophobicContact CG-CE1 4.25Å |
| 44 | Y | 93.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 11% | 0.106 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.4 | -56.9 | 175 | 173.3 | -108.7 | 0 | 0 | 0 | 111.6 | C40 I41 Q46 F47 K48 I93 Y96 P98 | C40-Y44 PolarHBondContact O-N 2.82Å; I41-Y44 WeakPolarHBondContact O-CB 3.35Å; I41-Y44 PolarHBondContact O-N 3.42Å; Y44-Q46 VanDerWaalsContact C-N 3.33Å; Y44-Q46 PolarHBondContact O-N 2.91Å; Y44-F47 PolarHBondContact O-N 2.99Å; Y44-K48 HydrophobicContact CE1-CD 4.18Å; Y44-K48 HydrophobicContact CE2-CD 4.42Å; Y44-K48 VanDerWaalsContact O-CB 3.3Å; Y44-K48 WeakPolarHBondContact O-CB 3.42Å; Y44-K48 PolarHBondContact O-N 3.48Å; Y44-K48 WeakPolarHBondContact OH-CD 3.2Å; Y44-I93 HydrophobicContact CD2-CG2 4.18Å; Y44-I93 HydrophobicContact CE2-CG2 3.87Å; Y44-Y96 VanDerWaalsContact CB-O 3.24Å; Y44-Y96 WeakPolarHBondContact CB-O 3.39Å; Y44-Y96 WeakPolarHBondContact CD2-O 3.46Å; Y44-P98 HydrophobicContact CD1-CG 4.33Å; Y44-P98 HydrophobicContact CD2-CG 4.36Å; Y44-P98 HydrophobicContact CE1-CG 3.83Å; Y44-P98 HydrophobicContact CE2-CG 3.86Å |
| 45 | W | 90 | Very high | 89.5 | Confident | 30 Ų | 30 | 34 Ų | 34 | 11% | 0.114 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -34.5 | -177.3 | -75.4 | 121 | 0 | 0 | 0 | 112.3 | I41 K48 N49 H116 F120 H123 | I41-W45 VanDerWaalsContact CG2-CD1 3.48Å; I41-W45 VanDerWaalsContact O-CD1 3.31Å; I41-W45 PolarHBondContact O-N 3.14Å; W45-K48 HydrophobicContact CE3-CD 4.33Å; W45-K48 HydrophobicContact CZ3-CD 4.01Å; W45-K48 PolarHBondContact O-N 2.83Å; W45-N49 WeakPolarHBondContact O-CB 3.24Å; W45-N49 PolarHBondContact O-N 3.24Å; W45-H116 AromaticContact NE1-NE2 3.92Å; W45-F120 AromaticContact CD2-CD2 3.95Å; W45-F120 HydrophobicContact CD2-CD2 3.95Å; W45-F120 AromaticContact CE2-CD2 3.59Å; W45-F120 AromaticContact CE3-CD2 3.9Å; W45-F120 HydrophobicContact CE3-CD2 3.9Å; W45-F120 HydrophobicContact CE3-CE2 4.29Å; W45-F120 AromaticContact CH2-CD2 3.22Å; W45-F120 HydrophobicContact CH2-CD2 3.22Å; W45-F120 AromaticContact CH2-CE2 3.29Å; W45-F120 HydrophobicContact CH2-CE2 3.29Å; W45-F120 HydrophobicContact CH2-CG 4.4Å; W45-F120 HydrophobicContact CZ2-CB 4.33Å; W45-F120 AromaticContact CZ2-CD2 3.24Å; W45-F120 HydrophobicContact CZ2-CD2 3.24Å; W45-F120 AromaticContact CZ2-CE2 3.82Å; W45-F120 HydrophobicContact CZ2-CE2 3.82Å; W45-F120 HydrophobicContact CZ2-CG 4.08Å; W45-F120 AromaticContact CZ3-CD2 3.56Å; W45-F120 HydrophobicContact CZ3-CD2 3.56Å; W45-F120 AromaticContact CZ3-CE2 3.55Å; W45-F120 HydrophobicContact CZ3-CE2 3.55Å; W45-H123 HydrophobicContact CB-CB 3.93Å; W45-H123 WeakPolarHBondContact CB-CD2 3.39Å |
| 46 | Q | 85.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.2 | -54.2 | 172.1 | 177.9 | 175.2 | 31.4 | 0 | 0 | 111.6 | E42 Y44 N49 Y50 H123 | E42-Q46 WeakPolarHBondContact O-CB 3.35Å; E42-Q46 PolarHBondContact O-N 3.21Å; Y44-Q46 VanDerWaalsContact C-N 3.33Å; Y44-Q46 PolarHBondContact O-N 2.91Å; Q46-N49 PolarHBondContact O-N 2.79Å; Q46-Y50 HydrophobicContact CG-CD2 4.02Å; Q46-Y50 HydrophobicContact CG-CE2 3.27Å; Q46-Y50 PolarHBondContact NE2-OH 3.05Å; Q46-Y50 VanDerWaalsContact O-CD2 3.22Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.29Å; Q46-Y50 PolarHBondContact O-N 3.2Å; Q46-H123 VanDerWaalsContact CA-CE1 3.49Å; Q46-H123 WeakPolarHBondContact CA-CE1 3.07Å; Q46-H123 PolarHBondContact N-CE1 3.23Å |
| 47 | F | 88.3 | Confident | 89.5 | Confident | 24 Ų | 24 | 32.5 Ų | 32.5 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -34.6 | -178.6 | -62.3 | -49.2 | 0 | 0 | 0 | 112.7 | K43 Y44 Y50 L51 Y89 K92 I93 Y96 | K43-F47 HydrophobicContact CB-CD2 4.41Å; K43-F47 HydrophobicContact CB-CE2 4.02Å; K43-F47 HydrophobicContact CD-CE2 3.96Å; K43-F47 HydrophobicContact CD-CZ 4.02Å; K43-F47 WeakPolarHBondContact O-CD2 3.43Å; K43-F47 WeakPolarHBondContact O-CG 3.23Å; K43-F47 PolarHBondContact O-N 3.37Å; Y44-F47 PolarHBondContact O-N 2.99Å; F47-Y50 HydrophobicContact CD1-CD2 4.38Å; F47-Y50 PolarHBondContact O-N 3.4Å; F47-L51 WeakPolarHBondContact O-CB 3.28Å; F47-L51 PolarHBondContact O-N 3.31Å; F47-Y89 HydrophobicContact CB-CD1 4.43Å; F47-Y89 AromaticContact CD1-CD1 3.76Å; F47-Y89 HydrophobicContact CD1-CD1 3.76Å; F47-Y89 HydrophobicContact CD1-CE1 4.05Å; F47-K92 HydrophobicContact CB-CB 4.36Å; F47-K92 HydrophobicContact CD1-CB 4.04Å; F47-K92 HydrophobicContact CD1-CG 4.46Å; F47-K92 HydrophobicContact CD2-CB 3.76Å; F47-K92 HydrophobicContact CE1-CB 4.25Å; F47-K92 HydrophobicContact CE1-CG 4.3Å; F47-K92 HydrophobicContact CE2-CB 4Å; F47-K92 HydrophobicContact CG-CB 3.79Å; F47-K92 HydrophobicContact CZ-CB 4.23Å; F47-K92 HydrophobicContact CZ-CD 4.45Å; F47-K92 HydrophobicContact CZ-CG 4.36Å; F47-I93 HydrophobicContact CB-CD1 4.45Å; F47-I93 HydrophobicContact CB-CG1 3.66Å; F47-Y96 AromaticContact CD2-CD2 3.88Å; F47-Y96 HydrophobicContact CD2-CD2 3.88Å; F47-Y96 HydrophobicContact CD2-CE2 4.26Å; F47-Y96 AromaticContact CE2-CD2 3.64Å; F47-Y96 HydrophobicContact CE2-CD2 3.64Å; F47-Y96 AromaticContact CE2-CE2 3.55Å; F47-Y96 HydrophobicContact CE2-CE2 3.55Å |
| 48 | K | 90.7 | Very high | 89.5 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 29% | 0.291 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.4 | -179.4 | 154.8 | -180 | 171 | 0 | 111.4 | Y44 W45 Y50 L51 D52 I93 | Y44-K48 HydrophobicContact CE1-CD 4.18Å; Y44-K48 HydrophobicContact CE2-CD 4.42Å; Y44-K48 VanDerWaalsContact O-CB 3.3Å; Y44-K48 WeakPolarHBondContact O-CB 3.42Å; Y44-K48 PolarHBondContact O-N 3.48Å; Y44-K48 WeakPolarHBondContact OH-CD 3.2Å; W45-K48 HydrophobicContact CE3-CD 4.33Å; W45-K48 HydrophobicContact CZ3-CD 4.01Å; W45-K48 PolarHBondContact O-N 2.83Å; K48-Y50 PolarHBondContact O-N 3.37Å; K48-L51 WeakPolarHBondContact O-CB 3.42Å; K48-L51 PolarHBondContact O-N 2.97Å; K48-D52 WeakPolarHBondContact CG-OD2 3.11Å; K48-D52 WeakPolarHBondContact O-CB 3.27Å; K48-D52 PolarHBondContact O-N 2.07Å; K48-I93 HydrophobicContact CB-CD1 4.28Å |
| 49 | N | 87.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 173.2 | -90.6 | 18 | 0 | 0 | 0 | 112.8 | W45 Q46 L51 D52 I53 H123 | W45-N49 WeakPolarHBondContact O-CB 3.24Å; W45-N49 PolarHBondContact O-N 3.24Å; Q46-N49 PolarHBondContact O-N 2.79Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.39Å; N49-D52 PolarHBondContact O-N 3.47Å; N49-I53 WeakPolarHBondContact O-CB 3.3Å; N49-I53 VanDerWaalsContact O-CG1 3.23Å; N49-I53 WeakPolarHBondContact O-CG1 3.45Å; N49-I53 PolarHBondContact O-N 3.28Å; N49-H123 VanDerWaalsContact ND2-CA 3.27Å; N49-H123 WeakPolarHBondContact ND2-CA 3.5Å; N49-H123 VanDerWaalsContact ND2-CB 3.3Å; N49-H123 WeakPolarHBondContact ND2-CB 3.35Å; N49-H123 PolarHBondContact ND2-ND1 3.12Å; N49-H123 PolarHBondContact ND2-O 2.97Å |
| 50 | Y | 84.8 | Confident | 89.6 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 179.2 | -63.4 | -40.1 | 0 | 0 | 0 | 111.6 | Q46 F47 K48 I53 M54 Y89 L171 S174 | Q46-Y50 HydrophobicContact CG-CD2 4.02Å; Q46-Y50 HydrophobicContact CG-CE2 3.27Å; Q46-Y50 PolarHBondContact NE2-OH 3.05Å; Q46-Y50 VanDerWaalsContact O-CD2 3.22Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.29Å; Q46-Y50 PolarHBondContact O-N 3.2Å; F47-Y50 HydrophobicContact CD1-CD2 4.38Å; F47-Y50 PolarHBondContact O-N 3.4Å; K48-Y50 PolarHBondContact O-N 3.37Å; Y50-I53 HydrophobicContact CD1-CD1 4.33Å; Y50-I53 PolarHBondContact O-N 3.4Å; Y50-M54 VanDerWaalsContact O-CG 3.28Å; Y50-M54 WeakPolarHBondContact O-CG 3.38Å; Y50-M54 PolarHBondContact O-N 3.39Å; Y50-M54 VanDerWaalsContact O-N 3.08Å; Y50-Y89 HydrophobicContact CD2-CD1 4.13Å; Y50-Y89 AromaticContact CD2-CE1 3.49Å; Y50-Y89 HydrophobicContact CD2-CE1 3.49Å; Y50-Y89 VanDerWaalsContact CD2-CE1 3.49Å; Y50-Y89 AromaticContact CD2-CZ 3.75Å; Y50-Y89 HydrophobicContact CE2-CE1 4.46Å; Y50-Y89 HydrophobicContact CG-CE1 4.01Å; Y50-Y89 HydrophobicContact CG-CE2 4.3Å; Y50-Y89 AromaticContact CG-CZ 3.87Å; Y50-L171 HydrophobicContact CD1-CD2 4.12Å; Y50-L171 HydrophobicContact CE1-CD2 4.15Å; Y50-L171 HydrophobicContact CG-CD2 4.45Å; Y50-S174 WeakPolarHBondContact OH-CB 3.46Å |
| 51 | L | 89.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 173.9 | 178.4 | 60.1 | 0 | 0 | 0 | 111.8 | F47 K48 N49 M54 K55 K86 E90 I93 | F47-L51 WeakPolarHBondContact O-CB 3.28Å; F47-L51 PolarHBondContact O-N 3.31Å; K48-L51 WeakPolarHBondContact O-CB 3.42Å; K48-L51 PolarHBondContact O-N 2.97Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.39Å; L51-M54 PolarHBondContact O-N 3.18Å; L51-K55 HydrophobicContact CG-CD 4.42Å; L51-K55 WeakPolarHBondContact O-CG 3.46Å; L51-K55 PolarHBondContact O-N 2.9Å; L51-K55 VanDerWaalsContact O-N 3.14Å; L51-K86 HydrophobicContact CD1-CB 3.85Å; L51-K86 HydrophobicContact CD1-CG 3.84Å; L51-E90 HydrophobicContact CD1-CG 3.86Å; L51-E90 HydrophobicContact CD2-CG 3.72Å; L51-E90 HydrophobicContact CG-CG 4.47Å; L51-I93 HydrophobicContact CB-CD1 4.11Å; L51-I93 HydrophobicContact CD2-CD1 3.6Å |
| 52 | D | 90.5 | Very high | 89.4 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 20% | 0.198 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | -179.3 | -65.5 | -18.3 | 0 | 0 | 0 | 110.5 | K48 N49 M54 K55 E56 L127 | K48-D52 WeakPolarHBondContact CG-OD2 3.11Å; K48-D52 WeakPolarHBondContact O-CB 3.27Å; K48-D52 PolarHBondContact O-N 2.07Å; N49-D52 PolarHBondContact O-N 3.47Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 3.25Å; D52-K55 PolarHBondContact O-N 3.47Å; D52-E56 WeakPolarHBondContact O-CB 3.48Å; D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.48Å; D52-L127 HydrophobicContact CB-CD1 3.93Å; D52-L127 HydrophobicContact CB-CD2 4.13Å |
| 53 | I | 86.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -48.9 | 173.6 | -71.7 | 165.1 | 0 | 0 | 0 | 110.4 | N49 Y50 K55 E56 S57 L127 N130 I131 I170 | N49-I53 WeakPolarHBondContact O-CB 3.3Å; N49-I53 VanDerWaalsContact O-CG1 3.23Å; N49-I53 WeakPolarHBondContact O-CG1 3.45Å; N49-I53 PolarHBondContact O-N 3.28Å; Y50-I53 HydrophobicContact CD1-CD1 4.33Å; Y50-I53 PolarHBondContact O-N 3.4Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.02Å; I53-E56 PolarHBondContact O-N 2.85Å; I53-S57 WeakPolarHBondContact O-CB 3.41Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 3.35Å; I53-L127 HydrophobicContact CB-CD1 4.36Å; I53-L127 HydrophobicContact CD1-CD1 4.48Å; I53-L127 HydrophobicContact CG1-CD1 3.45Å; I53-L127 VanDerWaalsContact CG1-CD1 3.45Å; I53-N130 HydrophobicContact CD1-CB 3.7Å; I53-N130 HydrophobicContact CG1-CB 4.1Å; I53-I131 HydrophobicContact CB-CD1 4.35Å; I53-I131 HydrophobicContact CG1-CD1 4.5Å; I53-I131 HydrophobicContact CG2-CD1 4.07Å; I53-I131 WeakPolarHBondContact O-CD1 3.48Å; I53-I170 HydrophobicContact CD1-CG2 4.1Å; I53-I170 HydrophobicContact CG2-CD1 4.25Å; I53-I170 HydrophobicContact CG2-CG2 3.93Å |
| 54 | M | 87.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | -178.6 | -62.1 | -59.9 | 150.5 | 0 | 0 | 112.5 | Y50 L51 D52 E58 F82 Q85 K86 V167 | Y50-M54 VanDerWaalsContact O-CG 3.28Å; Y50-M54 WeakPolarHBondContact O-CG 3.38Å; Y50-M54 PolarHBondContact O-N 3.39Å; Y50-M54 VanDerWaalsContact O-N 3.08Å; L51-M54 PolarHBondContact O-N 3.18Å; D52-M54 VanDerWaalsContact C-N 3.34Å; D52-M54 PolarHBondContact O-N 3.25Å; M54-E58 WeakPolarHBondContact O-CB 3.31Å; M54-E58 PolarHBondContact O-N 3.29Å; M54-F82 HydrophobicContact CB-CB 4.35Å; M54-F82 HydrophobicContact SD-CB 4.43Å; M54-F82 HydrophobicContact SD-CD1 3.32Å; M54-F82 WeakPolarHBondContact SD-CD1 3.47Å; M54-F82 HydrophobicContact SD-CE1 3.74Å; M54-F82 HydrophobicContact SD-CG 4.03Å; M54-Q85 HydrophobicContact CG-CB 4.31Å; M54-Q85 HydrophobicContact SD-CB 4.38Å; M54-K86 HydrophobicContact CB-CD 4.28Å; M54-K86 HydrophobicContact CB-CG 3.65Å; M54-K86 HydrophobicContact CG-CG 4.44Å; M54-V167 HydrophobicContact CE-CG1 4.09Å |
