| 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 | 73.6 | Confident | 86.6 | Confident | 153 Ų | 153 | 65.4 Ų | 65.4 | 75% | 0.754 | 33% | 0.325 | S | S | * | . | 0 | -45.5 | 0 | -65.7 | -48.1 | -156.3 | 0 | 0 | 113.9 | I3 Y4 I5 | M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.07Å; M1-Y4 PolarHBondContact O-N 2.89Å; M1-I5 PolarHBondContact O-N 3.18Å | |||
| 2 | Q | 81.2 | Confident | 86.8 | Confident | 181 Ų | 181 | 66.4 Ų | 66.4 | 85% | 0.846 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -27.8 | -176.3 | -67.9 | 177.1 | -7.5 | 0 | 0 | 115.3 | P6 | Q2-P6 WeakPolarHBondContact O-CD 3.14Å; Q2-P6 WeakPolarHBondContact O-CG 3.46Å |
| 3 | I | 85.5 | Confident | 87.1 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 22% | 0.221 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -39.2 | 178 | -63.4 | 153.6 | 0 | 0 | 0 | 112 | M1 P6 S7 T46 I59 L63 | M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.07Å; I3-P6 WeakPolarHBondContact O-CD 3.29Å; I3-P6 WeakPolarHBondContact O-CG 3.46Å; I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 3.01Å; I3-S7 PolarHBondContact O-OG 3.41Å; I3-S7 VanDerWaalsContact O-OG 3.13Å; I3-T46 HydrophobicContact CD1-CG2 3.63Å; I3-T46 HydrophobicContact CG2-CG2 4.49Å; I3-I59 HydrophobicContact CG2-CD1 4.05Å; I3-L63 HydrophobicContact CG2-CD1 4.19Å; I3-L63 HydrophobicContact CG2-CD2 3.98Å; I3-L63 HydrophobicContact CG2-CG 4.48Å |
| 4 | Y | 86.1 | Confident | 87.1 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | -177.7 | -68.7 | -74.1 | 0 | 0 | 0 | 111.9 | M1 S7 M8 I59 Y62 Y249 | M1-Y4 PolarHBondContact O-N 2.89Å; Y4-S7 WeakPolarHBondContact CA-OG 3.38Å; Y4-S7 PolarHBondContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.17Å; Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.03Å; Y4-I59 HydrophobicContact CD1-CD1 4.27Å; Y4-I59 HydrophobicContact CE1-CD1 3.61Å; Y4-I59 HydrophobicContact CE2-CD1 4.01Å; Y4-I59 VanDerWaalsContact CZ-CD1 3.47Å; Y4-Y62 AromaticContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD2 4.46Å; Y4-Y62 AromaticContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE1 3.46Å; Y4-Y62 VanDerWaalsContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE2 4.28Å; Y4-Y62 HydrophobicContact CD1-CG 4.21Å; Y4-Y62 AromaticContact CD1-CZ 3.79Å; Y4-Y62 AromaticContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD2 4.3Å; Y4-Y62 AromaticContact CE1-CE1 3.89Å; Y4-Y62 HydrophobicContact CE1-CE1 3.89Å; Y4-Y62 AromaticContact CE1-CG 3.84Å; Y4-Y62 HydrophobicContact CE1-CG 3.84Å; Y4-Y249 AromaticContact CE1-CE1 3.8Å; Y4-Y249 HydrophobicContact CE1-CE1 3.8Å; Y4-Y249 PolarHBondContact OH-OH 2.92Å |
| 5 | I | 86.7 | Confident | 87.1 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 52% | 0.518 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.7 | -55.5 | -178.1 | -63 | 171.7 | 0 | 0 | 0 | 112.7 | M1 S7 M8 L9 | M1-I5 PolarHBondContact O-N 3.18Å; I5-S7 VanDerWaalsContact C-N 3.28Å; I5-S7 PolarHBondContact O-N 3.47Å; I5-M8 PolarHBondContact O-N 2.73Å; I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 3.12Å; I5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | P | 89.8 | Confident | 87 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 179.6 | 25 | -34.1 | 0 | 0 | 0 | 112 | Q2 I3 M8 L9 I10 L42 | Q2-P6 WeakPolarHBondContact O-CD 3.14Å; Q2-P6 WeakPolarHBondContact O-CG 3.46Å; I3-P6 WeakPolarHBondContact O-CD 3.29Å; I3-P6 WeakPolarHBondContact O-CG 3.46Å; P6-M8 PolarHBondContact O-N 3.38Å; P6-L9 PolarHBondContact O-N 3.46Å; P6-I10 WeakPolarHBondContact O-CB 3.48Å; P6-I10 WeakPolarHBondContact O-CD1 3.3Å; P6-I10 VanDerWaalsContact O-CG1 3.22Å; P6-I10 WeakPolarHBondContact O-CG1 3.47Å; P6-I10 PolarHBondContact O-N 3.16Å; P6-L42 HydrophobicContact CB-CD1 4.35Å |
| 7 | S | 89.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.8 | 70.8 | 0 | 0 | 0 | 0 | 113 | I3 Y4 I5 I10 V11 Y62 | I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 3.01Å; I3-S7 PolarHBondContact O-OG 3.41Å; I3-S7 VanDerWaalsContact O-OG 3.13Å; Y4-S7 WeakPolarHBondContact CA-OG 3.38Å; Y4-S7 PolarHBondContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.17Å; I5-S7 VanDerWaalsContact C-N 3.28Å; I5-S7 PolarHBondContact O-N 3.47Å; S7-I10 PolarHBondContact O-N 2.99Å; S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 2.6Å; S7-V11 VanDerWaalsContact O-N 3.08Å; S7-Y62 WeakPolarHBondContact OG-CE1 3.3Å; S7-Y62 PolarHBondContact OG-OH 3.17Å |
| 8 | M | 88.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 176 | -64.8 | -81.4 | -174.1 | 0 | 0 | 111 | Y4 I5 P6 I10 V11 I12 Y62 F242 N246 | Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.03Å; I5-M8 PolarHBondContact O-N 2.73Å; P6-M8 PolarHBondContact O-N 3.38Å; M8-I10 VanDerWaalsContact C-N 3.32Å; M8-I10 PolarHBondContact O-N 2.82Å; M8-V11 PolarHBondContact O-N 2.82Å; M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.89Å; M8-Y62 HydrophobicContact CE-CE2 3.73Å; M8-Y62 WeakPolarHBondContact CE-OH 2.88Å; M8-Y62 WeakPolarHBondContact CG-OH 3.47Å; M8-Y62 PolarHBondContact SD-OH 3.39Å; M8-Y62 VanDerWaalsContact SD-OH 3.33Å; M8-F242 HydrophobicContact CB-CZ 4.42Å; M8-F242 HydrophobicContact CG-CZ 4.39Å; M8-F242 HydrophobicContact SD-CE1 3.75Å; M8-F242 HydrophobicContact SD-CE2 4.07Å; M8-F242 HydrophobicContact SD-CZ 3.18Å; M8-F242 WeakPolarHBondContact SD-CZ 3.49Å; M8-N246 WeakPolarHBondContact CE-OD1 3.5Å |
| 9 | L | 90.2 | Very high | 86.2 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 178.6 | -70.2 | 175.6 | 0 | 0 | 0 | 111.8 | I5 P6 I12 I13 | I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 3.12Å; I5-L9 VanDerWaalsContact O-N 3.08Å; P6-L9 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 2.8Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 3.09Å |
| 10 | I | 92.1 | Very high | 86 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.7 | -71.7 | 163 | 0 | 0 | 0 | 111.6 | P6 S7 M8 I13 S14 T35 M39 L42 | P6-I10 WeakPolarHBondContact O-CB 3.48Å; P6-I10 WeakPolarHBondContact O-CD1 3.3Å; P6-I10 VanDerWaalsContact O-CG1 3.22Å; P6-I10 WeakPolarHBondContact O-CG1 3.47Å; P6-I10 PolarHBondContact O-N 3.16Å; S7-I10 PolarHBondContact O-N 2.99Å; M8-I10 VanDerWaalsContact C-N 3.32Å; M8-I10 PolarHBondContact O-N 2.82Å; I10-I13 PolarHBondContact O-N 3.12Å; I10-S14 PolarHBondContact O-N 3.1Å; I10-T35 HydrophobicContact CG2-CG2 3.94Å; I10-M39 HydrophobicContact CB-CE 3.61Å; I10-M39 HydrophobicContact CB-SD 4.32Å; I10-M39 HydrophobicContact CD1-CE 3.27Å; I10-M39 HydrophobicContact CG1-CE 4Å; I10-M39 HydrophobicContact CG2-CE 3.59Å; I10-M39 HydrophobicContact CG2-CG 3.65Å; I10-M39 HydrophobicContact CG2-SD 3.95Å; I10-L42 HydrophobicContact CD1-CD1 3.38Å |
| 11 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | S7 M8 S14 W15 C66 M69 V70 F242 | S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 2.6Å; S7-V11 VanDerWaalsContact O-N 3.08Å; M8-V11 PolarHBondContact O-N 2.82Å; V11-S14 WeakPolarHBondContact O-CB 3.17Å; V11-S14 PolarHBondContact O-N 2.93Å; V11-S14 PolarHBondContact O-OG 2.9Å; V11-W15 HydrophobicContact CG1-CZ2 3.75Å; V11-W15 PolarHBondContact O-N 2.87Å; V11-C66 HydrophobicContact CG2-CB 3.74Å; V11-M69 HydrophobicContact CG1-CB 4.49Å; V11-V70 HydrophobicContact CB-CG2 4.49Å; V11-V70 HydrophobicContact CG2-CG2 3.93Å; V11-F242 HydrophobicContact CB-CD2 4.37Å; V11-F242 HydrophobicContact CB-CE2 3.78Å; V11-F242 HydrophobicContact CB-CZ 4.12Å; V11-F242 HydrophobicContact CG1-CD2 3.61Å; V11-F242 HydrophobicContact CG1-CE2 3.53Å; V11-F242 HydrophobicContact CG1-CG 4.24Å; V11-F242 HydrophobicContact CG1-CZ 4.09Å; V11-F242 HydrophobicContact CG2-CE2 3.92Å |
| 12 | I | 89.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.3 | -66.1 | 164.9 | 0 | 0 | 0 | 111.3 | M8 L9 S14 W15 V16 | M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.89Å; L9-I12 PolarHBondContact O-N 2.8Å; I12-S14 PolarHBondContact O-N 2.8Å; I12-W15 HydrophobicContact CG1-CZ3 4.36Å; I12-W15 WeakPolarHBondContact O-CB 3.34Å; I12-W15 PolarHBondContact O-N 2.95Å; I12-V16 PolarHBondContact O-N 2.81Å |
| 13 | I | 89.7 | Confident | 85.3 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 175.8 | -70.2 | 162.8 | 0 | 0 | 0 | 110.4 | L9 I10 W15 V16 T35 | L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 3.09Å; I10-I13 PolarHBondContact O-N 3.12Å; I13-W15 PolarHBondContact O-N 3.28Å; I13-V16 VanDerWaalsContact O-CB 3.27Å; I13-V16 WeakPolarHBondContact O-CB 3.25Å; I13-V16 PolarHBondContact O-N 2.64Å; I13-V16 VanDerWaalsContact O-N 3.07Å; I13-T35 HydrophobicContact CB-CG2 4.38Å; I13-T35 HydrophobicContact CG2-CG2 3.96Å |
| 14 | S | 87.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -31.1 | 177 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | I10 V11 I12 V16 S17 | I10-S14 PolarHBondContact O-N 3.1Å; V11-S14 WeakPolarHBondContact O-CB 3.17Å; V11-S14 PolarHBondContact O-N 2.93Å; V11-S14 PolarHBondContact O-OG 2.9Å; I12-S14 PolarHBondContact O-N 2.8Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.47Å; S14-S17 VanDerWaalsContact O-CB 3.27Å; S14-S17 WeakPolarHBondContact O-CB 3.28Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.38Å |
| 15 | W | 87.1 | Confident | 84.9 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.5 | -21.1 | 177.7 | -57.1 | -13.5 | 0 | 0 | 0 | 113.8 | V11 I12 I13 S17 F18 P239 F242 F243 | V11-W15 HydrophobicContact CG1-CZ2 3.75Å; V11-W15 PolarHBondContact O-N 2.87Å; I12-W15 HydrophobicContact CG1-CZ3 4.36Å; I12-W15 WeakPolarHBondContact O-CB 3.34Å; I12-W15 PolarHBondContact O-N 2.95Å; I13-W15 PolarHBondContact O-N 3.28Å; W15-S17 PolarHBondContact O-N 3.24Å; W15-S17 VanDerWaalsContact O-N 3.14Å; W15-F18 HydrophobicContact CB-CD2 3.94Å; W15-F18 HydrophobicContact CB-CE2 4.18Å; W15-F18 AromaticContact CD1-CE2 3.77Å; W15-F18 HydrophobicContact CG-CD2 4.37Å; W15-F18 HydrophobicContact CG-CE2 4.16Å; W15-F18 WeakPolarHBondContact O-CB 3.48Å; W15-F18 WeakPolarHBondContact O-CD2 3.04Å; W15-F18 PolarHBondContact O-N 3.27Å; W15-P239 HydrophobicContact CD2-CG 3.96Å; W15-P239 HydrophobicContact CE3-CB 4Å; W15-P239 HydrophobicContact CE3-CG 3.71Å; W15-P239 HydrophobicContact CH2-CB 3.76Å; W15-P239 HydrophobicContact CH2-CG 4.24Å; W15-P239 HydrophobicContact CZ2-CB 4.28Å; W15-P239 HydrophobicContact CZ2-CG 4.44Å; W15-P239 HydrophobicContact CZ3-CB 3.57Å; W15-P239 HydrophobicContact CZ3-CG 3.85Å; W15-F242 HydrophobicContact CH2-CB 3.73Å; W15-F242 AromaticContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CE1 4.24Å; W15-F242 AromaticContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CZ2-CB 3.45Å; W15-F242 VanDerWaalsContact CZ2-CB 3.45Å; W15-F242 AromaticContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD2 4.35Å; W15-F242 AromaticContact CZ2-CG 3.68Å; W15-F242 HydrophobicContact CZ2-CG 3.68Å; W15-F243 HydrophobicContact CH2-CE2 4.35Å; W15-F243 HydrophobicContact CZ3-CE2 4.3Å |
| 16 | V | 86 | Confident | 84.7 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.8 | -29.2 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | I12 I13 S14 F18 W19 I20 | I12-V16 PolarHBondContact O-N 2.81Å; I13-V16 VanDerWaalsContact O-CB 3.27Å; I13-V16 WeakPolarHBondContact O-CB 3.25Å; I13-V16 PolarHBondContact O-N 2.64Å; I13-V16 VanDerWaalsContact O-N 3.07Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.47Å; V16-F18 PolarHBondContact O-N 2.89Å; V16-F18 VanDerWaalsContact O-N 3.17Å; V16-W19 PolarHBondContact O-N 2.95Å; V16-I20 HydrophobicContact CG1-CD1 4.47Å; V16-I20 PolarHBondContact O-N 3.48Å |
| 17 | S | 81.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.7 | 173.7 | 76.9 | 0 | 0 | 0 | 0 | 113.5 | S14 W15 W19 R28 | S14-S17 VanDerWaalsContact O-CB 3.27Å; S14-S17 WeakPolarHBondContact O-CB 3.28Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.38Å; W15-S17 PolarHBondContact O-N 3.24Å; W15-S17 VanDerWaalsContact O-N 3.14Å; S17-W19 VanDerWaalsContact C-N 3.34Å; S17-R28 WeakPolarHBondContact O-CD 3.39Å; S17-R28 PolarHBondContact O-NE 3.49Å; S17-R28 PolarHBondContact O-NH2 3.39Å |
| 18 | F | 82.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.7 | 177.3 | -56.3 | -47.3 | 0 | 0 | 0 | 114.1 | W15 V16 S73 E76 R235 F238 | W15-F18 HydrophobicContact CB-CD2 3.94Å; W15-F18 HydrophobicContact CB-CE2 4.18Å; W15-F18 AromaticContact CD1-CE2 3.77Å; W15-F18 HydrophobicContact CG-CD2 4.37Å; W15-F18 HydrophobicContact CG-CE2 4.16Å; W15-F18 WeakPolarHBondContact O-CB 3.48Å; W15-F18 WeakPolarHBondContact O-CD2 3.04Å; W15-F18 PolarHBondContact O-N 3.27Å; V16-F18 PolarHBondContact O-N 2.89Å; V16-F18 VanDerWaalsContact O-N 3.17Å; F18-S73 VanDerWaalsContact CZ-CB 3.47Å; F18-E76 HydrophobicContact CE1-CB 4.12Å; F18-E76 HydrophobicContact CE1-CG 3.96Å; F18-E76 WeakPolarHBondContact CE1-OE2 3.2Å; F18-R235 HydrophobicContact CB-CG 4.28Å; F18-R235 PolarHBondContact O-NH2 3.07Å; F18-R235 VanDerWaalsContact O-NH2 3.13Å; F18-F238 HydrophobicContact CE1-CD2 4.28Å; F18-F238 HydrophobicContact CE1-CE2 4.41Å; F18-F238 HydrophobicContact CE2-CB 4.05Å; F18-F238 AromaticContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CG 4.15Å; F18-F238 HydrophobicContact CZ-CB 4.44Å; F18-F238 AromaticContact CZ-CD2 3.41Å; F18-F238 HydrophobicContact CZ-CD2 3.41Å; F18-F238 VanDerWaalsContact CZ-CD2 3.41Å; F18-F238 AromaticContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CG 4.03Å |
| 19 | W | 81.8 | Confident | 84.2 | Confident | 187 Ų | 187 | 52.1 Ų | 52.1 | 71% | 0.708 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -26.3 | 179.4 | -68 | 90 | 0 | 0 | 0 | 112.3 | V16 S17 | V16-W19 PolarHBondContact O-N 2.95Å; S17-W19 VanDerWaalsContact C-N 3.34Å |
| 20 | I | 81.7 | Confident | 84.1 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.6 | 136.1 | 178 | -66.8 | 170.6 | 0 | 0 | 0 | 110.9 | V16 A24 R28 L31 | V16-I20 HydrophobicContact CG1-CD1 4.47Å; V16-I20 PolarHBondContact O-N 3.48Å; I20-A24 HydrophobicContact CG2-CB 3.76Å; I20-R28 HydrophobicContact CB-CG 3.76Å; I20-R28 HydrophobicContact CD1-CG 4.39Å; I20-R28 HydrophobicContact CG2-CG 3.64Å; I20-L31 HydrophobicContact CD1-CD1 3.63Å |
| 21 | H | 78.5 | Confident | 83.9 | Confident | 126 Ų | 126 | 51.6 Ų | 51.6 | 58% | 0.583 | 27% | 0.27 | S | S | * | . | trans | -56.3 | 142 | 179.6 | -159.9 | -97.2 | 0 | 0 | 0 | 111.6 | D23 A24 | H21-D23 IonicContact CE1-OD2 2.93Å; H21-D23 PolarHBondContact CE1-OD2 3.07Å; H21-D23 IonicContact ND1-OD2 2.95Å; H21-D23 PolarHBondContact ND1-OD2 3.09Å; H21-D23 PolarHBondContact O-N 3.01Å; H21-A24 PolarHBondContact O-N 2.85Å | ||
| 22 | R | 73.1 | Confident | 83.8 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.2 | -171.9 | -63.4 | 174.6 | -176.8 | 105.3 | 1.7 | 113.8 | S25 V80 N84 D231 | R22-S25 PolarHBondContact O-OG 3.21Å; R22-V80 HydrophobicContact CG-CG1 4.38Å; R22-N84 WeakPolarHBondContact CD-ND2 3.38Å; R22-D231 IonicContact CZ-OD2 3.08Å; R22-D231 IonicContact NE-OD2 2.71Å; R22-D231 PolarHBondContact NE-OD2 3.43Å; R22-D231 IonicContact NH2-OD2 2.64Å; R22-D231 PolarHBondContact NH2-OD2 3.43Å |
| 23 | D | 75.1 | Confident | 83.8 | Confident | 128 Ų | 128 | 48.2 Ų | 48.2 | 68% | 0.684 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.9 | 179.2 | -57.4 | -40.8 | 0 | 0 | 0 | 112.7 | H21 S25 | H21-D23 IonicContact CE1-OD2 2.93Å; H21-D23 PolarHBondContact CE1-OD2 3.07Å; H21-D23 IonicContact ND1-OD2 2.95Å; H21-D23 PolarHBondContact ND1-OD2 3.09Å; H21-D23 PolarHBondContact O-N 3.01Å; D23-S25 PolarHBondContact O-N 3.19Å |
| 24 | A | 81.9 | Confident | 83.8 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | trans | -81.5 | 50.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I20 H21 P26 A27 R28 | I20-A24 HydrophobicContact CG2-CB 3.76Å; H21-A24 PolarHBondContact O-N 2.85Å; A24-P26 VanDerWaalsContact C-CD 3.42Å; A24-A27 PolarHBondContact O-N 2.78Å; A24-R28 PolarHBondContact O-N 3.11Å | ||
| 25 | S | 80.2 | Confident | 84 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.7 | -44.2 | 177.5 | -76.5 | 0 | 0 | 0 | 0 | 115.3 | R22 D23 A27 R28 V29 Y77 | R22-S25 PolarHBondContact O-OG 3.21Å; D23-S25 PolarHBondContact O-N 3.19Å; S25-A27 PolarHBondContact O-N 3.08Å; S25-R28 PolarHBondContact O-N 3.05Å; S25-V29 WeakPolarHBondContact O-CG2 3.39Å; S25-V29 PolarHBondContact O-N 2.93Å; S25-V29 VanDerWaalsContact O-N 3.16Å; S25-Y77 WeakPolarHBondContact CA-OH 3.32Å; S25-Y77 WeakPolarHBondContact CB-OH 3.35Å; S25-Y77 PolarHBondContact O-OH 3.01Å; S25-Y77 PolarHBondContact OG-OH 3.47Å |
| 26 | P | 83.2 | Confident | 84.1 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.6 | -38.2 | -178.3 | 23.9 | -33.9 | 0 | 0 | 0 | 113.7 | A24 S30 A353 | A24-P26 VanDerWaalsContact C-CD 3.42Å; P26-S30 VanDerWaalsContact O-CB 3.26Å; P26-S30 WeakPolarHBondContact O-CB 3.32Å; P26-S30 PolarHBondContact O-N 3.42Å; P26-A353 HydrophobicContact CB-CB 4.47Å |
| 27 | A | 85 | Confident | 84.2 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A24 S25 S30 L31 | A24-A27 PolarHBondContact O-N 2.78Å; S25-A27 PolarHBondContact O-N 3.08Å; A27-S30 PolarHBondContact O-N 2.97Å; A27-L31 WeakPolarHBondContact O-CG 3.24Å; A27-L31 PolarHBondContact O-N 3.1Å |
| 28 | R | 86.1 | Confident | 84.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 179.1 | -71 | -177.2 | 63 | 163.1 | 0.5 | 112.3 | S17 I20 A24 S25 L31 G32 E76 Y77 D231 | S17-R28 WeakPolarHBondContact O-CD 3.39Å; S17-R28 PolarHBondContact O-NE 3.49Å; S17-R28 PolarHBondContact O-NH2 3.39Å; I20-R28 HydrophobicContact CB-CG 3.76Å; I20-R28 HydrophobicContact CD1-CG 4.39Å; I20-R28 HydrophobicContact CG2-CG 3.64Å; A24-R28 PolarHBondContact O-N 3.11Å; S25-R28 PolarHBondContact O-N 3.05Å; R28-L31 PolarHBondContact O-N 3.01Å; R28-G32 PolarHBondContact O-N 3.37Å; R28-E76 IonicContact NH2-OE2 3.31Å; R28-E76 PolarHBondContact NH2-OE2 3.37Å; R28-Y77 HydrophobicContact CB-CD2 4.08Å; R28-Y77 HydrophobicContact CB-CE2 3.94Å; R28-Y77 VanDerWaalsContact NE-CD2 3.34Å; R28-D231 IonicContact NH1-OD1 3.94Å |
| 29 | V | 85.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | S25 L31 G32 V33 Y77 I346 A353 L357 | S25-V29 WeakPolarHBondContact O-CG2 3.39Å; S25-V29 PolarHBondContact O-N 2.93Å; S25-V29 VanDerWaalsContact O-N 3.16Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.09Å; V29-G32 PolarHBondContact O-N 3.33Å; V29-V33 HydrophobicContact CG1-CG2 3.93Å; V29-V33 WeakPolarHBondContact O-CB 3.39Å; V29-V33 WeakPolarHBondContact O-CG2 3.22Å; V29-V33 PolarHBondContact O-N 2.94Å; V29-Y77 HydrophobicContact CG2-CD1 3.92Å; V29-Y77 HydrophobicContact CG2-CE1 3.11Å; V29-I346 HydrophobicContact CG2-CD1 4.08Å; V29-A353 HydrophobicContact CB-CB 4.07Å; V29-A353 HydrophobicContact CG1-CB 4.17Å; V29-A353 HydrophobicContact CG2-CB 4.11Å; V29-L357 HydrophobicContact CG1-CD1 3.44Å; V29-L357 VanDerWaalsContact CG1-CD1 3.44Å; V29-L357 HydrophobicContact CG1-CD2 4.07Å; V29-L357 HydrophobicContact CG1-CG 3.43Å; V29-L357 VanDerWaalsContact CG1-CG 3.43Å |
| 30 | S | 87.8 | Confident | 85.4 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 179.7 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | P26 A27 T34 | P26-S30 VanDerWaalsContact O-CB 3.26Å; P26-S30 WeakPolarHBondContact O-CB 3.32Å; P26-S30 PolarHBondContact O-N 3.42Å; A27-S30 PolarHBondContact O-N 2.97Å; S30-T34 VanDerWaalsContact O-CB 3.23Å; S30-T34 WeakPolarHBondContact O-CB 3.34Å; S30-T34 PolarHBondContact O-N 2.78Å; S30-T34 PolarHBondContact O-OG1 3.45Å |
| 31 | L | 88.9 | Confident | 85.7 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -53 | 176.1 | -72.2 | 173.3 | 0 | 0 | 0 | 111.9 | I20 A27 R28 V29 V33 T34 T35 | I20-L31 HydrophobicContact CD1-CD1 3.63Å; A27-L31 WeakPolarHBondContact O-CG 3.24Å; A27-L31 PolarHBondContact O-N 3.1Å; R28-L31 PolarHBondContact O-N 3.01Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.09Å; L31-V33 VanDerWaalsContact C-N 3.33Å; L31-V33 PolarHBondContact O-N 3.45Å; L31-T34 PolarHBondContact O-N 2.91Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 3.19Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.11Å |
| 32 | G | 87.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -35.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R28 V29 T35 V36 | R28-G32 PolarHBondContact O-N 3.37Å; V29-G32 PolarHBondContact O-N 3.33Å; G32-T35 WeakPolarHBondContact CA-OG1 3.27Å; G32-T35 PolarHBondContact O-OG1 2.94Å; G32-V36 WeakPolarHBondContact O-CG2 3.49Å; G32-V36 PolarHBondContact O-N 3.18Å; G32-V36 VanDerWaalsContact O-N 3.15Å |
| 33 | V | 88.2 | Confident | 86.9 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.7 | -42.8 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | V29 L31 T35 V36 L37 L357 M360 | V29-V33 HydrophobicContact CG1-CG2 3.93Å; V29-V33 WeakPolarHBondContact O-CB 3.39Å; V29-V33 WeakPolarHBondContact O-CG2 3.22Å; V29-V33 PolarHBondContact O-N 2.94Å; L31-V33 VanDerWaalsContact C-N 3.33Å; L31-V33 PolarHBondContact O-N 3.45Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.97Å; V33-V36 PolarHBondContact O-N 2.97Å; V33-L37 PolarHBondContact O-N 2.79Å; V33-L357 HydrophobicContact CB-CD2 4.41Å; V33-L357 HydrophobicContact CG1-CD2 4.49Å; V33-L357 HydrophobicContact CG2-CD2 3.09Å; V33-L357 HydrophobicContact CG2-CG 3.82Å; V33-M360 HydrophobicContact CG1-CB 3.69Å; V33-M360 HydrophobicContact CG1-CG 4.08Å |
| 34 | T | 90.5 | Very high | 87.3 | Confident | 59 Ų | 59 | 25.7 Ų | 25.7 | 36% | 0.362 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | S30 L31 L37 T38 | S30-T34 VanDerWaalsContact O-CB 3.23Å; S30-T34 WeakPolarHBondContact O-CB 3.34Å; S30-T34 PolarHBondContact O-N 2.78Å; S30-T34 PolarHBondContact O-OG1 3.45Å; L31-T34 PolarHBondContact O-N 2.91Å; T34-L37 PolarHBondContact O-N 3.35Å; T34-T38 HydrophobicContact CG2-CG2 4.18Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 2.96Å; T34-T38 PolarHBondContact O-N 3.37Å; T34-T38 PolarHBondContact O-OG1 3.33Å |
| 35 | T | 91.7 | Very high | 87.5 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 178 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | I10 I13 L31 G32 V33 T38 M39 V70 | I10-T35 HydrophobicContact CG2-CG2 3.94Å; I13-T35 HydrophobicContact CB-CG2 4.38Å; I13-T35 HydrophobicContact CG2-CG2 3.96Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 3.19Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.11Å; G32-T35 WeakPolarHBondContact CA-OG1 3.27Å; G32-T35 PolarHBondContact O-OG1 2.94Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.97Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-OG1 3.3Å; T35-T38 VanDerWaalsContact O-OG1 3.07Å; T35-M39 WeakPolarHBondContact O-CB 3.28Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 2.93Å; T35-V70 WeakPolarHBondContact OG1-CG1 3.16Å |
| 36 | V | 90.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 173 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | G32 V33 M39 T40 F67 V70 L74 I339 | G32-V36 WeakPolarHBondContact O-CG2 3.49Å; G32-V36 PolarHBondContact O-N 3.18Å; G32-V36 VanDerWaalsContact O-N 3.15Å; V33-V36 PolarHBondContact O-N 2.97Å; V36-M39 PolarHBondContact O-N 2.83Å; V36-T40 PolarHBondContact O-N 2.86Å; V36-T40 PolarHBondContact O-OG1 3.05Å; V36-F67 HydrophobicContact CG1-CD2 4.38Å; V36-F67 HydrophobicContact CG1-CE2 3.44Å; V36-F67 VanDerWaalsContact CG1-CE2 3.44Å; V36-F67 HydrophobicContact CG1-CZ 3.52Å; V36-F67 WeakPolarHBondContact O-CE2 3.38Å; V36-V70 HydrophobicContact CB-CG1 4.45Å; V36-V70 HydrophobicContact CG2-CB 4.33Å; V36-V70 HydrophobicContact CG2-CG1 3.53Å; V36-L74 HydrophobicContact CG2-CD1 3.59Å; V36-I339 HydrophobicContact CB-CD1 3.79Å; V36-I339 HydrophobicContact CG1-CD1 3.43Å; V36-I339 VanDerWaalsContact CG1-CD1 3.43Å; V36-I339 HydrophobicContact CG2-CD1 3.82Å |
| 37 | L | 87.9 | Confident | 87.4 | Confident | 26 Ų | 26 | 24.5 Ų | 24.5 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | -179.5 | -177.9 | 51.8 | 0 | 0 | 0 | 111.7 | V33 T34 M39 T40 T41 M360 T364 | V33-L37 PolarHBondContact O-N 2.79Å; T34-L37 PolarHBondContact O-N 3.35Å; L37-M39 VanDerWaalsContact C-N 3.28Å; L37-M39 PolarHBondContact O-N 2.85Å; L37-T40 WeakPolarHBondContact O-CA 3.29Å; L37-T40 WeakPolarHBondContact O-CB 3.27Å; L37-T40 PolarHBondContact O-N 3.34Å; L37-T41 PolarHBondContact O-N 3.29Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-T41 VanDerWaalsContact O-OG1 3.11Å; L37-M360 HydrophobicContact CB-CE 4.48Å; L37-M360 HydrophobicContact CD2-CE 3.44Å; L37-M360 VanDerWaalsContact CD2-CE 3.44Å; L37-M360 HydrophobicContact CD2-SD 4.33Å; L37-T364 HydrophobicContact CD1-CG2 3.42Å; L37-T364 VanDerWaalsContact CD1-CG2 3.42Å; L37-T364 WeakPolarHBondContact CD1-OG1 3.34Å |
| 38 | T | 90.6 | Very high | 87 | Confident | 49 Ų | 49 | 26.1 Ų | 26.1 | 30% | 0.301 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | T34 T35 T41 L42 | T34-T38 HydrophobicContact CG2-CG2 4.18Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 2.96Å; T34-T38 PolarHBondContact O-N 3.37Å; T34-T38 PolarHBondContact O-OG1 3.33Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-OG1 3.3Å; T35-T38 VanDerWaalsContact O-OG1 3.07Å; T38-T41 PolarHBondContact O-N 3.07Å; T38-L42 WeakPolarHBondContact O-CB 3.32Å; T38-L42 VanDerWaalsContact O-CG 3.28Å; T38-L42 WeakPolarHBondContact O-CG 3.09Å; T38-L42 PolarHBondContact O-N 3.42Å |