| 55 | K | 91.9 | Very high | 89 | Confident | 91 Ų | 91 | 32.9 Ų | 32.9 | 40% | 0.396 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 178.3 | -72.5 | 176.1 | 177.1 | 179 | 0 | 112 | L51 D52 I53 E58 S59 K86 | L51-K55 HydrophobicContact CG-CD 4.42Å; L51-K55 WeakPolarHBondContact O-CG 3.46Å; L51-K55 PolarHBondContact O-N 2.9Å; L51-K55 VanDerWaalsContact O-N 3.14Å; D52-K55 PolarHBondContact O-N 3.47Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.02Å; K55-E58 PolarHBondContact O-N 2.89Å; K55-S59 PolarHBondContact O-N 3.38Å; K55-K86 HydrophobicContact CG-CD 3.93Å |
| 56 | E | 90.8 | Very high | 89 | Confident | 99 Ų | 99 | 37.5 Ų | 37.5 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 178.9 | -68.8 | -60.1 | 153.2 | 0 | 0 | 111 | D52 I53 E58 S59 V60 I131 | D52-E56 WeakPolarHBondContact O-CB 3.48Å; D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.48Å; I53-E56 PolarHBondContact O-N 2.85Å; E56-E58 PolarHBondContact O-N 3.41Å; E56-S59 WeakPolarHBondContact O-CB 3.45Å; E56-S59 PolarHBondContact O-N 2.97Å; E56-V60 WeakPolarHBondContact O-CG2 3.48Å; E56-V60 PolarHBondContact O-N 2.93Å; E56-I131 HydrophobicContact CB-CD1 3.44Å; E56-I131 VanDerWaalsContact CB-CD1 3.44Å; E56-I131 HydrophobicContact CB-CG1 3.76Å; E56-I131 HydrophobicContact CB-CG2 4.42Å; E56-I131 HydrophobicContact CG-CG1 4.45Å |
| 57 | S | 88.2 | Confident | 89 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 173.9 | -69 | 0 | 0 | 0 | 0 | 112.4 | I53 S59 V60 I61 F82 F134 | I53-S57 WeakPolarHBondContact O-CB 3.41Å; I53-S57 PolarHBondContact O-N 3.26Å; I53-S57 PolarHBondContact O-OG 3.35Å; S57-S59 VanDerWaalsContact C-N 3.34Å; S57-V60 WeakPolarHBondContact O-CB 3.37Å; S57-V60 PolarHBondContact O-N 2.77Å; S57-I61 WeakPolarHBondContact O-CG1 3.46Å; S57-I61 PolarHBondContact O-N 3.23Å; S57-F82 VanDerWaalsContact CB-CE2 3.47Å; S57-F134 VanDerWaalsContact CB-CD1 3.48Å; S57-F134 VanDerWaalsContact CB-CE1 3.45Å; S57-F134 WeakPolarHBondContact O-CE1 3.38Å; S57-F134 VanDerWaalsContact OG-CD1 3.24Å; S57-F134 WeakPolarHBondContact OG-CD1 3.36Å; S57-F134 VanDerWaalsContact OG-CG 3.3Å; S57-F134 WeakPolarHBondContact OG-CG 3.28Å |
| 58 | E | 91.1 | Very high | 88.7 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 173 | -178.4 | 176 | -161.3 | 0 | 0 | 112 | M54 K55 E56 V60 I61 N62 K79 F82 K86 | M54-E58 WeakPolarHBondContact O-CB 3.31Å; M54-E58 PolarHBondContact O-N 3.29Å; K55-E58 PolarHBondContact O-N 2.89Å; E56-E58 PolarHBondContact O-N 3.41Å; E58-V60 VanDerWaalsContact C-N 3.32Å; E58-V60 PolarHBondContact O-N 3.4Å; E58-I61 PolarHBondContact O-N 2.93Å; E58-N62 PolarHBondContact O-N 3.4Å; E58-N62 PolarHBondContact O-ND2 3.43Å; E58-K79 HydrophobicContact CG-CG 4.36Å; E58-F82 HydrophobicContact CB-CD2 4.07Å; E58-K86 IonicContact OE1-NZ 3.29Å; E58-K86 IonicContact OE2-NZ 2.8Å; E58-K86 PolarHBondContact OE2-NZ 3.24Å |
| 59 | S | 92.7 | Very high | 88.5 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | K55 E56 S57 N62 T63 | K55-S59 PolarHBondContact O-N 3.38Å; E56-S59 WeakPolarHBondContact O-CB 3.45Å; E56-S59 PolarHBondContact O-N 2.97Å; S57-S59 VanDerWaalsContact C-N 3.34Å; S59-N62 PolarHBondContact O-N 2.88Å; S59-T63 WeakPolarHBondContact O-CB 3.19Å; S59-T63 PolarHBondContact O-N 3.2Å; S59-T63 PolarHBondContact O-OG1 2.78Å |
| 60 | V | 88.5 | Confident | 88.1 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 174.6 | 165.9 | 0 | 0 | 0 | 0 | 111.1 | E56 S57 E58 T63 I64 I131 F134 K135 | E56-V60 WeakPolarHBondContact O-CG2 3.48Å; E56-V60 PolarHBondContact O-N 2.93Å; S57-V60 WeakPolarHBondContact O-CB 3.37Å; S57-V60 PolarHBondContact O-N 2.77Å; E58-V60 VanDerWaalsContact C-N 3.32Å; E58-V60 PolarHBondContact O-N 3.4Å; V60-T63 PolarHBondContact O-N 3Å; V60-I64 HydrophobicContact CG1-CD1 3.67Å; V60-I64 WeakPolarHBondContact O-CB 3.38Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.43Å; V60-I64 PolarHBondContact O-N 3.12Å; V60-I131 HydrophobicContact CG2-CG2 4.5Å; V60-F134 HydrophobicContact CB-CD1 4.39Å; V60-F134 HydrophobicContact CB-CE1 4.23Å; V60-F134 HydrophobicContact CG1-CD1 4.21Å; V60-F134 HydrophobicContact CG1-CE1 4.06Å; V60-K135 HydrophobicContact CG1-CB 3.9Å; V60-K135 HydrophobicContact CG1-CG 3.89Å; V60-K135 HydrophobicContact CG2-CB 4.48Å |
| 61 | I | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 177.2 | -65.8 | 171.9 | 0 | 0 | 0 | 110.3 | S57 E58 T63 I64 E65 A75 L78 K79 F82 F134 F138 | S57-I61 WeakPolarHBondContact O-CG1 3.46Å; S57-I61 PolarHBondContact O-N 3.23Å; E58-I61 PolarHBondContact O-N 2.93Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.08Å; I61-I64 PolarHBondContact O-N 3.41Å; I61-E65 HydrophobicContact CG2-CG 4.36Å; I61-E65 PolarHBondContact O-N 2.93Å; I61-A75 HydrophobicContact CG2-CB 3.57Å; I61-L78 HydrophobicContact CD1-CB 3.78Å; I61-L78 HydrophobicContact CD1-CD1 4.17Å; I61-K79 HydrophobicContact CD1-CG 4.31Å; I61-F82 HydrophobicContact CD1-CD2 4.35Å; I61-F82 HydrophobicContact CD1-CE2 3.63Å; I61-F82 HydrophobicContact CD1-CZ 4.41Å; I61-F134 HydrophobicContact CD1-CZ 3.95Å; I61-F134 HydrophobicContact CG1-CE1 4.04Å; I61-F134 HydrophobicContact CG1-CZ 3.86Å; I61-F138 HydrophobicContact CB-CE1 3.98Å; I61-F138 HydrophobicContact CB-CZ 4.15Å; I61-F138 HydrophobicContact CD1-CZ 4.49Å; I61-F138 HydrophobicContact CG1-CD1 4.06Å; I61-F138 HydrophobicContact CG1-CD2 4.46Å; I61-F138 HydrophobicContact CG1-CE1 3.69Å; I61-F138 HydrophobicContact CG1-CE2 4.14Å; I61-F138 HydrophobicContact CG1-CG 4.43Å; I61-F138 HydrophobicContact CG1-CZ 3.75Å; I61-F138 HydrophobicContact CG2-CE1 3.94Å; I61-F138 HydrophobicContact CG2-CZ 3.73Å |
| 62 | N | 92 | Very high | 87.2 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | -179.4 | -68.5 | -29.6 | 0 | 0 | 0 | 111.1 | E58 S59 I64 E65 D66 K79 | E58-N62 PolarHBondContact O-N 3.4Å; E58-N62 PolarHBondContact O-ND2 3.43Å; S59-N62 PolarHBondContact O-N 2.88Å; N62-I64 VanDerWaalsContact C-N 3.3Å; N62-I64 PolarHBondContact O-N 2.85Å; N62-E65 PolarHBondContact O-N 3.31Å; N62-D66 WeakPolarHBondContact O-CB 3.4Å; N62-D66 PolarHBondContact O-N 3.27Å; N62-K79 WeakPolarHBondContact OD1-CE 3.46Å; N62-K79 PolarHBondContact OD1-NZ 3.4Å |
| 63 | T | 90.5 | Very high | 86.6 | Confident | 76 Ų | 76 | 63.4 Ų | 63.4 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | S59 V60 I61 T67 | S59-T63 WeakPolarHBondContact O-CB 3.19Å; S59-T63 PolarHBondContact O-N 3.2Å; S59-T63 PolarHBondContact O-OG1 2.78Å; V60-T63 PolarHBondContact O-N 3Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 3.08Å; T63-T67 WeakPolarHBondContact O-CB 3.3Å; T63-T67 PolarHBondContact O-N 3.09Å; T63-T67 PolarHBondContact O-OG1 3.22Å |
| 64 | I | 84.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.1 | -48.2 | 179.3 | -72.3 | 166.8 | 0 | 0 | 0 | 110.5 | V60 I61 N62 D66 T67 Y68 F138 L139 I142 | V60-I64 HydrophobicContact CG1-CD1 3.67Å; V60-I64 WeakPolarHBondContact O-CB 3.38Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.43Å; V60-I64 PolarHBondContact O-N 3.12Å; I61-I64 PolarHBondContact O-N 3.41Å; N62-I64 VanDerWaalsContact C-N 3.3Å; N62-I64 PolarHBondContact O-N 2.85Å; I64-D66 VanDerWaalsContact C-N 3.31Å; I64-D66 PolarHBondContact O-N 3.23Å; I64-T67 PolarHBondContact O-N 2.86Å; I64-Y68 HydrophobicContact CG2-CD2 3.77Å; I64-Y68 HydrophobicContact CG2-CE2 4.07Å; I64-Y68 WeakPolarHBondContact O-CD2 3.45Å; I64-Y68 PolarHBondContact O-N 3.02Å; I64-F138 HydrophobicContact CB-CE1 4.36Å; I64-F138 HydrophobicContact CD1-CD1 3.74Å; I64-F138 HydrophobicContact CD1-CE1 4.2Å; I64-F138 HydrophobicContact CG2-CE1 4.25Å; I64-L139 HydrophobicContact CD1-CD2 3.65Å; I64-L139 HydrophobicContact CD1-CG 3.87Å; I64-L139 HydrophobicContact CG1-CD2 4.08Å; I64-L139 HydrophobicContact CG2-CD2 4.1Å; I64-I142 HydrophobicContact CG2-CD1 3.5Å |
| 65 | E | 87.1 | Confident | 86 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 177.1 | -75.1 | -170.2 | 133.9 | 0 | 0 | 111.8 | I61 N62 R69 I70 T71 V72 A75 K79 | I61-E65 HydrophobicContact CG2-CG 4.36Å; I61-E65 PolarHBondContact O-N 2.93Å; N62-E65 PolarHBondContact O-N 3.31Å; E65-R69 WeakPolarHBondContact O-CA 3.22Å; E65-R69 PolarHBondContact O-N 3.25Å; E65-I70 WeakPolarHBondContact CA-O 3.23Å; E65-I70 VanDerWaalsContact CB-O 3.26Å; E65-I70 WeakPolarHBondContact CB-O 3.37Å; E65-I70 WeakPolarHBondContact CG-O 3.42Å; E65-I70 PolarHBondContact O-N 3.38Å; E65-I70 VanDerWaalsContact O-N 3.1Å; E65-T71 WeakPolarHBondContact OE1-CA 3.41Å; E65-V72 PolarHBondContact OE1-N 2.94Å; E65-V72 VanDerWaalsContact OE1-N 3.1Å; E65-A75 HydrophobicContact CG-CB 4.48Å; E65-A75 WeakPolarHBondContact OE1-CB 3.43Å; E65-K79 IonicContact OE2-NZ 2.65Å; E65-K79 PolarHBondContact OE2-NZ 2.83Å |
| 66 | D | 89.7 | Confident | 85.6 | Confident | 127 Ų | 127 | 63 Ų | 63 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.2 | -44.1 | 177.9 | -70 | -22.1 | 0 | 0 | 0 | 112.1 | N62 I64 Y68 R69 | N62-D66 WeakPolarHBondContact O-CB 3.4Å; N62-D66 PolarHBondContact O-N 3.27Å; I64-D66 VanDerWaalsContact C-N 3.31Å; I64-D66 PolarHBondContact O-N 3.23Å; D66-Y68 PolarHBondContact O-N 3.32Å; D66-R69 PolarHBondContact O-N 2.86Å |
| 67 | T | 87.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | -178.6 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | T63 I64 | T63-T67 WeakPolarHBondContact O-CB 3.3Å; T63-T67 PolarHBondContact O-N 3.09Å; T63-T67 PolarHBondContact O-OG1 3.22Å; I64-T67 PolarHBondContact O-N 2.86Å |
| 68 | Y | 82.8 | Confident | 84.9 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -96.4 | -3.3 | -177 | -62.5 | -70.9 | 0 | 0 | 0 | 113.5 | I64 D66 I70 L139 | I64-Y68 HydrophobicContact CG2-CD2 3.77Å; I64-Y68 HydrophobicContact CG2-CE2 4.07Å; I64-Y68 WeakPolarHBondContact O-CD2 3.45Å; I64-Y68 PolarHBondContact O-N 3.02Å; D66-Y68 PolarHBondContact O-N 3.32Å; Y68-I70 PolarHBondContact O-N 3.37Å; Y68-L139 HydrophobicContact CE2-CD2 4.4Å |
| 69 | R | 84.8 | Confident | 84.7 | Confident | 236 Ų | 236 | 61.5 Ų | 61.5 | 89% | 0.891 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 42.6 | -175.3 | -56.1 | -179.6 | -179.4 | -179.7 | -0.4 | 112.3 | E65 D66 | E65-R69 WeakPolarHBondContact O-CA 3.22Å; E65-R69 PolarHBondContact O-N 3.25Å; D66-R69 PolarHBondContact O-N 2.86Å |
| 70 | I | 80 | Confident | 84.4 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | trans | -112.3 | 152.5 | 178.3 | 61.8 | 179.5 | 0 | 0 | 0 | 109.5 | E65 Y68 V72 I142 | E65-I70 WeakPolarHBondContact CA-O 3.23Å; E65-I70 VanDerWaalsContact CB-O 3.26Å; E65-I70 WeakPolarHBondContact CB-O 3.37Å; E65-I70 WeakPolarHBondContact CG-O 3.42Å; E65-I70 PolarHBondContact O-N 3.38Å; E65-I70 VanDerWaalsContact O-N 3.1Å; Y68-I70 PolarHBondContact O-N 3.37Å; I70-V72 HydrophobicContact CB-CG2 4.42Å; I70-V72 HydrophobicContact CD1-CG2 3.79Å; I70-V72 HydrophobicContact CG1-CG2 4.04Å; I70-I142 HydrophobicContact CD1-CD1 4.27Å; I70-I142 HydrophobicContact CD1-CG2 3.62Å | ||
| 71 | T | 79.2 | Confident | 84.3 | Confident | 122 Ų | 122 | 64.2 Ų | 64.2 | 75% | 0.748 | 33% | 0.328 | S | S | * | . | trans | -125.2 | 121 | 165.5 | -55.5 | 0 | 0 | 0 | 0 | 107.4 | E65 | E65-T71 WeakPolarHBondContact OE1-CA 3.41Š| ||
| 72 | V | 75 | Confident | 84.2 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | trans | -109.5 | 125.8 | -172 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | E65 I70 L74 A75 S76 I142 E145 | E65-V72 PolarHBondContact OE1-N 2.94Å; E65-V72 VanDerWaalsContact OE1-N 3.1Å; I70-V72 HydrophobicContact CB-CG2 4.42Å; I70-V72 HydrophobicContact CD1-CG2 3.79Å; I70-V72 HydrophobicContact CG1-CG2 4.04Å; V72-L74 HydrophobicContact CG1-CB 3.96Å; V72-L74 PolarHBondContact O-N 3.16Å; V72-L74 VanDerWaalsContact O-N 3.14Å; V72-A75 HydrophobicContact CB-CB 4.1Å; V72-A75 WeakPolarHBondContact O-CA 3.38Å; V72-A75 WeakPolarHBondContact O-CB 3.26Å; V72-A75 PolarHBondContact O-N 3.2Å; V72-S76 PolarHBondContact O-N 2.72Å; V72-I142 HydrophobicContact CG1-CG1 4.47Å; V72-I142 HydrophobicContact CG2-CD1 4.45Å; V72-I142 HydrophobicContact CG2-CG1 4.13Å; V72-I142 HydrophobicContact CG2-CG2 4.43Å; V72-E145 WeakPolarHBondContact CG1-OE2 3.38Å | ||
| 73 | P | 77.7 | Confident | 84 | Confident | 91 Ų | 91 | 65 Ų | 65 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.7 | -36.5 | 179.4 | -28.2 | 35.8 | 0 | 0 | 0 | 112.9 | A75 S76 K77 | P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 3.06Å; P73-S76 PolarHBondContact O-N 3.45Å; P73-K77 PolarHBondContact O-N 3.08Å |
| 74 | L | 78.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 171.8 | 177.4 | 57.5 | 0 | 0 | 0 | 113.1 | V72 S76 K77 L78 D141 E145 I153 | V72-L74 HydrophobicContact CG1-CB 3.96Å; V72-L74 PolarHBondContact O-N 3.16Å; V72-L74 VanDerWaalsContact O-N 3.14Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.04Å; L74-K77 PolarHBondContact O-N 3.49Å; L74-L78 HydrophobicContact CD1-CD1 4.09Å; L74-L78 HydrophobicContact CD1-CG 4.09Å; L74-L78 HydrophobicContact CG-CD1 3.97Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 2.93Å; L74-D141 HydrophobicContact CD2-CB 3.84Å; L74-E145 WeakPolarHBondContact CB-OE1 3.38Å; L74-I153 HydrophobicContact CD1-CD1 3.09Å; L74-I153 HydrophobicContact CD1-CG1 4.39Å |
| 75 | A | 83.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I61 E65 V72 P73 L78 K79 F138 | I61-A75 HydrophobicContact CG2-CB 3.57Å; E65-A75 HydrophobicContact CG-CB 4.48Å; E65-A75 WeakPolarHBondContact OE1-CB 3.43Å; V72-A75 HydrophobicContact CB-CB 4.1Å; V72-A75 WeakPolarHBondContact O-CA 3.38Å; V72-A75 WeakPolarHBondContact O-CB 3.26Å; V72-A75 PolarHBondContact O-N 3.2Å; P73-A75 VanDerWaalsContact C-N 3.34Å; P73-A75 PolarHBondContact O-N 3.06Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-K79 VanDerWaalsContact O-CG 3.31Å; A75-K79 WeakPolarHBondContact O-CG 3.05Å; A75-K79 PolarHBondContact O-N 3.18Å; A75-F138 HydrophobicContact CB-CE2 4.36Å; A75-F138 HydrophobicContact CB-CZ 3.93Å |
| 76 | S | 83.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 47% | 0.469 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 178.9 | -65 | 0 | 0 | 0 | 0 | 111.7 | V72 P73 L74 K79 E80 | V72-S76 PolarHBondContact O-N 2.72Å; P73-S76 PolarHBondContact O-N 3.45Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.04Å; S76-K79 PolarHBondContact O-N 3.06Å; S76-E80 PolarHBondContact O-N 3.2Å; S76-E80 VanDerWaalsContact O-N 3.12Å |
| 77 | K | 81.5 | Confident | 84.1 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 176.3 | -67.1 | -179.6 | -176.2 | 177.2 | 0 | 112 | P73 L74 E80 C81 N152 | P73-K77 PolarHBondContact O-N 3.08Å; L74-K77 PolarHBondContact O-N 3.49Å; K77-E80 WeakPolarHBondContact O-CB 3.25Å; K77-E80 PolarHBondContact O-N 3.44Å; K77-C81 PolarHBondContact O-N 3.12Å; K77-C81 PolarHBondContact O-SG 3Å; K77-N152 PolarHBondContact NZ-OD1 3.07Å |
| 78 | L | 83.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.6 | -73.6 | 173.3 | 0 | 0 | 0 | 111.9 | I61 L74 A75 E80 C81 F82 F138 A166 | I61-L78 HydrophobicContact CD1-CB 3.78Å; I61-L78 HydrophobicContact CD1-CD1 4.17Å; L74-L78 HydrophobicContact CD1-CD1 4.09Å; L74-L78 HydrophobicContact CD1-CG 4.09Å; L74-L78 HydrophobicContact CG-CD1 3.97Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CG 3.5Å; L74-L78 PolarHBondContact O-N 2.93Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 3.38Å; L78-C81 PolarHBondContact O-N 3.39Å; L78-F82 HydrophobicContact CB-CE2 4.42Å; L78-F82 HydrophobicContact CB-CZ 4.37Å; L78-F82 WeakPolarHBondContact O-CB 3.4Å; L78-F82 WeakPolarHBondContact O-CD1 3.45Å; L78-F82 WeakPolarHBondContact O-CG 3.41Å; L78-F82 PolarHBondContact O-N 3.08Å; L78-F138 HydrophobicContact CD1-CD2 3.82Å; L78-F138 HydrophobicContact CD1-CE2 3.81Å; L78-A166 HydrophobicContact CD2-CB 3.61Å |
| 79 | K | 86.8 | Confident | 84.4 | Confident | 39 Ų | 39 | 58 Ų | 58 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 175.8 | -71 | 174.5 | -170.8 | 177.1 | 0 | 111.7 | E58 I61 N62 E65 A75 S76 F82 N83 | E58-K79 HydrophobicContact CG-CG 4.36Å; I61-K79 HydrophobicContact CD1-CG 4.31Å; N62-K79 WeakPolarHBondContact OD1-CE 3.46Å; N62-K79 PolarHBondContact OD1-NZ 3.4Å; E65-K79 IonicContact OE2-NZ 2.65Å; E65-K79 PolarHBondContact OE2-NZ 2.83Å; A75-K79 VanDerWaalsContact O-CG 3.31Å; A75-K79 WeakPolarHBondContact O-CG 3.05Å; A75-K79 PolarHBondContact O-N 3.18Å; S76-K79 PolarHBondContact O-N 3.06Å; K79-F82 PolarHBondContact O-N 3.42Å; K79-N83 PolarHBondContact O-N 3.07Å; K79-N83 PolarHBondContact O-ND2 3.22Å |
| 80 | E | 85.3 | Confident | 84.8 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 174.7 | -172.4 | -178.5 | 176.1 | 0 | 0 | 112.2 | S76 K77 L78 F82 N83 T84 | S76-E80 PolarHBondContact O-N 3.2Å; S76-E80 VanDerWaalsContact O-N 3.12Å; K77-E80 WeakPolarHBondContact O-CB 3.25Å; K77-E80 PolarHBondContact O-N 3.44Å; L78-E80 VanDerWaalsContact C-N 3.28Å; L78-E80 PolarHBondContact O-N 3.38Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 2.89Å; E80-N83 PolarHBondContact O-N 3.31Å; E80-T84 PolarHBondContact O-N 3.02Å; E80-T84 PolarHBondContact O-OG1 2.98Å |
| 81 | C | 86.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | K77 L78 N83 T84 Q85 C155 | K77-C81 PolarHBondContact O-N 3.12Å; K77-C81 PolarHBondContact O-SG 3Å; L78-C81 PolarHBondContact O-N 3.39Å; C81-N83 PolarHBondContact O-N 3.08Å; C81-T84 PolarHBondContact O-N 3.07Å; C81-Q85 WeakPolarHBondContact O-CG 3.45Å; C81-Q85 PolarHBondContact O-N 3.44Å; C81-C155 HydrophobicContact CB-CB 4.13Å; C81-C155 WeakPolarHBondContact CB-SG 3.22Å; C81-C155 WeakPolarHBondContact SG-CB 3.39Å; C81-C155 CovalentContact SG-SG 2.07Å; C81-C155 PolarHBondContact SG-SG 3.1Å |
| 82 | F | 88.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 177.6 | -66.1 | -13.4 | 0 | 0 | 0 | 111.9 | M54 S57 E58 I61 L78 K79 E80 T84 Q85 K86 F134 V167 | M54-F82 HydrophobicContact CB-CB 4.35Å; M54-F82 HydrophobicContact SD-CB 4.43Å; M54-F82 HydrophobicContact SD-CD1 3.32Å; M54-F82 WeakPolarHBondContact SD-CD1 3.47Å; M54-F82 HydrophobicContact SD-CE1 3.74Å; M54-F82 HydrophobicContact SD-CG 4.03Å; S57-F82 VanDerWaalsContact CB-CE2 3.47Å; E58-F82 HydrophobicContact CB-CD2 4.07Å; I61-F82 HydrophobicContact CD1-CD2 4.35Å; I61-F82 HydrophobicContact CD1-CE2 3.63Å; I61-F82 HydrophobicContact CD1-CZ 4.41Å; L78-F82 HydrophobicContact CB-CE2 4.42Å; L78-F82 HydrophobicContact CB-CZ 4.37Å; L78-F82 WeakPolarHBondContact O-CB 3.4Å; L78-F82 WeakPolarHBondContact O-CD1 3.45Å; L78-F82 WeakPolarHBondContact O-CG 3.41Å; L78-F82 PolarHBondContact O-N 3.08Å; K79-F82 PolarHBondContact O-N 3.42Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 2.89Å; F82-T84 VanDerWaalsContact C-N 3.33Å; F82-T84 PolarHBondContact O-N 2.95Å; F82-Q85 PolarHBondContact O-N 3.27Å; F82-K86 WeakPolarHBondContact O-CB 3.13Å; F82-K86 VanDerWaalsContact O-CG 3.24Å; F82-K86 WeakPolarHBondContact O-CG 3.44Å; F82-K86 PolarHBondContact O-N 3.23Å; F82-F134 HydrophobicContact CE2-CE2 4.43Å; F82-F134 HydrophobicContact CE2-CZ 4.05Å; F82-F134 AromaticContact CZ-CE2 3.71Å; F82-F134 HydrophobicContact CZ-CE2 3.71Å; F82-F134 AromaticContact CZ-CZ 3.78Å; F82-F134 HydrophobicContact CZ-CZ 3.78Å; F82-V167 HydrophobicContact CE1-CG2 4.19Å |
| 83 | N | 88.5 | Confident | 86.6 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.6 | -77.1 | -30.1 | 0 | 0 | 0 | 112.3 | K79 E80 C81 Q85 K86 L87 | K79-N83 PolarHBondContact O-N 3.07Å; K79-N83 PolarHBondContact O-ND2 3.22Å; E80-N83 PolarHBondContact O-N 3.31Å; C81-N83 PolarHBondContact O-N 3.08Å; N83-Q85 PolarHBondContact O-N 3.02Å; N83-K86 WeakPolarHBondContact OD1-CE 3.49Å; N83-K86 PolarHBondContact OD1-NZ 3.39Å; N83-L87 WeakPolarHBondContact O-CG 3.4Å; N83-L87 PolarHBondContact O-N 2.9Å |
| 84 | T | 86.3 | Confident | 87.3 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E80 C81 F82 F88 | E80-T84 PolarHBondContact O-N 3.02Å; E80-T84 PolarHBondContact O-OG1 2.98Å; C81-T84 PolarHBondContact O-N 3.07Å; F82-T84 VanDerWaalsContact C-N 3.33Å; F82-T84 PolarHBondContact O-N 2.95Å; T84-F88 PolarHBondContact O-N 3.49Å |
| 85 | Q | 86.1 | Confident | 87.9 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.6 | -38.9 | -179 | -68.2 | -173.7 | 25.9 | 0 | 0 | 113.2 | M54 C81 F82 N83 L87 F88 Y89 | M54-Q85 HydrophobicContact CG-CB 4.31Å; M54-Q85 HydrophobicContact SD-CB 4.38Å; C81-Q85 WeakPolarHBondContact O-CG 3.45Å; C81-Q85 PolarHBondContact O-N 3.44Å; F82-Q85 PolarHBondContact O-N 3.27Å; N83-Q85 PolarHBondContact O-N 3.02Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 3.15Å; Q85-F88 WeakPolarHBondContact O-CB 3.31Å; Q85-F88 PolarHBondContact O-N 3.16Å; Q85-F88 VanDerWaalsContact O-N 3.12Å; Q85-Y89 HydrophobicContact CB-CD2 4.33Å; Q85-Y89 HydrophobicContact CB-CE2 4.03Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.27Å; Q85-Y89 PolarHBondContact O-N 3Å |
| 86 | K | 91 | Very high | 88.2 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 13% | 0.13 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 174.6 | -75 | -176.5 | -64.6 | -179.2 | 0 | 110.5 | L51 M54 K55 E58 F82 N83 F88 Y89 E90 | L51-K86 HydrophobicContact CD1-CB 3.85Å; L51-K86 HydrophobicContact CD1-CG 3.84Å; M54-K86 HydrophobicContact CB-CD 4.28Å; M54-K86 HydrophobicContact CB-CG 3.65Å; M54-K86 HydrophobicContact CG-CG 4.44Å; K55-K86 HydrophobicContact CG-CD 3.93Å; E58-K86 IonicContact OE1-NZ 3.29Å; E58-K86 IonicContact OE2-NZ 2.8Å; E58-K86 PolarHBondContact OE2-NZ 3.24Å; F82-K86 WeakPolarHBondContact O-CB 3.13Å; F82-K86 VanDerWaalsContact O-CG 3.24Å; F82-K86 WeakPolarHBondContact O-CG 3.44Å; F82-K86 PolarHBondContact O-N 3.23Å; N83-K86 WeakPolarHBondContact OD1-CE 3.49Å; N83-K86 PolarHBondContact OD1-NZ 3.39Å; K86-F88 VanDerWaalsContact C-N 3.28Å; K86-F88 PolarHBondContact O-N 3.37Å; K86-Y89 PolarHBondContact O-N 3.41Å; K86-E90 WeakPolarHBondContact O-CB 3.21Å; K86-E90 VanDerWaalsContact O-CG 3.27Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 2.9Å |
| 87 | L | 89.8 | Confident | 88.6 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 177.5 | -70.5 | 172.2 | 0 | 0 | 0 | 112.5 | N83 Q85 K91 | N83-L87 WeakPolarHBondContact O-CG 3.4Å; N83-L87 PolarHBondContact O-N 2.9Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 3.15Å; L87-K91 VanDerWaalsContact O-CG 3.31Å; L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.1Å |
| 88 | F | 88.7 | Confident | 88.9 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 175.5 | 173.9 | -96.3 | 0 | 0 | 0 | 111.8 | T84 Q85 K86 K91 K92 | T84-F88 PolarHBondContact O-N 3.49Å; Q85-F88 WeakPolarHBondContact O-CB 3.31Å; Q85-F88 PolarHBondContact O-N 3.16Å; Q85-F88 VanDerWaalsContact O-N 3.12Å; K86-F88 VanDerWaalsContact C-N 3.28Å; K86-F88 PolarHBondContact O-N 3.37Å; F88-K91 WeakPolarHBondContact O-CB 3.22Å; F88-K91 PolarHBondContact O-N 2.89Å; F88-K92 HydrophobicContact CD1-CG 4.31Å; F88-K92 HydrophobicContact CE1-CG 3.92Å; F88-K92 HydrophobicContact CE2-CG 4.38Å; F88-K92 HydrophobicContact CZ-CD 4.3Å; F88-K92 HydrophobicContact CZ-CG 3.97Å; F88-K92 WeakPolarHBondContact O-CG 3.41Å; F88-K92 PolarHBondContact O-N 3.23Å |