| 39 | M | 90.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 170.5 | -69.6 | -71 | 81.8 | 0 | 0 | 112.8 | I10 T35 V36 L37 T41 L42 M43 C66 F67 V70 | I10-M39 HydrophobicContact CB-CE 3.61Å; I10-M39 HydrophobicContact CB-SD 4.32Å; I10-M39 HydrophobicContact CD1-CE 3.27Å; I10-M39 HydrophobicContact CG1-CE 4Å; I10-M39 HydrophobicContact CG2-CE 3.59Å; I10-M39 HydrophobicContact CG2-CG 3.65Å; I10-M39 HydrophobicContact CG2-SD 3.95Å; T35-M39 WeakPolarHBondContact O-CB 3.28Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 2.93Å; V36-M39 PolarHBondContact O-N 2.83Å; L37-M39 VanDerWaalsContact C-N 3.28Å; L37-M39 PolarHBondContact O-N 2.85Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 3.41Å; M39-L42 HydrophobicContact CE-CB 4.43Å; M39-L42 HydrophobicContact CE-CD1 3.33Å; M39-L42 HydrophobicContact CE-CG 4.46Å; M39-L42 PolarHBondContact O-N 3.17Å; M39-M43 WeakPolarHBondContact O-CB 3.27Å; M39-M43 PolarHBondContact O-N 2.78Å; M39-C66 HydrophobicContact SD-CB 4.25Å; M39-F67 HydrophobicContact CB-CD2 3.59Å; M39-F67 HydrophobicContact CB-CE2 4.09Å; M39-V70 HydrophobicContact CG-CG2 4.19Å |
| 40 | T | 88.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.8 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | V36 L37 M43 T44 F67 P332 T364 L368 | V36-T40 PolarHBondContact O-N 2.86Å; V36-T40 PolarHBondContact O-OG1 3.05Å; L37-T40 WeakPolarHBondContact O-CA 3.29Å; L37-T40 WeakPolarHBondContact O-CB 3.27Å; L37-T40 PolarHBondContact O-N 3.34Å; T40-M43 WeakPolarHBondContact O-CB 3.49Å; T40-M43 PolarHBondContact O-N 3.5Å; T40-T44 WeakPolarHBondContact O-CG2 3.44Å; T40-T44 PolarHBondContact O-N 3.38Å; T40-T44 PolarHBondContact O-OG1 2.9Å; T40-F67 WeakPolarHBondContact OG1-CE2 3.33Å; T40-F67 WeakPolarHBondContact OG1-CZ 3.17Å; T40-P332 HydrophobicContact CG2-CB 3.92Å; T40-T364 HydrophobicContact CG2-CG2 4.22Å; T40-L368 HydrophobicContact CG2-CD1 4.36Å; T40-L368 HydrophobicContact CG2-CD2 3.67Å; T40-L368 HydrophobicContact CG2-CG 4.2Å |
| 41 | T | 88.4 | Confident | 85.3 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 37% | 0.368 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | L37 T38 M39 M43 T44 T45 | L37-T41 PolarHBondContact O-N 3.29Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-T41 VanDerWaalsContact O-OG1 3.11Å; T38-T41 PolarHBondContact O-N 3.07Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 3.41Å; T41-M43 VanDerWaalsContact C-N 3.25Å; T41-M43 PolarHBondContact O-N 3.4Å; T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.29Å; T41-T44 VanDerWaalsContact O-N 3.12Å; T41-T44 PolarHBondContact O-OG1 3.14Å; T41-T45 WeakPolarHBondContact O-CB 3.48Å; T41-T45 PolarHBondContact O-N 3.39Å; T41-T45 PolarHBondContact O-OG1 3.34Å |
| 42 | L | 89.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -37 | 177.4 | -79.3 | 168.5 | 0 | 0 | 0 | 112.3 | P6 I10 T38 M39 T46 | P6-L42 HydrophobicContact CB-CD1 4.35Å; I10-L42 HydrophobicContact CD1-CD1 3.38Å; T38-L42 WeakPolarHBondContact O-CB 3.32Å; T38-L42 VanDerWaalsContact O-CG 3.28Å; T38-L42 WeakPolarHBondContact O-CG 3.09Å; T38-L42 PolarHBondContact O-N 3.42Å; M39-L42 HydrophobicContact CE-CB 4.43Å; M39-L42 HydrophobicContact CE-CD1 3.33Å; M39-L42 HydrophobicContact CE-CG 4.46Å; M39-L42 PolarHBondContact O-N 3.17Å; L42-T46 WeakPolarHBondContact O-CB 3.41Å; L42-T46 PolarHBondContact O-N 2.97Å; L42-T46 PolarHBondContact O-OG1 3.4Å |
| 43 | M | 85.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -54.6 | 172.4 | -167.4 | 173.6 | -160.3 | 0 | 0 | 110.4 | M39 T40 T41 T45 T46 N47 V327 P332 | M39-M43 WeakPolarHBondContact O-CB 3.27Å; M39-M43 PolarHBondContact O-N 2.78Å; T40-M43 WeakPolarHBondContact O-CB 3.49Å; T40-M43 PolarHBondContact O-N 3.5Å; T41-M43 VanDerWaalsContact C-N 3.25Å; T41-M43 PolarHBondContact O-N 3.4Å; M43-T45 VanDerWaalsContact C-N 3.32Å; M43-T45 PolarHBondContact O-N 3.16Å; M43-T46 PolarHBondContact O-N 2.86Å; M43-N47 PolarHBondContact O-N 2.87Å; M43-N47 VanDerWaalsContact O-N 3.12Å; M43-N47 PolarHBondContact O-ND2 3.3Å; M43-N47 PolarHBondContact O-OD1 2.76Å; M43-V327 HydrophobicContact CE-CB 4.43Å; M43-V327 HydrophobicContact CE-CG1 3.36Å; M43-V327 WeakPolarHBondContact CE-O 3.35Å; M43-P332 HydrophobicContact SD-CG 4.44Å |
| 44 | T | 85.1 | Confident | 82.3 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 179 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | T40 T41 N47 A48 L368 | T40-T44 WeakPolarHBondContact O-CG2 3.44Å; T40-T44 PolarHBondContact O-N 3.38Å; T40-T44 PolarHBondContact O-OG1 2.9Å; T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.29Å; T41-T44 VanDerWaalsContact O-N 3.12Å; T41-T44 PolarHBondContact O-OG1 3.14Å; T44-N47 PolarHBondContact O-N 2.85Å; T44-A48 PolarHBondContact O-N 3.25Å; T44-L368 HydrophobicContact CG2-CD2 3.91Å |
| 45 | T | 86 | Confident | 81.2 | Confident | 73 Ų | 73 | 44 Ų | 44 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 178 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | T41 M43 N47 A48 S49 | T41-T45 WeakPolarHBondContact O-CB 3.48Å; T41-T45 PolarHBondContact O-N 3.39Å; T41-T45 PolarHBondContact O-OG1 3.34Å; M43-T45 VanDerWaalsContact C-N 3.32Å; M43-T45 PolarHBondContact O-N 3.16Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-A48 WeakPolarHBondContact O-CB 3.32Å; T45-A48 PolarHBondContact O-N 3.33Å; T45-S49 PolarHBondContact O-N 3.5Å; T45-S49 VanDerWaalsContact O-N 3.09Å; T45-S49 PolarHBondContact O-OG 2.79Å |
| 46 | T | 83.3 | Confident | 80.1 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 176.5 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | I3 L42 M43 S49 L50 I59 L63 | I3-T46 HydrophobicContact CD1-CG2 3.63Å; I3-T46 HydrophobicContact CG2-CG2 4.49Å; L42-T46 WeakPolarHBondContact O-CB 3.41Å; L42-T46 PolarHBondContact O-N 2.97Å; L42-T46 PolarHBondContact O-OG1 3.4Å; M43-T46 PolarHBondContact O-N 2.86Å; T46-S49 PolarHBondContact O-N 2.8Å; T46-L50 HydrophobicContact CG2-CD1 3.46Å; T46-L50 VanDerWaalsContact CG2-CD1 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.49Å; T46-L50 PolarHBondContact O-N 2.82Å; T46-L50 VanDerWaalsContact O-N 3.16Å; T46-I59 HydrophobicContact CG2-CG1 4.08Å; T46-L63 HydrophobicContact CG2-CD1 3.95Å |
| 47 | N | 76.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72 | -29.3 | 179.1 | -57.8 | -30.8 | 0 | 0 | 0 | 113.5 | M43 T44 T45 F324 Q328 | M43-N47 PolarHBondContact O-N 2.87Å; M43-N47 VanDerWaalsContact O-N 3.12Å; M43-N47 PolarHBondContact O-ND2 3.3Å; M43-N47 PolarHBondContact O-OD1 2.76Å; T44-N47 PolarHBondContact O-N 2.85Å; T45-N47 PolarHBondContact O-N 3.3Å; N47-F324 HydrophobicContact CB-CZ 4.5Å; N47-Q328 VanDerWaalsContact CB-OE1 3.27Å; N47-Q328 WeakPolarHBondContact ND2-CG 3.29Å; N47-Q328 PolarHBondContact ND2-NE2 2.87Å; N47-Q328 PolarHBondContact ND2-OE1 2.86Å; N47-Q328 VanDerWaalsContact OD1-CD 3.22Å; N47-Q328 PolarHBondContact OD1-NE2 3.43Å |
| 48 | A | 77.5 | Confident | 79.1 | Confident | 80 Ų | 80 | 49 Ų | 49 | 66% | 0.661 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -74.2 | -30.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T44 T45 | T44-A48 PolarHBondContact O-N 3.25Å; T45-A48 WeakPolarHBondContact O-CB 3.32Å; T45-A48 PolarHBondContact O-N 3.33Å |
| 49 | S | 81 | Confident | 78.7 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -84.8 | -22.2 | -177.7 | -54.8 | 0 | 0 | 0 | 0 | 114.4 | T45 T46 | T45-S49 PolarHBondContact O-N 3.5Å; T45-S49 VanDerWaalsContact O-N 3.09Å; T45-S49 PolarHBondContact O-OG 2.79Å; T46-S49 PolarHBondContact O-N 2.8Å |
| 50 | L | 74.5 | Confident | 78.3 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -101.1 | 143.3 | -179.8 | -70.8 | 155.2 | 0 | 0 | 0 | 110.5 | T46 K52 I59 | T46-L50 HydrophobicContact CG2-CD1 3.46Å; T46-L50 VanDerWaalsContact CG2-CD1 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.49Å; T46-L50 PolarHBondContact O-N 2.82Å; T46-L50 VanDerWaalsContact O-N 3.16Å; L50-K52 PolarHBondContact O-N 2.68Å; L50-I59 HydrophobicContact CD1-CG2 4.06Å |
| 51 | P | 68.9 | Low | 77.9 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | trans | -57 | 139.8 | 171.2 | 24.8 | -32.4 | 0 | 0 | 0 | 109.7 | V53 | P51-V53 HydrophobicContact CG-CG2 4.5Å; P51-V53 PolarHBondContact O-N 2.87Å | ||
| 52 | K | 67.3 | Low | 77.9 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | trans | -70.1 | 105.7 | 178.1 | -64.3 | 177.8 | -176.1 | 166.2 | 0 | 108 | L50 P288 F324 Q375 | L50-K52 PolarHBondContact O-N 2.68Å; K52-P288 WeakPolarHBondContact O-CB 3.39Å; K52-F324 HydrophobicContact CB-CE2 4.48Å; K52-F324 HydrophobicContact CB-CZ 4.45Å; K52-F324 HydrophobicContact CG-CE2 4.38Å; K52-F324 HydrophobicContact CG-CZ 3.94Å; K52-Q375 PolarHBondContact NZ-O 3.45Å | ||
| 53 | V | 67.8 | Low | 77.7 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | trans | -107.4 | 141.7 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | P51 Y55 P288 | P51-V53 HydrophobicContact CG-CG2 4.5Å; P51-V53 PolarHBondContact O-N 2.87Å; V53-Y55 VanDerWaalsContact C-N 3.28Å; V53-Y55 HydrophobicContact CB-CE1 4.41Å; V53-Y55 HydrophobicContact CG1-CD1 3.38Å; V53-Y55 HydrophobicContact CG1-CD2 4.38Å; V53-Y55 HydrophobicContact CG1-CE1 3.12Å; V53-Y55 HydrophobicContact CG1-CE2 4.15Å; V53-Y55 HydrophobicContact CG1-CG 4.01Å; V53-Y55 PolarHBondContact O-N 3.46Å; V53-P288 CarbonylContact C-O 3.48Å | ||
| 54 | S | 65.6 | Low | 77.7 | Confident | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68 | -28.1 | -170.3 | 82 | 0 | 0 | 0 | 0 | 113.2 | P288 N321 | S54-P288 VanDerWaalsContact CA-O 3.27Å; S54-P288 WeakPolarHBondContact CA-O 3.45Å; S54-P288 VanDerWaalsContact CB-O 3.22Å; S54-P288 WeakPolarHBondContact CB-O 3.19Å; S54-P288 PolarHBondContact N-O 3.36Å; S54-N321 PolarHBondContact O-ND2 2.89Å |
| 55 | Y | 67.3 | Low | 77.7 | Confident | 151 Ų | 151 | 47.9 Ų | 47.9 | 59% | 0.592 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -83.7 | 150 | 178.1 | 62.9 | -103.7 | 0 | 0 | 0 | 112 | V53 K57 | V53-Y55 VanDerWaalsContact C-N 3.28Å; V53-Y55 HydrophobicContact CB-CE1 4.41Å; V53-Y55 HydrophobicContact CG1-CD1 3.38Å; V53-Y55 HydrophobicContact CG1-CD2 4.38Å; V53-Y55 HydrophobicContact CG1-CE1 3.12Å; V53-Y55 HydrophobicContact CG1-CE2 4.15Å; V53-Y55 HydrophobicContact CG1-CG 4.01Å; V53-Y55 PolarHBondContact O-N 3.46Å; Y55-K57 HydrophobicContact CD2-CG 4.37Å; Y55-K57 HydrophobicContact CE2-CG 4.06Å; Y55-K57 PolarHBondContact O-N 3.47Å; Y55-K57 VanDerWaalsContact O-N 3.16Å |
| 56 | I | 69.1 | Low | 77.8 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 42% | 0.415 | 26% | 0.257 | S | S | . | . | trans | -64 | 114.8 | 173.1 | -62 | 166.4 | 0 | 0 | 0 | 107.6 | D60 I61 V327 | I56-D60 HydrophobicContact CG2-CB 4.29Å; I56-I61 HydrophobicContact CG2-CD1 4.05Å; I56-I61 HydrophobicContact CG2-CG1 3.54Å; I56-V327 HydrophobicContact CD1-CG2 4.33Å; I56-V327 HydrophobicContact CG1-CG2 4.26Å; I56-V327 HydrophobicContact CG2-CG2 4.36Å | ||
| 57 | K | 77.4 | Confident | 78.1 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.087 | 26% | 0.256 | C | S | . | . | trans | -75.1 | 150.1 | -179.7 | -60.4 | -178.7 | -60.4 | -51.9 | 0 | 109.4 | Y55 I59 D60 I61 | Y55-K57 HydrophobicContact CD2-CG 4.37Å; Y55-K57 HydrophobicContact CE2-CG 4.06Å; Y55-K57 PolarHBondContact O-N 3.47Å; Y55-K57 VanDerWaalsContact O-N 3.16Å; K57-I59 HydrophobicContact CB-CG2 3.66Å; K57-I59 HydrophobicContact CD-CG2 4.41Å; K57-I59 PolarHBondContact O-N 2.8Å; K57-I59 VanDerWaalsContact O-N 3.14Å; K57-D60 WeakPolarHBondContact CB-OD2 3.42Å; K57-D60 PolarHBondContact N-OD2 3.43Å; K57-D60 VanDerWaalsContact N-OD2 3.17Å; K57-D60 IonicContact NZ-OD1 2.78Å; K57-D60 PolarHBondContact NZ-OD1 3.25Å; K57-D60 IonicContact NZ-OD2 2.68Å; K57-D60 PolarHBondContact NZ-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CA 3.25Å; K57-D60 WeakPolarHBondContact O-CB 3.4Å; K57-D60 PolarHBondContact O-N 3.44Å; K57-I61 PolarHBondContact O-N 3.16Å | ||
| 58 | A | 78.9 | Confident | 78.6 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D60 I61 Y62 Y249 | A58-D60 VanDerWaalsContact C-N 3.32Å; A58-D60 PolarHBondContact O-N 2.96Å; A58-I61 PolarHBondContact O-N 2.83Å; A58-Y62 WeakPolarHBondContact O-CB 3.4Å; A58-Y62 PolarHBondContact O-N 3.19Å; A58-Y249 HydrophobicContact CB-CE2 4.12Å; A58-Y249 WeakPolarHBondContact O-CE2 3.21Å; A58-Y249 PolarHBondContact O-OH 2.99Å |
| 59 | I | 82.4 | Confident | 79.1 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 174.1 | -173.4 | 65.6 | 0 | 0 | 0 | 113 | I3 Y4 T46 L50 K57 Y62 L63 | I3-I59 HydrophobicContact CG2-CD1 4.05Å; Y4-I59 HydrophobicContact CD1-CD1 4.27Å; Y4-I59 HydrophobicContact CE1-CD1 3.61Å; Y4-I59 HydrophobicContact CE2-CD1 4.01Å; Y4-I59 VanDerWaalsContact CZ-CD1 3.47Å; T46-I59 HydrophobicContact CG2-CG1 4.08Å; L50-I59 HydrophobicContact CD1-CG2 4.06Å; K57-I59 HydrophobicContact CB-CG2 3.66Å; K57-I59 HydrophobicContact CD-CG2 4.41Å; K57-I59 PolarHBondContact O-N 2.8Å; K57-I59 VanDerWaalsContact O-N 3.14Å; I59-Y62 HydrophobicContact CD1-CD1 4.18Å; I59-Y62 PolarHBondContact O-N 2.93Å; I59-L63 HydrophobicContact CD1-CG 4.36Å; I59-L63 HydrophobicContact CG1-CD1 4.16Å; I59-L63 HydrophobicContact CG1-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.37Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å |
| 60 | D | 82.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.2 | -39 | -180 | -58.5 | -34.7 | 0 | 0 | 0 | 110.2 | I56 K57 A58 G64 V327 | I56-D60 HydrophobicContact CG2-CB 4.29Å; K57-D60 WeakPolarHBondContact CB-OD2 3.42Å; K57-D60 PolarHBondContact N-OD2 3.43Å; K57-D60 VanDerWaalsContact N-OD2 3.17Å; K57-D60 IonicContact NZ-OD1 2.78Å; K57-D60 PolarHBondContact NZ-OD1 3.25Å; K57-D60 IonicContact NZ-OD2 2.68Å; K57-D60 PolarHBondContact NZ-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CA 3.25Å; K57-D60 WeakPolarHBondContact O-CB 3.4Å; K57-D60 PolarHBondContact O-N 3.44Å; A58-D60 VanDerWaalsContact C-N 3.32Å; A58-D60 PolarHBondContact O-N 2.96Å; D60-G64 PolarHBondContact O-N 2.84Å; D60-V327 HydrophobicContact CB-CG1 3.88Å |
| 61 | I | 82.1 | Confident | 80.1 | Confident | 88 Ų | 88 | 38.2 Ų | 38.2 | 45% | 0.451 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.2 | -59.3 | 174.5 | 0 | 0 | 0 | 110.4 | I56 K57 A58 G64 T65 | I56-I61 HydrophobicContact CG2-CD1 4.05Å; I56-I61 HydrophobicContact CG2-CG1 3.54Å; K57-I61 PolarHBondContact O-N 3.16Å; A58-I61 PolarHBondContact O-N 2.83Å; I61-G64 PolarHBondContact O-N 3.41Å; I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 PolarHBondContact O-N 2.96Å; I61-T65 PolarHBondContact O-OG1 2.91Å |
| 62 | Y | 86.6 | Confident | 81 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -52.6 | 177.5 | 169.2 | -94.2 | 0 | 0 | 0 | 111.7 | Y4 S7 M8 A58 I59 G64 T65 C66 F245 N246 Y249 | Y4-Y62 AromaticContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD2 4.46Å; Y4-Y62 AromaticContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE1 3.46Å; Y4-Y62 VanDerWaalsContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE2 4.28Å; Y4-Y62 HydrophobicContact CD1-CG 4.21Å; Y4-Y62 AromaticContact CD1-CZ 3.79Å; Y4-Y62 AromaticContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD2 4.3Å; Y4-Y62 AromaticContact CE1-CE1 3.89Å; Y4-Y62 HydrophobicContact CE1-CE1 3.89Å; Y4-Y62 AromaticContact CE1-CG 3.84Å; Y4-Y62 HydrophobicContact CE1-CG 3.84Å; S7-Y62 WeakPolarHBondContact OG-CE1 3.3Å; S7-Y62 PolarHBondContact OG-OH 3.17Å; M8-Y62 HydrophobicContact CE-CE2 3.73Å; M8-Y62 WeakPolarHBondContact CE-OH 2.88Å; M8-Y62 WeakPolarHBondContact CG-OH 3.47Å; M8-Y62 PolarHBondContact SD-OH 3.39Å; M8-Y62 VanDerWaalsContact SD-OH 3.33Å; A58-Y62 WeakPolarHBondContact O-CB 3.4Å; A58-Y62 PolarHBondContact O-N 3.19Å; I59-Y62 HydrophobicContact CD1-CD1 4.18Å; I59-Y62 PolarHBondContact O-N 2.93Å; Y62-G64 VanDerWaalsContact C-N 3.31Å; Y62-G64 PolarHBondContact O-N 3.41Å; Y62-T65 PolarHBondContact O-N 3.38Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; Y62-C66 PolarHBondContact O-N 3.35Å; Y62-C66 PolarHBondContact O-SG 3.44Å; Y62-C66 VanDerWaalsContact O-SG 3.38Å; Y62-F245 AromaticContact CD2-CE1 3.99Å; Y62-F245 HydrophobicContact CD2-CE1 3.99Å; Y62-N246 WeakPolarHBondContact CE2-OD1 3.14Å; Y62-Y249 HydrophobicContact CD2-CD1 4.02Å; Y62-Y249 HydrophobicContact CD2-CE1 4.06Å; Y62-Y249 HydrophobicContact CD2-CG 4.28Å; Y62-Y249 HydrophobicContact CG-CE1 4.26Å |
| 63 | L | 85.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 178.1 | -72.1 | 176.9 | 0 | 0 | 0 | 111.7 | I3 T46 I59 T65 C66 F67 | I3-L63 HydrophobicContact CG2-CD1 4.19Å; I3-L63 HydrophobicContact CG2-CD2 3.98Å; I3-L63 HydrophobicContact CG2-CG 4.48Å; T46-L63 HydrophobicContact CG2-CD1 3.95Å; I59-L63 HydrophobicContact CD1-CG 4.36Å; I59-L63 HydrophobicContact CG1-CD1 4.16Å; I59-L63 HydrophobicContact CG1-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.37Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 2.9Å; L63-C66 PolarHBondContact O-N 3.47Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.83Å |
| 64 | G | 86.1 | Confident | 82.7 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D60 I61 Y62 F67 V68 Q331 | D60-G64 PolarHBondContact O-N 2.84Å; I61-G64 PolarHBondContact O-N 3.41Å; Y62-G64 VanDerWaalsContact C-N 3.31Å; Y62-G64 PolarHBondContact O-N 3.41Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 2.89Å; G64-V68 WeakPolarHBondContact O-CG2 3.16Å; G64-V68 PolarHBondContact O-N 2.97Å; G64-Q331 VanDerWaalsContact CA-NE2 3.25Å |
| 65 | T | 86.1 | Confident | 83.7 | Confident | 33 Ų | 33 | 31.9 Ų | 31.9 | 20% | 0.202 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71.5 | -42.9 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | I61 Y62 L63 F67 V68 M69 F245 | I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 PolarHBondContact O-N 2.96Å; I61-T65 PolarHBondContact O-OG1 2.91Å; Y62-T65 PolarHBondContact O-N 3.38Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 2.9Å; T65-F67 PolarHBondContact O-N 2.81Å; T65-V68 PolarHBondContact O-N 2.88Å; T65-M69 WeakPolarHBondContact O-CG 3.15Å; T65-M69 PolarHBondContact O-N 3.43Å; T65-F245 VanDerWaalsContact CB-CE1 3.47Å; T65-F245 HydrophobicContact CG2-CD1 3.6Å; T65-F245 HydrophobicContact CG2-CD2 3.69Å; T65-F245 HydrophobicContact CG2-CE1 3.58Å; T65-F245 HydrophobicContact CG2-CE2 3.66Å; T65-F245 HydrophobicContact CG2-CG 3.65Å; T65-F245 HydrophobicContact CG2-CZ 3.61Å; T65-F245 WeakPolarHBondContact OG1-CE2 3.39Å; T65-F245 WeakPolarHBondContact OG1-CZ 3.38Å |
| 66 | C | 88.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.7 | -43.2 | 171.7 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | V11 M39 Y62 L63 M69 V70 | V11-C66 HydrophobicContact CG2-CB 3.74Å; M39-C66 HydrophobicContact SD-CB 4.25Å; Y62-C66 PolarHBondContact O-N 3.35Å; Y62-C66 PolarHBondContact O-SG 3.44Å; Y62-C66 VanDerWaalsContact O-SG 3.38Å; L63-C66 PolarHBondContact O-N 3.47Å; C66-M69 PolarHBondContact O-N 3.24Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 2.87Å |
| 67 | F | 88.9 | Confident | 85.4 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 177.4 | -165.1 | -109.1 | 0 | 0 | 0 | 112.8 | V36 M39 T40 L63 G64 T65 M69 V70 F71 P332 M335 | V36-F67 HydrophobicContact CG1-CD2 4.38Å; V36-F67 HydrophobicContact CG1-CE2 3.44Å; V36-F67 VanDerWaalsContact CG1-CE2 3.44Å; V36-F67 HydrophobicContact CG1-CZ 3.52Å; V36-F67 WeakPolarHBondContact O-CE2 3.38Å; M39-F67 HydrophobicContact CB-CD2 3.59Å; M39-F67 HydrophobicContact CB-CE2 4.09Å; T40-F67 WeakPolarHBondContact OG1-CE2 3.33Å; T40-F67 WeakPolarHBondContact OG1-CZ 3.17Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.83Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 2.89Å; T65-F67 PolarHBondContact O-N 2.81Å; F67-M69 VanDerWaalsContact C-N 3.31Å; F67-M69 PolarHBondContact O-N 3.19Å; F67-V70 PolarHBondContact O-N 3.08Å; F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.34Å; F67-P332 HydrophobicContact CE1-CB 4.43Å; F67-P332 HydrophobicContact CZ-CB 4.25Å; F67-M335 HydrophobicContact CD1-CB 4.39Å; F67-M335 HydrophobicContact CD1-CG 4.08Å; F67-M335 HydrophobicContact CE1-CB 3.46Å; F67-M335 VanDerWaalsContact CE1-CB 3.46Å; F67-M335 HydrophobicContact CE1-CG 3.57Å; F67-M335 HydrophobicContact CZ-CB 4.11Å |
| 68 | V | 87.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 21.1 Ų | 21.1 | 44% | 0.442 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | G64 T65 F71 A72 | G64-V68 WeakPolarHBondContact O-CG2 3.16Å; G64-V68 PolarHBondContact O-N 2.97Å; T65-V68 PolarHBondContact O-N 2.88Å; V68-F71 PolarHBondContact O-N 3.41Å; V68-A72 WeakPolarHBondContact O-CB 2.86Å; V68-A72 PolarHBondContact O-N 3.15Å |
| 69 | M | 87.7 | Confident | 86.1 | Confident | 19 Ų | 19 | 21.1 Ų | 21.1 | 9% | 0.094 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 176.2 | -70.4 | -62.6 | -174.8 | 0 | 0 | 112.4 | V11 T65 C66 F67 F71 A72 S73 F238 L241 | V11-M69 HydrophobicContact CG1-CB 4.49Å; T65-M69 WeakPolarHBondContact O-CG 3.15Å; T65-M69 PolarHBondContact O-N 3.43Å; C66-M69 PolarHBondContact O-N 3.24Å; F67-M69 VanDerWaalsContact C-N 3.31Å; F67-M69 PolarHBondContact O-N 3.19Å; M69-F71 VanDerWaalsContact C-N 3.31Å; M69-F71 PolarHBondContact O-N 3.15Å; M69-A72 PolarHBondContact O-N 3.02Å; M69-S73 PolarHBondContact O-N 2.68Å; M69-S73 VanDerWaalsContact O-N 3.15Å; M69-F238 HydrophobicContact SD-CD1 4.4Å; M69-L241 HydrophobicContact CE-CB 3.45Å; M69-L241 VanDerWaalsContact CE-CB 3.45Å; M69-L241 HydrophobicContact CE-CD1 4.45Å; M69-L241 HydrophobicContact SD-CB 4.27Å |
| 70 | V | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177 | 179.9 | 0 | 0 | 0 | 0 | 110 | V11 T35 V36 M39 C66 F67 A72 S73 L74 | V11-V70 HydrophobicContact CB-CG2 4.49Å; V11-V70 HydrophobicContact CG2-CG2 3.93Å; T35-V70 WeakPolarHBondContact OG1-CG1 3.16Å; V36-V70 HydrophobicContact CB-CG1 4.45Å; V36-V70 HydrophobicContact CG2-CB 4.33Å; V36-V70 HydrophobicContact CG2-CG1 3.53Å; M39-V70 HydrophobicContact CG-CG2 4.19Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 2.87Å; F67-V70 PolarHBondContact O-N 3.08Å; V70-A72 PolarHBondContact O-N 2.9Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 3.12Å; V70-S73 PolarHBondContact O-OG 3.27Å; V70-L74 PolarHBondContact O-N 3.5Å |
| 71 | F | 87.6 | Confident | 86.3 | Confident | 17 Ų | 17 | 20.8 Ų | 20.8 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.7 | -179.7 | -111.8 | 0 | 0 | 0 | 112.8 | F67 V68 M69 S73 L74 I75 M335 T338 I339 | F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.34Å; V68-F71 PolarHBondContact O-N 3.41Å; M69-F71 VanDerWaalsContact C-N 3.31Å; M69-F71 PolarHBondContact O-N 3.15Å; F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 3.42Å; F71-L74 WeakPolarHBondContact O-CB 3.26Å; F71-L74 PolarHBondContact O-N 2.67Å; F71-I75 HydrophobicContact CD1-CD1 3.92Å; F71-I75 HydrophobicContact CE1-CD1 3.33Å; F71-I75 HydrophobicContact CE1-CG1 4.09Å; F71-I75 HydrophobicContact CZ-CD1 3.72Å; F71-I75 HydrophobicContact CZ-CG1 4.06Å; F71-I75 PolarHBondContact O-N 3.3Å; F71-I75 VanDerWaalsContact O-N 3.15Å; F71-M335 HydrophobicContact CD1-SD 3.51Å; F71-M335 VanDerWaalsContact CD1-SD 3.51Å; F71-M335 HydrophobicContact CD2-SD 4.46Å; F71-M335 HydrophobicContact CE1-SD 3.51Å; F71-M335 VanDerWaalsContact CE1-SD 3.51Å; F71-M335 HydrophobicContact CE2-SD 4.49Å; F71-M335 HydrophobicContact CG-SD 4Å; F71-M335 HydrophobicContact CZ-SD 4.05Å; F71-T338 HydrophobicContact CE1-CG2 4.48Å; F71-T338 HydrophobicContact CE2-CG2 4.33Å; F71-T338 HydrophobicContact CZ-CG2 3.57Å; F71-I339 HydrophobicContact CD2-CD1 4.05Å; F71-I339 HydrophobicContact CD2-CG1 3.75Å; F71-I339 HydrophobicContact CE2-CD1 4.35Å; F71-I339 HydrophobicContact CE2-CG1 3.57Å |
| 72 | A | 88.1 | Confident | 86.4 | Confident | 27 Ų | 27 | 21.5 Ų | 21.5 | 22% | 0.223 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -30.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V68 M69 V70 L74 I75 E76 F238 | V68-A72 WeakPolarHBondContact O-CB 2.86Å; V68-A72 PolarHBondContact O-N 3.15Å; M69-A72 PolarHBondContact O-N 3.02Å; V70-A72 PolarHBondContact O-N 2.9Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.86Å; A72-I75 PolarHBondContact O-N 3.36Å; A72-E76 WeakPolarHBondContact O-CB 3.11Å; A72-E76 PolarHBondContact O-N 3.39Å; A72-F238 HydrophobicContact CB-CD1 4.35Å; A72-F238 HydrophobicContact CB-CE1 3.34Å; A72-F238 HydrophobicContact CB-CZ 3.83Å |
| 73 | S | 85.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -33.9 | 170.9 | 81.8 | 0 | 0 | 0 | 0 | 113.2 | F18 M69 V70 F71 Y77 | F18-S73 VanDerWaalsContact CZ-CB 3.47Å; M69-S73 PolarHBondContact O-N 2.68Å; M69-S73 VanDerWaalsContact O-N 3.15Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 3.12Å; V70-S73 PolarHBondContact O-OG 3.27Å; F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 3.42Å; S73-Y77 PolarHBondContact O-N 2.85Å |
| 74 | L | 85.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.2 | -40.6 | 175.4 | -76.8 | 176.8 | 0 | 0 | 0 | 112.3 | V36 V70 F71 A72 E76 Y77 A78 I339 | V36-L74 HydrophobicContact CG2-CD1 3.59Å; V70-L74 PolarHBondContact O-N 3.5Å; F71-L74 WeakPolarHBondContact O-CB 3.26Å; F71-L74 PolarHBondContact O-N 2.67Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.86Å; L74-E76 VanDerWaalsContact C-N 3.31Å; L74-Y77 PolarHBondContact O-N 2.78Å; L74-A78 PolarHBondContact O-N 3.44Å; L74-I339 HydrophobicContact CD1-CD1 3.88Å; L74-I339 HydrophobicContact CD1-CG1 4.01Å |