| 89 | Y | 88.5 | Confident | 89.3 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.7 | -36.7 | -178.3 | -66.3 | -55 | 0 | 0 | 0 | 112.8 | F47 Y50 Q85 K86 K91 K92 I93 L171 | F47-Y89 HydrophobicContact CB-CD1 4.43Å; F47-Y89 AromaticContact CD1-CD1 3.76Å; F47-Y89 HydrophobicContact CD1-CD1 3.76Å; F47-Y89 HydrophobicContact CD1-CE1 4.05Å; Y50-Y89 HydrophobicContact CD2-CD1 4.13Å; Y50-Y89 AromaticContact CD2-CE1 3.49Å; Y50-Y89 HydrophobicContact CD2-CE1 3.49Å; Y50-Y89 VanDerWaalsContact CD2-CE1 3.49Å; Y50-Y89 AromaticContact CD2-CZ 3.75Å; Y50-Y89 HydrophobicContact CE2-CE1 4.46Å; Y50-Y89 HydrophobicContact CG-CE1 4.01Å; Y50-Y89 HydrophobicContact CG-CE2 4.3Å; Y50-Y89 AromaticContact CG-CZ 3.87Å; Q85-Y89 HydrophobicContact CB-CD2 4.33Å; Q85-Y89 HydrophobicContact CB-CE2 4.03Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.27Å; Q85-Y89 PolarHBondContact O-N 3Å; K86-Y89 PolarHBondContact O-N 3.41Å; Y89-K91 VanDerWaalsContact C-N 3.3Å; Y89-K91 PolarHBondContact O-N 3.24Å; Y89-K92 PolarHBondContact O-N 3.33Å; Y89-K92 VanDerWaalsContact O-N 3.09Å; Y89-I93 VanDerWaalsContact O-CG1 3.26Å; Y89-I93 WeakPolarHBondContact O-CG1 3.3Å; Y89-I93 PolarHBondContact O-N 3.45Å; Y89-L171 VanDerWaalsContact OH-CD2 3.25Å; Y89-L171 WeakPolarHBondContact OH-CD2 3.27Å |
| 90 | E | 91.8 | Very high | 89.6 | Confident | 70 Ų | 70 | 74 Ų | 74 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 172.2 | -76.4 | 177.8 | 168.7 | 0 | 0 | 112 | L51 K86 R94 | L51-E90 HydrophobicContact CD1-CG 3.86Å; L51-E90 HydrophobicContact CD2-CG 3.72Å; L51-E90 HydrophobicContact CG-CG 4.47Å; K86-E90 WeakPolarHBondContact O-CB 3.21Å; K86-E90 VanDerWaalsContact O-CG 3.27Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 2.9Å; E90-R94 WeakPolarHBondContact O-CG 3.24Å |
| 91 | K | 91.8 | Very high | 89.9 | Confident | 131 Ų | 131 | 68 Ų | 68 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 173.2 | -71.9 | 172.4 | -175.8 | 177.2 | 0 | 110.9 | L87 F88 Y89 I93 R94 Y95 | L87-K91 VanDerWaalsContact O-CG 3.31Å; L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.1Å; F88-K91 WeakPolarHBondContact O-CB 3.22Å; F88-K91 PolarHBondContact O-N 2.89Å; Y89-K91 VanDerWaalsContact C-N 3.3Å; Y89-K91 PolarHBondContact O-N 3.24Å; K91-I93 PolarHBondContact O-N 3.07Å; K91-R94 WeakPolarHBondContact O-CB 3.42Å; K91-R94 PolarHBondContact O-N 2.75Å; K91-Y95 WeakPolarHBondContact O-CD2 3.48Å; K91-Y95 VanDerWaalsContact O-CE2 3.31Å; K91-Y95 WeakPolarHBondContact O-CE2 3.24Å |
| 92 | K | 89.5 | Confident | 90.1 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 34% | 0.335 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | -179.9 | -70.1 | -64 | -174.7 | -178.1 | 0 | 112.9 | F47 F88 Y89 R94 Y95 Y96 | F47-K92 HydrophobicContact CB-CB 4.36Å; F47-K92 HydrophobicContact CD1-CB 4.04Å; F47-K92 HydrophobicContact CD1-CG 4.46Å; F47-K92 HydrophobicContact CD2-CB 3.76Å; F47-K92 HydrophobicContact CE1-CB 4.25Å; F47-K92 HydrophobicContact CE1-CG 4.3Å; F47-K92 HydrophobicContact CE2-CB 4Å; F47-K92 HydrophobicContact CG-CB 3.79Å; F47-K92 HydrophobicContact CZ-CB 4.23Å; F47-K92 HydrophobicContact CZ-CD 4.45Å; F47-K92 HydrophobicContact CZ-CG 4.36Å; F88-K92 HydrophobicContact CD1-CG 4.31Å; F88-K92 HydrophobicContact CE1-CG 3.92Å; F88-K92 HydrophobicContact CE2-CG 4.38Å; F88-K92 HydrophobicContact CZ-CD 4.3Å; F88-K92 HydrophobicContact CZ-CG 3.97Å; F88-K92 WeakPolarHBondContact O-CG 3.41Å; F88-K92 PolarHBondContact O-N 3.23Å; Y89-K92 PolarHBondContact O-N 3.33Å; Y89-K92 VanDerWaalsContact O-N 3.09Å; K92-R94 PolarHBondContact O-N 3.41Å; K92-Y95 WeakPolarHBondContact O-CB 3.31Å; K92-Y95 PolarHBondContact O-N 3.07Å; K92-Y96 WeakPolarHBondContact O-CD2 3.49Å |
| 93 | I | 91.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 78.4 Ų | 78.4 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -34.1 | 179.3 | -69.5 | 163.5 | 0 | 0 | 0 | 111.8 | Y44 F47 K48 L51 Y89 K91 Y95 Y96 T97 | Y44-I93 HydrophobicContact CD2-CG2 4.18Å; Y44-I93 HydrophobicContact CE2-CG2 3.87Å; F47-I93 HydrophobicContact CB-CD1 4.45Å; F47-I93 HydrophobicContact CB-CG1 3.66Å; K48-I93 HydrophobicContact CB-CD1 4.28Å; L51-I93 HydrophobicContact CB-CD1 4.11Å; L51-I93 HydrophobicContact CD2-CD1 3.6Å; Y89-I93 VanDerWaalsContact O-CG1 3.26Å; Y89-I93 WeakPolarHBondContact O-CG1 3.3Å; Y89-I93 PolarHBondContact O-N 3.45Å; K91-I93 PolarHBondContact O-N 3.07Å; I93-Y95 PolarHBondContact O-N 2.68Å; I93-Y96 CarbonylContact O-C 3.36Å; I93-Y96 PolarHBondContact O-N 3.24Å; I93-Y96 VanDerWaalsContact O-N 3.08Å; I93-T97 PolarHBondContact O-N 3.11Å |
| 94 | R | 92.1 | Very high | 90.1 | Very high | 174 Ų | 174 | 79.2 Ų | 79.2 | 66% | 0.657 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.2 | -23.8 | 177.2 | -63.9 | 174.3 | -170.4 | -169.9 | 2.2 | 113.5 | E90 K91 K92 K100 | E90-R94 WeakPolarHBondContact O-CG 3.24Å; K91-R94 WeakPolarHBondContact O-CB 3.42Å; K91-R94 PolarHBondContact O-N 2.75Å; K92-R94 PolarHBondContact O-N 3.41Å; R94-K100 PolarHBondContact O-NZ 3.36Å |
| 95 | Y | 90.8 | Very high | 90 | Very high | 153 Ų | 153 | 79.1 Ų | 79.1 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -79.2 | -28.3 | 175.5 | -63.7 | -82.6 | 0 | 0 | 0 | 112.4 | K91 K92 I93 K100 | K91-Y95 WeakPolarHBondContact O-CD2 3.48Å; K91-Y95 VanDerWaalsContact O-CE2 3.31Å; K91-Y95 WeakPolarHBondContact O-CE2 3.24Å; K92-Y95 WeakPolarHBondContact O-CB 3.31Å; K92-Y95 PolarHBondContact O-N 3.07Å; I93-Y95 PolarHBondContact O-N 2.68Å; Y95-K100 VanDerWaalsContact O-CD 3.27Å; Y95-K100 WeakPolarHBondContact O-CD 3.23Å |
| 96 | Y | 90.9 | Very high | 89.7 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -119.4 | 46.6 | -173.7 | -56.7 | -81.6 | 0 | 0 | 0 | 112 | K43 Y44 F47 K92 I93 | K43-Y96 HydrophobicContact CB-CD1 3.8Å; K43-Y96 HydrophobicContact CB-CD2 4.15Å; K43-Y96 HydrophobicContact CB-CE1 3.98Å; K43-Y96 HydrophobicContact CB-CE2 4.33Å; K43-Y96 HydrophobicContact CB-CG 3.89Å; K43-Y96 HydrophobicContact CG-CE1 4.25Å; Y44-Y96 VanDerWaalsContact CB-O 3.24Å; Y44-Y96 WeakPolarHBondContact CB-O 3.39Å; Y44-Y96 WeakPolarHBondContact CD2-O 3.46Å; F47-Y96 AromaticContact CD2-CD2 3.88Å; F47-Y96 HydrophobicContact CD2-CD2 3.88Å; F47-Y96 HydrophobicContact CD2-CE2 4.26Å; F47-Y96 AromaticContact CE2-CD2 3.64Å; F47-Y96 HydrophobicContact CE2-CD2 3.64Å; F47-Y96 AromaticContact CE2-CE2 3.55Å; F47-Y96 HydrophobicContact CE2-CE2 3.55Å; K92-Y96 WeakPolarHBondContact O-CD2 3.49Å; I93-Y96 CarbonylContact O-C 3.36Å; I93-Y96 PolarHBondContact O-N 3.24Å; I93-Y96 VanDerWaalsContact O-N 3.08Å |
| 97 | T | 91.2 | Very high | 89 | Confident | 42 Ų | 42 | 85 Ų | 85 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | trans | -65.7 | 153 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | I93 N99 K100 C101 | I93-T97 PolarHBondContact O-N 3.11Å; T97-N99 PolarHBondContact O-N 2.84Å; T97-N99 VanDerWaalsContact O-N 3.17Å; T97-K100 WeakPolarHBondContact O-CB 3.4Å; T97-K100 PolarHBondContact O-N 2.95Å; T97-K100 WeakPolarHBondContact OG1-CG 3.08Å; T97-K100 PolarHBondContact OG1-N 3.24Å; T97-C101 PolarHBondContact O-N 3.47Å; T97-C101 PolarHBondContact O-SG 2.88Å; T97-C101 VanDerWaalsContact O-SG 3.36Å | ||
| 98 | P | 89.4 | Confident | 88 | Confident | 48 Ų | 48 | 90 Ų | 90 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -52.8 | -40.7 | 176.2 | -28.6 | 36.6 | 0 | 0 | 0 | 112.2 | Y44 C101 M102 | Y44-P98 HydrophobicContact CD1-CG 4.33Å; Y44-P98 HydrophobicContact CD2-CG 4.36Å; Y44-P98 HydrophobicContact CE1-CG 3.83Å; Y44-P98 HydrophobicContact CE2-CG 3.86Å; P98-C101 PolarHBondContact O-N 3.49Å; P98-M102 VanDerWaalsContact O-CG 3.24Å; P98-M102 WeakPolarHBondContact O-CG 2.96Å; P98-M102 PolarHBondContact O-N 3.15Å |
| 99 | N | 91.8 | Very high | 87.2 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 177.3 | -68.2 | -8.2 | 0 | 0 | 0 | 112.6 | T97 C101 M102 Q103 | T97-N99 PolarHBondContact O-N 2.84Å; T97-N99 VanDerWaalsContact O-N 3.17Å; N99-C101 VanDerWaalsContact C-N 3.35Å; N99-M102 PolarHBondContact O-N 2.85Å; N99-Q103 PolarHBondContact O-N 3.23Å |
| 100 | K | 91.9 | Very high | 86.8 | Confident | 87 Ų | 87 | 95 Ų | 95 | 38% | 0.378 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.1 | -78.4 | 178 | 176.9 | 175.2 | 0 | 111 | R94 Y95 T97 M102 Q103 | R94-K100 PolarHBondContact O-NZ 3.36Å; Y95-K100 VanDerWaalsContact O-CD 3.27Å; Y95-K100 WeakPolarHBondContact O-CD 3.23Å; T97-K100 WeakPolarHBondContact O-CB 3.4Å; T97-K100 PolarHBondContact O-N 2.95Å; T97-K100 WeakPolarHBondContact OG1-CG 3.08Å; T97-K100 PolarHBondContact OG1-N 3.24Å; K100-M102 VanDerWaalsContact C-N 3.33Å; K100-M102 PolarHBondContact O-N 3.02Å; K100-Q103 WeakPolarHBondContact O-CB 2.91Å; K100-Q103 PolarHBondContact O-N 3.06Å |
| 101 | C | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | Y37 C40 I41 T97 P98 N99 Q103 Y104 | Y37-C101 VanDerWaalsContact CD2-O 3.27Å; Y37-C101 WeakPolarHBondContact CD2-O 3.39Å; C40-C101 HydrophobicContact CB-CB 3.69Å; C40-C101 WeakPolarHBondContact CB-SG 2.93Å; C40-C101 PolarHBondContact O-SG 3.14Å; C40-C101 WeakPolarHBondContact SG-CA 3.08Å; C40-C101 WeakPolarHBondContact SG-CB 3.49Å; C40-C101 CovalentContact SG-SG 2.05Å; C40-C101 PolarHBondContact SG-SG 3.32Å; I41-C101 HydrophobicContact CD1-CB 3.5Å; I41-C101 VanDerWaalsContact CD1-CB 3.5Å; I41-C101 HydrophobicContact CG1-CB 3.81Å; T97-C101 PolarHBondContact O-N 3.47Å; T97-C101 PolarHBondContact O-SG 2.88Å; T97-C101 VanDerWaalsContact O-SG 3.36Å; P98-C101 PolarHBondContact O-N 3.49Å; N99-C101 VanDerWaalsContact C-N 3.35Å; C101-Q103 PolarHBondContact O-N 2.72Å; C101-Q103 VanDerWaalsContact O-N 3.12Å; C101-Y104 WeakPolarHBondContact O-CB 3.47Å; C101-Y104 WeakPolarHBondContact O-CD2 3.27Å; C101-Y104 PolarHBondContact O-N 2.95Å |
| 102 | M | 89.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -23.6 | 178 | -73.4 | -63.7 | -174.1 | 0 | 0 | 113.8 | Y37 P98 N99 K100 Y104 R105 | Y37-M102 HydrophobicContact CE2-SD 3.96Å; P98-M102 VanDerWaalsContact O-CG 3.24Å; P98-M102 WeakPolarHBondContact O-CG 2.96Å; P98-M102 PolarHBondContact O-N 3.15Å; N99-M102 PolarHBondContact O-N 2.85Å; K100-M102 VanDerWaalsContact C-N 3.33Å; K100-M102 PolarHBondContact O-N 3.02Å; M102-Y104 PolarHBondContact O-N 3.23Å; M102-R105 WeakPolarHBondContact O-CB 3.33Å; M102-R105 PolarHBondContact O-N 2.85Å; M102-R105 HydrophobicContact SD-CB 4.33Å; M102-R105 VanDerWaalsContact SD-CD 3.52Å |
| 103 | Q | 90.4 | Very high | 85.5 | Confident | 150 Ų | 150 | 87 Ų | 87 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.3 | 173.8 | -62.5 | 175 | -11.2 | 0 | 0 | 112.8 | N99 K100 C101 | N99-Q103 PolarHBondContact O-N 3.23Å; K100-Q103 WeakPolarHBondContact O-CB 2.91Å; K100-Q103 PolarHBondContact O-N 3.06Å; C101-Q103 PolarHBondContact O-N 2.72Å; C101-Q103 VanDerWaalsContact O-N 3.12Å |
| 104 | Y | 88.2 | Confident | 85.2 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 35% | 0.349 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.5 | 176.2 | -51.6 | -60 | 0 | 0 | 0 | 113.2 | S33 Q36 C40 C101 M102 P106 | S33-Y104 CarbonylContact C-O 3.4Å; S33-Y104 VanDerWaalsContact O-O 3.09Å; S33-Y104 PolarHBondContact OG-O 3.01Å; Q36-Y104 HydrophobicContact CB-CD1 4.02Å; Q36-Y104 HydrophobicContact CB-CD2 4.42Å; Q36-Y104 HydrophobicContact CB-CG 3.91Å; C40-Y104 HydrophobicContact CB-CD2 4.19Å; C40-Y104 HydrophobicContact CB-CE2 4.31Å; C101-Y104 WeakPolarHBondContact O-CB 3.47Å; C101-Y104 WeakPolarHBondContact O-CD2 3.27Å; C101-Y104 PolarHBondContact O-N 2.95Å; M102-Y104 PolarHBondContact O-N 3.23Å; Y104-P106 VanDerWaalsContact O-CD 3.28Å; Y104-P106 WeakPolarHBondContact O-CD 3.18Å |