| 75 | I | 86.3 | Confident | 86.2 | Confident | 83 Ų | 83 | 29 Ų | 29 | 43% | 0.426 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176 | -70.9 | 175.6 | 0 | 0 | 0 | 110.5 | F71 A72 Y77 A78 A79 | F71-I75 HydrophobicContact CD1-CD1 3.92Å; F71-I75 HydrophobicContact CE1-CD1 3.33Å; F71-I75 HydrophobicContact CE1-CG1 4.09Å; F71-I75 HydrophobicContact CZ-CD1 3.72Å; F71-I75 HydrophobicContact CZ-CG1 4.06Å; F71-I75 PolarHBondContact O-N 3.3Å; F71-I75 VanDerWaalsContact O-N 3.15Å; A72-I75 PolarHBondContact O-N 3.36Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.28Å; I75-A78 WeakPolarHBondContact O-CB 3.2Å; I75-A78 PolarHBondContact O-N 3.16Å; I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 3.31Å |
| 76 | E | 86.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -50.8 | 175.5 | -168.9 | -78.6 | 164.7 | 0 | 0 | 111.3 | F18 R28 A72 L74 A78 A79 V80 I230 S234 F238 | F18-E76 HydrophobicContact CE1-CB 4.12Å; F18-E76 HydrophobicContact CE1-CG 3.96Å; F18-E76 WeakPolarHBondContact CE1-OE2 3.2Å; R28-E76 IonicContact NH2-OE2 3.31Å; R28-E76 PolarHBondContact NH2-OE2 3.37Å; A72-E76 WeakPolarHBondContact O-CB 3.11Å; A72-E76 PolarHBondContact O-N 3.39Å; L74-E76 VanDerWaalsContact C-N 3.31Å; E76-A78 VanDerWaalsContact C-N 3.31Å; E76-A78 PolarHBondContact O-N 3.14Å; E76-A79 PolarHBondContact O-N 2.97Å; E76-V80 WeakPolarHBondContact O-CB 3.29Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.12Å; E76-V80 VanDerWaalsContact OE1-CG2 3.29Å; E76-V80 WeakPolarHBondContact OE1-CG2 3.42Å; E76-I230 HydrophobicContact CG-CG2 4.18Å; E76-S234 WeakPolarHBondContact CG-OG 3.25Å; E76-S234 WeakPolarHBondContact OE1-CB 3.18Å; E76-S234 PolarHBondContact OE1-OG 3.23Å; E76-F238 HydrophobicContact CB-CE2 4.18Å; E76-F238 HydrophobicContact CG-CE2 4.1Å |
| 77 | Y | 84.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 177.1 | 167.4 | -100.9 | 0 | 0 | 0 | 111.9 | S25 R28 V29 S73 L74 I75 A79 V80 S81 I346 | S25-Y77 WeakPolarHBondContact CA-OH 3.32Å; S25-Y77 WeakPolarHBondContact CB-OH 3.35Å; S25-Y77 PolarHBondContact O-OH 3.01Å; S25-Y77 PolarHBondContact OG-OH 3.47Å; R28-Y77 HydrophobicContact CB-CD2 4.08Å; R28-Y77 HydrophobicContact CB-CE2 3.94Å; R28-Y77 VanDerWaalsContact NE-CD2 3.34Å; V29-Y77 HydrophobicContact CG2-CD1 3.92Å; V29-Y77 HydrophobicContact CG2-CE1 3.11Å; S73-Y77 PolarHBondContact O-N 2.85Å; L74-Y77 PolarHBondContact O-N 2.78Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.28Å; Y77-A79 PolarHBondContact O-N 3.12Å; Y77-V80 PolarHBondContact O-N 3.23Å; Y77-S81 VanDerWaalsContact O-CB 3.23Å; Y77-S81 WeakPolarHBondContact O-CB 3.31Å; Y77-S81 PolarHBondContact O-N 2.9Å; Y77-I346 HydrophobicContact CE1-CD1 3.8Å; Y77-I346 WeakPolarHBondContact OH-CD1 3.02Å |
| 78 | A | 85.4 | Confident | 86 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L74 I75 E76 S81 Y82 V342 W345 | L74-A78 PolarHBondContact O-N 3.44Å; I75-A78 WeakPolarHBondContact O-CB 3.2Å; I75-A78 PolarHBondContact O-N 3.16Å; E76-A78 VanDerWaalsContact C-N 3.31Å; E76-A78 PolarHBondContact O-N 3.14Å; A78-S81 PolarHBondContact O-N 3.15Å; A78-Y82 WeakPolarHBondContact O-CB 3.12Å; A78-Y82 PolarHBondContact O-N 2.83Å; A78-V342 HydrophobicContact CB-CG1 3.77Å; A78-W345 HydrophobicContact CB-CB 4.18Å |
| 79 | A | 85.9 | Confident | 85.9 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I75 E76 Y77 Y82 L83 | I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 3.31Å; E76-A79 PolarHBondContact O-N 2.97Å; Y77-A79 PolarHBondContact O-N 3.12Å; A79-Y82 PolarHBondContact O-N 3.44Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.03Å |
| 80 | V | 86 | Confident | 86.1 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 176.7 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | R22 E76 Y77 Y82 L83 N84 P227 I230 D231 | R22-V80 HydrophobicContact CG-CG1 4.38Å; E76-V80 WeakPolarHBondContact O-CB 3.29Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.12Å; E76-V80 VanDerWaalsContact OE1-CG2 3.29Å; E76-V80 WeakPolarHBondContact OE1-CG2 3.42Å; Y77-V80 PolarHBondContact O-N 3.23Å; V80-Y82 PolarHBondContact O-N 3.19Å; V80-L83 PolarHBondContact O-N 3.36Å; V80-N84 VanDerWaalsContact CG1-ND2 3.35Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.48Å; V80-N84 WeakPolarHBondContact O-CB 3.36Å; V80-N84 PolarHBondContact O-N 3.31Å; V80-N84 PolarHBondContact O-ND2 3.25Å; V80-P227 HydrophobicContact CG1-CB 4.26Å; V80-I230 HydrophobicContact CG2-CB 4.1Å; V80-I230 HydrophobicContact CG2-CG2 3.8Å; V80-D231 WeakPolarHBondContact CG1-OD2 3.31Å |
| 81 | S | 82.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | Y77 A78 N84 K85 | Y77-S81 VanDerWaalsContact O-CB 3.23Å; Y77-S81 WeakPolarHBondContact O-CB 3.31Å; Y77-S81 PolarHBondContact O-N 2.9Å; A78-S81 PolarHBondContact O-N 3.15Å; S81-N84 PolarHBondContact O-N 3.24Å; S81-K85 WeakPolarHBondContact O-CB 3.44Å; S81-K85 PolarHBondContact O-N 3.32Å |
| 82 | Y | 83.5 | Confident | 86.4 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.7 | 175.1 | -105.8 | 0 | 0 | 0 | 112.6 | A78 A79 V80 K85 K86 W345 | A78-Y82 WeakPolarHBondContact O-CB 3.12Å; A78-Y82 PolarHBondContact O-N 2.83Å; A79-Y82 PolarHBondContact O-N 3.44Å; V80-Y82 PolarHBondContact O-N 3.19Å; Y82-K85 PolarHBondContact O-N 3.09Å; Y82-K86 WeakPolarHBondContact O-CB 3.49Å; Y82-K86 PolarHBondContact O-N 3.43Å; Y82-W345 HydrophobicContact CD1-CE3 4.47Å; Y82-W345 HydrophobicContact CD1-CZ3 4.28Å; Y82-W345 HydrophobicContact CD2-CE3 4.08Å; Y82-W345 HydrophobicContact CD2-CZ3 4.38Å; Y82-W345 AromaticContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CZ3 4.2Å |
| 83 | L | 86.2 | Confident | 86.6 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 178.4 | -71.1 | 171 | 0 | 0 | 0 | 112.2 | A79 V80 K86 M87 V225 P227 I230 | A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.03Å; V80-L83 PolarHBondContact O-N 3.36Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 2.87Å; L83-V225 HydrophobicContact CD1-CG1 4.5Å; L83-P227 HydrophobicContact CB-CB 4.38Å; L83-I230 HydrophobicContact CD1-CD1 3.14Å |
| 84 | N | 83.5 | Confident | 87 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.8 | -70.3 | -35.6 | 0 | 0 | 0 | 111.4 | R22 V80 S81 K86 M87 K88 P227 | R22-N84 WeakPolarHBondContact CD-ND2 3.38Å; V80-N84 VanDerWaalsContact CG1-ND2 3.35Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.48Å; V80-N84 WeakPolarHBondContact O-CB 3.36Å; V80-N84 PolarHBondContact O-N 3.31Å; V80-N84 PolarHBondContact O-ND2 3.25Å; S81-N84 PolarHBondContact O-N 3.24Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.35Å; N84-M87 PolarHBondContact O-N 2.66Å; N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.85Å; N84-P227 WeakPolarHBondContact OD1-CB 3.19Å; N84-P227 WeakPolarHBondContact OD1-CG 3.29Å |
| 85 | K | 84.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 176.6 | -175 | -178.7 | 178.8 | -172.7 | 0 | 111.3 | S81 Y82 M87 K88 M89 | S81-K85 WeakPolarHBondContact O-CB 3.44Å; S81-K85 PolarHBondContact O-N 3.32Å; Y82-K85 PolarHBondContact O-N 3.09Å; K85-M87 VanDerWaalsContact C-N 3.32Å; K85-M87 PolarHBondContact O-N 3.24Å; K85-K88 PolarHBondContact O-N 2.9Å; K85-M89 HydrophobicContact CG-CE 4.34Å; K85-M89 WeakPolarHBondContact O-CG 2.97Å; K85-M89 PolarHBondContact O-N 3.32Å |
| 86 | K | 86 | Confident | 87.8 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.4 | -172.1 | 173.8 | -176.9 | 173.7 | 0 | 112.1 | Y82 L83 N84 R90 | Y82-K86 WeakPolarHBondContact O-CB 3.49Å; Y82-K86 PolarHBondContact O-N 3.43Å; L83-K86 PolarHBondContact O-N 2.89Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.35Å; K86-R90 WeakPolarHBondContact O-CG 3.39Å; K86-R90 PolarHBondContact O-N 3.39Å |
| 87 | M | 86 | Confident | 88 | Confident | 63 Ų | 63 | 80 Ų | 80 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 175.8 | -72.7 | -177 | 65.5 | 0 | 0 | 112.7 | L83 N84 K85 R90 R91 P227 | L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 2.87Å; N84-M87 PolarHBondContact O-N 2.66Å; K85-M87 VanDerWaalsContact C-N 3.32Å; K85-M87 PolarHBondContact O-N 3.24Å; M87-R90 PolarHBondContact O-N 2.75Å; M87-R91 WeakPolarHBondContact O-CG 3.21Å; M87-R91 PolarHBondContact O-N 3.03Å; M87-P227 WeakPolarHBondContact SD-CD 3.35Å; M87-P227 HydrophobicContact SD-CG 3.6Å; M87-P227 VanDerWaalsContact SD-CG 3.6Å |
| 88 | K | 87.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 176.1 | -175.6 | 179.5 | 175.2 | -178 | 0 | 111.1 | N84 K85 R90 R91 E92 | N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.85Å; K85-K88 PolarHBondContact O-N 2.9Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 PolarHBondContact O-N 3.02Å; K88-R91 WeakPolarHBondContact O-CA 3.44Å; K88-R91 WeakPolarHBondContact O-CB 3.48Å; K88-R91 PolarHBondContact O-N 3.15Å; K88-E92 WeakPolarHBondContact CE-OE1 3.37Å; K88-E92 WeakPolarHBondContact CG-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.02Å; K88-E92 PolarHBondContact O-N 2.8Å |
| 89 | M | 86.7 | Confident | 88.7 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 175.9 | -69.2 | -173.6 | -62.8 | 0 | 0 | 112.3 | K85 E92 Q93 | K85-M89 HydrophobicContact CG-CE 4.34Å; K85-M89 WeakPolarHBondContact O-CG 2.97Å; K85-M89 PolarHBondContact O-N 3.32Å; M89-E92 PolarHBondContact O-N 2.95Å; M89-Q93 WeakPolarHBondContact O-CG 3.31Å; M89-Q93 PolarHBondContact O-N 3.33Å |
| 90 | R | 90.7 | Very high | 89 | Confident | 120 Ų | 120 | 94.2 Ų | 94.2 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.8 | -32.8 | 175.4 | -74.5 | 175.5 | 171.5 | -171.2 | -2.9 | 113.1 | K86 M87 K88 R94 | K86-R90 WeakPolarHBondContact O-CG 3.39Å; K86-R90 PolarHBondContact O-N 3.39Å; M87-R90 PolarHBondContact O-N 2.75Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 PolarHBondContact O-N 3.02Å; R90-R94 PolarHBondContact O-N 3.17Å; R90-R94 PolarHBondContact O-NH1 3.27Å |
| 91 | R | 91.2 | Very high | 89.1 | Confident | 142 Ų | 142 | 98.9 Ų | 98.9 | 54% | 0.536 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.6 | -44.6 | 174.8 | -73.3 | 172.5 | 178.6 | -179.7 | -0.6 | 110.4 | M87 K88 Q93 R94 Q95 | M87-R91 WeakPolarHBondContact O-CG 3.21Å; M87-R91 PolarHBondContact O-N 3.03Å; K88-R91 WeakPolarHBondContact O-CA 3.44Å; K88-R91 WeakPolarHBondContact O-CB 3.48Å; K88-R91 PolarHBondContact O-N 3.15Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 2.66Å; R91-R94 VanDerWaalsContact CG-NH2 3.32Å; R91-R94 PolarHBondContact O-N 3.2Å; R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.28Å |
| 92 | E | 91.9 | Very high | 89.2 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 31% | 0.313 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176 | -69.6 | 172.6 | -169.4 | 0 | 0 | 112.2 | K88 M89 Q95 R96 | K88-E92 WeakPolarHBondContact CE-OE1 3.37Å; K88-E92 WeakPolarHBondContact CG-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.02Å; K88-E92 PolarHBondContact O-N 2.8Å; M89-E92 PolarHBondContact O-N 2.95Å; E92-Q95 PolarHBondContact O-N 2.81Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.46Å |
| 93 | Q | 93 | Very high | 89.2 | Confident | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 174.6 | -77.9 | 176.4 | -13.3 | 0 | 0 | 112.6 | M89 R91 R96 Q97 | M89-Q93 WeakPolarHBondContact O-CG 3.31Å; M89-Q93 PolarHBondContact O-N 3.33Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 2.66Å; Q93-R96 PolarHBondContact O-N 3.13Å; Q93-Q97 PolarHBondContact O-N 3.3Å |
| 94 | R | 93.5 | Very high | 89.1 | Confident | 126 Ų | 126 | 112.4 Ų | 112.4 | 48% | 0.475 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 176 | -73.2 | -170.3 | -65.1 | -85.8 | 5.2 | 111.7 | R90 R91 R96 Q97 E98 | R90-R94 PolarHBondContact O-N 3.17Å; R90-R94 PolarHBondContact O-NH1 3.27Å; R91-R94 VanDerWaalsContact CG-NH2 3.32Å; R91-R94 PolarHBondContact O-N 3.2Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.07Å; R94-Q97 WeakPolarHBondContact O-CB 3.35Å; R94-Q97 PolarHBondContact O-N 3.18Å; R94-Q97 VanDerWaalsContact O-N 3.1Å; R94-E98 WeakPolarHBondContact O-CG 3.21Å; R94-E98 PolarHBondContact O-N 3.3Å |
| 95 | Q | 93.9 | Very high | 88.7 | Confident | 107 Ų | 107 | 118.2 Ų | 118.2 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 175.8 | -70.6 | 173.3 | -12.4 | 0 | 0 | 112.4 | R91 E92 Q97 E98 K99 | R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.28Å; E92-Q95 PolarHBondContact O-N 2.81Å; Q95-Q97 VanDerWaalsContact C-N 3.35Å; Q95-E98 PolarHBondContact O-N 3.2Å; Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.08Å |
| 96 | R | 94.2 | Very high | 88 | Confident | 170 Ų | 170 | 119.7 Ų | 119.7 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -40.4 | 173.1 | -72.7 | 174.7 | -168.7 | -164.5 | 4.7 | 111.6 | E92 Q93 R94 K99 V100 | E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.46Å; Q93-R96 PolarHBondContact O-N 3.13Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.07Å; R96-K99 PolarHBondContact O-N 3.26Å; R96-V100 WeakPolarHBondContact O-CG2 3.17Å; R96-V100 PolarHBondContact O-N 2.97Å; R96-V100 VanDerWaalsContact O-N 3.07Å |
| 97 | Q | 92.1 | Very high | 87.2 | Confident | 131 Ų | 131 | 122.4 Ų | 122.4 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.3 | -41.9 | 177.2 | -171.3 | 172.8 | 6.1 | 0 | 0 | 111.7 | Q93 R94 Q95 V100 V101 | Q93-Q97 PolarHBondContact O-N 3.3Å; R94-Q97 WeakPolarHBondContact O-CB 3.35Å; R94-Q97 PolarHBondContact O-N 3.18Å; R94-Q97 VanDerWaalsContact O-N 3.1Å; Q95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-V100 PolarHBondContact O-N 2.96Å; Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 2.95Å |
| 98 | E | 92 | Very high | 86.4 | Confident | 122 Ų | 122 | 124.9 Ų | 124.9 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.2 | -42.9 | 174.8 | -72.2 | 161.2 | -168.7 | 0 | 0 | 111.5 | R94 Q95 V100 V101 Q102 | R94-E98 WeakPolarHBondContact O-CG 3.21Å; R94-E98 PolarHBondContact O-N 3.3Å; Q95-E98 PolarHBondContact O-N 3.2Å; E98-V100 PolarHBondContact O-N 3.04Å; E98-V101 PolarHBondContact O-N 2.89Å; E98-Q102 PolarHBondContact O-N 3.46Å |
| 99 | K | 92.3 | Very high | 85.5 | Confident | 142 Ų | 142 | 123.6 Ų | 123.6 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.3 | -39.6 | 175.4 | -73.5 | 177.9 | -177.6 | -168.4 | 0 | 113.2 | Q95 R96 Q102 Q103 | Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.08Å; R96-K99 PolarHBondContact O-N 3.26Å; K99-Q102 PolarHBondContact O-N 3.36Å; K99-Q103 PolarHBondContact O-N 3.43Å; K99-Q103 VanDerWaalsContact O-N 3.1Å |
| 100 | V | 91 | Very high | 84.3 | Confident | 86 Ų | 86 | 124.7 Ų | 124.7 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | R96 Q97 E98 Q102 Q103 V104 | R96-V100 WeakPolarHBondContact O-CG2 3.17Å; R96-V100 PolarHBondContact O-N 2.97Å; R96-V100 VanDerWaalsContact O-N 3.07Å; Q97-V100 PolarHBondContact O-N 2.96Å; E98-V100 PolarHBondContact O-N 3.04Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 2.81Å; V100-Q103 PolarHBondContact O-N 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 2.85Å; V100-V104 VanDerWaalsContact O-N 3.13Å |
| 101 | V | 89.2 | Confident | 83 | Confident | 101 Ų | 101 | 124.3 Ų | 124.3 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.4 | -36.6 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | Q97 E98 V104 | Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 2.95Å; E98-V101 PolarHBondContact O-N 2.89Å; V101-V104 PolarHBondContact O-N 3.36Å |
| 102 | Q | 85.8 | Confident | 81.6 | Confident | 168 Ų | 168 | 122.8 Ų | 122.8 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.7 | -29.8 | 177.4 | -165.2 | 173.5 | 9.6 | 0 | 0 | 113.3 | E98 K99 V100 | E98-Q102 PolarHBondContact O-N 3.46Å; K99-Q102 PolarHBondContact O-N 3.36Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 2.81Å |
| 103 | Q | 82.4 | Confident | 79.6 | Confident | 166 Ų | 166 | 124.7 Ų | 124.7 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76 | -26.7 | 174 | -83 | -176.8 | -30.8 | 0 | 0 | 113.4 | K99 V100 Q105 | K99-Q103 PolarHBondContact O-N 3.43Å; K99-Q103 VanDerWaalsContact O-N 3.1Å; V100-Q103 PolarHBondContact O-N 3.25Å; Q103-Q105 VanDerWaalsContact C-N 3.3Å; Q103-Q105 PolarHBondContact O-N 3Å |
| 104 | V | 84.3 | Confident | 77.7 | Confident | 103 Ų | 103 | 123.4 Ų | 123.4 | 62% | 0.624 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -78.1 | 86.3 | 171.5 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | V100 V101 | V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 2.85Å; V100-V104 VanDerWaalsContact O-N 3.13Å; V101-V104 PolarHBondContact O-N 3.36Å |
| 105 | Q | 74.9 | Confident | 75.3 | Confident | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 131.3 | 174.7 | -158.1 | 157.8 | 18.1 | 0 | 0 | 109 | Q103 L107 | Q103-Q105 VanDerWaalsContact C-N 3.3Å; Q103-Q105 PolarHBondContact O-N 3Å; Q105-L107 PolarHBondContact O-N 2.85Å |
| 106 | P | 69.1 | Low | 72.8 | Confident | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.6 | 176.3 | -19.7 | 30.3 | 0 | 0 | 0 | 108.8 | ||
| 107 | L | 69.6 | Low | 70.1 | Confident | 141 Ų | 141 | 126.4 Ų | 126.4 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 135.6 | 168.7 | -83.4 | 159.2 | 0 | 0 | 0 | 108.2 | Q105 A109 M209 | Q105-L107 PolarHBondContact O-N 2.85Å; L107-A109 PolarHBondContact O-N 2.92Å; L107-M209 HydrophobicContact CD1-CE 4.28Å |
| 108 | P | 69.9 | Low | 67.5 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.7 | 175.9 | 20.8 | -29.4 | 0 | 0 | 0 | 108.6 | ||
| 109 | A | 68.8 | Low | 64.8 | Low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 135.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L107 | L107-A109 PolarHBondContact O-N 2.92Š|
| 110 | P | 59.4 | Low | 62.3 | Low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.9 | 170.9 | 23.4 | -30.8 | 0 | 0 | 0 | 107.7 | ||
| 111 | P | 64.6 | Low | 59.7 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 144.7 | 179.8 | 22.6 | -31.8 | 0 | 0 | 0 | 109 | A113 | P111-A113 PolarHBondContact O-N 3.3Š|
| 112 | P | 61.3 | Low | 56.8 | Low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.9 | 172.6 | 25 | -32.1 | 0 | 0 | 0 | 107.7 | S114 | P112-S114 PolarHBondContact O-N 2.97Š|
| 113 | A | 51.2 | Low | 54.4 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -65.3 | 80.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | P111 | P111-A113 PolarHBondContact O-N 3.3Š| ||
| 114 | S | 52.7 | Low | 51.9 | Low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 121.8 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 107 | P112 | P112-S114 PolarHBondContact O-N 2.97Š| ||
| 115 | E | 42.6 | Very low | 49.3 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -45 | 140.9 | -178.7 | -71.6 | 144.7 | 144.6 | 0 | 0 | 112.4 | M117 | E115-M117 PolarHBondContact O-N 3.41Š| ||
| 116 | A | 41.1 | Very low | 47 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -52.3 | 101 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I118 | A116-I118 PolarHBondContact O-N 3.5Š| ||
| 117 | M | 37.3 | Very low | 44.9 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -80.7 | 103.7 | 173.3 | -150.1 | 168 | -168.8 | 0 | 0 | 106.7 | E115 D119 | E115-M117 PolarHBondContact O-N 3.41Å; M117-D119 PolarHBondContact O-N 2.92Å | ||
| 118 | I | 38.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 116 | 170.8 | -64.5 | 165.3 | 0 | 0 | 0 | 106.8 | A116 P120 | A116-I118 PolarHBondContact O-N 3.5Å; I118-P120 VanDerWaalsContact O-CD 3.31Å; I118-P120 WeakPolarHBondContact O-CD 3.38Å | ||
| 119 | D | 34.5 | Very low | 41.2 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -82.6 | 116 | 172 | -124.6 | -12.9 | 0 | 0 | 0 | 108.7 | M117 | M117-D119 PolarHBondContact O-N 2.92Š| ||
| 120 | P | 39.5 | Very low | 39 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | -101.5 | 133.2 | 168.9 | 33.7 | -20.4 | 0 | 0 | 0 | 109.2 | I118 | I118-P120 VanDerWaalsContact O-CD 3.31Å; I118-P120 WeakPolarHBondContact O-CD 3.38Å | ||
| 121 | L | 37.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 136.6 | 85.3 | 155.9 | -75.9 | 147.9 | 0 | 0 | 0 | 111.5 | ||||
| 122 | M | 28 | Very low | 35.7 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -119.4 | 109.3 | 145.3 | -150.8 | -165.9 | -62.6 | 0 | 0 | 107.2 | L124 | M122-L124 PolarHBondContact O-N 2.9Š| ||
| 123 | P | 35.2 | Very low | 34.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 113.7 | 172.1 | 21.2 | -11.2 | 0 | 0 | 0 | 109.1 | ||||
| 124 | L | 29.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -61.2 | 139.9 | 159.2 | -147.1 | 105.5 | 0 | 0 | 0 | 108.2 | M122 | M122-L124 PolarHBondContact O-N 2.9Š| ||
| 125 | V | 29.3 | Very low | 31.8 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | trans | 151.8 | 118.2 | 130.8 | 164.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 126 | R | 26.8 | Very low | 30.9 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 79% | 0.789 | 79% | 0.791 | S | S | * | * | trans | 68.4 | 124.7 | 137.3 | -78.8 | 176.3 | -179.1 | 160.9 | -1.4 | 123.3 | ||||
| 127 | N | 26.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 67.4 | 110.9 | 126.6 | -61.9 | -1.3 | 0 | 0 | 0 | 118.1 | |||||
| 128 | A | 31.5 | Very low | 29.8 | Very low | 90 Ų | 90 | 144 Ų | 144 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | -177.6 | 121.8 | 115 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 129 | S | 28.7 | Very low | 29 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 41.9 | 114 | 140.8 | 55.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 130 | L | 24 | Very low | 28.4 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | 15.7 | 148.5 | 124.6 | -66.9 | 166.6 | 0 | 0 | 0 | 119.4 | |||||
| 131 | P | 30.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -145.7 | 157.3 | 38.2 | 39.1 | -17.7 | 0 | 0 | 0 | 118.8 | ||||
| 132 | F | 24.6 | Very low | 27 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 49.1 | 106.6 | 135.2 | -130.5 | -95.6 | 0 | 0 | 0 | 121.1 | ||||
| 133 | V | 28.1 | Very low | 26.9 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | -160.8 | 129.8 | 121.2 | 170.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 134 | A | 24.4 | Very low | 26.5 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -83.6 | 143.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 135 | V | 29.3 | Very low | 26.3 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | trans | -152.6 | 126.7 | 133.6 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 136 | N | 23.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -53.8 | 143.4 | 172.8 | -79 | -37.3 | 0 | 0 | 0 | 113.4 | ||||
| 137 | Y | 29.8 | Very low | 26.1 | Very low | 227 Ų | 227 | 139.4 Ų | 139.4 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | -165.6 | 129.7 | 108.8 | -98.6 | -74.8 | 0 | 0 | 0 | 109.9 | |||||
| 138 | L | 25.9 | Very low | 26.3 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | -58.5 | 152.3 | 178.9 | -68.6 | 73.8 | 0 | 0 | 0 | 112 | ||||
| 139 | S | 22.9 | Very low | 26.1 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 141.2 | 96.6 | 108.7 | 175.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 140 | W | 21.7 | Very low | 25.9 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | 64.3 | 105.6 | 134.3 | -58.4 | 97.1 | 0 | 0 | 0 | 118.3 | ||||
| 141 | N | 23.9 | Very low | 26 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | 100.5 | 110 | 63.9 | -99.5 | 11.1 | 0 | 0 | 0 | 113.6 | |||||
| 142 | E | 23 | Very low | 25.8 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | 45 | 132.5 | 125.8 | -131 | 87.7 | -165.3 | 0 | 0 | 123.2 | |||||
| 143 | A | 26.3 | Very low | 25.8 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -72.8 | 170 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 144 | P | 26.8 | Very low | 25.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -120.7 | 163.7 | 159.2 | 35.8 | -21.9 | 0 | 0 | 0 | 115.1 | ||||
| 145 | Q | 25.1 | Very low | 25.7 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -99.5 | 162.9 | -161.1 | -62.2 | 167.1 | -23.9 | 0 | 0 | 115.3 | ||||
| 146 | S | 24.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 89.5 | 128.1 | 137.6 | 77.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 147 | C | 26.7 | Very low | 25.4 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | 178 | 163.3 | 128.2 | -97.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 148 | P | 31.5 | Very low | 25.7 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -126.9 | 176.9 | -132.8 | 43.9 | -31.3 | 0 | 0 | 0 | 118 | ||||
| 149 | S | 27.5 | Very low | 25.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 89.6 | 107.2 | 144.2 | -65.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 150 | R | 24.7 | Very low | 25.7 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | 74.4 | 106 | 117.5 | -158.2 | 179.1 | -162.7 | -164.5 | 4.6 | 119.7 | |||||
| 151 | C | 25 | Very low | 25.8 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -141.6 | 137.4 | 151.7 | -87 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 152 | V | 26.4 | Very low | 26.5 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -97.6 | 142.5 | -160.8 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 153 | Y | 24 | Very low | 26.5 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 139.6 | 178.7 | -75.6 | -92.2 | 0 | 0 | 0 | 112.6 | ||||
| 154 | A | 26.7 | Very low | 26.6 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -120.1 | 133.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 155 | T | 23.5 | Very low | 26.6 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -83.9 | 151.7 | -173.7 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 156 | G | 25.6 | Very low | 26.6 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 170 | 107.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 157 | M | 22.7 | Very low | 26.7 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -76.9 | -170.8 | 157.4 | -55.7 | -179.1 | 171.6 | 0 | 0 | 110.3 | ||||
| 158 | P | 35.4 | Very low | 26.8 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | -138.3 | -178.8 | -13.3 | 23.9 | 2.4 | 0 | 0 | 0 | 115.6 | ||||
| 159 | T | 25.1 | Very low | 26.5 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 117.6 | 123.1 | 136.9 | 71.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 160 | K | 23.2 | Very low | 26.3 | Very low | 197 Ų | 197 | 150.5 Ų | 150.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | 81.8 | 103.7 | 145.3 | -73.3 | 177.1 | -179.7 | -178.8 | 0 | 122.4 | ||||
| 161 | N | 23.9 | Very low | 26.4 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | 39.9 | 163.6 | 125.5 | -87.7 | 10 | 0 | 0 | 0 | 122.4 | |||||
| 162 | P | 38.2 | Very low | 26.8 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 58% | 0.578 | 81% | 0.81 | S | S | * | * | cis | -136.6 | 174.2 | -22.3 | 27.6 | -4 | 0 | 0 | 0 | 115.2 | ||||
| 163 | Y | 24.7 | Very low | 26.6 | Very low | 191 Ų | 191 | 150.3 Ų | 150.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 107.6 | 120.9 | 156.7 | -65.9 | -74.5 | 0 | 0 | 0 | 121.2 | ||||
| 164 | Y | 27.7 | Very low | 26.7 | Very low | 206 Ų | 206 | 149.8 Ų | 149.8 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | 74.2 | 104.1 | 167.7 | -55.9 | -75.8 | 0 | 0 | 0 | 117.7 | ||||
| 165 | L | 26.9 | Very low | 26.5 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 82 | 98.6 | 62 | -163.7 | 94.3 | 0 | 0 | 0 | 112.8 | |||||
| 166 | T | 25.2 | Very low | 26.6 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | 171.3 | 128.6 | 125.5 | 37.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 167 | G | 25.4 | Very low | 26.6 | Very low | 74 Ų | 74 | 154.1 Ų | 154.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -90.6 | 166.4 | -161 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 168 | V | 30.2 | Very low | 26.7 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -141.9 | 147.7 | 148.6 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 169 | K | 25.3 | Very low | 26.2 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -66.9 | 162.5 | -160.7 | -113.4 | 162.8 | 168 | 174.8 | 0 | 117.3 | ||||
| 170 | L | 23.5 | Very low | 26.2 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 155.4 | -178.8 | -75 | 96.3 | 0 | 0 | 0 | 117.5 | ||||
| 171 | L | 26.3 | Very low | 26.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 73.3 | 157.5 | 141.1 | -75.3 | 160.1 | 0 | 0 | 0 | 120.7 | ||||
| 172 | P | 33.8 | Very low | 26.3 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -134.2 | -172.8 | -1.7 | 33.4 | -9.9 | 0 | 0 | 0 | 117.3 | ||||
| 173 | R | 21.6 | Very low | 25.6 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -112.3 | 149.4 | -166.1 | 171 | -170.3 | -162.5 | 172.8 | 5.3 | 112.4 | ||||
| 174 | Y | 25.2 | Very low | 25.7 | Very low | 214 Ų | 214 | 142.2 Ų | 142.2 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | 172.4 | 117.1 | 146.4 | -94.6 | -73.8 | 0 | 0 | 0 | 109.7 | ||||
| 175 | Q | 22.4 | Very low | 25.6 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | 55 | 141.7 | 80.7 | -73.4 | -165.2 | -94.7 | 0 | 0 | 115.9 | |||||
| 176 | L | 27.1 | Very low | 25.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | cis | -171.5 | 174.9 | -7.3 | -136.2 | 133.4 | 0 | 0 | 0 | 109.8 | ||||
| 177 | D | 25.8 | Very low | 25.5 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 86.7 | 150.4 | 159.8 | -61.4 | -32.6 | 0 | 0 | 0 | 121.2 | ||||
| 178 | A | 24.7 | Very low | 25.4 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | cis | -179 | 144 | -30.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 179 | G | 24.6 | Very low | 25.2 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 85.2 | 153.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 180 | Q | 24.5 | Very low | 25.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | cis | -175.6 | 126.2 | 5.7 | -169.1 | 89.8 | 12.6 | 0 | 0 | 108.1 | ||||
| 181 | H | 24.1 | Very low | 26.6 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | 64 | 142.1 | 132.8 | -75.1 | -102.3 | 0 | 0 | 0 | 128.6 | ||||
| 182 | I | 24.2 | Very low | 26.8 | Very low | 166 Ų | 166 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 77.2 | 130.9 | 145.9 | -56.8 | 144.7 | 0 | 0 | 0 | 117.2 | ||||
| 183 | G | 24.5 | Very low | 26.5 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | cis | 166.7 | 151.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 184 | A | 25.7 | Very low | 26.5 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 49.9 | 146.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 185 | I | 26.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | -172.9 | 144.3 | 56.8 | -74.8 | 179.3 | 0 | 0 | 0 | 110.1 | |||||
| 186 | T | 23.9 | Very low | 27.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -9.5 | 149.8 | 159.5 | 63.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 187 | S | 25.3 | Very low | 26.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | 176 | 126.7 | 105.2 | 62.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 188 | H | 23.9 | Very low | 27.1 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 21.3 | 128.7 | 144.9 | -76.4 | -83.2 | 0 | 0 | 0 | 124.9 | ||||
| 189 | S | 27.3 | Very low | 27.2 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | 152.3 | 159.5 | 111.2 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 190 | Q | 25 | Very low | 27.6 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -116.6 | -167.5 | -141.9 | -148.8 | -167.9 | -29.9 | 0 | 0 | 113.4 | ||||
| 191 | P | 51.7 | Low | 27.8 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | -106.6 | -178 | -114.6 | 44 | -26.6 | 0 | 0 | 0 | 115 | |||||
| 192 | P | 30 | Very low | 28.4 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -157.6 | 158.8 | 93.3 | 37.4 | -15.7 | 0 | 0 | 0 | 119.1 | |||||
| 193 | L | 28 | Very low | 29.2 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 69 | 123.7 | 141.9 | -66 | 160.6 | 0 | 0 | 0 | 124.3 | ||||
| 194 | R | 22.5 | Very low | 30 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -54.6 | 157.7 | 171.1 | -74.6 | -176.8 | -175.5 | -173 | 2 | 115.1 | ||||
| 195 | P | 31.5 | Very low | 30.8 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -140 | 152 | 93.5 | 34.1 | -17.2 | 0 | 0 | 0 | 116.4 | |||||
| 196 | E | 27.9 | Very low | 31.5 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 62.5 | 132 | 149 | -99.9 | 52 | -150.8 | 0 | 0 | 124.8 | ||||
| 197 | C | 24.1 | Very low | 32.3 | Very low | 102 Ų | 102 | 150.2 Ų | 150.2 | 69% | 0.689 | 81% | 0.806 | S | S | * | * | trans | -94.2 | 129.7 | -173.1 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | E | 29.7 | Very low | 33.1 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -118.4 | 94.7 | 153.4 | -96.4 | 155.4 | 151.3 | 0 | 0 | 108.4 | E200 | E198-E200 PolarHBondContact O-N 3.42Š| ||
| 199 | C | 25.9 | Very low | 34 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -71.8 | 102.2 | 168.7 | -61.6 | 0 | 0 | 0 | 0 | 108.1 | M201 | C199-M201 VanDerWaalsContact C-N 3.29Å; C199-M201 PolarHBondContact O-N 2.91Å | ||
| 200 | E | 33.3 | Very low | 34.8 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 92.4 | 168.1 | -149.3 | 172.5 | 143.7 | 0 | 0 | 108.7 | E198 | E198-E200 PolarHBondContact O-N 3.42Š| ||
| 201 | M | 29.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -75.2 | 133.3 | 178.2 | -179.1 | 141.6 | 63 | 0 | 0 | 110.1 | C199 | C199-M201 VanDerWaalsContact C-N 3.29Å; C199-M201 PolarHBondContact O-N 2.91Å | ||
| 202 | N | 37.5 | Very low | 35.8 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 67% | 0.674 | 81% | 0.805 | S | S | * | * | trans | 109.9 | 64.6 | 159.7 | -54.9 | -37.3 | 0 | 0 | 0 | 117.1 | V204 | N202-V204 HydrophobicContact CB-CG2 4.23Å; N202-V204 PolarHBondContact O-N 3.28Å | ||
| 203 | Q | 39.8 | Very low | 37 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -62.3 | 94.3 | 133.6 | -94.4 | -178.2 | -13.1 | 0 | 0 | 107.5 | L205 | Q203-L205 PolarHBondContact O-N 3.4Š| ||
| 204 | V | 40.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -62.2 | 102.7 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | N202 S206 | N202-V204 HydrophobicContact CB-CG2 4.23Å; N202-V204 PolarHBondContact O-N 3.28Å; V204-S206 PolarHBondContact O-N 2.96Å | ||
| 205 | L | 42.5 | Very low | 39.2 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -52 | 115.2 | 172 | -166.3 | 77.4 | 0 | 0 | 0 | 107.7 | Q203 I207 | Q203-L205 PolarHBondContact O-N 3.4Å; L205-I207 PolarHBondContact O-N 2.81Å | ||
| 206 | S | 41.9 | Very low | 40 | Very low | 106 Ų | 106 | 156.3 Ų | 156.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -62.7 | 108.3 | -177.8 | 42.1 | 0 | 0 | 0 | 0 | 109.5 | V204 P208 | V204-S206 PolarHBondContact O-N 2.96Å; S206-P208 WeakPolarHBondContact O-CD 3.39Å | ||
| 207 | I | 41.2 | Very low | 41.1 | Very low | 157 Ų | 157 | 158.7 Ų | 158.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 120.2 | 169.5 | -58.2 | 166.5 | 0 | 0 | 0 | 106.2 | L205 M209 | L205-I207 PolarHBondContact O-N 2.81Å; I207-M209 PolarHBondContact O-N 3.44Å | ||
| 208 | P | 41.5 | Very low | 42.3 | Very low | 112 Ų | 112 | 165 Ų | 165 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -60.7 | 129.6 | -175.2 | 21.7 | -31.4 | 0 | 0 | 0 | 110.2 | S206 R210 | S206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-R210 PolarHBondContact O-N 2.74Å | ||
| 209 | M | 42.4 | Very low | 43.2 | Very low | 170 Ų | 170 | 166.1 Ų | 166.1 | 84% | 0.837 | 81% | 0.808 | S | S | * | * | trans | -59 | 103.5 | 174.5 | -87.6 | -169.6 | -89.2 | 0 | 0 | 109.4 | L107 I207 M211 | L107-M209 HydrophobicContact CD1-CE 4.28Å; I207-M209 PolarHBondContact O-N 3.44Å; M209-M211 PolarHBondContact O-N 3.49Å; M209-M211 VanDerWaalsContact O-N 3.09Å | ||
| 210 | R | 43.9 | Very low | 44 | Very low | 228 Ų | 228 | 168.9 Ų | 168.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 109.4 | 166.1 | -167.3 | 176.9 | -162.9 | 171.9 | 6.1 | 106.9 | P208 V212 | P208-R210 PolarHBondContact O-N 2.74Å; R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 3.15Å | ||
| 211 | M | 43.2 | Very low | 44.7 | Very low | 174 Ų | 174 | 170.9 Ų | 170.9 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -54.6 | 102.6 | 164.3 | -79.8 | -170 | -173.1 | 0 | 0 | 107.4 | M209 T213 | M209-M211 PolarHBondContact O-N 3.49Å; M209-M211 VanDerWaalsContact O-N 3.09Å; M211-T213 PolarHBondContact O-N 3.48Å | ||
| 212 | V | 55.6 | Low | 45.7 | Very low | 119 Ų | 119 | 170.4 Ų | 170.4 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -71.2 | 89.2 | 166.2 | -178.4 | 0 | 0 | 0 | 0 | 105.1 | R210 K214 | R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 3.15Å; V212-K214 PolarHBondContact O-N 3.3Å; V212-K214 VanDerWaalsContact O-N 3.07Å | ||
| 213 | T | 54.4 | Low | 46.5 | Very low | 119 Ų | 119 | 171.2 Ų | 171.2 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 119.9 | 163.2 | 45.5 | 0 | 0 | 0 | 0 | 106.1 | M211 | M211-T213 PolarHBondContact O-N 3.48Š|
| 214 | K | 46.9 | Very low | 47.4 | Very low | 189 Ų | 189 | 167.3 Ų | 167.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 123.7 | -179.4 | -73.6 | 176.7 | -179.5 | 170.2 | 0 | 107 | V212 R216 | V212-K214 PolarHBondContact O-N 3.3Å; V212-K214 VanDerWaalsContact O-N 3.07Å; K214-R216 PolarHBondContact O-N 2.92Å |
| 215 | P | 50.1 | Low | 48.8 | Very low | 103 Ų | 103 | 164.3 Ų | 164.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 121.6 | 176.1 | 20.2 | -29.7 | 0 | 0 | 0 | 106.5 | R217 | P215-R217 PolarHBondContact O-N 3.05Š|
| 216 | R | 48 | Very low | 50.4 | Low | 250 Ų | 250 | 159.4 Ų | 159.4 | 94% | 0.943 | 75% | 0.751 | S | S | * | * | trans | -62.9 | 84.7 | 176.8 | -171.7 | 178.3 | 167.5 | 167.1 | -2.8 | 106.1 | K214 R218 | K214-R216 PolarHBondContact O-N 2.92Å; R216-R218 PolarHBondContact O-N 3.39Å | ||
| 217 | R | 52 | Low | 52.2 | Low | 223 Ų | 223 | 154.8 Ų | 154.8 | 84% | 0.842 | 72% | 0.718 | S | S | * | * | trans | -57.2 | 109.1 | -179.2 | -79.9 | -173.1 | 178.4 | 178.2 | 0.3 | 106.4 | P215 R219 | P215-R217 PolarHBondContact O-N 3.05Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.44Å | ||
| 218 | R | 49.2 | Very low | 53.9 | Low | 235 Ų | 235 | 149.7 Ų | 149.7 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | trans | -49.4 | 106.3 | 160.9 | -87 | -177.7 | 172.8 | -178.8 | -1.6 | 105.2 | R216 H220 | R216-R218 PolarHBondContact O-N 3.39Å; R218-H220 PolarHBondContact O-N 2.97Å | ||
| 219 | R | 48.9 | Very low | 55.8 | Low | 223 Ų | 223 | 145.5 Ų | 145.5 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | trans | -64.4 | 96 | 168.1 | -77.9 | -174.8 | -177.8 | -162.6 | 3.2 | 104.7 | R217 R221 | R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.44Å; R219-R221 PolarHBondContact O-N 3.28Å | ||
| 220 | H | 42.4 | Very low | 57.8 | Low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | trans | -50.8 | 118.6 | 152.9 | -94.8 | -90.5 | 0 | 0 | 0 | 105 | R218 L222 | R218-H220 PolarHBondContact O-N 2.97Å; H220-L222 PolarHBondContact O-N 2.94Å | ||
| 221 | R | 47.3 | Very low | 59.5 | Low | 245 Ų | 245 | 128.5 Ų | 128.5 | 93% | 0.925 | 60% | 0.599 | S | S | * | * | trans | -67.5 | 53.7 | 168.7 | -74.1 | -167 | -93.7 | -140 | -2.5 | 108.8 | R219 H223 | R219-R221 PolarHBondContact O-N 3.28Å; R221-H223 VanDerWaalsContact C-N 3.26Å; R221-H223 PolarHBondContact O-N 2.81Å | ||
| 222 | L | 51.1 | Low | 61.3 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | trans | -62.8 | 106.1 | 156.8 | -162.3 | 75.9 | 0 | 0 | 0 | 103.1 | H220 N224 | H220-L222 PolarHBondContact O-N 2.94Å; L222-N224 PolarHBondContact O-N 2.86Å | ||
| 223 | H | 52.9 | Low | 62.6 | Low | 144 Ų | 144 | 130 Ų | 130 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | trans | -38.1 | 102.6 | -179.3 | -176 | -75.7 | 0 | 0 | 0 | 107.9 | R221 V225 | R221-H223 VanDerWaalsContact C-N 3.26Å; R221-H223 PolarHBondContact O-N 2.81Å; H223-V225 WeakPolarHBondContact ND1-CG2 2.97Å; H223-V225 PolarHBondContact O-N 2.86Å | ||
| 224 | N | 59.3 | Low | 64 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | trans | -72.3 | 82.7 | 177.1 | -88.1 | -27.7 | 0 | 0 | 0 | 104.3 | L222 T226 | L222-N224 PolarHBondContact O-N 2.86Å; N224-T226 PolarHBondContact O-N 2.84Å | ||
| 225 | V | 71 | Confident | 65.6 | Low | 63 Ų | 63 | 120.8 Ų | 120.8 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | trans | -58 | 108.5 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 105.1 | L83 H223 I230 | L83-V225 HydrophobicContact CD1-CG1 4.5Å; H223-V225 WeakPolarHBondContact ND1-CG2 2.97Å; H223-V225 PolarHBondContact O-N 2.86Å; V225-I230 HydrophobicContact CG1-CD1 3.48Å; V225-I230 VanDerWaalsContact CG1-CD1 3.48Å; V225-I230 HydrophobicContact CG1-CG1 3.48Å; V225-I230 VanDerWaalsContact CG1-CG1 3.48Å | ||
| 226 | T | 76.2 | Confident | 67.1 | Low | 56 Ų | 56 | 121.6 Ų | 121.6 | 34% | 0.344 | 53% | 0.534 | S | S | . | . | trans | -79.6 | 143.2 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 107.3 | N224 S228 S229 I230 | N224-T226 PolarHBondContact O-N 2.84Å; T226-S228 WeakPolarHBondContact CB-OG 3.03Å; T226-S228 PolarHBondContact O-N 3.06Å; T226-S228 VanDerWaalsContact O-N 3.12Å; T226-S228 PolarHBondContact OG1-OG 3.48Å; T226-S229 PolarHBondContact N-OG 2.77Å; T226-S229 PolarHBondContact O-N 3.49Å; T226-S229 PolarHBondContact O-OG 3.3Å; T226-S229 PolarHBondContact OG1-N 3.27Å; T226-S229 PolarHBondContact OG1-OG 3.02Å; T226-I230 PolarHBondContact O-N 2.83Å | ||
| 227 | P | 78.2 | Confident | 68.8 | Low | 9 Ų | 9 | 113.7 Ų | 113.7 | 6% | 0.058 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -54.2 | -34 | 172.9 | 22.9 | -33.4 | 0 | 0 | 0 | 110.6 | V80 L83 N84 M87 S229 I230 D231 | V80-P227 HydrophobicContact CG1-CB 4.26Å; L83-P227 HydrophobicContact CB-CB 4.38Å; N84-P227 WeakPolarHBondContact OD1-CB 3.19Å; N84-P227 WeakPolarHBondContact OD1-CG 3.29Å; M87-P227 WeakPolarHBondContact SD-CD 3.35Å; M87-P227 HydrophobicContact SD-CG 3.6Å; M87-P227 VanDerWaalsContact SD-CG 3.6Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-S229 PolarHBondContact O-N 3.44Å; P227-I230 PolarHBondContact O-N 3.22Å; P227-D231 PolarHBondContact O-N 3.06Å; P227-D231 VanDerWaalsContact O-N 3.12Å |
| 228 | S | 78.4 | Confident | 70.3 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -27.9 | 174.4 | 59.5 | 0 | 0 | 0 | 0 | 115.5 | T226 K232 | T226-S228 WeakPolarHBondContact CB-OG 3.03Å; T226-S228 PolarHBondContact O-N 3.06Å; T226-S228 VanDerWaalsContact O-N 3.12Å; T226-S228 PolarHBondContact OG1-OG 3.48Å; S228-K232 WeakPolarHBondContact O-CD 3.32Å; S228-K232 WeakPolarHBondContact O-CG 3.2Å; S228-K232 PolarHBondContact O-N 3.32Å |
| 229 | S | 81.5 | Confident | 71.9 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 18% | 0.175 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -75.7 | -40.7 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | T226 P227 K232 Y233 | T226-S229 PolarHBondContact N-OG 2.77Å; T226-S229 PolarHBondContact O-N 3.49Å; T226-S229 PolarHBondContact O-OG 3.3Å; T226-S229 PolarHBondContact OG1-N 3.27Å; T226-S229 PolarHBondContact OG1-OG 3.02Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-S229 PolarHBondContact O-N 3.44Å; S229-K232 WeakPolarHBondContact O-CB 3.07Å; S229-K232 PolarHBondContact O-N 3.02Å; S229-Y233 WeakPolarHBondContact O-CD2 3.49Å; S229-Y233 PolarHBondContact O-N 2.81Å |
| 230 | I | 83.2 | Confident | 73.5 | Confident | 37 Ų | 37 | 87.5 Ų | 87.5 | 19% | 0.19 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -55.7 | 177.9 | -63 | 162.9 | 0 | 0 | 0 | 109.9 | E76 V80 L83 V225 T226 P227 K232 Y233 S234 | E76-I230 HydrophobicContact CG-CG2 4.18Å; V80-I230 HydrophobicContact CG2-CB 4.1Å; V80-I230 HydrophobicContact CG2-CG2 3.8Å; L83-I230 HydrophobicContact CD1-CD1 3.14Å; V225-I230 HydrophobicContact CG1-CD1 3.48Å; V225-I230 VanDerWaalsContact CG1-CD1 3.48Å; V225-I230 HydrophobicContact CG1-CG1 3.48Å; V225-I230 VanDerWaalsContact CG1-CG1 3.48Å; T226-I230 PolarHBondContact O-N 2.83Å; P227-I230 PolarHBondContact O-N 3.22Å; I230-K232 PolarHBondContact O-N 3.47Å; I230-K232 VanDerWaalsContact O-N 3.09Å; I230-Y233 PolarHBondContact O-N 2.9Å; I230-S234 PolarHBondContact O-N 3.15Å; I230-S234 PolarHBondContact O-OG 3.34Å |
| 231 | D | 78.8 | Confident | 75.5 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.7 | -33.5 | -179.5 | -71.2 | -81.7 | 0 | 0 | 0 | 112.2 | R22 R28 V80 P227 R235 | R22-D231 IonicContact CZ-OD2 3.08Å; R22-D231 IonicContact NE-OD2 2.71Å; R22-D231 PolarHBondContact NE-OD2 3.43Å; R22-D231 IonicContact NH2-OD2 2.64Å; R22-D231 PolarHBondContact NH2-OD2 3.43Å; R28-D231 IonicContact NH1-OD1 3.94Å; V80-D231 WeakPolarHBondContact CG1-OD2 3.31Å; P227-D231 PolarHBondContact O-N 3.06Å; P227-D231 VanDerWaalsContact O-N 3.12Å; D231-R235 WeakPolarHBondContact O-CB 3.19Å; D231-R235 WeakPolarHBondContact O-CD 3.47Å; D231-R235 WeakPolarHBondContact O-CG 3.47Å; D231-R235 PolarHBondContact O-N 3.34Å; D231-R235 VanDerWaalsContact O-N 3.1Å |
| 232 | K | 81.6 | Confident | 77.1 | Confident | 152 Ų | 152 | 71.3 Ų | 71.3 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66 | -44.9 | 175.6 | -77.2 | 175 | -176.6 | -168.9 | 0 | 112.1 | S228 S229 I230 | S228-K232 WeakPolarHBondContact O-CD 3.32Å; S228-K232 WeakPolarHBondContact O-CG 3.2Å; S228-K232 PolarHBondContact O-N 3.32Å; S229-K232 WeakPolarHBondContact O-CB 3.07Å; S229-K232 PolarHBondContact O-N 3.02Å; I230-K232 PolarHBondContact O-N 3.47Å; I230-K232 VanDerWaalsContact O-N 3.09Å |
| 233 | Y | 82.5 | Confident | 78.7 | Confident | 172 Ų | 172 | 70.9 Ų | 70.9 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 175.7 | -75.2 | -69.3 | 0 | 0 | 0 | 111.1 | S229 I230 R235 L236 L237 | S229-Y233 WeakPolarHBondContact O-CD2 3.49Å; S229-Y233 PolarHBondContact O-N 2.81Å; I230-Y233 PolarHBondContact O-N 2.9Å; Y233-R235 VanDerWaalsContact C-N 3.26Å; Y233-R235 PolarHBondContact O-N 3.47Å; Y233-L236 PolarHBondContact O-N 3.35Å; Y233-L236 VanDerWaalsContact O-N 3.08Å; Y233-L237 WeakPolarHBondContact O-CB 3.39Å; Y233-L237 PolarHBondContact O-N 3.47Å |
| 234 | S | 84.2 | Confident | 80.2 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.8 | -40.4 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 112.4 | E76 I230 L236 F238 | E76-S234 WeakPolarHBondContact CG-OG 3.25Å; E76-S234 WeakPolarHBondContact OE1-CB 3.18Å; E76-S234 PolarHBondContact OE1-OG 3.23Å; I230-S234 PolarHBondContact O-N 3.15Å; I230-S234 PolarHBondContact O-OG 3.34Å; S234-L236 PolarHBondContact O-N 2.59Å; S234-F238 VanDerWaalsContact O-CD2 3.32Å; S234-F238 WeakPolarHBondContact O-CD2 3.11Å; S234-F238 PolarHBondContact O-N 3.05Å |
| 235 | R | 81.1 | Confident | 81.3 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -25 | 178.7 | -76.5 | 166.9 | -174.2 | -156.6 | -3.9 | 114.6 | F18 D231 Y233 P239 | F18-R235 HydrophobicContact CB-CG 4.28Å; F18-R235 PolarHBondContact O-NH2 3.07Å; F18-R235 VanDerWaalsContact O-NH2 3.13Å; D231-R235 WeakPolarHBondContact O-CB 3.19Å; D231-R235 WeakPolarHBondContact O-CD 3.47Å; D231-R235 WeakPolarHBondContact O-CG 3.47Å; D231-R235 PolarHBondContact O-N 3.34Å; D231-R235 VanDerWaalsContact O-N 3.1Å; Y233-R235 VanDerWaalsContact C-N 3.26Å; Y233-R235 PolarHBondContact O-N 3.47Å; R235-P239 WeakPolarHBondContact O-CD 3.45Å; R235-P239 WeakPolarHBondContact O-CG 3.49Å |
| 236 | L | 80.6 | Confident | 81.7 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 63% | 0.628 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -103.8 | -45.1 | 177.6 | -176.6 | 64.4 | 0 | 0 | 0 | 111.6 | Y233 S234 P239 L240 | Y233-L236 PolarHBondContact O-N 3.35Å; Y233-L236 VanDerWaalsContact O-N 3.08Å; S234-L236 PolarHBondContact O-N 2.59Å; L236-P239 WeakPolarHBondContact O-CD 3.39Å; L236-L240 WeakPolarHBondContact O-CB 3.24Å; L236-L240 PolarHBondContact O-N 2.87Å |
| 237 | L | 84.7 | Confident | 81.9 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | -172.7 | -176.9 | 137.6 | 0 | 0 | 0 | 111.9 | Y233 L241 | Y233-L237 WeakPolarHBondContact O-CB 3.39Å; Y233-L237 PolarHBondContact O-N 3.47Å; L237-L241 HydrophobicContact CD2-CD1 3.52Å; L237-L241 HydrophobicContact CD2-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.37Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 2.87Å |
| 238 | F | 83 | Confident | 82.1 | Confident | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -49.7 | -179.2 | -72.5 | -66.8 | 0 | 0 | 0 | 112.8 | F18 M69 A72 E76 S234 L240 L241 F242 | F18-F238 HydrophobicContact CE1-CD2 4.28Å; F18-F238 HydrophobicContact CE1-CE2 4.41Å; F18-F238 HydrophobicContact CE2-CB 4.05Å; F18-F238 AromaticContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CG 4.15Å; F18-F238 HydrophobicContact CZ-CB 4.44Å; F18-F238 AromaticContact CZ-CD2 3.41Å; F18-F238 HydrophobicContact CZ-CD2 3.41Å; F18-F238 VanDerWaalsContact CZ-CD2 3.41Å; F18-F238 AromaticContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CG 4.03Å; M69-F238 HydrophobicContact SD-CD1 4.4Å; A72-F238 HydrophobicContact CB-CD1 4.35Å; A72-F238 HydrophobicContact CB-CE1 3.34Å; A72-F238 HydrophobicContact CB-CZ 3.83Å; E76-F238 HydrophobicContact CB-CE2 4.18Å; E76-F238 HydrophobicContact CG-CE2 4.1Å; S234-F238 VanDerWaalsContact O-CD2 3.32Å; S234-F238 WeakPolarHBondContact O-CD2 3.11Å; S234-F238 PolarHBondContact O-N 3.05Å; F238-L240 PolarHBondContact O-N 3.34Å; F238-L241 PolarHBondContact O-N 2.84Å; F238-F242 PolarHBondContact O-N 2.76Å; F238-F242 VanDerWaalsContact O-N 3.08Å |
| 239 | P | 83.3 | Confident | 82 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -43 | 175.3 | -25.8 | 36.2 | 0 | 0 | 0 | 113.6 | W15 R235 L236 F242 F243 | W15-P239 HydrophobicContact CD2-CG 3.96Å; W15-P239 HydrophobicContact CE3-CB 4Å; W15-P239 HydrophobicContact CE3-CG 3.71Å; W15-P239 HydrophobicContact CH2-CB 3.76Å; W15-P239 HydrophobicContact CH2-CG 4.24Å; W15-P239 HydrophobicContact CZ2-CB 4.28Å; W15-P239 HydrophobicContact CZ2-CG 4.44Å; W15-P239 HydrophobicContact CZ3-CB 3.57Å; W15-P239 HydrophobicContact CZ3-CG 3.85Å; R235-P239 WeakPolarHBondContact O-CD 3.45Å; R235-P239 WeakPolarHBondContact O-CG 3.49Å; L236-P239 WeakPolarHBondContact O-CD 3.39Å; P239-F242 WeakPolarHBondContact O-CB 3.25Å; P239-F242 PolarHBondContact O-N 2.73Å; P239-F243 HydrophobicContact CB-CE2 4.42Å; P239-F243 WeakPolarHBondContact O-CD2 3.46Å; P239-F243 PolarHBondContact O-N 3.25Å |