| 105 | R | 84.2 | Confident | 84.8 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 31% | 0.306 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 116.8 | -176.9 | -174.4 | 171.1 | 170.5 | -135.1 | -6.4 | 109.5 | Y37 M102 I112 D113 | Y37-R105 HydrophobicContact CD2-CB 3.69Å; Y37-R105 HydrophobicContact CD2-CG 4.38Å; Y37-R105 HydrophobicContact CE2-CB 3.79Å; Y37-R105 HydrophobicContact CE2-CG 4.2Å; Y37-R105 HydrophobicContact CG-CB 4.33Å; M102-R105 WeakPolarHBondContact O-CB 3.33Å; M102-R105 PolarHBondContact O-N 2.85Å; M102-R105 HydrophobicContact SD-CB 4.33Å; M102-R105 VanDerWaalsContact SD-CD 3.52Å; R105-I112 HydrophobicContact CG-CG2 4.19Å; R105-D113 IonicContact CZ-OD1 2.88Å; R105-D113 VanDerWaalsContact CZ-OD1 3.23Å; R105-D113 IonicContact NE-OD1 2.7Å; R105-D113 PolarHBondContact NE-OD1 2.78Å; R105-D113 VanDerWaalsContact NH2-CG 3.32Å; R105-D113 IonicContact NH2-OD1 2.6Å; R105-D113 PolarHBondContact NH2-OD1 3.48Å; R105-D113 IonicContact NH2-OD2 2.91Å; R105-D113 PolarHBondContact NH2-OD2 2.87Å |
| 106 | P | 80 | Confident | 84.7 | Confident | 17 Ų | 17 | 74.7 Ų | 74.7 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 141 | 172 | 27.4 | -32.9 | 0 | 0 | 0 | 110.3 | K30 I34 Y104 K108 I112 | K30-P106 HydrophobicContact CD-CB 4.02Å; I34-P106 HydrophobicContact CD1-CG 4.2Å; I34-P106 HydrophobicContact CG1-CG 3.66Å; Y104-P106 VanDerWaalsContact O-CD 3.28Å; Y104-P106 WeakPolarHBondContact O-CD 3.18Å; P106-K108 PolarHBondContact O-N 3.38Å; P106-I112 VanDerWaalsContact CD-CD1 3.48Å; P106-I112 HydrophobicContact CG-CD1 3.31Å |
| 107 | L | 76 | Confident | 84.5 | Confident | 155 Ų | 155 | 74.8 Ų | 74.8 | 81% | 0.812 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -59 | 136 | -178.3 | -67.2 | 169.5 | 0 | 0 | 0 | 111.7 | ||
| 108 | K | 68 | Low | 84.2 | Confident | 209 Ų | 209 | 77 Ų | 77 | 91% | 0.909 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 52.3 | 68.4 | 169.8 | -62.1 | -177.4 | 178.8 | -179 | 0 | 114.6 | P106 | P106-K108 PolarHBondContact O-N 3.38Š|
| 109 | H | 72.9 | Confident | 84 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | trans | -129.7 | 101.2 | 175.5 | -160.8 | -54.3 | 0 | 0 | 0 | 111.1 | S27 D111 I112 | S27-H109 PolarHBondContact OG-NE2 3.36Å; H109-D111 VanDerWaalsContact C-N 3.26Å; H109-D111 IonicContact CE1-OD2 3.23Å; H109-D111 PolarHBondContact CE1-OD2 3.17Å; H109-D111 PolarHBondContact ND1-N 2.6Å; H109-D111 IonicContact ND1-OD2 3.63Å; H109-D111 PolarHBondContact O-N 2.88Å; H109-I112 HydrophobicContact CB-CB 4.33Å; H109-I112 HydrophobicContact CB-CD1 3.63Å; H109-I112 HydrophobicContact CB-CG1 3.81Å; H109-I112 WeakPolarHBondContact O-CB 3.49Å; H109-I112 PolarHBondContact O-N 3.05Å | ||
| 110 | K | 78.7 | Confident | 83.8 | Confident | 170 Ų | 170 | 71.4 Ų | 71.4 | 74% | 0.739 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.1 | -40.7 | -176.4 | -172.8 | -179 | 178.4 | -176.8 | 0 | 112.9 | I112 D113 V114 | K110-I112 PolarHBondContact O-N 2.05Å; K110-D113 WeakPolarHBondContact O-CB 3.44Å; K110-D113 PolarHBondContact O-N 2.93Å; K110-D113 VanDerWaalsContact O-N 3.08Å; K110-V114 PolarHBondContact O-N 2.98Å |
| 111 | D | 80.4 | Confident | 83.4 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -23.9 | -179.4 | -50.9 | -35.6 | 0 | 0 | 0 | 113.5 | I23 H109 D113 L115 | I23-D111 HydrophobicContact CD1-CB 3.83Å; I23-D111 HydrophobicContact CG1-CB 3.73Å; H109-D111 VanDerWaalsContact C-N 3.26Å; H109-D111 IonicContact CE1-OD2 3.23Å; H109-D111 PolarHBondContact CE1-OD2 3.17Å; H109-D111 PolarHBondContact ND1-N 2.6Å; H109-D111 IonicContact ND1-OD2 3.63Å; H109-D111 PolarHBondContact O-N 2.88Å; D111-D113 VanDerWaalsContact C-N 3.34Å; D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.49Å |
| 112 | I | 82.6 | Confident | 83 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.4 | -33.9 | 175.6 | -62.3 | -178.8 | 0 | 0 | 0 | 110.6 | I34 Y37 R105 P106 H109 K110 L115 H116 | I34-I112 HydrophobicContact CD1-CD1 3.89Å; I34-I112 HydrophobicContact CD1-CG1 4.35Å; I34-I112 HydrophobicContact CG1-CD1 3.68Å; I34-I112 HydrophobicContact CG1-CG1 4.43Å; I34-I112 HydrophobicContact CG2-CD1 4.42Å; I34-I112 HydrophobicContact CG2-CG1 4.42Å; Y37-I112 HydrophobicContact CD1-CG2 3.69Å; Y37-I112 HydrophobicContact CE1-CG2 3.37Å; R105-I112 HydrophobicContact CG-CG2 4.19Å; P106-I112 VanDerWaalsContact CD-CD1 3.48Å; P106-I112 HydrophobicContact CG-CD1 3.31Å; H109-I112 HydrophobicContact CB-CB 4.33Å; H109-I112 HydrophobicContact CB-CD1 3.63Å; H109-I112 HydrophobicContact CB-CG1 3.81Å; H109-I112 WeakPolarHBondContact O-CB 3.49Å; H109-I112 PolarHBondContact O-N 3.05Å; K110-I112 PolarHBondContact O-N 2.05Å; I112-L115 PolarHBondContact O-N 3.4Å; I112-H116 WeakPolarHBondContact O-CB 3.38Å; I112-H116 PolarHBondContact O-N 3.46Å |
| 113 | D | 84.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 177.4 | -61.2 | -22.1 | 0 | 0 | 0 | 110.4 | R105 K110 D111 L115 H116 N117 | R105-D113 IonicContact CZ-OD1 2.88Å; R105-D113 VanDerWaalsContact CZ-OD1 3.23Å; R105-D113 IonicContact NE-OD1 2.7Å; R105-D113 PolarHBondContact NE-OD1 2.78Å; R105-D113 VanDerWaalsContact NH2-CG 3.32Å; R105-D113 IonicContact NH2-OD1 2.6Å; R105-D113 PolarHBondContact NH2-OD1 3.48Å; R105-D113 IonicContact NH2-OD2 2.91Å; R105-D113 PolarHBondContact NH2-OD2 2.87Å; K110-D113 WeakPolarHBondContact O-CB 3.44Å; K110-D113 PolarHBondContact O-N 2.93Å; K110-D113 VanDerWaalsContact O-N 3.08Å; D111-D113 VanDerWaalsContact C-N 3.34Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-L115 PolarHBondContact O-N 2.98Å; D113-H116 PolarHBondContact O-N 3.47Å; D113-N117 WeakPolarHBondContact O-CB 3.48Å; D113-N117 VanDerWaalsContact O-CG 3.29Å; D113-N117 PolarHBondContact O-N 3.27Å; D113-N117 PolarHBondContact O-ND2 3.16Å |
| 114 | V | 84.5 | Confident | 82.2 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | K110 N117 R118 | K110-V114 PolarHBondContact O-N 2.98Å; V114-N117 PolarHBondContact O-N 2.9Å; V114-R118 WeakPolarHBondContact O-CG 3.35Å; V114-R118 PolarHBondContact O-N 3.45Å |
| 115 | L | 83.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 178.7 | -177.4 | 56.2 | 0 | 0 | 0 | 112.4 | V16 T19 K20 I23 V38 D111 I112 D113 R118 I119 | V16-L115 HydrophobicContact CG1-CD1 4.13Å; T19-L115 HydrophobicContact CG2-CB 3.94Å; T19-L115 HydrophobicContact CG2-CD1 3.89Å; T19-L115 HydrophobicContact CG2-CG 4.36Å; K20-L115 HydrophobicContact CG-CD2 4.19Å; I23-L115 HydrophobicContact CD1-CB 4.26Å; I23-L115 HydrophobicContact CD1-CD2 3.84Å; V38-L115 HydrophobicContact CG1-CD2 4.44Å; V38-L115 HydrophobicContact CG2-CD2 3.33Å; V38-L115 HydrophobicContact CG2-CG 4.16Å; D111-L115 WeakPolarHBondContact O-CB 3.44Å; D111-L115 PolarHBondContact O-N 3.49Å; I112-L115 PolarHBondContact O-N 3.4Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-L115 PolarHBondContact O-N 2.98Å; L115-R118 PolarHBondContact O-N 3.48Å; L115-I119 HydrophobicContact CD1-CD1 4.04Å; L115-I119 HydrophobicContact CD1-CG1 4.27Å; L115-I119 HydrophobicContact CG-CD1 3.91Å; L115-I119 WeakPolarHBondContact O-CD1 3.37Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.34Å; L115-I119 PolarHBondContact O-N 2.94Å |
| 116 | H | 87.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 63.5 Ų | 63.5 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.1 | -51 | 175.5 | -175.9 | 114.7 | 0 | 0 | 0 | 110.7 | Y37 W45 I112 D113 R118 I119 F120 | Y37-H116 AromaticContact CZ-ND1 3.78Å; Y37-H116 PolarHBondContact OH-ND1 2.87Å; W45-H116 AromaticContact NE1-NE2 3.92Å; I112-H116 WeakPolarHBondContact O-CB 3.38Å; I112-H116 PolarHBondContact O-N 3.46Å; D113-H116 PolarHBondContact O-N 3.47Å; H116-R118 VanDerWaalsContact C-N 3.32Å; H116-R118 PolarHBondContact O-N 2.97Å; H116-I119 PolarHBondContact O-N 3.38Å; H116-F120 PolarHBondContact O-N 3.22Å |
| 117 | N | 86.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | -178.6 | -70.8 | -13.9 | 0 | 0 | 0 | 111 | D113 V114 I119 F120 H121 | D113-N117 WeakPolarHBondContact O-CB 3.48Å; D113-N117 VanDerWaalsContact O-CG 3.29Å; D113-N117 PolarHBondContact O-N 3.27Å; D113-N117 PolarHBondContact O-ND2 3.16Å; V114-N117 PolarHBondContact O-N 2.9Å; N117-I119 PolarHBondContact O-N 3Å; N117-F120 PolarHBondContact O-N 2.92Å; N117-H121 PolarHBondContact O-CD2 3.28Å; N117-H121 PolarHBondContact O-N 3.22Å |
| 118 | R | 85.4 | Confident | 81.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 175.3 | -73.8 | 178.4 | -175.7 | -131.9 | 11.9 | 112.6 | E15 V16 V114 L115 H116 F120 H121 K122 | E15-R118 IonicContact OE2-CZ 2.58Å; E15-R118 IonicContact OE2-NH1 3.47Å; E15-R118 PolarHBondContact OE2-NH1 3.2Å; V16-R118 HydrophobicContact CG2-CB 4.44Å; V114-R118 WeakPolarHBondContact O-CG 3.35Å; V114-R118 PolarHBondContact O-N 3.45Å; L115-R118 PolarHBondContact O-N 3.48Å; H116-R118 VanDerWaalsContact C-N 3.32Å; H116-R118 PolarHBondContact O-N 2.97Å; R118-F120 VanDerWaalsContact C-N 3.35Å; R118-H121 PolarHBondContact O-N 3.45Å; R118-K122 WeakPolarHBondContact O-CB 3.27Å; R118-K122 PolarHBondContact O-N 3.23Å |
| 119 | I | 85.4 | Confident | 82 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.9 | -67.6 | 161.5 | 0 | 0 | 0 | 110.1 | V16 V38 I41 E42 L115 H116 N117 K122 H123 | V16-I119 HydrophobicContact CG1-CG1 4.26Å; V16-I119 HydrophobicContact CG2-CG1 4.25Å; V38-I119 HydrophobicContact CG1-CD1 3.69Å; I41-I119 HydrophobicContact CG2-CG2 4.06Å; E42-I119 HydrophobicContact CG-CD1 4.06Å; E42-I119 HydrophobicContact CG-CG1 4.3Å; E42-I119 HydrophobicContact CG-CG2 3.97Å; L115-I119 HydrophobicContact CD1-CD1 4.04Å; L115-I119 HydrophobicContact CD1-CG1 4.27Å; L115-I119 HydrophobicContact CG-CD1 3.91Å; L115-I119 WeakPolarHBondContact O-CD1 3.37Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.34Å; L115-I119 PolarHBondContact O-N 2.94Å; H116-I119 PolarHBondContact O-N 3.38Å; N117-I119 PolarHBondContact O-N 3Å; I119-K122 WeakPolarHBondContact O-CB 3.47Å; I119-K122 PolarHBondContact O-N 3.42Å; I119-H123 PolarHBondContact O-CD2 2.77Å; I119-H123 PolarHBondContact O-N 3.39Å; I119-H123 VanDerWaalsContact O-N 3.11Å |
| 120 | F | 86.7 | Confident | 82.1 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 26% | 0.263 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 177.1 | 169.2 | -111.7 | 0 | 0 | 0 | 112 | W45 H116 N117 R118 K122 H123 Q124 | W45-F120 AromaticContact CD2-CD2 3.95Å; W45-F120 HydrophobicContact CD2-CD2 3.95Å; W45-F120 AromaticContact CE2-CD2 3.59Å; W45-F120 AromaticContact CE3-CD2 3.9Å; W45-F120 HydrophobicContact CE3-CD2 3.9Å; W45-F120 HydrophobicContact CE3-CE2 4.29Å; W45-F120 AromaticContact CH2-CD2 3.22Å; W45-F120 HydrophobicContact CH2-CD2 3.22Å; W45-F120 AromaticContact CH2-CE2 3.29Å; W45-F120 HydrophobicContact CH2-CE2 3.29Å; W45-F120 HydrophobicContact CH2-CG 4.4Å; W45-F120 HydrophobicContact CZ2-CB 4.33Å; W45-F120 AromaticContact CZ2-CD2 3.24Å; W45-F120 HydrophobicContact CZ2-CD2 3.24Å; W45-F120 AromaticContact CZ2-CE2 3.82Å; W45-F120 HydrophobicContact CZ2-CE2 3.82Å; W45-F120 HydrophobicContact CZ2-CG 4.08Å; W45-F120 AromaticContact CZ3-CD2 3.56Å; W45-F120 HydrophobicContact CZ3-CD2 3.56Å; W45-F120 AromaticContact CZ3-CE2 3.55Å; W45-F120 HydrophobicContact CZ3-CE2 3.55Å; H116-F120 PolarHBondContact O-N 3.22Å; N117-F120 PolarHBondContact O-N 2.92Å; R118-F120 VanDerWaalsContact C-N 3.35Å; F120-K122 PolarHBondContact O-N 3.3Å; F120-H123 PolarHBondContact O-N 3.09Å; F120-H123 VanDerWaalsContact O-N 3.1Å; F120-Q124 HydrophobicContact CD1-CG 4.45Å; F120-Q124 HydrophobicContact CD2-CG 4.03Å; F120-Q124 HydrophobicContact CE1-CG 3.96Å; F120-Q124 HydrophobicContact CE2-CG 3.5Å; F120-Q124 HydrophobicContact CG-CG 4.5Å; F120-Q124 HydrophobicContact CZ-CG 3.47Å; F120-Q124 VanDerWaalsContact CZ-CG 3.47Å; F120-Q124 PolarHBondContact O-N 2.81Å |