| 240 | L | 82.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.5 | -179.7 | 138.6 | 0 | 0 | 0 | 111.4 | L236 F238 F242 F243 I244 | L236-L240 WeakPolarHBondContact O-CB 3.24Å; L236-L240 PolarHBondContact O-N 2.87Å; F238-L240 PolarHBondContact O-N 3.34Å; L240-F242 PolarHBondContact O-N 3.19Å; L240-F243 PolarHBondContact O-N 3.44Å; L240-I244 HydrophobicContact CD2-CD1 3.36Å; L240-I244 HydrophobicContact CD2-CG1 4.41Å; L240-I244 HydrophobicContact CG-CD1 3.79Å; L240-I244 HydrophobicContact CG-CG1 4.43Å; L240-I244 WeakPolarHBondContact O-CB 3.18Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 2.88Å |
| 241 | L | 83.1 | Confident | 81.5 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -36 | 176 | -73.3 | 174.5 | 0 | 0 | 0 | 111.9 | M69 L237 F238 F245 | M69-L241 HydrophobicContact CE-CB 3.45Å; M69-L241 VanDerWaalsContact CE-CB 3.45Å; M69-L241 HydrophobicContact CE-CD1 4.45Å; M69-L241 HydrophobicContact SD-CB 4.27Å; L237-L241 HydrophobicContact CD2-CD1 3.52Å; L237-L241 HydrophobicContact CD2-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.37Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 2.87Å; F238-L241 PolarHBondContact O-N 2.84Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.35Å |
| 242 | F | 82.7 | Confident | 81.2 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 176.8 | 178.7 | -98.3 | 0 | 0 | 0 | 113 | M8 V11 W15 F238 P239 L240 I244 F245 N246 | M8-F242 HydrophobicContact CB-CZ 4.42Å; M8-F242 HydrophobicContact CG-CZ 4.39Å; M8-F242 HydrophobicContact SD-CE1 3.75Å; M8-F242 HydrophobicContact SD-CE2 4.07Å; M8-F242 HydrophobicContact SD-CZ 3.18Å; M8-F242 WeakPolarHBondContact SD-CZ 3.49Å; V11-F242 HydrophobicContact CB-CD2 4.37Å; V11-F242 HydrophobicContact CB-CE2 3.78Å; V11-F242 HydrophobicContact CB-CZ 4.12Å; V11-F242 HydrophobicContact CG1-CD2 3.61Å; V11-F242 HydrophobicContact CG1-CE2 3.53Å; V11-F242 HydrophobicContact CG1-CG 4.24Å; V11-F242 HydrophobicContact CG1-CZ 4.09Å; V11-F242 HydrophobicContact CG2-CE2 3.92Å; W15-F242 HydrophobicContact CH2-CB 3.73Å; W15-F242 AromaticContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CE1 4.24Å; W15-F242 AromaticContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CZ2-CB 3.45Å; W15-F242 VanDerWaalsContact CZ2-CB 3.45Å; W15-F242 AromaticContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD2 4.35Å; W15-F242 AromaticContact CZ2-CG 3.68Å; W15-F242 HydrophobicContact CZ2-CG 3.68Å; F238-F242 PolarHBondContact O-N 2.76Å; F238-F242 VanDerWaalsContact O-N 3.08Å; P239-F242 WeakPolarHBondContact O-CB 3.25Å; P239-F242 PolarHBondContact O-N 2.73Å; L240-F242 PolarHBondContact O-N 3.19Å; F242-I244 VanDerWaalsContact C-N 3.35Å; F242-F245 PolarHBondContact O-N 3.26Å; F242-N246 VanDerWaalsContact CD1-ND2 3.32Å; F242-N246 WeakPolarHBondContact CD1-ND2 3.42Å; F242-N246 WeakPolarHBondContact CD2-ND2 3.15Å; F242-N246 VanDerWaalsContact CE1-ND2 3.25Å; F242-N246 WeakPolarHBondContact CE1-ND2 3.39Å; F242-N246 WeakPolarHBondContact CE2-ND2 3.36Å; F242-N246 WeakPolarHBondContact CG-ND2 3.34Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.43Å; F242-N246 VanDerWaalsContact O-CB 3.26Å; F242-N246 WeakPolarHBondContact O-CB 3.42Å; F242-N246 PolarHBondContact O-N 2.59Å; F242-N246 PolarHBondContact O-ND2 3.08Å |
| 243 | F | 82.9 | Confident | 80.7 | Confident | 134 Ų | 134 | 69 Ų | 69 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.9 | -36.1 | 177.1 | -73.8 | -66.4 | 0 | 0 | 0 | 112 | W15 P239 L240 G247 | W15-F243 HydrophobicContact CH2-CE2 4.35Å; W15-F243 HydrophobicContact CZ3-CE2 4.3Å; P239-F243 HydrophobicContact CB-CE2 4.42Å; P239-F243 WeakPolarHBondContact O-CD2 3.46Å; P239-F243 PolarHBondContact O-N 3.25Å; L240-F243 PolarHBondContact O-N 3.44Å; F243-G247 WeakPolarHBondContact O-CA 3.47Å; F243-G247 PolarHBondContact O-N 3.5Å |
| 244 | I | 85.4 | Confident | 80.1 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 45% | 0.446 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 172.4 | -70.8 | 174.5 | 0 | 0 | 0 | 110 | L240 F242 G247 I248 | L240-I244 HydrophobicContact CD2-CD1 3.36Å; L240-I244 HydrophobicContact CD2-CG1 4.41Å; L240-I244 HydrophobicContact CG-CD1 3.79Å; L240-I244 HydrophobicContact CG-CG1 4.43Å; L240-I244 WeakPolarHBondContact O-CB 3.18Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 2.88Å; F242-I244 VanDerWaalsContact C-N 3.35Å; I244-G247 PolarHBondContact O-N 2.95Å; I244-I248 HydrophobicContact CG2-CD1 3.74Å; I244-I248 HydrophobicContact CG2-CG1 4.45Å; I244-I248 WeakPolarHBondContact O-CB 3.45Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.43Å; I244-I248 PolarHBondContact O-N 3.37Å |
| 245 | F | 82.5 | Confident | 79.3 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 179.1 | 173.9 | -100.7 | 0 | 0 | 0 | 111.8 | Y62 T65 L241 F242 G247 I248 Y249 | Y62-F245 AromaticContact CD2-CE1 3.99Å; Y62-F245 HydrophobicContact CD2-CE1 3.99Å; T65-F245 VanDerWaalsContact CB-CE1 3.47Å; T65-F245 HydrophobicContact CG2-CD1 3.6Å; T65-F245 HydrophobicContact CG2-CD2 3.69Å; T65-F245 HydrophobicContact CG2-CE1 3.58Å; T65-F245 HydrophobicContact CG2-CE2 3.66Å; T65-F245 HydrophobicContact CG2-CG 3.65Å; T65-F245 HydrophobicContact CG2-CZ 3.61Å; T65-F245 WeakPolarHBondContact OG1-CE2 3.39Å; T65-F245 WeakPolarHBondContact OG1-CZ 3.38Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.35Å; F242-F245 PolarHBondContact O-N 3.26Å; F245-G247 VanDerWaalsContact C-N 3.35Å; F245-G247 PolarHBondContact O-N 2.94Å; F245-I248 PolarHBondContact O-N 2.93Å; F245-Y249 HydrophobicContact CZ-CD2 4.47Å; F245-Y249 VanDerWaalsContact O-CB 3.25Å; F245-Y249 WeakPolarHBondContact O-CB 3.46Å; F245-Y249 PolarHBondContact O-N 3.36Å |
| 246 | N | 78.9 | Confident | 78.6 | Confident | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.4 | -82.8 | -70.7 | 0 | 0 | 0 | 111.9 | M8 Y62 F242 Y249 W250 | M8-N246 WeakPolarHBondContact CE-OD1 3.5Å; Y62-N246 WeakPolarHBondContact CE2-OD1 3.14Å; F242-N246 VanDerWaalsContact CD1-ND2 3.32Å; F242-N246 WeakPolarHBondContact CD1-ND2 3.42Å; F242-N246 WeakPolarHBondContact CD2-ND2 3.15Å; F242-N246 VanDerWaalsContact CE1-ND2 3.25Å; F242-N246 WeakPolarHBondContact CE1-ND2 3.39Å; F242-N246 WeakPolarHBondContact CE2-ND2 3.36Å; F242-N246 WeakPolarHBondContact CG-ND2 3.34Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.43Å; F242-N246 VanDerWaalsContact O-CB 3.26Å; F242-N246 WeakPolarHBondContact O-CB 3.42Å; F242-N246 PolarHBondContact O-N 2.59Å; F242-N246 PolarHBondContact O-ND2 3.08Å; N246-Y249 PolarHBondContact O-N 3.22Å; N246-W250 WeakPolarHBondContact O-CB 3.49Å; N246-W250 PolarHBondContact O-N 3.36Å |
| 247 | G | 80.5 | Confident | 77.8 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -50 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F243 I244 F245 I251 | F243-G247 WeakPolarHBondContact O-CA 3.47Å; F243-G247 PolarHBondContact O-N 3.5Å; I244-G247 PolarHBondContact O-N 2.95Å; F245-G247 VanDerWaalsContact C-N 3.35Å; F245-G247 PolarHBondContact O-N 2.94Å; G247-I251 VanDerWaalsContact O-CB 3.27Å; G247-I251 WeakPolarHBondContact O-CB 3.14Å; G247-I251 VanDerWaalsContact O-CD1 3.32Å; G247-I251 WeakPolarHBondContact O-CD1 3.42Å; G247-I251 WeakPolarHBondContact O-CG1 3.41Å; G247-I251 PolarHBondContact O-N 3.4Å |
| 248 | I | 82.1 | Confident | 76.8 | Confident | 96 Ų | 96 | 72.4 Ų | 72.4 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176 | -66.7 | 167.9 | 0 | 0 | 0 | 110.7 | I244 F245 I251 T252 | I244-I248 HydrophobicContact CG2-CD1 3.74Å; I244-I248 HydrophobicContact CG2-CG1 4.45Å; I244-I248 WeakPolarHBondContact O-CB 3.45Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.43Å; I244-I248 PolarHBondContact O-N 3.37Å; F245-I248 PolarHBondContact O-N 2.93Å; I248-I251 PolarHBondContact O-N 3.43Å; I248-T252 HydrophobicContact CG2-CG2 4.15Å; I248-T252 WeakPolarHBondContact O-CB 3.19Å; I248-T252 VanDerWaalsContact O-CG2 3.28Å; I248-T252 WeakPolarHBondContact O-CG2 3.44Å; I248-T252 PolarHBondContact O-N 2.81Å; I248-T252 PolarHBondContact O-OG1 3.36Å |
| 249 | Y | 76.7 | Confident | 75.8 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 6% | 0.059 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -51.4 | -179.8 | -178.7 | -98.2 | 0 | 0 | 0 | 111.6 | Y4 A58 Y62 F245 N246 I251 T252 Q253 | Y4-Y249 AromaticContact CE1-CE1 3.8Å; Y4-Y249 HydrophobicContact CE1-CE1 3.8Å; Y4-Y249 PolarHBondContact OH-OH 2.92Å; A58-Y249 HydrophobicContact CB-CE2 4.12Å; A58-Y249 WeakPolarHBondContact O-CE2 3.21Å; A58-Y249 PolarHBondContact O-OH 2.99Å; Y62-Y249 HydrophobicContact CD2-CD1 4.02Å; Y62-Y249 HydrophobicContact CD2-CE1 4.06Å; Y62-Y249 HydrophobicContact CD2-CG 4.28Å; Y62-Y249 HydrophobicContact CG-CE1 4.26Å; F245-Y249 HydrophobicContact CZ-CD2 4.47Å; F245-Y249 VanDerWaalsContact O-CB 3.25Å; F245-Y249 WeakPolarHBondContact O-CB 3.46Å; F245-Y249 PolarHBondContact O-N 3.36Å; N246-Y249 PolarHBondContact O-N 3.22Å; Y249-I251 PolarHBondContact O-N 2.94Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.28Å; Y249-T252 PolarHBondContact O-N 3.12Å; Y249-T252 PolarHBondContact O-OG1 3.12Å; Y249-Q253 VanDerWaalsContact O-CB 3.29Å; Y249-Q253 WeakPolarHBondContact O-CB 3.33Å; Y249-Q253 PolarHBondContact O-N 2.97Å |
| 250 | W | 76.4 | Confident | 74.8 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 177.2 | -77.4 | 105.9 | 0 | 0 | 0 | 112.2 | N246 Q253 E254 | N246-W250 WeakPolarHBondContact O-CB 3.49Å; N246-W250 PolarHBondContact O-N 3.36Å; W250-Q253 PolarHBondContact O-N 3.09Å; W250-E254 VanDerWaalsContact O-CB 3.27Å; W250-E254 WeakPolarHBondContact O-CB 3.39Å; W250-E254 PolarHBondContact O-N 2.87Å |
| 251 | I | 76.9 | Confident | 73.6 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 54% | 0.544 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.2 | -70.3 | 165.3 | 0 | 0 | 0 | 111.1 | G247 I248 Y249 R255 | G247-I251 VanDerWaalsContact O-CB 3.27Å; G247-I251 WeakPolarHBondContact O-CB 3.14Å; G247-I251 VanDerWaalsContact O-CD1 3.32Å; G247-I251 WeakPolarHBondContact O-CD1 3.42Å; G247-I251 WeakPolarHBondContact O-CG1 3.41Å; G247-I251 PolarHBondContact O-N 3.4Å; I248-I251 PolarHBondContact O-N 3.43Å; Y249-I251 PolarHBondContact O-N 2.94Å; I251-R255 WeakPolarHBondContact O-CB 3Å; I251-R255 WeakPolarHBondContact O-CG 3.47Å; I251-R255 PolarHBondContact O-N 2.84Å |
| 252 | T | 73.4 | Confident | 72.4 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 39% | 0.393 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | I248 Y249 R255 N256 | I248-T252 HydrophobicContact CG2-CG2 4.15Å; I248-T252 WeakPolarHBondContact O-CB 3.19Å; I248-T252 VanDerWaalsContact O-CG2 3.28Å; I248-T252 WeakPolarHBondContact O-CG2 3.44Å; I248-T252 PolarHBondContact O-N 2.81Å; I248-T252 PolarHBondContact O-OG1 3.36Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.28Å; Y249-T252 PolarHBondContact O-N 3.12Å; Y249-T252 PolarHBondContact O-OG1 3.12Å; T252-R255 PolarHBondContact O-N 3.32Å; T252-N256 VanDerWaalsContact O-CG 3.27Å; T252-N256 PolarHBondContact O-N 3.28Å; T252-N256 PolarHBondContact O-ND2 3.04Å |
| 253 | Q | 70.6 | Confident | 71.4 | Confident | 56 Ų | 56 | 88.5 Ų | 88.5 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 178.2 | -172.4 | 62.2 | 31.9 | 0 | 0 | 111.8 | Y249 W250 R255 N256 I257 | Y249-Q253 VanDerWaalsContact O-CB 3.29Å; Y249-Q253 WeakPolarHBondContact O-CB 3.33Å; Y249-Q253 PolarHBondContact O-N 2.97Å; W250-Q253 PolarHBondContact O-N 3.09Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 3.06Å; Q253-N256 PolarHBondContact O-N 3.1Å; Q253-N256 VanDerWaalsContact O-N 3.09Å; Q253-I257 HydrophobicContact CG-CD1 4.08Å; Q253-I257 WeakPolarHBondContact O-CG1 3.41Å; Q253-I257 PolarHBondContact O-N 3.4Å |
| 254 | E | 70.6 | Confident | 70.5 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 174.6 | -169.8 | 65.7 | -157.4 | 0 | 0 | 110.5 | W250 N256 I257 I258 | W250-E254 VanDerWaalsContact O-CB 3.27Å; W250-E254 WeakPolarHBondContact O-CB 3.39Å; W250-E254 PolarHBondContact O-N 2.87Å; E254-N256 VanDerWaalsContact C-N 3.3Å; E254-N256 PolarHBondContact O-N 2.85Å; E254-I257 PolarHBondContact O-N 3.23Å; E254-I258 HydrophobicContact CG-CD1 3.9Å; E254-I258 WeakPolarHBondContact O-CG1 3.12Å; E254-I258 PolarHBondContact O-N 3.48Å |
| 255 | R | 67.5 | Low | 69.6 | Low | 165 Ų | 165 | 87.6 Ų | 87.6 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.5 | -38.1 | 174.2 | -80.2 | -152.1 | -168.2 | -113.9 | 10.2 | 112.9 | I251 T252 Q253 K259 | I251-R255 WeakPolarHBondContact O-CB 3Å; I251-R255 WeakPolarHBondContact O-CG 3.47Å; I251-R255 PolarHBondContact O-N 2.84Å; T252-R255 PolarHBondContact O-N 3.32Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 3.06Å; R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 WeakPolarHBondContact O-CG 3.38Å; R255-K259 PolarHBondContact O-N 3.33Å; R255-K259 VanDerWaalsContact O-N 3.1Å |
| 256 | N | 65.7 | Low | 69 | Low | 81 Ų | 81 | 91 Ų | 91 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 177.7 | -73.8 | -40.6 | 0 | 0 | 0 | 112.1 | T252 Q253 E254 N260 | T252-N256 VanDerWaalsContact O-CG 3.27Å; T252-N256 PolarHBondContact O-N 3.28Å; T252-N256 PolarHBondContact O-ND2 3.04Å; Q253-N256 PolarHBondContact O-N 3.1Å; Q253-N256 VanDerWaalsContact O-N 3.09Å; E254-N256 VanDerWaalsContact C-N 3.3Å; E254-N256 PolarHBondContact O-N 2.85Å; N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 PolarHBondContact O-ND2 2.95Å |
| 257 | I | 63.7 | Low | 68.5 | Low | 96 Ų | 96 | 94 Ų | 94 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -47.8 | 176.6 | -66.1 | 162.1 | 0 | 0 | 0 | 110.1 | Q253 E254 K259 N260 G261 | Q253-I257 HydrophobicContact CG-CD1 4.08Å; Q253-I257 WeakPolarHBondContact O-CG1 3.41Å; Q253-I257 PolarHBondContact O-N 3.4Å; E254-I257 PolarHBondContact O-N 3.23Å; I257-K259 VanDerWaalsContact C-N 3.3Å; I257-K259 PolarHBondContact O-N 3.2Å; I257-N260 PolarHBondContact O-N 2.8Å; I257-G261 PolarHBondContact O-N 3.41Å |
| 258 | I | 63.6 | Low | 68 | Low | 118 Ų | 118 | 98.5 Ų | 98.5 | 61% | 0.605 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | 179.4 | -62.9 | 165.9 | 0 | 0 | 0 | 111.4 | E254 N260 | E254-I258 HydrophobicContact CG-CD1 3.9Å; E254-I258 WeakPolarHBondContact O-CG1 3.12Å; E254-I258 PolarHBondContact O-N 3.48Å; I258-N260 PolarHBondContact O-N 3.26Å |
| 259 | K | 62.1 | Low | 67.5 | Low | 137 Ų | 137 | 101.4 Ų | 101.4 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.7 | -23 | -179.3 | -77.9 | 177.9 | 178.8 | -170.2 | 0 | 114.7 | R255 I257 | R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 WeakPolarHBondContact O-CG 3.38Å; R255-K259 PolarHBondContact O-N 3.33Å; R255-K259 VanDerWaalsContact O-N 3.1Å; I257-K259 VanDerWaalsContact C-N 3.3Å; I257-K259 PolarHBondContact O-N 3.2Å |
| 260 | N | 62.5 | Low | 67.2 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 69% | 0.69 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -109.6 | 2.1 | -172.7 | -68.3 | -15.8 | 0 | 0 | 0 | 113.8 | N256 I257 I258 | N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 PolarHBondContact O-ND2 2.95Å; I257-N260 PolarHBondContact O-N 2.8Å; I258-N260 PolarHBondContact O-N 3.26Å |
| 261 | G | 57.5 | Low | 67.2 | Low | 53 Ų | 53 | 113 Ų | 113 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | trans | -89.1 | 114.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | I257 | I257-G261 PolarHBondContact O-N 3.41Š| ||
| 262 | Y | 58.3 | Low | 66.9 | Low | 163 Ų | 163 | 116.4 Ų | 116.4 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | trans | -105.6 | 128.4 | 163 | -67.2 | -82.4 | 0 | 0 | 0 | 108.2 | D266 I267 | Y262-D266 HydrophobicContact CD1-CB 4.34Å; Y262-I267 HydrophobicContact CD1-CD1 3.44Å; Y262-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y262-I267 HydrophobicContact CD1-CG1 3.98Å; Y262-I267 HydrophobicContact CD2-CD1 4.16Å; Y262-I267 HydrophobicContact CE1-CD1 3.8Å; Y262-I267 HydrophobicContact CE2-CD1 4.47Å; Y262-I267 HydrophobicContact CG-CD1 3.63Å; Y262-I267 HydrophobicContact CG-CG1 4.29Å | ||
| 263 | S | 62.4 | Low | 66.8 | Low | 63 Ų | 63 | 120.8 Ų | 120.8 | 44% | 0.441 | 60% | 0.596 | S | S | . | * | trans | -74.7 | 155.4 | 169.9 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | A265 D266 I267 | S263-A265 PolarHBondContact O-N 3.41Å; S263-A265 VanDerWaalsContact O-N 3.12Å; S263-A265 VanDerWaalsContact OG-CB 3.32Å; S263-A265 WeakPolarHBondContact OG-CB 3.22Å; S263-A265 PolarHBondContact OG-N 3.28Å; S263-A265 VanDerWaalsContact OG-N 3.1Å; S263-D266 PolarHBondContact N-OD2 3.08Å; S263-D266 WeakPolarHBondContact O-CA 3.49Å; S263-D266 PolarHBondContact O-N 3.46Å; S263-I267 PolarHBondContact O-N 3.28Å; S263-I267 VanDerWaalsContact O-N 3.12Å | ||
| 264 | D | 63.2 | Low | 66.8 | Low | 114 Ų | 114 | 120.3 Ų | 120.3 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -15.4 | 166.2 | -165 | 53.4 | 0 | 0 | 0 | 111.6 | D266 | D264-D266 VanDerWaalsContact C-N 3.31Š|
| 265 | A | 67.4 | Low | 66.4 | Low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -25.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S263 | S263-A265 PolarHBondContact O-N 3.41Å; S263-A265 VanDerWaalsContact O-N 3.12Å; S263-A265 VanDerWaalsContact OG-CB 3.32Å; S263-A265 WeakPolarHBondContact OG-CB 3.22Å; S263-A265 PolarHBondContact OG-N 3.28Å; S263-A265 VanDerWaalsContact OG-N 3.1Å |
| 266 | D | 68 | Low | 66.3 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -37.8 | -176.2 | -57.8 | -42 | 0 | 0 | 0 | 112.1 | Y262 S263 D264 | Y262-D266 HydrophobicContact CD1-CB 4.34Å; S263-D266 PolarHBondContact N-OD2 3.08Å; S263-D266 WeakPolarHBondContact O-CA 3.49Å; S263-D266 PolarHBondContact O-N 3.46Å; D264-D266 VanDerWaalsContact C-N 3.31Å |
| 267 | I | 70.2 | Confident | 66.4 | Low | 73 Ų | 73 | 122.4 Ų | 122.4 | 37% | 0.374 | 62% | 0.619 | S | S | . | * | trans | -142.9 | 112 | -178.3 | -53.9 | -179.7 | 0 | 0 | 0 | 110.9 | Y262 S263 L269 | Y262-I267 HydrophobicContact CD1-CD1 3.44Å; Y262-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y262-I267 HydrophobicContact CD1-CG1 3.98Å; Y262-I267 HydrophobicContact CD2-CD1 4.16Å; Y262-I267 HydrophobicContact CE1-CD1 3.8Å; Y262-I267 HydrophobicContact CE2-CD1 4.47Å; Y262-I267 HydrophobicContact CG-CD1 3.63Å; Y262-I267 HydrophobicContact CG-CG1 4.29Å; S263-I267 PolarHBondContact O-N 3.28Å; S263-I267 VanDerWaalsContact O-N 3.12Å; I267-L269 HydrophobicContact CG2-CD2 3.65Å; I267-L269 HydrophobicContact CG2-CG 3.93Å | ||
| 268 | K | 69.3 | Low | 65.8 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 55% | 0.548 | 62% | 0.624 | S | S | . | * | trans | -89 | 115.5 | 163.5 | -72.5 | -175.9 | 179.3 | 176.5 | 0 | 109.8 | Y270 | K268-Y270 HydrophobicContact CB-CE1 4.37Å; K268-Y270 HydrophobicContact CB-CE2 3.84Å; K268-Y270 WeakPolarHBondContact CB-OH 3.41Å; K268-Y270 VanDerWaalsContact CD-OH 3.29Å; K268-Y270 WeakPolarHBondContact CD-OH 3.4Å; K268-Y270 WeakPolarHBondContact O-CE2 3.5Å | ||
| 269 | L | 71 | Confident | 65.5 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 82% | 0.817 | 62% | 0.623 | S | S | * | * | trans | -91.8 | 124.6 | 178.7 | -66 | 172.3 | 0 | 0 | 0 | 110.3 | I267 | I267-L269 HydrophobicContact CG2-CD2 3.65Å; I267-L269 HydrophobicContact CG2-CG 3.93Å | ||
| 270 | Y | 71.7 | Confident | 64.9 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -118.3 | 135.8 | 172.3 | -44.5 | -82.5 | 0 | 0 | 0 | 109.2 | K268 L272 | K268-Y270 HydrophobicContact CB-CE1 4.37Å; K268-Y270 HydrophobicContact CB-CE2 3.84Å; K268-Y270 WeakPolarHBondContact CB-OH 3.41Å; K268-Y270 VanDerWaalsContact CD-OH 3.29Å; K268-Y270 WeakPolarHBondContact CD-OH 3.4Å; K268-Y270 WeakPolarHBondContact O-CE2 3.5Å; Y270-L272 PolarHBondContact O-N 2.83Å; Y270-L272 VanDerWaalsContact O-N 3.16Å | ||
| 271 | W | 76.2 | Confident | 64.4 | Low | 190 Ų | 190 | 123.5 Ų | 123.5 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | trans | -70.9 | 105.7 | 172.9 | -67.5 | 107.9 | 0 | 0 | 0 | 109.7 | K273 G274 S277 | W271-K273 PolarHBondContact O-N 3.21Å; W271-G274 PolarHBondContact O-N 3.11Å; W271-S277 WeakPolarHBondContact CB-OG 3.29Å | ||
| 272 | L | 70.7 | Confident | 64.4 | Low | 177 Ų | 177 | 129 Ų | 129 | 93% | 0.927 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -22.2 | -173.5 | -70 | 168.9 | 0 | 0 | 0 | 114.7 | Y270 | Y270-L272 PolarHBondContact O-N 2.83Å; Y270-L272 VanDerWaalsContact O-N 3.16Å |
| 273 | K | 70 | Confident | 64.1 | Low | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 23.4 | -178.7 | -66.9 | -176.3 | 176.4 | 176.8 | 0 | 113.7 | W271 Y275 N276 S277 | W271-K273 PolarHBondContact O-N 3.21Å; K273-Y275 PolarHBondContact O-N 3.02Å; K273-N276 HydrophobicContact CB-CB 4.49Å; K273-N276 PolarHBondContact O-N 3.12Å; K273-S277 WeakPolarHBondContact CA-OG 3.45Å; K273-S277 WeakPolarHBondContact CB-OG 3.17Å; K273-S277 PolarHBondContact N-OG 3.47Å; K273-S277 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-OG 3.29Å |
| 274 | G | 71.2 | Confident | 63.9 | Low | 45 Ų | 45 | 133 Ų | 133 | 46% | 0.464 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | 50.8 | -131 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W271 N276 S277 | W271-G274 PolarHBondContact O-N 3.11Å; G274-N276 PolarHBondContact O-N 2.93Å; G274-N276 VanDerWaalsContact O-N 3.17Å; G274-S277 PolarHBondContact N-OG 3.29Å; G274-S277 VanDerWaalsContact O-CB 3.24Å; G274-S277 WeakPolarHBondContact O-CB 3.41Å; G274-S277 PolarHBondContact O-N 3.46Å; G274-S277 PolarHBondContact O-OG 3.46Å |
| 275 | Y | 61.9 | Low | 63.5 | Low | 236 Ų | 236 | 134.6 Ų | 134.6 | 93% | 0.925 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -58.7 | -22.4 | 177.4 | -69.5 | -77.3 | 0 | 0 | 0 | 114.6 | K273 | K273-Y275 PolarHBondContact O-N 3.02Š|
| 276 | N | 65.7 | Low | 63 | Low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -93.6 | 4.7 | 177.2 | -64.7 | -17.5 | 0 | 0 | 0 | 112.9 | K273 G274 V278 | K273-N276 HydrophobicContact CB-CB 4.49Å; K273-N276 PolarHBondContact O-N 3.12Å; G274-N276 PolarHBondContact O-N 2.93Å; G274-N276 VanDerWaalsContact O-N 3.17Å; N276-V278 PolarHBondContact O-N 3.42Å |
| 277 | S | 67.1 | Low | 62.8 | Low | 28 Ų | 28 | 136.1 Ų | 136.1 | 20% | 0.196 | 65% | 0.648 | C | S | . | * | trans | -73.3 | -20.3 | 178 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | W271 K273 G274 T279 | W271-S277 WeakPolarHBondContact CB-OG 3.29Å; K273-S277 WeakPolarHBondContact CA-OG 3.45Å; K273-S277 WeakPolarHBondContact CB-OG 3.17Å; K273-S277 PolarHBondContact N-OG 3.47Å; K273-S277 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-OG 3.29Å; G274-S277 PolarHBondContact N-OG 3.29Å; G274-S277 VanDerWaalsContact O-CB 3.24Å; G274-S277 WeakPolarHBondContact O-CB 3.41Å; G274-S277 PolarHBondContact O-N 3.46Å; G274-S277 PolarHBondContact O-OG 3.46Å; S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.3Å; S277-T279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | V | 52.5 | Low | 62.6 | Low | 98 Ų | 98 | 136.2 Ų | 136.2 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | trans | -87.8 | 81.4 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 107.4 | N276 | N276-V278 PolarHBondContact O-N 3.42Š| ||
| 279 | T | 56.7 | Low | 62.6 | Low | 96 Ų | 96 | 132.1 Ų | 132.1 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | trans | -88.3 | 131.1 | 164.6 | -57.5 | 0 | 0 | 0 | 0 | 107.6 | S277 D281 | S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.3Å; S277-T279 VanDerWaalsContact O-N 3.16Å; T279-D281 HydrophobicContact CG2-CB 4.48Å; T279-D281 PolarHBondContact O-N 2.8Å | ||
| 280 | F | 49.6 | Very low | 62.9 | Low | 200 Ų | 200 | 128.1 Ų | 128.1 | 88% | 0.877 | 62% | 0.615 | S | S | * | * | trans | -72.7 | 84.8 | 167.2 | -70.4 | -85.3 | 0 | 0 | 0 | 107.8 | ||||
| 281 | D | 52.2 | Low | 63.1 | Low | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | trans | -94.5 | 169.1 | -178.9 | -149.2 | -19.7 | 0 | 0 | 0 | 110.7 | T279 E283 | T279-D281 HydrophobicContact CG2-CB 4.48Å; T279-D281 PolarHBondContact O-N 2.8Å; D281-E283 PolarHBondContact O-N 3.16Å | ||
| 282 | Q | 57.1 | Low | 63.1 | Low | 169 Ų | 169 | 116.8 Ų | 116.8 | 79% | 0.79 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -51.5 | 17.1 | -170.4 | -84.2 | 169.9 | -26.9 | 0 | 0 | 118.8 | I284 R285 | Q282-I284 PolarHBondContact O-N 3.37Å; Q282-R285 PolarHBondContact O-N 3.01Å |
| 283 | E | 52.8 | Low | 63.5 | Low | 181 Ų | 181 | 113.7 Ų | 113.7 | 85% | 0.846 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -69.6 | -3.9 | 172.9 | -66.4 | -154.4 | 146.4 | 0 | 0 | 115.2 | D281 R285 | D281-E283 PolarHBondContact O-N 3.16Å; E283-R285 PolarHBondContact O-N 3.21Å |
| 284 | I | 56.8 | Low | 63.9 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 66% | 0.656 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -63.3 | -11 | 170.5 | -56.7 | 175.4 | 0 | 0 | 0 | 111.6 | Q282 K286 | Q282-I284 PolarHBondContact O-N 3.37Å; I284-K286 PolarHBondContact O-N 2.59Å; I284-K286 VanDerWaalsContact O-N 3.11Å |
| 285 | R | 54.7 | Low | 64.5 | Low | 149 Ų | 149 | 113.3 Ų | 113.3 | 56% | 0.562 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -61.9 | -21.3 | -174.2 | -143.2 | 175.1 | -163.5 | 161.2 | 5.1 | 115.3 | Q282 E283 L292 | Q282-R285 PolarHBondContact O-N 3.01Å; E283-R285 PolarHBondContact O-N 3.21Å; R285-L292 HydrophobicContact CG-CB 3.9Å; R285-L292 HydrophobicContact CG-CD2 4.19Å; R285-L292 PolarHBondContact O-N 3.31Å |
| 286 | K | 57.1 | Low | 65.5 | Low | 166 Ų | 166 | 107.6 Ų | 107.6 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | B | Isolated β-bridge | trans | -114.7 | 78.9 | 176.5 | -69.8 | -177.8 | -179.4 | 175.1 | 0 | 110.5 | I284 | I284-K286 PolarHBondContact O-N 2.59Å; I284-K286 VanDerWaalsContact O-N 3.11Å |
| 287 | L | 64.7 | Low | 66.6 | Low | 68 Ų | 68 | 106.9 Ų | 106.9 | 36% | 0.356 | 53% | 0.525 | S | S | . | . | trans | -63.8 | 144.6 | 162 | -64.7 | 162.4 | 0 | 0 | 0 | 108 | T289 F290 F318 | L287-T289 PolarHBondContact O-N 3.06Å; L287-F290 CarbonylContact C-O 3.59Å; L287-F290 WeakPolarHBondContact CA-O 3.32Å; L287-F290 HydrophobicContact CB-CB 4.21Å; L287-F290 VanDerWaalsContact CB-O 3.24Å; L287-F290 WeakPolarHBondContact CB-O 3.12Å; L287-F290 HydrophobicContact CD1-CB 4.4Å; L287-F290 PolarHBondContact N-O 2.63Å; L287-F290 VanDerWaalsContact N-O 3.08Å; L287-F290 CarbonylContact O-C 3.53Å; L287-F290 PolarHBondContact O-N 3.13Å; L287-F318 HydrophobicContact CD1-CD1 3.86Å; L287-F318 HydrophobicContact CD1-CE1 3.4Å; L287-F318 HydrophobicContact CD1-CZ 3.96Å | ||
| 288 | P | 64.9 | Low | 67.5 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -61.1 | -20.2 | -171.8 | -23.1 | 31.3 | 0 | 0 | 0 | 115.1 | K52 V53 S54 | K52-P288 WeakPolarHBondContact O-CB 3.39Å; V53-P288 CarbonylContact C-O 3.48Å; S54-P288 VanDerWaalsContact CA-O 3.27Å; S54-P288 WeakPolarHBondContact CA-O 3.45Å; S54-P288 VanDerWaalsContact CB-O 3.22Å; S54-P288 WeakPolarHBondContact CB-O 3.19Å; S54-P288 PolarHBondContact N-O 3.36Å |
| 289 | T | 70.6 | Confident | 69.3 | Low | 39 Ų | 39 | 110.2 Ų | 110.2 | 24% | 0.239 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -115 | -17.7 | 179.6 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | L287 N321 | L287-T289 PolarHBondContact O-N 3.06Å; T289-N321 PolarHBondContact O-N 3.37Å |
| 290 | F | 76.6 | Confident | 70.8 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.4 | -168.8 | -65.4 | -78 | 0 | 0 | 0 | 110.5 | L287 F318 V319 R320 | L287-F290 CarbonylContact C-O 3.59Å; L287-F290 WeakPolarHBondContact CA-O 3.32Å; L287-F290 HydrophobicContact CB-CB 4.21Å; L287-F290 VanDerWaalsContact CB-O 3.24Å; L287-F290 WeakPolarHBondContact CB-O 3.12Å; L287-F290 HydrophobicContact CD1-CB 4.4Å; L287-F290 PolarHBondContact N-O 2.63Å; L287-F290 VanDerWaalsContact N-O 3.08Å; L287-F290 CarbonylContact O-C 3.53Å; L287-F290 PolarHBondContact O-N 3.13Å; F290-F318 HydrophobicContact CB-CB 4.06Å; F290-F318 HydrophobicContact CB-CD1 4.18Å; F290-F318 HydrophobicContact CB-CG 4.42Å; F290-F318 HydrophobicContact CD1-CB 4.22Å; F290-F318 HydrophobicContact CG-CB 4.38Å; F290-V319 CarbonylContact C-O 3.5Å; F290-V319 VanDerWaalsContact CA-O 3.29Å; F290-V319 WeakPolarHBondContact CA-O 3.42Å; F290-R320 HydrophobicContact CD1-CB 4.13Å; F290-R320 HydrophobicContact CE1-CB 4Å; F290-R320 HydrophobicContact CE1-CG 4.29Å |
| 291 | E | 75.2 | Confident | 72.8 | Confident | 106 Ų | 106 | 111.2 Ų | 111.2 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.7 | 170.9 | -172.5 | 160.8 | -162.9 | 0 | 0 | 108.3 | E293 F318 V319 | E291-E293 PolarHBondContact O-N 2.93Å; E291-F318 CarbonylContact O-C 3.51Å; E291-F318 WeakPolarHBondContact O-CA 3.27Å; E291-V319 PolarHBondContact N-O 3.34Å; E291-V319 PolarHBondContact O-N 3.36Å |
| 292 | L | 76.8 | Confident | 74.6 | Confident | 25 Ų | 25 | 108 Ų | 108 | 13% | 0.131 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 109.8 | 172.3 | -179 | 74.8 | 0 | 0 | 0 | 107.9 | R285 L295 L316 F318 | R285-L292 HydrophobicContact CG-CB 3.9Å; R285-L292 HydrophobicContact CG-CD2 4.19Å; R285-L292 PolarHBondContact O-N 3.31Å; L292-L295 HydrophobicContact CD2-CB 4.33Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L292-L316 HydrophobicContact CD1-CB 3.87Å; L292-L316 HydrophobicContact CD1-CD2 3.91Å; L292-L316 HydrophobicContact CD1-CG 4.44Å; L292-F318 HydrophobicContact CB-CD1 4.26Å; L292-F318 HydrophobicContact CB-CE1 4.1Å; L292-F318 HydrophobicContact CD1-CD1 4.06Å; L292-F318 HydrophobicContact CD1-CE1 3.65Å; L292-F318 HydrophobicContact CD1-CZ 3.96Å; L292-F318 HydrophobicContact CG-CE1 4.49Å |
| 293 | E | 79.1 | Confident | 76.3 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -59.5 | 178.7 | -177.1 | 174.6 | -138.5 | 0 | 0 | 109.3 | E291 T317 V319 | E291-E293 PolarHBondContact O-N 2.93Å; E293-T317 PolarHBondContact N-O 3.36Å; E293-V319 HydrophobicContact CB-CB 4.47Å; E293-V319 HydrophobicContact CB-CG2 3.63Å; E293-V319 HydrophobicContact CG-CG2 3.93Å; E293-V319 WeakPolarHBondContact OE2-CG2 3.47Å |
| 294 | D | 79.2 | Confident | 78.1 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.6 | 179.4 | -64.2 | -51.6 | 0 | 0 | 0 | 113.3 | T317 | D294-T317 WeakPolarHBondContact CA-OG1 3.41Å; D294-T317 VanDerWaalsContact CB-OG1 3.3Å; D294-T317 WeakPolarHBondContact CB-OG1 3.44Å; D294-T317 PolarHBondContact N-OG1 3.17Å; D294-T317 PolarHBondContact O-N 3.44Å; D294-T317 PolarHBondContact O-OG1 2.85Å |
| 295 | L | 82.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.3 | 172 | -179.5 | 156.4 | 0 | 0 | 0 | 107.9 | L292 I297 L314 H315 L316 | L292-L295 HydrophobicContact CD2-CB 4.33Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L295-I297 HydrophobicContact CD2-CG1 4.45Å; L295-L314 HydrophobicContact CD1-CD1 4.27Å; L295-L314 HydrophobicContact CD2-CD1 3.93Å; L295-L314 HydrophobicContact CG-CD1 3.88Å; L295-H315 WeakPolarHBondContact CA-O 3.35Å; L295-L316 HydrophobicContact CB-CD2 4.03Å; L295-L316 HydrophobicContact CD1-CD2 3.52Å; L295-L316 HydrophobicContact CG-CD2 3.63Å |
| 296 | Y | 83.8 | Confident | 81.7 | Confident | 116 Ų | 116 | 98 Ų | 98 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.9 | 172.3 | 64 | -88 | 0 | 0 | 0 | 111.5 | V298 H315 | Y296-V298 HydrophobicContact CD2-CG2 3.58Å; Y296-V298 HydrophobicContact CE2-CG2 3.63Å; Y296-H315 HydrophobicContact CD1-CB 3.97Å; Y296-H315 HydrophobicContact CD2-CB 3.9Å; Y296-H315 HydrophobicContact CE1-CB 3.52Å; Y296-H315 HydrophobicContact CE2-CB 3.43Å; Y296-H315 VanDerWaalsContact CE2-CB 3.43Å; Y296-H315 AromaticContact CE2-CD2 3.56Å; Y296-H315 AromaticContact CE2-CG 3.48Å; Y296-H315 VanDerWaalsContact CE2-CG 3.48Å; Y296-H315 HydrophobicContact CG-CB 4.14Å; Y296-H315 AromaticContact CZ-CG 3.52Å; Y296-H315 PolarHBondContact N-O 2.98Å; Y296-H315 VanDerWaalsContact N-O 3.09Å; Y296-H315 PolarHBondContact O-N 2.75Å |
| 297 | I | 88.8 | Confident | 83.5 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.8 | -178.7 | -61 | 169.9 | 0 | 0 | 0 | 107.7 | L295 L312 L314 | L295-I297 HydrophobicContact CD2-CG1 4.45Å; I297-L312 HydrophobicContact CG2-CD1 3.37Å; I297-L312 HydrophobicContact CG2-CG 4.03Å; I297-L314 HydrophobicContact CG1-CD1 3.81Å |
| 298 | V | 86.6 | Confident | 84.8 | Confident | 50 Ų | 50 | 93.6 Ų | 93.6 | 30% | 0.303 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.3 | 178 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | Y296 S313 | Y296-V298 HydrophobicContact CD2-CG2 3.58Å; Y296-V298 HydrophobicContact CE2-CG2 3.63Å; V298-S313 PolarHBondContact N-O 2.89Å; V298-S313 PolarHBondContact O-N 3.47Å |
| 299 | E | 90.1 | Very high | 86.1 | Confident | 146 Ų | 146 | 95.7 Ų | 95.7 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.3 | 167.8 | -171.6 | 178.8 | 176.6 | 0 | 0 | 109.3 | L312 | E299-L312 HydrophobicContact CB-CD1 4.14Å |
| 300 | R | 88 | Confident | 87.1 | Confident | 152 Ų | 152 | 97.7 Ų | 97.7 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148 | 178.2 | 63.5 | -175.6 | -65.4 | -172.6 | 2.1 | 111.7 | R311 | R300-R311 HydrophobicContact CG-CB 4.42Å; R300-R311 PolarHBondContact N-O 3.01Å; R300-R311 WeakPolarHBondContact O-CA 3.29Å; R300-R311 PolarHBondContact O-N 2.96Å |
| 301 | K | 91.5 | Very high | 87.6 | Confident | 166 Ų | 166 | 99.9 Ų | 99.9 | 72% | 0.722 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.1 | 166.5 | -72.3 | -177.4 | 179.2 | -179.5 | 0 | 110.1 | Y309 | K301-Y309 CarbonylContact C-O 3.53Å; K301-Y309 VanDerWaalsContact CA-O 3.32Å; K301-Y309 WeakPolarHBondContact CA-O 3.35Å |
| 302 | I | 91 | Very high | 88.2 | Confident | 40 Ų | 40 | 100.9 Ų | 100.9 | 21% | 0.205 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.8 | 173.6 | -169.1 | 173.2 | 0 | 0 | 0 | 109.7 | L304 Y309 R311 | I302-L304 HydrophobicContact CB-CD1 4.32Å; I302-L304 HydrophobicContact CD1-CD1 3.75Å; I302-L304 HydrophobicContact CG1-CD1 3.63Å; I302-L304 HydrophobicContact CG2-CD1 3.93Å; I302-Y309 PolarHBondContact N-O 3.19Å; I302-Y309 PolarHBondContact O-N 3.11Å; I302-R311 HydrophobicContact CG2-CB 4.5Å |
| 303 | S | 91.5 | Very high | 88.7 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 112.7 | 176.8 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | D308 | S303-D308 VanDerWaalsContact CA-OD1 3.26Å; S303-D308 WeakPolarHBondContact CA-OD1 3.35Å; S303-D308 WeakPolarHBondContact CB-OD1 3.42Å; S303-D308 PolarHBondContact OG-OD1 3.48Å |
| 304 | L | 91.8 | Very high | 89 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 166.1 | 171 | -91.3 | 64.8 | 0 | 0 | 0 | 109.3 | I302 T306 G307 Y309 | I302-L304 HydrophobicContact CB-CD1 4.32Å; I302-L304 HydrophobicContact CD1-CD1 3.75Å; I302-L304 HydrophobicContact CG1-CD1 3.63Å; I302-L304 HydrophobicContact CG2-CD1 3.93Å; L304-T306 PolarHBondContact O-N 3.27Å; L304-G307 PolarHBondContact N-O 3.36Å; L304-G307 PolarHBondContact O-N 3.4Å; L304-Y309 HydrophobicContact CB-CD2 4.44Å; L304-Y309 HydrophobicContact CB-CE2 4.26Å |
| 305 | S | 93.6 | Very high | 89.2 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 94% | 0.944 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.9 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 306 | T | 93.7 | Very high | 89.2 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.8 | 179.1 | 58 | 0 | 0 | 0 | 0 | 113.9 | L304 Y309 | L304-T306 PolarHBondContact O-N 3.27Å; T306-Y309 WeakPolarHBondContact OG1-CE2 3.45Å; T306-Y309 PolarHBondContact OG1-OH 2.98Å; T306-Y309 VanDerWaalsContact OG1-OH 3.09Å |
| 307 | G | 93.2 | Very high | 89.2 | Confident | 30 Ų | 30 | 95.3 Ų | 95.3 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.8 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L304 Y309 | L304-G307 PolarHBondContact N-O 3.36Å; L304-G307 PolarHBondContact O-N 3.4Å; G307-Y309 VanDerWaalsContact O-CD2 3.28Å; G307-Y309 WeakPolarHBondContact O-CD2 3.32Å; G307-Y309 VanDerWaalsContact O-CE2 3.25Å; G307-Y309 WeakPolarHBondContact O-CE2 3.42Å |
| 308 | D | 92.7 | Very high | 88.9 | Confident | 112 Ų | 112 | 94.2 Ų | 94.2 | 60% | 0.599 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133 | 179.4 | -72.8 | -24.8 | 0 | 0 | 0 | 112 | S303 | S303-D308 VanDerWaalsContact CA-OD1 3.26Å; S303-D308 WeakPolarHBondContact CA-OD1 3.35Å; S303-D308 WeakPolarHBondContact CB-OD1 3.42Å; S303-D308 PolarHBondContact OG-OD1 3.48Å |
| 309 | Y | 91.8 | Very high | 88.7 | Confident | 120 Ų | 120 | 94.6 Ų | 94.6 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.9 | -178.8 | -59 | -89.5 | 0 | 0 | 0 | 111.2 | K301 I302 L304 T306 G307 | K301-Y309 CarbonylContact C-O 3.53Å; K301-Y309 VanDerWaalsContact CA-O 3.32Å; K301-Y309 WeakPolarHBondContact CA-O 3.35Å; I302-Y309 PolarHBondContact N-O 3.19Å; I302-Y309 PolarHBondContact O-N 3.11Å; L304-Y309 HydrophobicContact CB-CD2 4.44Å; L304-Y309 HydrophobicContact CB-CE2 4.26Å; T306-Y309 WeakPolarHBondContact OG1-CE2 3.45Å; T306-Y309 PolarHBondContact OG1-OH 2.98Å; T306-Y309 VanDerWaalsContact OG1-OH 3.09Å; G307-Y309 VanDerWaalsContact O-CD2 3.28Å; G307-Y309 WeakPolarHBondContact O-CD2 3.32Å; G307-Y309 VanDerWaalsContact O-CE2 3.25Å; G307-Y309 WeakPolarHBondContact O-CE2 3.42Å |
| 310 | S | 92.5 | Very high | 88.3 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 57% | 0.566 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136 | 169.4 | -172 | 0 | 0 | 0 | 0 | 110.4 | ||
| 311 | R | 87.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 88.5 Ų | 88.5 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.5 | 177.2 | 178.3 | 177.9 | -72.6 | 174 | -1.1 | 109.8 | R300 I302 | R300-R311 HydrophobicContact CG-CB 4.42Å; R300-R311 PolarHBondContact N-O 3.01Å; R300-R311 WeakPolarHBondContact O-CA 3.29Å; R300-R311 PolarHBondContact O-N 2.96Å; I302-R311 HydrophobicContact CG2-CB 4.5Å |
| 312 | L | 88.2 | Confident | 87.3 | Confident | 126 Ų | 126 | 85.2 Ų | 85.2 | 66% | 0.66 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128 | 166.2 | -167.6 | 67.8 | 0 | 0 | 0 | 109 | I297 E299 | I297-L312 HydrophobicContact CG2-CD1 3.37Å; I297-L312 HydrophobicContact CG2-CG 4.03Å; E299-L312 HydrophobicContact CB-CD1 4.14Å |
| 313 | S | 85.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 21% | 0.21 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.9 | 178.9 | -61.7 | 0 | 0 | 0 | 0 | 110.1 | V298 | V298-S313 PolarHBondContact N-O 2.89Å; V298-S313 PolarHBondContact O-N 3.47Å |
| 314 | L | 85.8 | Confident | 85.9 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.5 | 174 | 178.1 | 68.7 | 0 | 0 | 0 | 108.7 | L295 I297 L316 | L295-L314 HydrophobicContact CD1-CD1 4.27Å; L295-L314 HydrophobicContact CD2-CD1 3.93Å; L295-L314 HydrophobicContact CG-CD1 3.88Å; I297-L314 HydrophobicContact CG1-CD1 3.81Å; L314-L316 HydrophobicContact CD1-CD2 4.24Å; L314-L316 HydrophobicContact CD2-CD1 4.25Å; L314-L316 HydrophobicContact CD2-CD2 4.21Å; L314-L316 HydrophobicContact CD2-CG 4.28Å; L314-L316 HydrophobicContact CG-CD2 4.1Å; L314-L316 HydrophobicContact CG-CG 4.15Å |
| 315 | H | 84.3 | Confident | 85.5 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.9 | 175.4 | -69.6 | -96.3 | 0 | 0 | 0 | 109.6 | L295 Y296 | L295-H315 WeakPolarHBondContact CA-O 3.35Å; Y296-H315 HydrophobicContact CD1-CB 3.97Å; Y296-H315 HydrophobicContact CD2-CB 3.9Å; Y296-H315 HydrophobicContact CE1-CB 3.52Å; Y296-H315 HydrophobicContact CE2-CB 3.43Å; Y296-H315 VanDerWaalsContact CE2-CB 3.43Å; Y296-H315 AromaticContact CE2-CD2 3.56Å; Y296-H315 AromaticContact CE2-CG 3.48Å; Y296-H315 VanDerWaalsContact CE2-CG 3.48Å; Y296-H315 HydrophobicContact CG-CB 4.14Å; Y296-H315 AromaticContact CZ-CG 3.52Å; Y296-H315 PolarHBondContact N-O 2.98Å; Y296-H315 VanDerWaalsContact N-O 3.09Å; Y296-H315 PolarHBondContact O-N 2.75Å |
| 316 | L | 82.1 | Confident | 85 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.4 | 179.1 | -58.4 | 173.8 | 0 | 0 | 0 | 108.1 | L292 L295 L314 F318 | L292-L316 HydrophobicContact CD1-CB 3.87Å; L292-L316 HydrophobicContact CD1-CD2 3.91Å; L292-L316 HydrophobicContact CD1-CG 4.44Å; L295-L316 HydrophobicContact CB-CD2 4.03Å; L295-L316 HydrophobicContact CD1-CD2 3.52Å; L295-L316 HydrophobicContact CG-CD2 3.63Å; L314-L316 HydrophobicContact CD1-CD2 4.24Å; L314-L316 HydrophobicContact CD2-CD1 4.25Å; L314-L316 HydrophobicContact CD2-CD2 4.21Å; L314-L316 HydrophobicContact CD2-CG 4.28Å; L314-L316 HydrophobicContact CG-CD2 4.1Å; L314-L316 HydrophobicContact CG-CG 4.15Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.56Å; L316-F318 HydrophobicContact CB-CZ 3.88Å; L316-F318 HydrophobicContact CD1-CE2 4.23Å; L316-F318 HydrophobicContact CD1-CZ 4.07Å |
| 317 | T | 83.6 | Confident | 84.4 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.9 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | E293 D294 | E293-T317 PolarHBondContact N-O 3.36Å; D294-T317 WeakPolarHBondContact CA-OG1 3.41Å; D294-T317 VanDerWaalsContact CB-OG1 3.3Å; D294-T317 WeakPolarHBondContact CB-OG1 3.44Å; D294-T317 PolarHBondContact N-OG1 3.17Å; D294-T317 PolarHBondContact O-N 3.44Å; D294-T317 PolarHBondContact O-OG1 2.85Å |
| 318 | F | 82.7 | Confident | 83.9 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.5 | -176.6 | -70.8 | -71.9 | 0 | 0 | 0 | 109.7 | L287 F290 E291 L292 L316 | L287-F318 HydrophobicContact CD1-CD1 3.86Å; L287-F318 HydrophobicContact CD1-CE1 3.4Å; L287-F318 HydrophobicContact CD1-CZ 3.96Å; F290-F318 HydrophobicContact CB-CB 4.06Å; F290-F318 HydrophobicContact CB-CD1 4.18Å; F290-F318 HydrophobicContact CB-CG 4.42Å; F290-F318 HydrophobicContact CD1-CB 4.22Å; F290-F318 HydrophobicContact CG-CB 4.38Å; E291-F318 CarbonylContact O-C 3.51Å; E291-F318 WeakPolarHBondContact O-CA 3.27Å; L292-F318 HydrophobicContact CB-CD1 4.26Å; L292-F318 HydrophobicContact CB-CE1 4.1Å; L292-F318 HydrophobicContact CD1-CD1 4.06Å; L292-F318 HydrophobicContact CD1-CE1 3.65Å; L292-F318 HydrophobicContact CD1-CZ 3.96Å; L292-F318 HydrophobicContact CG-CE1 4.49Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.56Å; L316-F318 HydrophobicContact CB-CZ 3.88Å; L316-F318 HydrophobicContact CD1-CE2 4.23Å; L316-F318 HydrophobicContact CD1-CZ 4.07Å |
| 319 | V | 82 | Confident | 83.6 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.9 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | F290 E291 E293 | F290-V319 CarbonylContact C-O 3.5Å; F290-V319 VanDerWaalsContact CA-O 3.29Å; F290-V319 WeakPolarHBondContact CA-O 3.42Å; E291-V319 PolarHBondContact N-O 3.34Å; E291-V319 PolarHBondContact O-N 3.36Å; E293-V319 HydrophobicContact CB-CB 4.47Å; E293-V319 HydrophobicContact CB-CG2 3.63Å; E293-V319 HydrophobicContact CG-CG2 3.93Å; E293-V319 WeakPolarHBondContact OE2-CG2 3.47Å |
| 320 | R | 81.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.9 | 178.7 | -175.5 | -177.1 | -63.1 | -168.6 | 3.7 | 110.7 | F290 L322 Y325 | F290-R320 HydrophobicContact CD1-CB 4.13Å; F290-R320 HydrophobicContact CE1-CB 4Å; F290-R320 HydrophobicContact CE1-CG 4.29Å; R320-L322 PolarHBondContact O-N 2.87Å; R320-Y325 HydrophobicContact CG-CE2 3.89Å |
| 321 | N | 79.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -76 | 123.3 | 170 | -169.2 | -31 | 0 | 0 | 0 | 110.8 | S54 T289 G323 Y325 | S54-N321 PolarHBondContact O-ND2 2.89Å; T289-N321 PolarHBondContact O-N 3.37Å; N321-G323 PolarHBondContact OD1-N 3.15Å; N321-Y325 WeakPolarHBondContact O-CD2 3.48Å |
| 322 | L | 79.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | trans | -87.2 | -13.9 | -177 | -65.9 | 174.6 | 0 | 0 | 0 | 114.2 | R320 F324 Y325 W326 | R320-L322 PolarHBondContact O-N 2.87Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 2.84Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.28Å; L322-W326 VanDerWaalsContact O-CD1 3.29Å; L322-W326 PolarHBondContact O-N 2.95Å; L322-W326 VanDerWaalsContact O-N 3.07Å | ||
| 323 | G | 75.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N321 W326 V327 | N321-G323 PolarHBondContact OD1-N 3.15Å; G323-W326 PolarHBondContact O-N 3.33Å; G323-V327 PolarHBondContact O-N 3.47Å |
| 324 | F | 77.1 | Confident | 83.7 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.1 | 176.5 | -87.7 | 0 | 0 | 0 | 112.6 | N47 K52 L322 W326 V327 Q328 | N47-F324 HydrophobicContact CB-CZ 4.5Å; K52-F324 HydrophobicContact CB-CE2 4.48Å; K52-F324 HydrophobicContact CB-CZ 4.45Å; K52-F324 HydrophobicContact CG-CE2 4.38Å; K52-F324 HydrophobicContact CG-CZ 3.94Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 2.84Å; F324-W326 VanDerWaalsContact C-N 3.33Å; F324-W326 PolarHBondContact O-N 2.96Å; F324-V327 PolarHBondContact O-N 2.86Å; F324-Q328 VanDerWaalsContact CE2-CD 3.44Å; F324-Q328 WeakPolarHBondContact O-CB 3.4Å; F324-Q328 VanDerWaalsContact O-CG 3.3Å; F324-Q328 WeakPolarHBondContact O-CG 3.05Å; F324-Q328 PolarHBondContact O-N 3Å |
| 325 | Y | 82.6 | Confident | 83.8 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -33.9 | -179.2 | -61.8 | -78.4 | 0 | 0 | 0 | 112.1 | R320 N321 L322 I329 Y330 | R320-Y325 HydrophobicContact CG-CE2 3.89Å; N321-Y325 WeakPolarHBondContact O-CD2 3.48Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.28Å; Y325-I329 HydrophobicContact CD1-CD1 3.78Å; Y325-I329 WeakPolarHBondContact O-CB 3.39Å; Y325-I329 PolarHBondContact O-N 2.91Å; Y325-Y330 WeakPolarHBondContact O-CD2 3.31Å; Y325-Y330 PolarHBondContact O-N 3.02Å |
| 326 | W | 83.9 | Confident | 84.2 | Confident | 143 Ų | 143 | 46.1 Ų | 46.1 | 54% | 0.542 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -57.5 | -53.3 | 174.5 | -85.5 | 111.7 | 0 | 0 | 0 | 112.4 | L322 G323 F324 Q328 Y330 Q331 | L322-W326 VanDerWaalsContact O-CD1 3.29Å; L322-W326 PolarHBondContact O-N 2.95Å; L322-W326 VanDerWaalsContact O-N 3.07Å; G323-W326 PolarHBondContact O-N 3.33Å; F324-W326 VanDerWaalsContact C-N 3.33Å; F324-W326 PolarHBondContact O-N 2.96Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; W326-Q328 PolarHBondContact O-N 3.28Å; W326-Y330 HydrophobicContact CD2-CD2 4.12Å; W326-Y330 HydrophobicContact CD2-CG 4.43Å; W326-Y330 HydrophobicContact CE3-CD2 4.03Å; W326-Y330 AromaticContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CG-CD2 4.48Å; W326-Y330 HydrophobicContact CZ3-CD1 4.47Å; W326-Y330 HydrophobicContact CZ3-CD2 4.46Å; W326-Y330 HydrophobicContact CZ3-CG 4.02Å; W326-Y330 PolarHBondContact O-N 2.95Å; W326-Q331 WeakPolarHBondContact O-CB 3.38Å; W326-Q331 PolarHBondContact O-N 2.69Å |
| 327 | V | 81 | Confident | 84.6 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -69.9 | -34.8 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 111 | M43 I56 D60 G323 F324 Q331 P332 | M43-V327 HydrophobicContact CE-CB 4.43Å; M43-V327 HydrophobicContact CE-CG1 3.36Å; M43-V327 WeakPolarHBondContact CE-O 3.35Å; I56-V327 HydrophobicContact CD1-CG2 4.33Å; I56-V327 HydrophobicContact CG1-CG2 4.26Å; I56-V327 HydrophobicContact CG2-CG2 4.36Å; D60-V327 HydrophobicContact CB-CG1 3.88Å; G323-V327 PolarHBondContact O-N 3.47Å; F324-V327 PolarHBondContact O-N 2.86Å; V327-Q331 WeakPolarHBondContact O-CB 3.29Å; V327-P332 WeakPolarHBondContact O-CD 3.4Å |
| 328 | Q | 81.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -99.6 | -24.8 | -168.7 | -60.5 | -175.9 | 8.8 | 0 | 0 | 116.2 | N47 F324 W326 P332 | N47-Q328 VanDerWaalsContact CB-OE1 3.27Å; N47-Q328 WeakPolarHBondContact ND2-CG 3.29Å; N47-Q328 PolarHBondContact ND2-NE2 2.87Å; N47-Q328 PolarHBondContact ND2-OE1 2.86Å; N47-Q328 VanDerWaalsContact OD1-CD 3.22Å; N47-Q328 PolarHBondContact OD1-NE2 3.43Å; F324-Q328 VanDerWaalsContact CE2-CD 3.44Å; F324-Q328 WeakPolarHBondContact O-CB 3.4Å; F324-Q328 VanDerWaalsContact O-CG 3.3Å; F324-Q328 WeakPolarHBondContact O-CG 3.05Å; F324-Q328 PolarHBondContact O-N 3Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; W326-Q328 PolarHBondContact O-N 3.28Å; Q328-P332 WeakPolarHBondContact O-CG 3.29Å |
| 329 | I | 85.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -115 | -55.1 | -177.1 | -54.6 | -179.8 | 0 | 0 | 0 | 109.3 | Y325 S333 T372 V385 L389 | Y325-I329 HydrophobicContact CD1-CD1 3.78Å; Y325-I329 WeakPolarHBondContact O-CB 3.39Å; Y325-I329 PolarHBondContact O-N 2.91Å; I329-S333 WeakPolarHBondContact O-CB 3.35Å; I329-S333 PolarHBondContact O-N 2.64Å; I329-S333 VanDerWaalsContact O-N 3.14Å; I329-S333 PolarHBondContact O-OG 3.11Å; I329-T372 HydrophobicContact CD1-CG2 3.74Å; I329-V385 HydrophobicContact CD1-CG2 4.24Å; I329-V385 HydrophobicContact CG2-CG2 3.77Å; I329-L389 HydrophobicContact CG2-CD1 4.17Å; I329-L389 HydrophobicContact CG2-CD2 4.16Å; I329-L389 HydrophobicContact CG2-CG 4.44Å |
| 330 | Y | 89.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -69.5 | -46.3 | -175.1 | -67.6 | -75 | 0 | 0 | 0 | 112.1 | Y325 W326 S333 I334 Y388 | Y325-Y330 WeakPolarHBondContact O-CD2 3.31Å; Y325-Y330 PolarHBondContact O-N 3.02Å; W326-Y330 HydrophobicContact CD2-CD2 4.12Å; W326-Y330 HydrophobicContact CD2-CG 4.43Å; W326-Y330 HydrophobicContact CE3-CD2 4.03Å; W326-Y330 AromaticContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CG-CD2 4.48Å; W326-Y330 HydrophobicContact CZ3-CD1 4.47Å; W326-Y330 HydrophobicContact CZ3-CD2 4.46Å; W326-Y330 HydrophobicContact CZ3-CG 4.02Å; W326-Y330 PolarHBondContact O-N 2.95Å; Y330-S333 WeakPolarHBondContact CA-OG 3.46Å; Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 2.97Å; Y330-I334 WeakPolarHBondContact O-CD1 3.49Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 2.64Å; Y330-Y388 AromaticContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD2 4.44Å; Y330-Y388 AromaticContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE2 4.12Å; Y330-Y388 HydrophobicContact CD1-CG 4.33Å; Y330-Y388 AromaticContact CD1-CZ 3.67Å; Y330-Y388 AromaticContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD2 4.1Å; Y330-Y388 AromaticContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE2 4.24Å; Y330-Y388 AromaticContact CE1-CG 3.84Å; Y330-Y388 HydrophobicContact CE1-CG 3.84Å |
| 331 | Q | 87.7 | Confident | 86 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -52.9 | 179.1 | 176.7 | 178.5 | -32.4 | 0 | 0 | 113.5 | G64 W326 V327 S333 M335 | G64-Q331 VanDerWaalsContact CA-NE2 3.25Å; W326-Q331 WeakPolarHBondContact O-CB 3.38Å; W326-Q331 PolarHBondContact O-N 2.69Å; V327-Q331 WeakPolarHBondContact O-CB 3.29Å; Q331-S333 PolarHBondContact O-N 3.45Å; Q331-M335 WeakPolarHBondContact O-CG 3.49Å; Q331-M335 PolarHBondContact O-N 2.71Å |
| 332 | P | 89.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 178.9 | 21.6 | -30.3 | 0 | 0 | 0 | 112.4 | T40 M43 F67 V327 Q328 M335 V336 L368 | T40-P332 HydrophobicContact CG2-CB 3.92Å; M43-P332 HydrophobicContact SD-CG 4.44Å; F67-P332 HydrophobicContact CE1-CB 4.43Å; F67-P332 HydrophobicContact CZ-CB 4.25Å; V327-P332 WeakPolarHBondContact O-CD 3.4Å; Q328-P332 WeakPolarHBondContact O-CG 3.29Å; P332-M335 PolarHBondContact O-N 3.17Å; P332-V336 WeakPolarHBondContact O-CB 3.27Å; P332-V336 WeakPolarHBondContact O-CG2 3.2Å; P332-V336 PolarHBondContact O-N 3.35Å; P332-L368 HydrophobicContact CB-CD1 4.4Å; P332-L368 HydrophobicContact CB-CD2 4.4Å; P332-L368 HydrophobicContact CG-CD2 4.33Å |