| 121 | H | 84.4 | Confident | 82.2 | Confident | 106 Ų | 106 | 46.7 Ų | 46.7 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 179.6 | -75.5 | -63 | 0 | 0 | 0 | 112.4 | N117 R118 H123 Q124 E125 | N117-H121 PolarHBondContact O-CD2 3.28Å; N117-H121 PolarHBondContact O-N 3.22Å; R118-H121 PolarHBondContact O-N 3.45Å; H121-H123 PolarHBondContact O-N 3.22Å; H121-Q124 PolarHBondContact O-N 3.02Å; H121-E125 WeakPolarHBondContact O-CG 3.35Å; H121-E125 PolarHBondContact O-N 3.01Å |
| 122 | K | 83.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.3 | -47.4 | 172.3 | -179.4 | 178.8 | 171.8 | -177.5 | 0 | 111.6 | I12 V16 R118 I119 F120 I126 | I12-K122 HydrophobicContact CB-CG 4.22Å; I12-K122 HydrophobicContact CG2-CB 3.35Å; I12-K122 HydrophobicContact CG2-CD 3.93Å; I12-K122 HydrophobicContact CG2-CG 3.48Å; I12-K122 VanDerWaalsContact CG2-CG 3.48Å; V16-K122 HydrophobicContact CG2-CD 4.25Å; R118-K122 WeakPolarHBondContact O-CB 3.27Å; R118-K122 PolarHBondContact O-N 3.23Å; I119-K122 WeakPolarHBondContact O-CB 3.47Å; I119-K122 PolarHBondContact O-N 3.42Å; F120-K122 PolarHBondContact O-N 3.3Å; K122-I126 HydrophobicContact CG-CD1 3.95Å; K122-I126 WeakPolarHBondContact O-CB 3.43Å; K122-I126 WeakPolarHBondContact O-CD1 3.5Å; K122-I126 WeakPolarHBondContact O-CG1 3.33Å; K122-I126 PolarHBondContact O-N 3.45Å; K122-I126 VanDerWaalsContact O-N 3.07Å |
| 123 | H | 82 | Confident | 81.9 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.7 | -43.3 | -179.9 | -82.7 | -71.3 | 0 | 0 | 0 | 111.1 | W45 Q46 N49 I119 F120 H121 E125 I126 L127 | W45-H123 HydrophobicContact CB-CB 3.93Å; W45-H123 WeakPolarHBondContact CB-CD2 3.39Å; Q46-H123 VanDerWaalsContact CA-CE1 3.49Å; Q46-H123 WeakPolarHBondContact CA-CE1 3.07Å; Q46-H123 PolarHBondContact N-CE1 3.23Å; N49-H123 VanDerWaalsContact ND2-CA 3.27Å; N49-H123 WeakPolarHBondContact ND2-CA 3.5Å; N49-H123 VanDerWaalsContact ND2-CB 3.3Å; N49-H123 WeakPolarHBondContact ND2-CB 3.35Å; N49-H123 PolarHBondContact ND2-ND1 3.12Å; N49-H123 PolarHBondContact ND2-O 2.97Å; I119-H123 PolarHBondContact O-CD2 2.77Å; I119-H123 PolarHBondContact O-N 3.39Å; I119-H123 VanDerWaalsContact O-N 3.11Å; F120-H123 PolarHBondContact O-N 3.09Å; F120-H123 VanDerWaalsContact O-N 3.1Å; H121-H123 PolarHBondContact O-N 3.22Å; H123-E125 VanDerWaalsContact C-N 3.33Å; H123-E125 PolarHBondContact O-N 2.8Å; H123-I126 PolarHBondContact O-N 3.02Å; H123-L127 PolarHBondContact O-N 3.37Å |
| 124 | Q | 81.7 | Confident | 81.8 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.6 | -69.2 | -60.8 | -62.2 | 0 | 0 | 113 | F120 H121 L127 L128 | F120-Q124 HydrophobicContact CD1-CG 4.45Å; F120-Q124 HydrophobicContact CD2-CG 4.03Å; F120-Q124 HydrophobicContact CE1-CG 3.96Å; F120-Q124 HydrophobicContact CE2-CG 3.5Å; F120-Q124 HydrophobicContact CG-CG 4.5Å; F120-Q124 HydrophobicContact CZ-CG 3.47Å; F120-Q124 VanDerWaalsContact CZ-CG 3.47Å; F120-Q124 PolarHBondContact O-N 2.81Å; H121-Q124 PolarHBondContact O-N 3.02Å; Q124-L127 WeakPolarHBondContact O-CB 3.28Å; Q124-L127 PolarHBondContact O-N 3.43Å; Q124-L128 WeakPolarHBondContact O-CG 3.06Å; Q124-L128 PolarHBondContact O-N 3.45Å |
| 125 | E | 79.8 | Confident | 81.6 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 41% | 0.407 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.1 | -69.7 | 170.5 | 145.9 | 0 | 0 | 111.6 | I12 H121 H123 L127 L128 L129 | I12-E125 HydrophobicContact CD1-CB 4.48Å; I12-E125 WeakPolarHBondContact CD1-OE2 3.34Å; H121-E125 WeakPolarHBondContact O-CG 3.35Å; H121-E125 PolarHBondContact O-N 3.01Å; H123-E125 VanDerWaalsContact C-N 3.33Å; H123-E125 PolarHBondContact O-N 2.8Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.29Å; E125-L128 PolarHBondContact O-N 2.87Å; E125-L129 WeakPolarHBondContact O-CB 3.47Å; E125-L129 WeakPolarHBondContact O-CD1 3.4Å; E125-L129 VanDerWaalsContact O-CG 3.22Å; E125-L129 WeakPolarHBondContact O-CG 3.35Å; E125-L129 PolarHBondContact O-N 2.84Å |
| 126 | I | 77 | Confident | 81.3 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.3 | -71.1 | 168 | 0 | 0 | 0 | 111 | K122 H123 N130 | K122-I126 HydrophobicContact CG-CD1 3.95Å; K122-I126 WeakPolarHBondContact O-CB 3.43Å; K122-I126 WeakPolarHBondContact O-CD1 3.5Å; K122-I126 WeakPolarHBondContact O-CG1 3.33Å; K122-I126 PolarHBondContact O-N 3.45Å; K122-I126 VanDerWaalsContact O-N 3.07Å; H123-I126 PolarHBondContact O-N 3.02Å; I126-N130 VanDerWaalsContact CG2-ND2 3.27Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.37Å; I126-N130 WeakPolarHBondContact O-CB 3.38Å; I126-N130 PolarHBondContact O-N 3.23Å; I126-N130 PolarHBondContact O-ND2 3.49Å |
| 127 | L | 77.8 | Confident | 80.9 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -55.6 | 179 | 168.3 | 63.4 | 0 | 0 | 0 | 110.7 | D52 I53 H123 Q124 E125 L129 N130 I131 | D52-L127 HydrophobicContact CB-CD1 3.93Å; D52-L127 HydrophobicContact CB-CD2 4.13Å; I53-L127 HydrophobicContact CB-CD1 4.36Å; I53-L127 HydrophobicContact CD1-CD1 4.48Å; I53-L127 HydrophobicContact CG1-CD1 3.45Å; I53-L127 VanDerWaalsContact CG1-CD1 3.45Å; H123-L127 PolarHBondContact O-N 3.37Å; Q124-L127 WeakPolarHBondContact O-CB 3.28Å; Q124-L127 PolarHBondContact O-N 3.43Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 3.29Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.19Å; L127-N130 PolarHBondContact O-N 3.08Å; L127-I131 HydrophobicContact CD1-CG1 4.19Å; L127-I131 PolarHBondContact O-N 2.94Å; L127-I131 VanDerWaalsContact O-N 3.08Å |
| 128 | L | 79.6 | Confident | 80.6 | Confident | 110 Ų | 110 | 53.9 Ų | 53.9 | 58% | 0.576 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.8 | -47.9 | -178.2 | -69.2 | 172 | 0 | 0 | 0 | 111.6 | Q124 E125 N130 I131 D132 | Q124-L128 WeakPolarHBondContact O-CG 3.06Å; Q124-L128 PolarHBondContact O-N 3.45Å; E125-L128 PolarHBondContact O-N 2.87Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.4Å; L128-I131 PolarHBondContact O-N 3.36Å; L128-D132 PolarHBondContact O-N 3.2Å |
| 129 | L | 77.4 | Confident | 80.2 | Confident | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 179.4 | -70.6 | 167.1 | 0 | 0 | 0 | 112.4 | V4 E125 L127 I131 L133 | V4-L129 HydrophobicContact CG1-CD1 3.74Å; V4-L129 HydrophobicContact CG2-CB 4.02Å; V4-L129 HydrophobicContact CG2-CD1 4.25Å; E125-L129 WeakPolarHBondContact O-CB 3.47Å; E125-L129 WeakPolarHBondContact O-CD1 3.4Å; E125-L129 VanDerWaalsContact O-CG 3.22Å; E125-L129 WeakPolarHBondContact O-CG 3.35Å; E125-L129 PolarHBondContact O-N 2.84Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.19Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.37Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.09Å; L129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | N | 76.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 178.6 | -81.3 | -62.4 | 0 | 0 | 0 | 112.2 | I53 I126 L127 L128 F134 | I53-N130 HydrophobicContact CD1-CB 3.7Å; I53-N130 HydrophobicContact CG1-CB 4.1Å; I126-N130 VanDerWaalsContact CG2-ND2 3.27Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.37Å; I126-N130 WeakPolarHBondContact O-CB 3.38Å; I126-N130 PolarHBondContact O-N 3.23Å; I126-N130 PolarHBondContact O-ND2 3.49Å; L127-N130 PolarHBondContact O-N 3.08Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.4Å; N130-F134 VanDerWaalsContact O-CB 3.29Å; N130-F134 WeakPolarHBondContact O-CB 3.27Å; N130-F134 PolarHBondContact O-N 3.43Å |
| 131 | I | 79.6 | Confident | 79.3 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 178.3 | -69.3 | -52.6 | 0 | 0 | 0 | 112.2 | I53 E56 V60 L127 L128 L129 L133 F134 K135 | I53-I131 HydrophobicContact CB-CD1 4.35Å; I53-I131 HydrophobicContact CG1-CD1 4.5Å; I53-I131 HydrophobicContact CG2-CD1 4.07Å; I53-I131 WeakPolarHBondContact O-CD1 3.48Å; E56-I131 HydrophobicContact CB-CD1 3.44Å; E56-I131 VanDerWaalsContact CB-CD1 3.44Å; E56-I131 HydrophobicContact CB-CG1 3.76Å; E56-I131 HydrophobicContact CB-CG2 4.42Å; E56-I131 HydrophobicContact CG-CG1 4.45Å; V60-I131 HydrophobicContact CG2-CG2 4.5Å; L127-I131 HydrophobicContact CD1-CG1 4.19Å; L127-I131 PolarHBondContact O-N 2.94Å; L127-I131 VanDerWaalsContact O-N 3.08Å; L128-I131 PolarHBondContact O-N 3.36Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.37Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 PolarHBondContact O-N 3.1Å; I131-F134 PolarHBondContact O-N 2.77Å; I131-K135 WeakPolarHBondContact O-CB 3.21Å; I131-K135 PolarHBondContact O-N 3.47Å |
| 132 | D | 79.1 | Confident | 78.8 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 176 | -72.8 | -23.2 | 0 | 0 | 0 | 111 | L128 K135 H136 | L128-D132 PolarHBondContact O-N 3.2Å; D132-K135 PolarHBondContact O-N 2.8Å; D132-H136 PolarHBondContact O-CD2 3.44Å; D132-H136 PolarHBondContact O-N 2.89Å |
| 133 | L | 77.3 | Confident | 78.3 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.9 | -72.7 | 173.4 | 0 | 0 | 0 | 112.3 | V2 V4 L129 I131 K135 H136 Q137 | V2-L133 WeakPolarHBondContact O-CD2 3.46Å; V4-L133 HydrophobicContact CG2-CD1 3.64Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.09Å; L129-L133 VanDerWaalsContact O-N 3.08Å; I131-L133 VanDerWaalsContact C-N 3.3Å; I131-L133 PolarHBondContact O-N 3.1Å; L133-K135 VanDerWaalsContact C-N 3.35Å; L133-K135 PolarHBondContact O-N 3.48Å; L133-H136 PolarHBondContact O-N 3.49Å; L133-Q137 WeakPolarHBondContact O-CB 3.3Å; L133-Q137 PolarHBondContact O-N 2.99Å |
| 134 | F | 82.8 | Confident | 78 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 176.8 | 174.1 | -96.7 | 0 | 0 | 0 | 111 | S57 V60 I61 F82 N130 I131 H136 Q137 F138 I170 | S57-F134 VanDerWaalsContact CB-CD1 3.48Å; S57-F134 VanDerWaalsContact CB-CE1 3.45Å; S57-F134 WeakPolarHBondContact O-CE1 3.38Å; S57-F134 VanDerWaalsContact OG-CD1 3.24Å; S57-F134 WeakPolarHBondContact OG-CD1 3.36Å; S57-F134 VanDerWaalsContact OG-CG 3.3Å; S57-F134 WeakPolarHBondContact OG-CG 3.28Å; V60-F134 HydrophobicContact CB-CD1 4.39Å; V60-F134 HydrophobicContact CB-CE1 4.23Å; V60-F134 HydrophobicContact CG1-CD1 4.21Å; V60-F134 HydrophobicContact CG1-CE1 4.06Å; I61-F134 HydrophobicContact CD1-CZ 3.95Å; I61-F134 HydrophobicContact CG1-CE1 4.04Å; I61-F134 HydrophobicContact CG1-CZ 3.86Å; F82-F134 HydrophobicContact CE2-CE2 4.43Å; F82-F134 HydrophobicContact CE2-CZ 4.05Å; F82-F134 AromaticContact CZ-CE2 3.71Å; F82-F134 HydrophobicContact CZ-CE2 3.71Å; F82-F134 AromaticContact CZ-CZ 3.78Å; F82-F134 HydrophobicContact CZ-CZ 3.78Å; N130-F134 VanDerWaalsContact O-CB 3.29Å; N130-F134 WeakPolarHBondContact O-CB 3.27Å; N130-F134 PolarHBondContact O-N 3.43Å; I131-F134 PolarHBondContact O-N 2.77Å; F134-H136 VanDerWaalsContact C-N 3.34Å; F134-H136 PolarHBondContact O-N 3.25Å; F134-Q137 PolarHBondContact O-N 3.29Å; F134-F138 HydrophobicContact CE1-CB 4.27Å; F134-F138 HydrophobicContact CZ-CB 4.14Å; F134-F138 HydrophobicContact CZ-CD2 4.47Å; F134-F138 HydrophobicContact CZ-CG 4.24Å; F134-F138 VanDerWaalsContact O-CB 3.29Å; F134-F138 WeakPolarHBondContact O-CB 3.47Å; F134-F138 PolarHBondContact O-N 2.58Å; F134-I170 HydrophobicContact CB-CD1 4.4Å; F134-I170 HydrophobicContact CD2-CD1 4.4Å |
| 135 | K | 80 | Confident | 77.3 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 178.3 | -179.6 | 178.9 | 178.9 | -179 | 0 | 111.7 | V60 I131 D132 L133 L139 | V60-K135 HydrophobicContact CG1-CB 3.9Å; V60-K135 HydrophobicContact CG1-CG 3.89Å; V60-K135 HydrophobicContact CG2-CB 4.48Å; I131-K135 WeakPolarHBondContact O-CB 3.21Å; I131-K135 PolarHBondContact O-N 3.47Å; D132-K135 PolarHBondContact O-N 2.8Å; L133-K135 VanDerWaalsContact C-N 3.35Å; L133-K135 PolarHBondContact O-N 3.48Å; K135-L139 HydrophobicContact CG-CD1 4.36Å; K135-L139 WeakPolarHBondContact O-CG 3.36Å; K135-L139 PolarHBondContact O-N 2.89Å; K135-L139 VanDerWaalsContact O-N 3.12Å |
| 136 | H | 77.7 | Confident | 76.8 | Confident | 124 Ų | 124 | 60.6 Ų | 60.6 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 178 | -76.6 | -58.4 | 0 | 0 | 0 | 112.5 | D132 L133 F134 L139 I140 | D132-H136 PolarHBondContact O-CD2 3.44Å; D132-H136 PolarHBondContact O-N 2.89Å; L133-H136 PolarHBondContact O-N 3.49Å; F134-H136 VanDerWaalsContact C-N 3.34Å; F134-H136 PolarHBondContact O-N 3.25Å; H136-L139 PolarHBondContact O-N 3.26Å; H136-I140 WeakPolarHBondContact O-CG1 3.46Å; H136-I140 PolarHBondContact O-N 3.46Å; H136-I140 VanDerWaalsContact O-N 3.14Å |
| 137 | Q | 78.2 | Confident | 76 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | -179.7 | -176.2 | 56.6 | 48.5 | 0 | 0 | 111.4 | L133 F134 L139 I140 D141 | L133-Q137 WeakPolarHBondContact O-CB 3.3Å; L133-Q137 PolarHBondContact O-N 2.99Å; F134-Q137 PolarHBondContact O-N 3.29Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.02Å; Q137-I140 WeakPolarHBondContact O-CB 3.42Å; Q137-I140 PolarHBondContact O-N 2.78Å; Q137-I140 VanDerWaalsContact O-N 3.14Å; Q137-D141 PolarHBondContact NE2-OD1 2.79Å; Q137-D141 PolarHBondContact NE2-OD2 3.25Å; Q137-D141 PolarHBondContact O-N 3.49Å |
| 138 | F | 81.6 | Confident | 74.6 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.7 | -175.3 | -116.8 | 0 | 0 | 0 | 112.1 | I61 I64 A75 L78 F134 I140 D141 I142 | I61-F138 HydrophobicContact CB-CE1 3.98Å; I61-F138 HydrophobicContact CB-CZ 4.15Å; I61-F138 HydrophobicContact CD1-CZ 4.49Å; I61-F138 HydrophobicContact CG1-CD1 4.06Å; I61-F138 HydrophobicContact CG1-CD2 4.46Å; I61-F138 HydrophobicContact CG1-CE1 3.69Å; I61-F138 HydrophobicContact CG1-CE2 4.14Å; I61-F138 HydrophobicContact CG1-CG 4.43Å; I61-F138 HydrophobicContact CG1-CZ 3.75Å; I61-F138 HydrophobicContact CG2-CE1 3.94Å; I61-F138 HydrophobicContact CG2-CZ 3.73Å; I64-F138 HydrophobicContact CB-CE1 4.36Å; I64-F138 HydrophobicContact CD1-CD1 3.74Å; I64-F138 HydrophobicContact CD1-CE1 4.2Å; I64-F138 HydrophobicContact CG2-CE1 4.25Å; A75-F138 HydrophobicContact CB-CE2 4.36Å; A75-F138 HydrophobicContact CB-CZ 3.93Å; L78-F138 HydrophobicContact CD1-CD2 3.82Å; L78-F138 HydrophobicContact CD1-CE2 3.81Å; F134-F138 HydrophobicContact CE1-CB 4.27Å; F134-F138 HydrophobicContact CZ-CB 4.14Å; F134-F138 HydrophobicContact CZ-CD2 4.47Å; F134-F138 HydrophobicContact CZ-CG 4.24Å; F134-F138 VanDerWaalsContact O-CB 3.29Å; F134-F138 WeakPolarHBondContact O-CB 3.47Å; F134-F138 PolarHBondContact O-N 2.58Å; F138-I140 PolarHBondContact O-N 2.91Å; F138-D141 PolarHBondContact O-N 2.7Å; F138-I142 HydrophobicContact CD1-CD1 3.73Å; F138-I142 HydrophobicContact CE1-CD1 3.27Å; F138-I142 HydrophobicContact CE1-CG1 4.19Å; F138-I142 HydrophobicContact CE2-CD1 4.13Å; F138-I142 HydrophobicContact CE2-CG1 4.19Å; F138-I142 HydrophobicContact CG-CD1 4.33Å; F138-I142 HydrophobicContact CZ-CD1 3.49Å; F138-I142 VanDerWaalsContact CZ-CD1 3.49Å; F138-I142 HydrophobicContact CZ-CG1 3.99Å; F138-I142 VanDerWaalsContact O-CG1 3.3Å; F138-I142 WeakPolarHBondContact O-CG1 3.46Å; F138-I142 PolarHBondContact O-N 2.65Å |
| 139 | L | 76.3 | Confident | 73.1 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.9 | -74.6 | 170.2 | 0 | 0 | 0 | 112.3 | I64 Y68 K135 H136 Q137 D141 I142 M143 | I64-L139 HydrophobicContact CD1-CD2 3.65Å; I64-L139 HydrophobicContact CD1-CG 3.87Å; I64-L139 HydrophobicContact CG1-CD2 4.08Å; I64-L139 HydrophobicContact CG2-CD2 4.1Å; Y68-L139 HydrophobicContact CE2-CD2 4.4Å; K135-L139 HydrophobicContact CG-CD1 4.36Å; K135-L139 WeakPolarHBondContact O-CG 3.36Å; K135-L139 PolarHBondContact O-N 2.89Å; K135-L139 VanDerWaalsContact O-N 3.12Å; H136-L139 PolarHBondContact O-N 3.26Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.02Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.4Å; L139-I142 PolarHBondContact O-N 3.33Å; L139-M143 VanDerWaalsContact O-CG 3.3Å; L139-M143 WeakPolarHBondContact O-CG 3.38Å; L139-M143 PolarHBondContact O-N 3.2Å |
| 140 | I | 77.9 | Confident | 71.7 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.8 | -69.8 | 166.2 | 0 | 0 | 0 | 110.8 | H136 Q137 F138 M143 K144 | H136-I140 WeakPolarHBondContact O-CG1 3.46Å; H136-I140 PolarHBondContact O-N 3.46Å; H136-I140 VanDerWaalsContact O-N 3.14Å; Q137-I140 WeakPolarHBondContact O-CB 3.42Å; Q137-I140 PolarHBondContact O-N 2.78Å; Q137-I140 VanDerWaalsContact O-N 3.14Å; F138-I140 PolarHBondContact O-N 2.91Å; I140-M143 PolarHBondContact O-N 3.22Å; I140-K144 HydrophobicContact CG2-CD 4.27Å; I140-K144 WeakPolarHBondContact O-CG 3.45Å; I140-K144 PolarHBondContact O-N 2.98Å |
| 141 | D | 75.5 | Confident | 70.4 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.6 | -37.7 | -177.8 | -67 | -27.1 | 0 | 0 | 0 | 111.7 | L74 Q137 F138 L139 M143 K144 E145 | L74-D141 HydrophobicContact CD2-CB 3.84Å; Q137-D141 PolarHBondContact NE2-OD1 2.79Å; Q137-D141 PolarHBondContact NE2-OD2 3.25Å; Q137-D141 PolarHBondContact O-N 3.49Å; F138-D141 PolarHBondContact O-N 2.7Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.4Å; D141-M143 VanDerWaalsContact C-N 3.35Å; D141-M143 PolarHBondContact O-N 2.94Å; D141-K144 PolarHBondContact O-N 2.94Å; D141-K144 IonicContact OD1-NZ 2.61Å; D141-E145 PolarHBondContact O-N 3.44Å |
| 142 | I | 74 | Confident | 68.7 | Low | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 168.6 | -69.9 | 172.3 | 0 | 0 | 0 | 110.4 | I64 I70 V72 F138 L139 K144 E145 M146 | I64-I142 HydrophobicContact CG2-CD1 3.5Å; I70-I142 HydrophobicContact CD1-CD1 4.27Å; I70-I142 HydrophobicContact CD1-CG2 3.62Å; V72-I142 HydrophobicContact CG1-CG1 4.47Å; V72-I142 HydrophobicContact CG2-CD1 4.45Å; V72-I142 HydrophobicContact CG2-CG1 4.13Å; V72-I142 HydrophobicContact CG2-CG2 4.43Å; F138-I142 HydrophobicContact CD1-CD1 3.73Å; F138-I142 HydrophobicContact CE1-CD1 3.27Å; F138-I142 HydrophobicContact CE1-CG1 4.19Å; F138-I142 HydrophobicContact CE2-CD1 4.13Å; F138-I142 HydrophobicContact CE2-CG1 4.19Å; F138-I142 HydrophobicContact CG-CD1 4.33Å; F138-I142 HydrophobicContact CZ-CD1 3.49Å; F138-I142 VanDerWaalsContact CZ-CD1 3.49Å; F138-I142 HydrophobicContact CZ-CG1 3.99Å; F138-I142 VanDerWaalsContact O-CG1 3.3Å; F138-I142 WeakPolarHBondContact O-CG1 3.46Å; F138-I142 PolarHBondContact O-N 2.65Å; L139-I142 PolarHBondContact O-N 3.33Å; I142-K144 PolarHBondContact O-N 3.31Å; I142-E145 PolarHBondContact O-N 2.97Å; I142-M146 HydrophobicContact CG2-CG 4.29Å; I142-M146 HydrophobicContact CG2-SD 3.86Å; I142-M146 VanDerWaalsContact O-CG 3.29Å; I142-M146 WeakPolarHBondContact O-CG 3.41Å; I142-M146 PolarHBondContact O-N 3.48Å |
| 143 | M | 73.3 | Confident | 67.3 | Low | 122 Ų | 122 | 76.7 Ų | 76.7 | 60% | 0.601 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.1 | -35.4 | 179.3 | -72.7 | 177.3 | 70.2 | 0 | 0 | 112.1 | L139 I140 D141 N147 | L139-M143 VanDerWaalsContact O-CG 3.3Å; L139-M143 WeakPolarHBondContact O-CG 3.38Å; L139-M143 PolarHBondContact O-N 3.2Å; I140-M143 PolarHBondContact O-N 3.22Å; D141-M143 VanDerWaalsContact C-N 3.35Å; D141-M143 PolarHBondContact O-N 2.94Å; M143-N147 PolarHBondContact O-N 3.28Å; M143-N147 PolarHBondContact O-ND2 2.8Å |
| 144 | K | 74.6 | Confident | 65.7 | Low | 116 Ų | 116 | 77.7 Ų | 77.7 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.4 | -45.5 | 175.2 | -72.5 | 172 | -175.9 | 167.3 | 0 | 111.9 | I140 D141 I142 M146 N147 S148 | I140-K144 HydrophobicContact CG2-CD 4.27Å; I140-K144 WeakPolarHBondContact O-CG 3.45Å; I140-K144 PolarHBondContact O-N 2.98Å; D141-K144 PolarHBondContact O-N 2.94Å; D141-K144 IonicContact OD1-NZ 2.61Å; I142-K144 PolarHBondContact O-N 3.31Å; K144-M146 VanDerWaalsContact C-N 3.29Å; K144-M146 PolarHBondContact O-N 2.91Å; K144-N147 CarbonylContact O-C 3.5Å; K144-N147 WeakPolarHBondContact O-CA 3.31Å; K144-N147 PolarHBondContact O-N 2.76Å; K144-S148 PolarHBondContact O-N 3.37Å |
| 145 | E | 69.1 | Low | 64.1 | Low | 38 Ų | 38 | 80 Ų | 80 | 18% | 0.178 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 178.8 | -83.3 | -166.1 | -178.9 | 0 | 0 | 112.6 | V72 L74 D141 I142 N147 S148 S150 | V72-E145 WeakPolarHBondContact CG1-OE2 3.38Å; L74-E145 WeakPolarHBondContact CB-OE1 3.38Å; D141-E145 PolarHBondContact O-N 3.44Å; I142-E145 PolarHBondContact O-N 2.97Å; E145-N147 PolarHBondContact O-N 3.41Å; E145-S148 WeakPolarHBondContact CA-O 3.32Å; E145-S148 CarbonylContact O-C 3.53Å; E145-S148 PolarHBondContact O-N 3.02Å; E145-S150 WeakPolarHBondContact CG-OG 3.34Å; E145-S150 PolarHBondContact OE1-OG 2.9Å |
| 146 | M | 67.4 | Low | 62.4 | Low | 136 Ų | 136 | 77.4 Ų | 77.4 | 67% | 0.67 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.2 | -22.3 | 173 | -69.8 | 179.8 | 75 | 0 | 0 | 113 | I142 K144 | I142-M146 HydrophobicContact CG2-CG 4.29Å; I142-M146 HydrophobicContact CG2-SD 3.86Å; I142-M146 VanDerWaalsContact O-CG 3.29Å; I142-M146 WeakPolarHBondContact O-CG 3.41Å; I142-M146 PolarHBondContact O-N 3.48Å; K144-M146 VanDerWaalsContact C-N 3.29Å; K144-M146 PolarHBondContact O-N 2.91Å |
| 147 | N | 61.4 | Low | 61 | Low | 134 Ų | 134 | 76.4 Ų | 76.4 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -100.8 | -21.4 | 179.3 | -71.6 | -50.3 | 0 | 0 | 0 | 113.6 | M143 K144 E145 | M143-N147 PolarHBondContact O-N 3.28Å; M143-N147 PolarHBondContact O-ND2 2.8Å; K144-N147 CarbonylContact O-C 3.5Å; K144-N147 WeakPolarHBondContact O-CA 3.31Å; K144-N147 PolarHBondContact O-N 2.76Å; E145-N147 PolarHBondContact O-N 3.41Å |
| 148 | S | 47.7 | Very low | 59 | Low | 81 Ų | 81 | 82 Ų | 82 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -161.3 | 131.9 | 178.4 | -76.2 | 0 | 0 | 0 | 0 | 111.3 | K144 E145 S150 | K144-S148 PolarHBondContact O-N 3.37Å; E145-S148 WeakPolarHBondContact CA-O 3.32Å; E145-S148 CarbonylContact O-C 3.53Å; E145-S148 PolarHBondContact O-N 3.02Å; S148-S150 PolarHBondContact O-N 3.34Å |
| 149 | P | 48.8 | Very low | 56.8 | Low | 138 Ų | 138 | 85.9 Ų | 85.9 | 90% | 0.896 | 48% | 0.481 | S | S | * | . | trans | -66.7 | 122.2 | 178.8 | -12.8 | 26.2 | 0 | 0 | 0 | 111.6 | ||||
| 150 | S | 47.4 | Very low | 55 | Low | 78 Ų | 78 | 85.2 Ų | 85.2 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -106.3 | 163.5 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 115.4 | E145 S148 | E145-S150 WeakPolarHBondContact CG-OG 3.34Å; E145-S150 PolarHBondContact OE1-OG 2.9Å; S148-S150 PolarHBondContact O-N 3.34Å | ||
| 151 | G | 48.3 | Very low | 52.9 | Low | 60 Ų | 60 | 86.3 Ų | 86.3 | 62% | 0.619 | 48% | 0.484 | S | S | * | . | trans | -83.3 | -160.7 | -162 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 152 | N | 44.9 | Very low | 50.8 | Low | 149 Ų | 149 | 92.2 Ų | 92.2 | 80% | 0.797 | 52% | 0.516 | S | S | * | . | trans | -85.8 | 147.5 | -168.7 | -87.5 | -25 | 0 | 0 | 0 | 114.3 | K77 | K77-N152 PolarHBondContact NZ-OD1 3.07Š| ||
| 153 | I | 50.2 | Low | 48.8 | Very low | 46 Ų | 46 | 93.1 Ų | 93.1 | 24% | 0.236 | 52% | 0.522 | C | S | . | . | trans | -116.7 | 136.4 | 175.7 | -64.6 | -177.6 | 0 | 0 | 0 | 108.6 | L74 | L74-I153 HydrophobicContact CD1-CD1 3.09Å; L74-I153 HydrophobicContact CD1-CG1 4.39Å | ||