| 333 | S | 90.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | I329 Y330 Q331 M335 V336 V337 M365 Y388 | I329-S333 WeakPolarHBondContact O-CB 3.35Å; I329-S333 PolarHBondContact O-N 2.64Å; I329-S333 VanDerWaalsContact O-N 3.14Å; I329-S333 PolarHBondContact O-OG 3.11Å; Y330-S333 WeakPolarHBondContact CA-OG 3.46Å; Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 2.97Å; Q331-S333 PolarHBondContact O-N 3.45Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 2.9Å; S333-V336 PolarHBondContact O-N 3.04Å; S333-V337 WeakPolarHBondContact O-CG2 3.37Å; S333-V337 PolarHBondContact O-N 3.31Å; S333-M365 VanDerWaalsContact O-CE 3.24Å; S333-M365 WeakPolarHBondContact O-CE 3.41Å; S333-Y388 WeakPolarHBondContact OG-CE1 3.27Å; S333-Y388 PolarHBondContact OG-OH 2.95Å |
| 334 | I | 90.8 | Very high | 87 | Confident | 69 Ų | 69 | 33.6 Ų | 33.6 | 35% | 0.354 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.3 | -67.5 | 167.3 | 0 | 0 | 0 | 110.6 | Y330 V337 T338 Y388 | Y330-I334 WeakPolarHBondContact O-CD1 3.49Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 2.64Å; I334-V337 PolarHBondContact O-N 3.5Å; I334-T338 PolarHBondContact O-N 3.39Å; I334-T338 PolarHBondContact O-OG1 3.39Å; I334-Y388 WeakPolarHBondContact CG1-OH 3.36Å |
| 335 | M | 89 | Confident | 87.2 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 21% | 0.207 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | -179.9 | -63.6 | -60.2 | 133.7 | 0 | 0 | 111.6 | F67 F71 Q331 P332 S333 V337 T338 I339 | F67-M335 HydrophobicContact CD1-CB 4.39Å; F67-M335 HydrophobicContact CD1-CG 4.08Å; F67-M335 HydrophobicContact CE1-CB 3.46Å; F67-M335 VanDerWaalsContact CE1-CB 3.46Å; F67-M335 HydrophobicContact CE1-CG 3.57Å; F67-M335 HydrophobicContact CZ-CB 4.11Å; F71-M335 HydrophobicContact CD1-SD 3.51Å; F71-M335 VanDerWaalsContact CD1-SD 3.51Å; F71-M335 HydrophobicContact CD2-SD 4.46Å; F71-M335 HydrophobicContact CE1-SD 3.51Å; F71-M335 VanDerWaalsContact CE1-SD 3.51Å; F71-M335 HydrophobicContact CE2-SD 4.49Å; F71-M335 HydrophobicContact CG-SD 4Å; F71-M335 HydrophobicContact CZ-SD 4.05Å; Q331-M335 WeakPolarHBondContact O-CG 3.49Å; Q331-M335 PolarHBondContact O-N 2.71Å; P332-M335 PolarHBondContact O-N 3.17Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 2.9Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.07Å; M335-T338 CarbonylContact O-C 3.53Å; M335-T338 WeakPolarHBondContact O-CA 3.35Å; M335-T338 WeakPolarHBondContact O-CB 3.39Å; M335-T338 PolarHBondContact O-N 3.48Å; M335-I339 WeakPolarHBondContact O-CG1 3.49Å; M335-I339 PolarHBondContact O-N 3.22Å |
| 336 | V | 91.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | P332 S333 T338 I339 S340 T361 T364 M365 L368 | P332-V336 WeakPolarHBondContact O-CB 3.27Å; P332-V336 WeakPolarHBondContact O-CG2 3.2Å; P332-V336 PolarHBondContact O-N 3.35Å; S333-V336 PolarHBondContact O-N 3.04Å; V336-T338 VanDerWaalsContact C-N 3.32Å; V336-T338 PolarHBondContact O-N 3.13Å; V336-I339 PolarHBondContact O-N 3.14Å; V336-S340 PolarHBondContact O-N 3.29Å; V336-S340 VanDerWaalsContact O-N 3.13Å; V336-T361 HydrophobicContact CG1-CG2 4.36Å; V336-T364 HydrophobicContact CB-CG2 4.39Å; V336-T364 HydrophobicContact CG1-CG2 3.96Å; V336-T364 HydrophobicContact CG2-CG2 3.5Å; V336-M365 HydrophobicContact CB-CE 4.04Å; V336-M365 HydrophobicContact CG1-CE 3.93Å; V336-M365 HydrophobicContact CG1-CG 4.1Å; V336-L368 HydrophobicContact CG2-CD1 4.39Å |
| 337 | V | 91.5 | Very high | 86.9 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 9% | 0.085 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | S333 I334 M335 I339 S340 W341 M365 L395 V396 | S333-V337 WeakPolarHBondContact O-CG2 3.37Å; S333-V337 PolarHBondContact O-N 3.31Å; I334-V337 PolarHBondContact O-N 3.5Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.07Å; V337-I339 VanDerWaalsContact C-N 3.3Å; V337-I339 PolarHBondContact O-N 3.13Å; V337-S340 WeakPolarHBondContact O-CB 3.27Å; V337-S340 PolarHBondContact O-N 2.95Å; V337-S340 PolarHBondContact O-OG 3.3Å; V337-W341 HydrophobicContact CG1-CZ2 4.15Å; V337-W341 PolarHBondContact O-N 3.09Å; V337-M365 HydrophobicContact CG2-CE 3.59Å; V337-L395 HydrophobicContact CG1-CB 4.14Å; V337-L395 HydrophobicContact CG1-CD1 3.88Å; V337-V396 HydrophobicContact CG2-CG2 4.42Å |
| 338 | T | 89.8 | Confident | 86.6 | Confident | 41 Ų | 41 | 34.9 Ų | 34.9 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.1 | -33.5 | 180 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | F71 I334 M335 V336 S340 W341 V342 | F71-T338 HydrophobicContact CE1-CG2 4.48Å; F71-T338 HydrophobicContact CE2-CG2 4.33Å; F71-T338 HydrophobicContact CZ-CG2 3.57Å; I334-T338 PolarHBondContact O-N 3.39Å; I334-T338 PolarHBondContact O-OG1 3.39Å; M335-T338 CarbonylContact O-C 3.53Å; M335-T338 WeakPolarHBondContact O-CA 3.35Å; M335-T338 WeakPolarHBondContact O-CB 3.39Å; M335-T338 PolarHBondContact O-N 3.48Å; V336-T338 VanDerWaalsContact C-N 3.32Å; V336-T338 PolarHBondContact O-N 3.13Å; T338-S340 VanDerWaalsContact C-N 3.33Å; T338-S340 PolarHBondContact O-N 3.18Å; T338-W341 WeakPolarHBondContact O-CB 3.35Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 VanDerWaalsContact O-N 3.15Å; T338-V342 PolarHBondContact O-N 3.49Å |
| 339 | I | 89.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 172.2 | -69.3 | 171.3 | 0 | 0 | 0 | 111.2 | V36 F71 L74 M335 V336 V337 W341 V342 L357 T361 | V36-I339 HydrophobicContact CB-CD1 3.79Å; V36-I339 HydrophobicContact CG1-CD1 3.43Å; V36-I339 VanDerWaalsContact CG1-CD1 3.43Å; V36-I339 HydrophobicContact CG2-CD1 3.82Å; F71-I339 HydrophobicContact CD2-CD1 4.05Å; F71-I339 HydrophobicContact CD2-CG1 3.75Å; F71-I339 HydrophobicContact CE2-CD1 4.35Å; F71-I339 HydrophobicContact CE2-CG1 3.57Å; L74-I339 HydrophobicContact CD1-CD1 3.88Å; L74-I339 HydrophobicContact CD1-CG1 4.01Å; M335-I339 WeakPolarHBondContact O-CG1 3.49Å; M335-I339 PolarHBondContact O-N 3.22Å; V336-I339 PolarHBondContact O-N 3.14Å; V337-I339 VanDerWaalsContact C-N 3.3Å; V337-I339 PolarHBondContact O-N 3.13Å; I339-W341 PolarHBondContact O-N 3.11Å; I339-V342 VanDerWaalsContact O-CB 3.29Å; I339-V342 WeakPolarHBondContact O-CB 3.39Å; I339-V342 PolarHBondContact O-N 3Å; I339-L357 HydrophobicContact CG2-CD2 3.58Å; I339-T361 HydrophobicContact CB-CG2 4.23Å; I339-T361 HydrophobicContact CG2-CG2 3.82Å |
| 340 | S | 88.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -32.8 | 175.8 | 81.3 | 0 | 0 | 0 | 0 | 111.5 | V336 V337 T338 S343 | V336-S340 PolarHBondContact O-N 3.29Å; V336-S340 VanDerWaalsContact O-N 3.13Å; V337-S340 WeakPolarHBondContact O-CB 3.27Å; V337-S340 PolarHBondContact O-N 2.95Å; V337-S340 PolarHBondContact O-OG 3.3Å; T338-S340 VanDerWaalsContact C-N 3.33Å; T338-S340 PolarHBondContact O-N 3.18Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 2.98Å; S340-S343 PolarHBondContact O-OG 3.19Å |
| 341 | W | 89.8 | Confident | 85.9 | Confident | 119 Ų | 119 | 41.3 Ų | 41.3 | 45% | 0.451 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.5 | -23 | 176.4 | -58.6 | -6.3 | 0 | 0 | 0 | 113.6 | V337 T338 I339 S343 F344 | V337-W341 HydrophobicContact CG1-CZ2 4.15Å; V337-W341 PolarHBondContact O-N 3.09Å; T338-W341 WeakPolarHBondContact O-CB 3.35Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 VanDerWaalsContact O-N 3.15Å; I339-W341 PolarHBondContact O-N 3.11Å; W341-S343 PolarHBondContact O-N 3.02Å; W341-S343 VanDerWaalsContact O-N 3.16Å; W341-F344 HydrophobicContact CB-CD2 4.1Å; W341-F344 HydrophobicContact CB-CE2 4.09Å; W341-F344 AromaticContact CD1-CE2 3.94Å; W341-F344 HydrophobicContact CG-CE2 4.13Å; W341-F344 WeakPolarHBondContact O-CB 3.42Å; W341-F344 WeakPolarHBondContact O-CD2 3.45Å; W341-F344 WeakPolarHBondContact O-CG 3.38Å; W341-F344 PolarHBondContact O-N 2.77Å |
| 342 | V | 85.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -27.4 | 173 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | A78 T338 I339 F344 W345 I346 | A78-V342 HydrophobicContact CB-CG1 3.77Å; T338-V342 PolarHBondContact O-N 3.49Å; I339-V342 VanDerWaalsContact O-CB 3.29Å; I339-V342 WeakPolarHBondContact O-CB 3.39Å; I339-V342 PolarHBondContact O-N 3Å; V342-F344 PolarHBondContact O-N 3.17Å; V342-F344 VanDerWaalsContact O-N 3.11Å; V342-W345 PolarHBondContact O-N 3.5Å; V342-I346 PolarHBondContact O-N 3.22Å |
| 343 | S | 84.2 | Confident | 85.7 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.6 | 174.7 | 76.7 | 0 | 0 | 0 | 0 | 114.5 | S340 W341 I346 | S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 2.98Å; S340-S343 PolarHBondContact O-OG 3.19Å; W341-S343 PolarHBondContact O-N 3.02Å; W341-S343 VanDerWaalsContact O-N 3.16Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å |
| 344 | F | 85.5 | Confident | 85.6 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -28.4 | 175.1 | -54.7 | -32 | 0 | 0 | 0 | 112.8 | W341 V342 A399 E402 | W341-F344 HydrophobicContact CB-CD2 4.1Å; W341-F344 HydrophobicContact CB-CE2 4.09Å; W341-F344 AromaticContact CD1-CE2 3.94Å; W341-F344 HydrophobicContact CG-CE2 4.13Å; W341-F344 WeakPolarHBondContact O-CB 3.42Å; W341-F344 WeakPolarHBondContact O-CD2 3.45Å; W341-F344 WeakPolarHBondContact O-CG 3.38Å; W341-F344 PolarHBondContact O-N 2.77Å; V342-F344 PolarHBondContact O-N 3.17Å; V342-F344 VanDerWaalsContact O-N 3.11Å; F344-A399 HydrophobicContact CE1-CB 4.06Å; F344-A399 HydrophobicContact CZ-CB 3.85Å; F344-E402 HydrophobicContact CD1-CG 4.35Å; F344-E402 WeakPolarHBondContact CD1-OE2 3.44Å; F344-E402 HydrophobicContact CE1-CB 4.02Å; F344-E402 HydrophobicContact CE1-CG 3.9Å; F344-E402 WeakPolarHBondContact CE1-OE2 3.39Å |
| 345 | W | 82.7 | Confident | 85.5 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -32.8 | -173.6 | -61.3 | 80.3 | 0 | 0 | 0 | 113.1 | A78 Y82 V342 | A78-W345 HydrophobicContact CB-CB 4.18Å; Y82-W345 HydrophobicContact CD1-CE3 4.47Å; Y82-W345 HydrophobicContact CD1-CZ3 4.28Å; Y82-W345 HydrophobicContact CD2-CE3 4.08Å; Y82-W345 HydrophobicContact CD2-CZ3 4.38Å; Y82-W345 AromaticContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CZ3 4.2Å; V342-W345 PolarHBondContact O-N 3.5Å |
| 346 | I | 81.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -57.6 | 143.6 | 174.7 | -179.4 | 81.3 | 0 | 0 | 0 | 110.1 | V29 Y77 V342 S343 A353 R354 | V29-I346 HydrophobicContact CG2-CD1 4.08Å; Y77-I346 HydrophobicContact CE1-CD1 3.8Å; Y77-I346 WeakPolarHBondContact OH-CD1 3.02Å; V342-I346 PolarHBondContact O-N 3.22Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å; I346-A353 HydrophobicContact CD1-CB 4.42Å; I346-A353 HydrophobicContact CG1-CB 4.41Å; I346-R354 HydrophobicContact CG1-CG 4.43Å; I346-R354 HydrophobicContact CG2-CG 3.43Å; I346-R354 VanDerWaalsContact CG2-CG 3.43Å; I346-R354 PolarHBondContact O-NH2 3.39Å |
| 347 | S | 77.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | trans | -65.2 | 155.5 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 112 | D349 R354 | S347-D349 PolarHBondContact O-N 2.96Å; S347-R354 PolarHBondContact O-NE 3.04Å; S347-R354 VanDerWaalsContact O-NE 3.11Å | ||
| 348 | R | 74.9 | Confident | 85.4 | Confident | 82 Ų | 82 | 43 Ų | 43 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.1 | 177.9 | -156.8 | -157.3 | -124.6 | 103.2 | -10.5 | 112.1 | S350 V406 T409 V410 | R348-S350 PolarHBondContact O-N 3.34Å; R348-V406 HydrophobicContact CG-CG1 4.23Å; R348-V406 VanDerWaalsContact CZ-O 3.31Å; R348-V406 VanDerWaalsContact NE-CG1 3.26Å; R348-V406 PolarHBondContact NE-O 3.13Å; R348-V406 VanDerWaalsContact NH2-CA 3.33Å; R348-V406 PolarHBondContact NH2-O 3.42Å; R348-T409 PolarHBondContact NH2-OG1 2.95Å; R348-V410 VanDerWaalsContact NE-CG2 3.33Å; R348-V410 VanDerWaalsContact NH1-CG2 3.29Å; R348-V410 VanDerWaalsContact NH2-CG2 3.29Å |
| 349 | D | 75.6 | Confident | 85.5 | Confident | 133 Ų | 133 | 45.9 Ų | 45.9 | 71% | 0.711 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -25.9 | -177.3 | -52 | -40 | 0 | 0 | 0 | 112 | S347 A351 | S347-D349 PolarHBondContact O-N 2.96Å; D349-A351 PolarHBondContact O-N 3.47Å |
| 350 | S | 81.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | trans | -100.8 | 62.6 | 176.7 | -55 | 0 | 0 | 0 | 0 | 111.4 | R348 P352 A353 | R348-S350 PolarHBondContact O-N 3.34Å; S350-P352 VanDerWaalsContact C-N 3.26Å; S350-A353 PolarHBondContact O-N 3Å; S350-A353 VanDerWaalsContact O-N 3.14Å | ||
| 351 | A | 84.2 | Confident | 85.7 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -47.6 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D349 A353 R354 V355 | D349-A351 PolarHBondContact O-N 3.47Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 3.37Å; A351-R354 PolarHBondContact O-N 2.65Å; A351-V355 WeakPolarHBondContact O-CG2 3.38Å; A351-V355 PolarHBondContact O-N 3.46Å |
| 352 | P | 86.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 53% | 0.532 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.2 | -43 | 179.3 | -25.3 | 35.1 | 0 | 0 | 0 | 113.1 | S350 R354 V355 T356 | S350-P352 VanDerWaalsContact C-N 3.26Å; P352-R354 VanDerWaalsContact C-N 3.32Å; P352-R354 PolarHBondContact O-N 3.46Å; P352-V355 PolarHBondContact O-N 3.4Å; P352-T356 PolarHBondContact O-N 2.62Å; P352-T356 PolarHBondContact O-OG1 2.96Å |
| 353 | A | 86.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -40 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P26 V29 I346 S350 A351 L357 | P26-A353 HydrophobicContact CB-CB 4.47Å; V29-A353 HydrophobicContact CB-CB 4.07Å; V29-A353 HydrophobicContact CG1-CB 4.17Å; V29-A353 HydrophobicContact CG2-CB 4.11Å; I346-A353 HydrophobicContact CD1-CB 4.42Å; I346-A353 HydrophobicContact CG1-CB 4.41Å; S350-A353 PolarHBondContact O-N 3Å; S350-A353 VanDerWaalsContact O-N 3.14Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 3.37Å; A353-L357 WeakPolarHBondContact O-CB 3.03Å; A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.04Å |
| 354 | R | 88.6 | Confident | 86.6 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 5% | 0.053 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 179.5 | -69.3 | 174.2 | 174.5 | -131.6 | -4.2 | 112.1 | I346 S347 A351 P352 L357 G358 Y403 | I346-R354 HydrophobicContact CG1-CG 4.43Å; I346-R354 HydrophobicContact CG2-CG 3.43Å; I346-R354 VanDerWaalsContact CG2-CG 3.43Å; I346-R354 PolarHBondContact O-NH2 3.39Å; S347-R354 PolarHBondContact O-NE 3.04Å; S347-R354 VanDerWaalsContact O-NE 3.11Å; A351-R354 PolarHBondContact O-N 2.65Å; P352-R354 VanDerWaalsContact C-N 3.32Å; P352-R354 PolarHBondContact O-N 3.46Å; R354-L357 WeakPolarHBondContact O-CB 3.2Å; R354-L357 PolarHBondContact O-N 3.24Å; R354-G358 PolarHBondContact O-N 3.43Å; R354-Y403 HydrophobicContact CB-CD2 3.85Å; R354-Y403 HydrophobicContact CB-CE2 3.74Å; R354-Y403 HydrophobicContact CB-CG 4.49Å; R354-Y403 HydrophobicContact CG-CD2 4.36Å; R354-Y403 HydrophobicContact CG-CE2 4.34Å |
| 355 | V | 89.4 | Confident | 87 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.327 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | A351 P352 L357 G358 I359 Y403 | A351-V355 WeakPolarHBondContact O-CG2 3.38Å; A351-V355 PolarHBondContact O-N 3.46Å; P352-V355 PolarHBondContact O-N 3.4Å; V355-L357 PolarHBondContact O-N 2.96Å; V355-G358 PolarHBondContact O-N 3.29Å; V355-I359 HydrophobicContact CG1-CD1 3.52Å; V355-I359 HydrophobicContact CG1-CG1 4.2Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.37Å; V355-Y403 HydrophobicContact CG2-CD1 4.49Å; V355-Y403 HydrophobicContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-OH 3.3Å; V355-Y403 WeakPolarHBondContact CG2-OH 3.45Å |
| 356 | T | 89.5 | Confident | 87.5 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | P352 G358 M360 | P352-T356 PolarHBondContact O-N 2.62Å; P352-T356 PolarHBondContact O-OG1 2.96Å; T356-G358 VanDerWaalsContact C-N 3.34Å; T356-G358 PolarHBondContact O-N 2.96Å; T356-M360 HydrophobicContact CG2-CG 4.06Å; T356-M360 WeakPolarHBondContact O-CB 3.46Å; T356-M360 WeakPolarHBondContact O-CG 3.41Å; T356-M360 PolarHBondContact O-N 3.45Å |
| 357 | L | 89.5 | Confident | 87.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.4 | -48.4 | 174.8 | -87.3 | 164.5 | 0 | 0 | 0 | 112.6 | V29 V33 I339 A353 R354 V355 T361 | V29-L357 HydrophobicContact CG1-CD1 3.44Å; V29-L357 VanDerWaalsContact CG1-CD1 3.44Å; V29-L357 HydrophobicContact CG1-CD2 4.07Å; V29-L357 HydrophobicContact CG1-CG 3.43Å; V29-L357 VanDerWaalsContact CG1-CG 3.43Å; V33-L357 HydrophobicContact CB-CD2 4.41Å; V33-L357 HydrophobicContact CG1-CD2 4.49Å; V33-L357 HydrophobicContact CG2-CD2 3.09Å; V33-L357 HydrophobicContact CG2-CG 3.82Å; I339-L357 HydrophobicContact CG2-CD2 3.58Å; A353-L357 WeakPolarHBondContact O-CB 3.03Å; A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.04Å; R354-L357 WeakPolarHBondContact O-CB 3.2Å; R354-L357 PolarHBondContact O-N 3.24Å; V355-L357 PolarHBondContact O-N 2.96Å; L357-T361 WeakPolarHBondContact O-CB 3.39Å; L357-T361 VanDerWaalsContact O-CG2 3.27Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 3.4Å; L357-T361 PolarHBondContact O-OG1 3.01Å |
| 358 | G | 90.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.7 | -46 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R354 V355 T356 M360 T361 V362 | R354-G358 PolarHBondContact O-N 3.43Å; V355-G358 PolarHBondContact O-N 3.29Å; T356-G358 VanDerWaalsContact C-N 3.34Å; T356-G358 PolarHBondContact O-N 2.96Å; G358-M360 PolarHBondContact O-N 3.27Å; G358-T361 PolarHBondContact O-OG1 3.43Å; G358-V362 WeakPolarHBondContact O-CG2 3.23Å; G358-V362 PolarHBondContact O-N 3.41Å |
| 359 | I | 92.3 | Very high | 89.3 | Confident | 102 Ų | 102 | 41.2 Ų | 41.2 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.5 | -65 | 171.7 | 0 | 0 | 0 | 110.3 | V355 V362 L363 | V355-I359 HydrophobicContact CG1-CD1 3.52Å; V355-I359 HydrophobicContact CG1-CG1 4.2Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.37Å; I359-V362 PolarHBondContact O-N 2.68Å; I359-L363 PolarHBondContact O-N 2.87Å |
| 360 | M | 91.6 | Very high | 90 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | -177.9 | -68.6 | -68.6 | -80.4 | 0 | 0 | 111.7 | V33 L37 T356 G358 V362 L363 T364 | V33-M360 HydrophobicContact CG1-CB 3.69Å; V33-M360 HydrophobicContact CG1-CG 4.08Å; L37-M360 HydrophobicContact CB-CE 4.48Å; L37-M360 HydrophobicContact CD2-CE 3.44Å; L37-M360 VanDerWaalsContact CD2-CE 3.44Å; L37-M360 HydrophobicContact CD2-SD 4.33Å; T356-M360 HydrophobicContact CG2-CG 4.06Å; T356-M360 WeakPolarHBondContact O-CB 3.46Å; T356-M360 WeakPolarHBondContact O-CG 3.41Å; T356-M360 PolarHBondContact O-N 3.45Å; G358-M360 PolarHBondContact O-N 3.27Å; M360-V362 PolarHBondContact O-N 3.42Å; M360-L363 PolarHBondContact O-N 3.07Å; M360-T364 WeakPolarHBondContact O-CB 2.86Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 2.99Å |
| 361 | T | 92 | Very high | 90.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -36.6 | 178.5 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | V336 I339 L357 G358 T364 M365 V396 | V336-T361 HydrophobicContact CG1-CG2 4.36Å; I339-T361 HydrophobicContact CB-CG2 4.23Å; I339-T361 HydrophobicContact CG2-CG2 3.82Å; L357-T361 WeakPolarHBondContact O-CB 3.39Å; L357-T361 VanDerWaalsContact O-CG2 3.27Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 3.4Å; L357-T361 PolarHBondContact O-OG1 3.01Å; G358-T361 PolarHBondContact O-OG1 3.43Å; T361-T364 PolarHBondContact O-N 2.97Å; T361-M365 PolarHBondContact O-N 2.91Å; T361-V396 WeakPolarHBondContact OG1-CG1 3.43Å |
| 362 | V | 94.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -50.4 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | G358 I359 M360 T364 M365 T366 F393 V396 L400 | G358-V362 WeakPolarHBondContact O-CG2 3.23Å; G358-V362 PolarHBondContact O-N 3.41Å; I359-V362 PolarHBondContact O-N 2.68Å; M360-V362 PolarHBondContact O-N 3.42Å; V362-T364 PolarHBondContact O-N 3Å; V362-M365 PolarHBondContact O-N 3.37Å; V362-T366 PolarHBondContact O-N 2.8Å; V362-T366 PolarHBondContact O-OG1 3.29Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å; V362-F393 HydrophobicContact CG1-CE2 3.91Å; V362-F393 HydrophobicContact CG1-CZ 4.35Å; V362-V396 HydrophobicContact CG2-CG1 3.62Å; V362-L400 HydrophobicContact CG2-CD1 3.48Å; V362-L400 VanDerWaalsContact CG2-CD1 3.48Å |
| 363 | L | 93.5 | Very high | 90.4 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 178.4 | -176.9 | 63.9 | 0 | 0 | 0 | 111.6 | I359 M360 T366 T367 | I359-L363 PolarHBondContact O-N 2.87Å; M360-L363 PolarHBondContact O-N 3.07Å; L363-T366 PolarHBondContact O-N 3.47Å; L363-T367 WeakPolarHBondContact O-CB 3.34Å; L363-T367 PolarHBondContact O-N 3.01Å; L363-T367 PolarHBondContact O-OG1 2.85Å |
| 364 | T | 91.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.6 | -52 | 0 | 0 | 0 | 0 | 111.3 | L37 T40 V336 M360 T361 V362 T366 T367 L368 | L37-T364 HydrophobicContact CD1-CG2 3.42Å; L37-T364 VanDerWaalsContact CD1-CG2 3.42Å; L37-T364 WeakPolarHBondContact CD1-OG1 3.34Å; T40-T364 HydrophobicContact CG2-CG2 4.22Å; V336-T364 HydrophobicContact CB-CG2 4.39Å; V336-T364 HydrophobicContact CG1-CG2 3.96Å; V336-T364 HydrophobicContact CG2-CG2 3.5Å; M360-T364 WeakPolarHBondContact O-CB 2.86Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 2.99Å; T361-T364 PolarHBondContact O-N 2.97Å; V362-T364 PolarHBondContact O-N 3Å; T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 PolarHBondContact O-N 3.46Å; T364-T367 WeakPolarHBondContact O-CB 3.08Å; T364-T367 PolarHBondContact O-N 3.18Å; T364-T367 VanDerWaalsContact O-N 3.17Å; T364-L368 HydrophobicContact CG2-CD1 4.38Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.4Å |
| 365 | M | 92.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 176.6 | -91.6 | -65.8 | 159.1 | 0 | 0 | 111.7 | S333 V336 V337 T361 V362 T367 L368 M369 F393 V396 | S333-M365 VanDerWaalsContact O-CE 3.24Å; S333-M365 WeakPolarHBondContact O-CE 3.41Å; V336-M365 HydrophobicContact CB-CE 4.04Å; V336-M365 HydrophobicContact CG1-CE 3.93Å; V336-M365 HydrophobicContact CG1-CG 4.1Å; V337-M365 HydrophobicContact CG2-CE 3.59Å; T361-M365 PolarHBondContact O-N 2.91Å; V362-M365 PolarHBondContact O-N 3.37Å; M365-T367 VanDerWaalsContact C-N 3.31Å; M365-T367 PolarHBondContact O-N 2.83Å; M365-L368 PolarHBondContact O-N 3.16Å; M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 PolarHBondContact O-N 2.94Å; M365-F393 HydrophobicContact CB-CD2 4.07Å; M365-V396 HydrophobicContact CG-CG2 4.03Å |
| 366 | T | 93 | Very high | 89.3 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | V362 L363 T364 M369 T370 | V362-T366 PolarHBondContact O-N 2.8Å; V362-T366 PolarHBondContact O-OG1 3.29Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å; L363-T366 PolarHBondContact O-N 3.47Å; T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 PolarHBondContact O-N 3.46Å; T366-M369 PolarHBondContact O-N 3.39Å; T366-T370 WeakPolarHBondContact O-CB 3.12Å; T366-T370 PolarHBondContact O-N 2.86Å; T366-T370 PolarHBondContact O-OG1 3.41Å |
| 367 | T | 91.6 | Very high | 88.8 | Confident | 55 Ų | 55 | 42.3 Ų | 42.3 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | L363 T364 M365 M369 T370 S371 | L363-T367 WeakPolarHBondContact O-CB 3.34Å; L363-T367 PolarHBondContact O-N 3.01Å; L363-T367 PolarHBondContact O-OG1 2.85Å; T364-T367 WeakPolarHBondContact O-CB 3.08Å; T364-T367 PolarHBondContact O-N 3.18Å; T364-T367 VanDerWaalsContact O-N 3.17Å; M365-T367 VanDerWaalsContact C-N 3.31Å; M365-T367 PolarHBondContact O-N 2.83Å; T367-M369 VanDerWaalsContact C-N 3.35Å; T367-M369 PolarHBondContact O-N 3.29Å; T367-T370 PolarHBondContact O-N 2.86Å; T367-S371 VanDerWaalsContact O-CB 3.3Å; T367-S371 WeakPolarHBondContact O-CB 3.23Å; T367-S371 PolarHBondContact O-N 2.9Å |
| 368 | L | 91.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.9 | -72.6 | 176.5 | 0 | 0 | 0 | 111.8 | T40 T44 P332 V336 T364 M365 T372 | T40-L368 HydrophobicContact CG2-CD1 4.36Å; T40-L368 HydrophobicContact CG2-CD2 3.67Å; T40-L368 HydrophobicContact CG2-CG 4.2Å; T44-L368 HydrophobicContact CG2-CD2 3.91Å; P332-L368 HydrophobicContact CB-CD1 4.4Å; P332-L368 HydrophobicContact CB-CD2 4.4Å; P332-L368 HydrophobicContact CG-CD2 4.33Å; V336-L368 HydrophobicContact CG2-CD1 4.39Å; T364-L368 HydrophobicContact CG2-CD1 4.38Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.4Å; M365-L368 PolarHBondContact O-N 3.16Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.11Å; L368-T372 PolarHBondContact O-N 3.17Å; L368-T372 PolarHBondContact O-OG1 3.17Å |
| 369 | M | 90.6 | Very high | 88 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.4 | -169.9 | 69.3 | 174.1 | 0 | 0 | 111.5 | M365 T366 T367 N373 D386 L389 | M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 PolarHBondContact O-N 2.94Å; T366-M369 PolarHBondContact O-N 3.39Å; T367-M369 VanDerWaalsContact C-N 3.35Å; T367-M369 PolarHBondContact O-N 3.29Å; M369-N373 WeakPolarHBondContact O-CB 3.07Å; M369-N373 PolarHBondContact O-N 3.27Å; M369-N373 PolarHBondContact O-ND2 3.28Å; M369-D386 HydrophobicContact CE-CB 3.65Å; M369-L389 HydrophobicContact SD-CB 3.56Å; M369-L389 VanDerWaalsContact SD-CB 3.56Å; M369-L389 HydrophobicContact SD-CD1 3.83Å; M369-L389 HydrophobicContact SD-CG 4.35Å |