| 154 | D | 43.4 | Very low | 46.9 | Very low | 88 Ų | 88 | 89.8 Ų | 89.8 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | trans | -99.8 | 130.4 | 172.4 | -179.9 | 8.4 | 0 | 0 | 0 | 110.4 | S156 N159 | D154-S156 WeakPolarHBondContact OD1-CB 3.42Å; D154-S156 PolarHBondContact OD1-N 3.46Å; D154-S156 PolarHBondContact OD1-OG 3.39Å; D154-S156 PolarHBondContact OD2-OG 3.25Å; D154-N159 PolarHBondContact OD2-ND2 3.45Å | ||
| 155 | C | 49.5 | Very low | 45.1 | Very low | 56 Ų | 56 | 92.2 Ų | 92.2 | 38% | 0.378 | 52% | 0.522 | S | S | . | . | trans | -97.3 | 5.8 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | C81 | C81-C155 HydrophobicContact CB-CB 4.13Å; C81-C155 WeakPolarHBondContact CB-SG 3.22Å; C81-C155 WeakPolarHBondContact SG-CB 3.39Å; C81-C155 CovalentContact SG-SG 2.07Å; C81-C155 PolarHBondContact SG-SG 3.1Å | ||
| 156 | S | 44.7 | Very low | 43.6 | Very low | 46 Ų | 46 | 91.1 Ų | 91.1 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | trans | -65.2 | 137.1 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | D154 E158 N159 | D154-S156 WeakPolarHBondContact OD1-CB 3.42Å; D154-S156 PolarHBondContact OD1-N 3.46Å; D154-S156 PolarHBondContact OD1-OG 3.39Å; D154-S156 PolarHBondContact OD2-OG 3.25Å; S156-E158 PolarHBondContact O-N 3.08Å; S156-N159 PolarHBondContact O-N 3.15Å; S156-N159 WeakPolarHBondContact OG-CB 3.14Å; S156-N159 PolarHBondContact OG-ND2 3.41Å; S156-N159 VanDerWaalsContact OG-ND2 3.16Å | ||
| 157 | L | 47.3 | Very low | 42.2 | Very low | 102 Ų | 102 | 85.3 Ų | 85.3 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -61.7 | -27.9 | -179.4 | -79.5 | 160.4 | 0 | 0 | 0 | 112.9 | L160 | L157-L160 WeakPolarHBondContact O-CD1 3.37Å; L157-L160 WeakPolarHBondContact O-CG 3.28Å |
| 158 | E | 36.7 | Very low | 41 | Very low | 172 Ų | 172 | 79.6 Ų | 79.6 | 80% | 0.804 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -81.1 | -30.6 | -177.1 | -67.5 | -178.4 | 170.4 | 0 | 0 | 112.6 | S156 L160 | S156-E158 PolarHBondContact O-N 3.08Å; E158-L160 PolarHBondContact O-N 3.02Å; E158-L160 VanDerWaalsContact O-N 3.15Å |
| 159 | N | 35.4 | Very low | 40.3 | Very low | 84 Ų | 84 | 78.2 Ų | 78.2 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -81.7 | 16.6 | 177.1 | -73 | -26.9 | 0 | 0 | 0 | 113.7 | D154 S156 D161 N162 P163 | D154-N159 PolarHBondContact OD2-ND2 3.45Å; S156-N159 PolarHBondContact O-N 3.15Å; S156-N159 WeakPolarHBondContact OG-CB 3.14Å; S156-N159 PolarHBondContact OG-ND2 3.41Å; S156-N159 VanDerWaalsContact OG-ND2 3.16Å; N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 VanDerWaalsContact O-N 3.16Å; N159-N162 CarbonylContact O-C 3.48Å; N159-N162 PolarHBondContact O-N 3.05Å; N159-P163 WeakPolarHBondContact O-CD 3.23Å |
| 160 | L | 38.3 | Very low | 39.9 | Very low | 33 Ų | 33 | 72.4 Ų | 72.4 | 17% | 0.173 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -66.1 | -7.2 | 170 | -77 | 174.9 | 0 | 0 | 0 | 114.2 | L157 E158 P163 L171 | L157-L160 WeakPolarHBondContact O-CD1 3.37Å; L157-L160 WeakPolarHBondContact O-CG 3.28Å; E158-L160 PolarHBondContact O-N 3.02Å; E158-L160 VanDerWaalsContact O-N 3.15Å; L160-P163 HydrophobicContact CD2-CB 4.47Å; L160-P163 HydrophobicContact CD2-CG 4.07Å; L160-P163 WeakPolarHBondContact O-CD 3.43Å; L160-L171 HydrophobicContact CD1-CD1 3.76Å; L160-L171 HydrophobicContact CD2-CB 4.47Å; L160-L171 HydrophobicContact CD2-CD1 3.49Å; L160-L171 VanDerWaalsContact CD2-CD1 3.49Å; L160-L171 HydrophobicContact CG-CD1 4.29Å |
| 161 | D | 32.8 | Very low | 39.3 | Very low | 99 Ų | 99 | 69 Ų | 69 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -86 | -5.5 | 167.8 | -71.2 | -39.3 | 0 | 0 | 0 | 113.4 | N159 K175 | N159-D161 PolarHBondContact O-N 3.24Å; N159-D161 VanDerWaalsContact O-N 3.16Å; D161-K175 IonicContact OD1-NZ 3.73Å; D161-K175 PolarHBondContact OD1-NZ 3.41Å; D161-K175 IonicContact OD2-NZ 3.73Å; D161-K175 PolarHBondContact OD2-NZ 3.28Å |
| 162 | N | 31.1 | Very low | 38.5 | Very low | 150 Ų | 150 | 70.9 Ų | 70.9 | 80% | 0.802 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -150.7 | 47.1 | 171.2 | -138.7 | -2.5 | 0 | 0 | 0 | 114.4 | N159 | N159-N162 CarbonylContact O-C 3.48Å; N159-N162 PolarHBondContact O-N 3.05Å |
| 163 | P | 31.8 | Very low | 37.8 | Very low | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.175 | 37% | 0.372 | C | S | . | . | trans | -87.2 | 129.2 | -173.8 | 32.1 | -22.8 | 0 | 0 | 0 | 109.8 | N159 L160 F165 A168 | N159-P163 WeakPolarHBondContact O-CD 3.23Å; L160-P163 HydrophobicContact CD2-CB 4.47Å; L160-P163 HydrophobicContact CD2-CG 4.07Å; L160-P163 WeakPolarHBondContact O-CD 3.43Å; P163-F165 PolarHBondContact O-N 3.36Å; P163-A168 HydrophobicContact CB-CB 4.49Å; P163-A168 HydrophobicContact CG-CB 3.45Å; P163-A168 VanDerWaalsContact CG-CB 3.45Å; P163-A168 WeakPolarHBondContact O-CB 3.45Å | ||
| 164 | S | 34.5 | Very low | 36.9 | Very low | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | trans | -47 | 111.2 | 169.2 | 51.2 | 0 | 0 | 0 | 0 | 112 | A166 | S164-A166 VanDerWaalsContact C-N 3.34Å; S164-A166 PolarHBondContact O-N 2.86Å | ||
| 165 | F | 36.5 | Very low | 36.2 | Very low | 167 Ų | 167 | 69.1 Ų | 69.1 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 46.3 | -38.6 | 156.5 | -76.2 | -85.7 | 0 | 0 | 0 | 122.6 | P163 | P163-F165 PolarHBondContact O-N 3.36Š|
| 166 | A | 38.4 | Very low | 35.2 | Very low | 15 Ų | 15 | 75.1 Ų | 75.1 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -88.9 | -25.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L78 S164 I170 | L78-A166 HydrophobicContact CD2-CB 3.61Å; S164-A166 VanDerWaalsContact C-N 3.34Å; S164-A166 PolarHBondContact O-N 2.86Å; A166-I170 WeakPolarHBondContact O-CD1 3.44Å |
| 167 | V | 37.1 | Very low | 34.6 | Very low | 13 Ų | 13 | 80 Ų | 80 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -129.7 | -17.7 | -171.8 | -165.4 | 0 | 0 | 0 | 0 | 112.8 | M54 F82 G169 I170 L171 | M54-V167 HydrophobicContact CE-CG1 4.09Å; F82-V167 HydrophobicContact CE1-CG2 4.19Å; V167-G169 PolarHBondContact O-N 3.2Å; V167-I170 WeakPolarHBondContact O-CA 3.45Å; V167-I170 WeakPolarHBondContact O-CB 3.41Å; V167-I170 PolarHBondContact O-N 3.45Å; V167-I170 VanDerWaalsContact O-N 3.07Å; V167-L171 HydrophobicContact CG1-CD1 3.47Å; V167-L171 VanDerWaalsContact CG1-CD1 3.47Å; V167-L171 HydrophobicContact CG1-CG 3.82Å; V167-L171 PolarHBondContact O-N 2.84Å |
| 168 | A | 35.7 | Very low | 34 | Very low | 14 Ų | 14 | 78.9 Ų | 78.9 | 12% | 0.116 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53.1 | -55.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P163 I170 L171 E172 | P163-A168 HydrophobicContact CB-CB 4.49Å; P163-A168 HydrophobicContact CG-CB 3.45Å; P163-A168 VanDerWaalsContact CG-CB 3.45Å; P163-A168 WeakPolarHBondContact O-CB 3.45Å; A168-I170 PolarHBondContact O-N 3.27Å; A168-I170 VanDerWaalsContact O-N 3.12Å; A168-L171 PolarHBondContact O-N 3.43Å; A168-E172 WeakPolarHBondContact O-CB 3.46Å; A168-E172 PolarHBondContact O-N 2.91Å |
| 169 | G | 33.9 | Very low | 33.8 | Very low | 53 Ų | 53 | 74 Ų | 74 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -24.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V167 | V167-G169 PolarHBondContact O-N 3.2Å |
| 170 | I | 39.4 | Very low | 33.7 | Very low | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -79.3 | -32.6 | 177.7 | -58.9 | 179.3 | 0 | 0 | 0 | 111 | I53 F134 A166 V167 A168 | I53-I170 HydrophobicContact CD1-CG2 4.1Å; I53-I170 HydrophobicContact CG2-CD1 4.25Å; I53-I170 HydrophobicContact CG2-CG2 3.93Å; F134-I170 HydrophobicContact CB-CD1 4.4Å; F134-I170 HydrophobicContact CD2-CD1 4.4Å; A166-I170 WeakPolarHBondContact O-CD1 3.44Å; V167-I170 WeakPolarHBondContact O-CA 3.45Å; V167-I170 WeakPolarHBondContact O-CB 3.41Å; V167-I170 PolarHBondContact O-N 3.45Å; V167-I170 VanDerWaalsContact O-N 3.07Å; A168-I170 PolarHBondContact O-N 3.27Å; A168-I170 VanDerWaalsContact O-N 3.12Å |
| 171 | L | 35.9 | Very low | 33.4 | Very low | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -107.5 | -27.9 | -171.4 | -68.8 | 179.1 | 0 | 0 | 0 | 115.7 | Y50 Y89 L160 V167 A168 Y173 S174 | Y50-L171 HydrophobicContact CD1-CD2 4.12Å; Y50-L171 HydrophobicContact CE1-CD2 4.15Å; Y50-L171 HydrophobicContact CG-CD2 4.45Å; Y89-L171 VanDerWaalsContact OH-CD2 3.25Å; Y89-L171 WeakPolarHBondContact OH-CD2 3.27Å; L160-L171 HydrophobicContact CD1-CD1 3.76Å; L160-L171 HydrophobicContact CD2-CB 4.47Å; L160-L171 HydrophobicContact CD2-CD1 3.49Å; L160-L171 VanDerWaalsContact CD2-CD1 3.49Å; L160-L171 HydrophobicContact CG-CD1 4.29Å; V167-L171 HydrophobicContact CG1-CD1 3.47Å; V167-L171 VanDerWaalsContact CG1-CD1 3.47Å; V167-L171 HydrophobicContact CG1-CG 3.82Å; V167-L171 PolarHBondContact O-N 2.84Å; A168-L171 PolarHBondContact O-N 3.43Å; L171-Y173 PolarHBondContact O-N 2.92Å; L171-Y173 VanDerWaalsContact O-N 3.15Å; L171-S174 VanDerWaalsContact O-CB 3.23Å; L171-S174 WeakPolarHBondContact O-CB 3.47Å; L171-S174 PolarHBondContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 3.38Å |
| 172 | E | 30.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 74.4 Ų | 74.4 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -61 | -29 | -175.5 | -121.1 | 179.2 | 159.1 | 0 | 0 | 112.7 | A168 S174 K175 | A168-E172 WeakPolarHBondContact O-CB 3.46Å; A168-E172 PolarHBondContact O-N 2.91Å; E172-S174 PolarHBondContact O-N 2.94Å; E172-K175 PolarHBondContact O-N 3.36Å |
| 173 | Y | 29.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 69.3 Ų | 69.3 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -70.7 | -15.5 | 177.2 | -124.8 | -91.9 | 0 | 0 | 0 | 114.1 | Y6 K9 L171 K175 | Y6-Y173 WeakPolarHBondContact CD2-OH 3.29Å; K9-Y173 HydrophobicContact CB-CE1 4.49Å; K9-Y173 HydrophobicContact CD-CD1 4.26Å; K9-Y173 HydrophobicContact CD-CD2 4.42Å; K9-Y173 HydrophobicContact CD-CE1 3.96Å; K9-Y173 HydrophobicContact CD-CE2 4.15Å; K9-Y173 HydrophobicContact CD-CG 4.46Å; L171-Y173 PolarHBondContact O-N 2.92Å; L171-Y173 VanDerWaalsContact O-N 3.15Å; Y173-K175 VanDerWaalsContact C-N 3.31Å |
| 174 | S | 30.8 | Very low | 33.8 | Very low | 33 Ų | 33 | 72.4 Ų | 72.4 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -75.8 | -19.8 | 179.9 | 79.2 | 0 | 0 | 0 | 0 | 113.6 | Y50 L171 E172 | Y50-S174 WeakPolarHBondContact OH-CB 3.46Å; L171-S174 VanDerWaalsContact O-CB 3.23Å; L171-S174 WeakPolarHBondContact O-CB 3.47Å; L171-S174 PolarHBondContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 3.38Å; E172-S174 PolarHBondContact O-N 2.94Å |
| 175 | K | 29.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 73.8 Ų | 73.8 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -83.7 | -11.6 | -178 | -74.8 | -174.2 | 176.3 | 179.5 | 0 | 113.9 | D161 E172 Y173 | D161-K175 IonicContact OD1-NZ 3.73Å; D161-K175 PolarHBondContact OD1-NZ 3.41Å; D161-K175 IonicContact OD2-NZ 3.73Å; D161-K175 PolarHBondContact OD2-NZ 3.28Å; E172-K175 PolarHBondContact O-N 3.36Å; Y173-K175 VanDerWaalsContact C-N 3.31Å |
| 176 | F | 28.4 | Very low | 33.5 | Very low | 181 Ų | 181 | 66.1 Ų | 66.1 | 79% | 0.794 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -103.9 | 17.8 | -178.6 | -72.7 | -80.1 | 0 | 0 | 0 | 114.8 | ||
| 177 | M | 32 | Very low | 33 | Very low | 149 Ų | 149 | 70.7 Ų | 70.7 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | trans | -126.1 | 0 | 170.4 | -70.1 | -171.2 | -178 | 0 | 0 | 112.1 |
Retrieved 177 of 177 residues in 200 ms
(Link to these results)