| 370 | T | 90.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 180 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | T366 T367 N373 S374 | T366-T370 WeakPolarHBondContact O-CB 3.12Å; T366-T370 PolarHBondContact O-N 2.86Å; T366-T370 PolarHBondContact O-OG1 3.41Å; T367-T370 PolarHBondContact O-N 2.86Å; T370-N373 PolarHBondContact O-N 3.34Å; T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 2.83Å |
| 371 | S | 88 | Confident | 87.5 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | T367 S374 Q375 | T367-S371 VanDerWaalsContact O-CB 3.3Å; T367-S371 WeakPolarHBondContact O-CB 3.23Å; T367-S371 PolarHBondContact O-N 2.9Å; S371-S374 PolarHBondContact O-N 2.96Å; S371-S374 PolarHBondContact O-OG 3.11Å; S371-Q375 VanDerWaalsContact O-CG 3.25Å; S371-Q375 WeakPolarHBondContact O-CG 3.43Å; S371-Q375 PolarHBondContact O-N 2.9Å; S371-Q375 VanDerWaalsContact O-N 3.16Å; S371-Q375 PolarHBondContact O-NE2 3.14Å; S371-Q375 PolarHBondContact OG-NE2 2.81Å; S371-Q375 VanDerWaalsContact OG-NE2 3.15Å |
| 372 | T | 85.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.3 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | I329 L368 S374 Q375 L376 V385 L389 | I329-T372 HydrophobicContact CD1-CG2 3.74Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.11Å; L368-T372 PolarHBondContact O-N 3.17Å; L368-T372 PolarHBondContact O-OG1 3.17Å; T372-S374 VanDerWaalsContact C-N 3.3Å; T372-S374 PolarHBondContact O-N 3.38Å; T372-Q375 PolarHBondContact O-N 3.33Å; T372-L376 HydrophobicContact CG2-CD1 3.87Å; T372-L376 WeakPolarHBondContact O-CD1 3.4Å; T372-L376 PolarHBondContact O-N 3.42Å; T372-V385 HydrophobicContact CG2-CG1 3.84Å; T372-V385 HydrophobicContact CG2-CG2 3.89Å; T372-L389 HydrophobicContact CG2-CD1 4.28Å |
| 373 | N | 86.6 | Confident | 86.8 | Confident | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -22.6 | -179.4 | -81.9 | -75.9 | 0 | 0 | 0 | 114.1 | M369 T370 L376 K383 D386 | M369-N373 WeakPolarHBondContact O-CB 3.07Å; M369-N373 PolarHBondContact O-N 3.27Å; M369-N373 PolarHBondContact O-ND2 3.28Å; T370-N373 PolarHBondContact O-N 3.34Å; N373-L376 VanDerWaalsContact O-O 3.12Å; N373-K383 PolarHBondContact OD1-NZ 3.09Å; N373-D386 PolarHBondContact ND2-OD1 3.33Å; N373-D386 PolarHBondContact OD1-OD1 3Å |
| 374 | S | 84.2 | Confident | 86.5 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 64% | 0.643 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -81.4 | -28.2 | 173.4 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | T370 S371 T372 | T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 2.83Å; S371-S374 PolarHBondContact O-N 2.96Å; S371-S374 PolarHBondContact O-OG 3.11Å; T372-S374 VanDerWaalsContact C-N 3.3Å; T372-S374 PolarHBondContact O-N 3.38Å |
| 375 | Q | 78.6 | Confident | 86.4 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -79.1 | -23.8 | 179.1 | -72.1 | 176.2 | 48.3 | 0 | 0 | 113.3 | K52 S371 T372 | K52-Q375 PolarHBondContact NZ-O 3.45Å; S371-Q375 VanDerWaalsContact O-CG 3.25Å; S371-Q375 WeakPolarHBondContact O-CG 3.43Å; S371-Q375 PolarHBondContact O-N 2.9Å; S371-Q375 VanDerWaalsContact O-N 3.16Å; S371-Q375 PolarHBondContact O-NE2 3.14Å; S371-Q375 PolarHBondContact OG-NE2 2.81Å; S371-Q375 VanDerWaalsContact OG-NE2 3.15Å; T372-Q375 PolarHBondContact O-N 3.33Å |
| 376 | L | 78.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -98.2 | 147.1 | 175.2 | -70.9 | 90.3 | 0 | 0 | 0 | 109.6 | T372 N373 K383 | T372-L376 HydrophobicContact CG2-CD1 3.87Å; T372-L376 WeakPolarHBondContact O-CD1 3.4Å; T372-L376 PolarHBondContact O-N 3.42Å; N373-L376 VanDerWaalsContact O-O 3.12Å; L376-K383 HydrophobicContact CD2-CD 3.9Å |
| 377 | P | 79.1 | Confident | 86.2 | Confident | 104 Ų | 104 | 67 Ų | 67 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 147.3 | 170.5 | 24.2 | -32.9 | 0 | 0 | 0 | 109.7 | V379 | P377-V379 HydrophobicContact CG-CG2 4.48Å; P377-V379 VanDerWaalsContact O-CG2 3.31Å; P377-V379 WeakPolarHBondContact O-CG2 3.33Å; P377-V379 PolarHBondContact O-N 2.98Å; P377-V379 VanDerWaalsContact O-N 3.15Å |
| 378 | K | 80.4 | Confident | 86.2 | Confident | 213 Ų | 213 | 68 Ų | 68 | 93% | 0.926 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 116.6 | 178.2 | -66.1 | -178.4 | -178 | 176.3 | 0 | 108.3 | ||
| 379 | V | 81.8 | Confident | 86.2 | Confident | 53 Ų | 53 | 68 Ų | 68 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | trans | -121.5 | 141.1 | 177.6 | -165 | 0 | 0 | 0 | 0 | 108.5 | P377 Y381 | P377-V379 HydrophobicContact CG-CG2 4.48Å; P377-V379 VanDerWaalsContact O-CG2 3.31Å; P377-V379 WeakPolarHBondContact O-CG2 3.33Å; P377-V379 PolarHBondContact O-N 2.98Å; P377-V379 VanDerWaalsContact O-N 3.15Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 HydrophobicContact CB-CE1 4.32Å; V379-Y381 HydrophobicContact CG1-CD1 3.33Å; V379-Y381 HydrophobicContact CG1-CD2 4.37Å; V379-Y381 HydrophobicContact CG1-CE1 3.1Å; V379-Y381 HydrophobicContact CG1-CE2 4.17Å; V379-Y381 HydrophobicContact CG1-CG 3.97Å | ||
| 380 | S | 86.9 | Confident | 86.3 | Confident | 132 Ų | 132 | 66.6 Ų | 66.6 | 92% | 0.923 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -76.5 | -16.7 | -174.4 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 381 | Y | 87.2 | Confident | 86.4 | Confident | 151 Ų | 151 | 68.2 Ų | 68.2 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -90.1 | 154 | 177.8 | 63 | -109.2 | 0 | 0 | 0 | 112.4 | V379 K383 | V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 HydrophobicContact CB-CE1 4.32Å; V379-Y381 HydrophobicContact CG1-CD1 3.33Å; V379-Y381 HydrophobicContact CG1-CD2 4.37Å; V379-Y381 HydrophobicContact CG1-CE1 3.1Å; V379-Y381 HydrophobicContact CG1-CE2 4.17Å; V379-Y381 HydrophobicContact CG1-CG 3.97Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CG 4Å; Y381-K383 PolarHBondContact O-N 3.26Å |
| 382 | A | 84.4 | Confident | 86.6 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 116.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I387 | A382-I387 HydrophobicContact CB-CG1 4.43Š|
| 383 | K | 87.1 | Confident | 86.9 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -78 | 148.9 | 176.5 | -58.3 | 178.7 | -65.7 | -59.1 | 0 | 109.2 | N373 L376 Y381 V385 D386 I387 | N373-K383 PolarHBondContact OD1-NZ 3.09Å; L376-K383 HydrophobicContact CD2-CD 3.9Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CG 4Å; Y381-K383 PolarHBondContact O-N 3.26Å; K383-V385 HydrophobicContact CB-CG1 3.91Å; K383-V385 PolarHBondContact O-N 3.29Å; K383-V385 VanDerWaalsContact O-N 3.12Å; K383-D386 WeakPolarHBondContact CB-OD2 3.42Å; K383-D386 VanDerWaalsContact CE-OD2 3.29Å; K383-D386 WeakPolarHBondContact CE-OD2 3.26Å; K383-D386 PolarHBondContact N-OD2 2.9Å; K383-D386 IonicContact NZ-OD1 3.38Å; K383-D386 IonicContact NZ-OD2 3.52Å; K383-D386 PolarHBondContact NZ-OD2 2.98Å; K383-D386 WeakPolarHBondContact O-CA 3.35Å; K383-D386 WeakPolarHBondContact O-CB 3.3Å; K383-D386 PolarHBondContact O-N 3.47Å; K383-I387 PolarHBondContact O-N 3.44Å; K383-I387 VanDerWaalsContact O-N 3.15Å |
| 384 | A | 88.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 73 Ų | 73 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -53.5 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I387 Y388 | A384-I387 PolarHBondContact O-N 2.91Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 3.43Å |
| 385 | V | 88.4 | Confident | 87.7 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 175 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | I329 T372 K383 Y388 L389 | I329-V385 HydrophobicContact CD1-CG2 4.24Å; I329-V385 HydrophobicContact CG2-CG2 3.77Å; T372-V385 HydrophobicContact CG2-CG1 3.84Å; T372-V385 HydrophobicContact CG2-CG2 3.89Å; K383-V385 HydrophobicContact CB-CG1 3.91Å; K383-V385 PolarHBondContact O-N 3.29Å; K383-V385 VanDerWaalsContact O-N 3.12Å; V385-Y388 PolarHBondContact O-N 3.32Å; V385-L389 HydrophobicContact CG2-CD1 4.22Å; V385-L389 HydrophobicContact CG2-CG 4.42Å; V385-L389 WeakPolarHBondContact O-CB 3.19Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.32Å; V385-L389 PolarHBondContact O-N 3.19Å |
| 386 | D | 90.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 178.1 | -62.8 | -33.7 | 0 | 0 | 0 | 110.6 | M369 N373 K383 G390 | M369-D386 HydrophobicContact CE-CB 3.65Å; N373-D386 PolarHBondContact ND2-OD1 3.33Å; N373-D386 PolarHBondContact OD1-OD1 3Å; K383-D386 WeakPolarHBondContact CB-OD2 3.42Å; K383-D386 VanDerWaalsContact CE-OD2 3.29Å; K383-D386 WeakPolarHBondContact CE-OD2 3.26Å; K383-D386 PolarHBondContact N-OD2 2.9Å; K383-D386 IonicContact NZ-OD1 3.38Å; K383-D386 IonicContact NZ-OD2 3.52Å; K383-D386 PolarHBondContact NZ-OD2 2.98Å; K383-D386 WeakPolarHBondContact O-CA 3.35Å; K383-D386 WeakPolarHBondContact O-CB 3.3Å; K383-D386 PolarHBondContact O-N 3.47Å; D386-G390 PolarHBondContact O-N 3.07Å |
| 387 | I | 90.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 175 | -60.9 | 172.1 | 0 | 0 | 0 | 110 | A382 K383 A384 G390 F391 | A382-I387 HydrophobicContact CB-CG1 4.43Å; K383-I387 PolarHBondContact O-N 3.44Å; K383-I387 VanDerWaalsContact O-N 3.15Å; A384-I387 PolarHBondContact O-N 2.91Å; I387-G390 PolarHBondContact O-N 3Å; I387-F391 PolarHBondContact O-N 3.33Å |
| 388 | Y | 92.5 | Very high | 89.5 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 177.8 | 172.2 | -91.5 | 0 | 0 | 0 | 112.4 | Y330 S333 I334 A384 V385 G390 F391 G392 | Y330-Y388 AromaticContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD2 4.44Å; Y330-Y388 AromaticContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE2 4.12Å; Y330-Y388 HydrophobicContact CD1-CG 4.33Å; Y330-Y388 AromaticContact CD1-CZ 3.67Å; Y330-Y388 AromaticContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD2 4.1Å; Y330-Y388 AromaticContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE2 4.24Å; Y330-Y388 AromaticContact CE1-CG 3.84Å; Y330-Y388 HydrophobicContact CE1-CG 3.84Å; S333-Y388 WeakPolarHBondContact OG-CE1 3.27Å; S333-Y388 PolarHBondContact OG-OH 2.95Å; I334-Y388 WeakPolarHBondContact CG1-OH 3.36Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 3.43Å; V385-Y388 PolarHBondContact O-N 3.32Å; Y388-G390 VanDerWaalsContact C-N 3.31Å; Y388-G390 PolarHBondContact O-N 2.93Å; Y388-F391 PolarHBondContact O-N 2.93Å; Y388-G392 PolarHBondContact O-N 3.25Å |
| 389 | L | 91.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66 | -34.7 | 176.9 | -69.5 | 177.4 | 0 | 0 | 0 | 111.7 | I329 M369 T372 V385 G392 F393 | I329-L389 HydrophobicContact CG2-CD1 4.17Å; I329-L389 HydrophobicContact CG2-CD2 4.16Å; I329-L389 HydrophobicContact CG2-CG 4.44Å; M369-L389 HydrophobicContact SD-CB 3.56Å; M369-L389 VanDerWaalsContact SD-CB 3.56Å; M369-L389 HydrophobicContact SD-CD1 3.83Å; M369-L389 HydrophobicContact SD-CG 4.35Å; T372-L389 HydrophobicContact CG2-CD1 4.28Å; V385-L389 HydrophobicContact CG2-CD1 4.22Å; V385-L389 HydrophobicContact CG2-CG 4.42Å; V385-L389 WeakPolarHBondContact O-CB 3.19Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.32Å; V385-L389 PolarHBondContact O-N 3.19Å; L389-G392 PolarHBondContact O-N 3.25Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 PolarHBondContact O-N 3.04Å |
| 390 | G | 92.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | D386 I387 Y388 F393 L394 | D386-G390 PolarHBondContact O-N 3.07Å; I387-G390 PolarHBondContact O-N 3Å; Y388-G390 VanDerWaalsContact C-N 3.31Å; Y388-G390 PolarHBondContact O-N 2.93Å; G390-F393 WeakPolarHBondContact O-CB 3.33Å; G390-F393 PolarHBondContact O-N 2.9Å; G390-L394 WeakPolarHBondContact O-CG 3.42Å; G390-L394 PolarHBondContact O-N 2.6Å |
| 391 | F | 91.8 | Very high | 90.6 | Very high | 124 Ų | 124 | 59.6 Ų | 59.6 | 54% | 0.544 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 173.3 | -175.7 | -103.7 | 0 | 0 | 0 | 112 | I387 Y388 F393 L394 L395 | I387-F391 PolarHBondContact O-N 3.33Å; Y388-F391 PolarHBondContact O-N 2.93Å; F391-F393 VanDerWaalsContact C-N 3.33Å; F391-F393 PolarHBondContact O-N 3.27Å; F391-L394 WeakPolarHBondContact O-CB 3.26Å; F391-L394 PolarHBondContact O-N 3.42Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD1-CG 4.4Å; F391-L395 HydrophobicContact CE1-CD1 3.7Å; F391-L395 HydrophobicContact CE1-CD2 4.36Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CZ-CD1 4.37Å; F391-L395 HydrophobicContact CZ-CD2 4.22Å; F391-L395 HydrophobicContact CZ-CG 4.35Å; F391-L395 PolarHBondContact O-N 2.86Å |
| 392 | G | 92.5 | Very high | 90.7 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y388 L389 L395 V396 | Y388-G392 PolarHBondContact O-N 3.25Å; L389-G392 PolarHBondContact O-N 3.25Å; G392-L395 PolarHBondContact O-N 3.34Å; G392-V396 WeakPolarHBondContact O-CG2 3.49Å; G392-V396 PolarHBondContact O-N 2.88Å; G392-V396 VanDerWaalsContact O-N 3.12Å |
| 393 | F | 93.3 | Very high | 91 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.6 | -178.7 | -88.7 | 0 | 0 | 0 | 111.9 | V362 M365 L389 G390 F391 L395 V396 F397 | V362-F393 HydrophobicContact CG1-CE2 3.91Å; V362-F393 HydrophobicContact CG1-CZ 4.35Å; M365-F393 HydrophobicContact CB-CD2 4.07Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 PolarHBondContact O-N 3.04Å; G390-F393 WeakPolarHBondContact O-CB 3.33Å; G390-F393 PolarHBondContact O-N 2.9Å; F391-F393 VanDerWaalsContact C-N 3.33Å; F391-F393 PolarHBondContact O-N 3.27Å; F393-L395 VanDerWaalsContact C-N 3.35Å; F393-L395 PolarHBondContact O-N 3.28Å; F393-V396 PolarHBondContact O-N 3.31Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.17Å |
| 394 | L | 93.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 52% | 0.518 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.6 | -68.6 | 174.1 | 0 | 0 | 0 | 112 | G390 F391 V396 F397 C398 | G390-L394 WeakPolarHBondContact O-CG 3.42Å; G390-L394 PolarHBondContact O-N 2.6Å; F391-L394 WeakPolarHBondContact O-CB 3.26Å; F391-L394 PolarHBondContact O-N 3.42Å; L394-V396 PolarHBondContact O-N 3.31Å; L394-F397 PolarHBondContact O-N 3.01Å; L394-C398 PolarHBondContact O-N 3.46Å; L394-C398 PolarHBondContact O-SG 3.34Å |
| 395 | L | 92.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.4 | -69.1 | 179.1 | 0 | 0 | 0 | 112.5 | V337 F391 G392 F393 F397 C398 A399 | V337-L395 HydrophobicContact CG1-CB 4.14Å; V337-L395 HydrophobicContact CG1-CD1 3.88Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD1-CG 4.4Å; F391-L395 HydrophobicContact CE1-CD1 3.7Å; F391-L395 HydrophobicContact CE1-CD2 4.36Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CZ-CD1 4.37Å; F391-L395 HydrophobicContact CZ-CD2 4.22Å; F391-L395 HydrophobicContact CZ-CG 4.35Å; F391-L395 PolarHBondContact O-N 2.86Å; G392-L395 PolarHBondContact O-N 3.34Å; F393-L395 VanDerWaalsContact C-N 3.35Å; F393-L395 PolarHBondContact O-N 3.28Å; L395-F397 VanDerWaalsContact C-N 3.33Å; L395-C398 PolarHBondContact O-N 3.1Å; L395-A399 PolarHBondContact O-N 3.48Å; L395-A399 VanDerWaalsContact O-N 3.11Å |
| 396 | V | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | V337 T361 V362 M365 G392 F393 L394 A399 L400 | V337-V396 HydrophobicContact CG2-CG2 4.42Å; T361-V396 WeakPolarHBondContact OG1-CG1 3.43Å; V362-V396 HydrophobicContact CG2-CG1 3.62Å; M365-V396 HydrophobicContact CG-CG2 4.03Å; G392-V396 WeakPolarHBondContact O-CG2 3.49Å; G392-V396 PolarHBondContact O-N 2.88Å; G392-V396 VanDerWaalsContact O-N 3.12Å; F393-V396 PolarHBondContact O-N 3.31Å; L394-V396 PolarHBondContact O-N 3.31Å; V396-A399 WeakPolarHBondContact O-CB 3.32Å; V396-A399 PolarHBondContact O-N 3.42Å; V396-L400 PolarHBondContact O-N 2.91Å |
| 397 | F | 92 | Very high | 91.3 | Very high | 102 Ų | 102 | 58.3 Ų | 58.3 | 45% | 0.447 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.2 | -168.1 | -105.5 | 0 | 0 | 0 | 112.4 | F393 L394 L395 A399 L400 I401 | F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.17Å; L394-F397 PolarHBondContact O-N 3.01Å; L395-F397 VanDerWaalsContact C-N 3.33Å; F397-A399 VanDerWaalsContact C-N 3.29Å; F397-A399 PolarHBondContact O-N 2.99Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 3.39Å; F397-L400 VanDerWaalsContact O-N 3.13Å; F397-I401 HydrophobicContact CD1-CD1 3.73Å; F397-I401 HydrophobicContact CD1-CG1 4.31Å; F397-I401 HydrophobicContact CE1-CD1 3.59Å; F397-I401 HydrophobicContact CE1-CG1 4.14Å; F397-I401 PolarHBondContact O-N 3.01Å |
| 398 | C | 91.8 | Very high | 91.4 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 172.3 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | L394 L395 L400 I401 E402 | L394-C398 PolarHBondContact O-N 3.46Å; L394-C398 PolarHBondContact O-SG 3.34Å; L395-C398 PolarHBondContact O-N 3.1Å; C398-L400 VanDerWaalsContact C-N 3.33Å; C398-L400 PolarHBondContact O-N 3.3Å; C398-I401 PolarHBondContact O-N 3.03Å; C398-E402 PolarHBondContact O-N 3.07Å |
| 399 | A | 88.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F344 L395 V396 F397 E402 Y403 | F344-A399 HydrophobicContact CE1-CB 4.06Å; F344-A399 HydrophobicContact CZ-CB 3.85Å; L395-A399 PolarHBondContact O-N 3.48Å; L395-A399 VanDerWaalsContact O-N 3.11Å; V396-A399 WeakPolarHBondContact O-CB 3.32Å; V396-A399 PolarHBondContact O-N 3.42Å; F397-A399 VanDerWaalsContact C-N 3.29Å; F397-A399 PolarHBondContact O-N 2.99Å; A399-E402 PolarHBondContact O-N 3.39Å; A399-Y403 PolarHBondContact O-N 3.37Å; A399-Y403 VanDerWaalsContact O-N 3.13Å |
| 400 | L | 90.7 | Very high | 91.2 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 172.4 | -80.5 | 174.9 | 0 | 0 | 0 | 112.8 | V362 V396 F397 C398 E402 Y403 A404 | V362-L400 HydrophobicContact CG2-CD1 3.48Å; V362-L400 VanDerWaalsContact CG2-CD1 3.48Å; V396-L400 PolarHBondContact O-N 2.91Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 3.39Å; F397-L400 VanDerWaalsContact O-N 3.13Å; C398-L400 VanDerWaalsContact C-N 3.33Å; C398-L400 PolarHBondContact O-N 3.3Å; L400-E402 VanDerWaalsContact C-N 3.35Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 2.98Å; L400-A404 PolarHBondContact O-N 3.06Å |
| 401 | I | 91.5 | Very high | 91.2 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.7 | -69.2 | 171.1 | 0 | 0 | 0 | 110.5 | F397 C398 Y403 A404 M405 | F397-I401 HydrophobicContact CD1-CD1 3.73Å; F397-I401 HydrophobicContact CD1-CG1 4.31Å; F397-I401 HydrophobicContact CE1-CD1 3.59Å; F397-I401 HydrophobicContact CE1-CG1 4.14Å; F397-I401 PolarHBondContact O-N 3.01Å; C398-I401 PolarHBondContact O-N 3.03Å; I401-Y403 VanDerWaalsContact C-N 3.29Å; I401-Y403 PolarHBondContact O-N 3.44Å; I401-A404 PolarHBondContact O-N 2.86Å; I401-A404 VanDerWaalsContact O-N 3.17Å; I401-M405 HydrophobicContact CG2-CG 4.14Å; I401-M405 WeakPolarHBondContact O-CB 3.28Å; I401-M405 VanDerWaalsContact O-CG 3.3Å; I401-M405 WeakPolarHBondContact O-CG 3.38Å; I401-M405 PolarHBondContact O-N 3.19Å |
| 402 | E | 90.6 | Very high | 91.3 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.3 | -48.3 | 175.2 | -174.6 | -82.1 | 163.5 | 0 | 0 | 110.6 | F344 C398 A399 L400 A404 M405 V406 | F344-E402 HydrophobicContact CD1-CG 4.35Å; F344-E402 WeakPolarHBondContact CD1-OE2 3.44Å; F344-E402 HydrophobicContact CE1-CB 4.02Å; F344-E402 HydrophobicContact CE1-CG 3.9Å; F344-E402 WeakPolarHBondContact CE1-OE2 3.39Å; C398-E402 PolarHBondContact O-N 3.07Å; A399-E402 PolarHBondContact O-N 3.39Å; L400-E402 VanDerWaalsContact C-N 3.35Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 3.09Å; E402-M405 PolarHBondContact O-N 3.03Å; E402-V406 VanDerWaalsContact O-CB 3.26Å; E402-V406 WeakPolarHBondContact O-CB 3.3Å; E402-V406 WeakPolarHBondContact O-CG2 3.18Å; E402-V406 PolarHBondContact O-N 3.45Å; E402-V406 WeakPolarHBondContact OE1-CG2 3.31Å |
| 403 | Y | 89.2 | Confident | 91.4 | Very high | 38 Ų | 38 | 71.1 Ų | 71.1 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60 | -43 | 177.4 | 168.4 | -107.4 | 0 | 0 | 0 | 112.6 | R354 V355 A399 L400 I401 S407 | R354-Y403 HydrophobicContact CB-CD2 3.85Å; R354-Y403 HydrophobicContact CB-CE2 3.74Å; R354-Y403 HydrophobicContact CB-CG 4.49Å; R354-Y403 HydrophobicContact CG-CD2 4.36Å; R354-Y403 HydrophobicContact CG-CE2 4.34Å; V355-Y403 HydrophobicContact CG2-CD1 4.49Å; V355-Y403 HydrophobicContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-OH 3.3Å; V355-Y403 WeakPolarHBondContact CG2-OH 3.45Å; A399-Y403 PolarHBondContact O-N 3.37Å; A399-Y403 VanDerWaalsContact O-N 3.13Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 2.98Å; I401-Y403 VanDerWaalsContact C-N 3.29Å; I401-Y403 PolarHBondContact O-N 3.44Å; Y403-S407 VanDerWaalsContact CE2-OG 3.27Å; Y403-S407 WeakPolarHBondContact CE2-OG 3.36Å; Y403-S407 WeakPolarHBondContact O-CB 3.29Å; Y403-S407 PolarHBondContact O-N 3.3Å; Y403-S407 PolarHBondContact O-OG 3.39Å |
| 404 | A | 91.5 | Very high | 91.4 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L400 I401 E402 S407 Y408 | L400-A404 PolarHBondContact O-N 3.06Å; I401-A404 PolarHBondContact O-N 2.86Å; I401-A404 VanDerWaalsContact O-N 3.17Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 3.09Å; A404-S407 PolarHBondContact O-N 2.93Å; A404-Y408 WeakPolarHBondContact O-CB 3.45Å; A404-Y408 PolarHBondContact O-N 3.41Å |
| 405 | M | 91.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.5 | -73.9 | -61.8 | -67.9 | 0 | 0 | 112.1 | I401 E402 Y408 T409 | I401-M405 HydrophobicContact CG2-CG 4.14Å; I401-M405 WeakPolarHBondContact O-CB 3.28Å; I401-M405 VanDerWaalsContact O-CG 3.3Å; I401-M405 WeakPolarHBondContact O-CG 3.38Å; I401-M405 PolarHBondContact O-N 3.19Å; E402-M405 PolarHBondContact O-N 3.03Å; M405-Y408 PolarHBondContact O-N 3.04Å; M405-T409 VanDerWaalsContact O-CG2 3.32Å; M405-T409 WeakPolarHBondContact O-CG2 3.44Å; M405-T409 PolarHBondContact O-N 3.46Å; M405-T409 PolarHBondContact O-OG1 3.38Å |
| 406 | V | 90.7 | Very high | 91.6 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 17% | 0.17 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -51.8 | 172.3 | 161.2 | 0 | 0 | 0 | 0 | 109 | R348 E402 Y408 T409 V410 | R348-V406 HydrophobicContact CG-CG1 4.23Å; R348-V406 VanDerWaalsContact CZ-O 3.31Å; R348-V406 VanDerWaalsContact NE-CG1 3.26Å; R348-V406 PolarHBondContact NE-O 3.13Å; R348-V406 VanDerWaalsContact NH2-CA 3.33Å; R348-V406 PolarHBondContact NH2-O 3.42Å; E402-V406 VanDerWaalsContact O-CB 3.26Å; E402-V406 WeakPolarHBondContact O-CB 3.3Å; E402-V406 WeakPolarHBondContact O-CG2 3.18Å; E402-V406 PolarHBondContact O-N 3.45Å; E402-V406 WeakPolarHBondContact OE1-CG2 3.31Å; V406-Y408 VanDerWaalsContact C-N 3.3Å; V406-Y408 PolarHBondContact O-N 2.96Å; V406-T409 PolarHBondContact O-N 3.1Å; V406-T409 PolarHBondContact O-OG1 3.45Å; V406-V410 PolarHBondContact O-N 3.18Å |
| 407 | S | 88.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 83.2 Ų | 83.2 | 28% | 0.28 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | Y403 A404 K411 | Y403-S407 VanDerWaalsContact CE2-OG 3.27Å; Y403-S407 WeakPolarHBondContact CE2-OG 3.36Å; Y403-S407 WeakPolarHBondContact O-CB 3.29Å; Y403-S407 PolarHBondContact O-N 3.3Å; Y403-S407 PolarHBondContact O-OG 3.39Å; A404-S407 PolarHBondContact O-N 2.93Å; S407-K411 PolarHBondContact O-N 3.36Å; S407-K411 VanDerWaalsContact O-N 3.09Å |
| 408 | Y | 92.4 | Very high | 91.9 | Very high | 143 Ų | 143 | 83.1 Ų | 83.1 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.9 | -47.1 | 176.5 | -179.6 | -101.7 | 0 | 0 | 0 | 113.3 | A404 M405 V406 V410 K411 R412 | A404-Y408 WeakPolarHBondContact O-CB 3.45Å; A404-Y408 PolarHBondContact O-N 3.41Å; M405-Y408 PolarHBondContact O-N 3.04Å; V406-Y408 VanDerWaalsContact C-N 3.3Å; V406-Y408 PolarHBondContact O-N 2.96Å; Y408-V410 VanDerWaalsContact C-N 3.33Å; Y408-V410 PolarHBondContact O-N 3.28Å; Y408-K411 PolarHBondContact O-N 3.27Å; Y408-R412 PolarHBondContact O-N 3.4Å |
| 409 | T | 91.7 | Very high | 92.1 | Very high | 57 Ų | 57 | 89 Ų | 89 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | -179.4 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | R348 M405 V406 Q413 | R348-T409 PolarHBondContact NH2-OG1 2.95Å; M405-T409 VanDerWaalsContact O-CG2 3.32Å; M405-T409 WeakPolarHBondContact O-CG2 3.44Å; M405-T409 PolarHBondContact O-N 3.46Å; M405-T409 PolarHBondContact O-OG1 3.38Å; V406-T409 PolarHBondContact O-N 3.1Å; V406-T409 PolarHBondContact O-OG1 3.45Å; T409-Q413 VanDerWaalsContact O-CG 3.31Å; T409-Q413 WeakPolarHBondContact O-CG 3.49Å; T409-Q413 PolarHBondContact O-N 2.93Å |
| 410 | V | 87.6 | Confident | 92.4 | Very high | 53 Ų | 53 | 91 Ų | 91 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.4 | -40.1 | 176 | 149.4 | 0 | 0 | 0 | 0 | 112.4 | R348 V406 Y408 R412 Q413 N414 | R348-V410 VanDerWaalsContact NE-CG2 3.33Å; R348-V410 VanDerWaalsContact NH1-CG2 3.29Å; R348-V410 VanDerWaalsContact NH2-CG2 3.29Å; V406-V410 PolarHBondContact O-N 3.18Å; Y408-V410 VanDerWaalsContact C-N 3.33Å; Y408-V410 PolarHBondContact O-N 3.28Å; V410-R412 VanDerWaalsContact C-N 3.32Å; V410-R412 PolarHBondContact O-N 2.78Å; V410-Q413 PolarHBondContact O-N 3.46Å; V410-N414 WeakPolarHBondContact O-CB 3.34Å; V410-N414 PolarHBondContact O-N 2.98Å |
| 411 | K | 91.6 | Very high | 92.7 | Very high | 138 Ų | 138 | 91.2 Ų | 91.2 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.5 | -50.5 | 172.9 | -176.4 | 178.3 | 178.5 | -179.3 | 0 | 110.5 | S407 Y408 Q413 N414 D415 | S407-K411 PolarHBondContact O-N 3.36Å; S407-K411 VanDerWaalsContact O-N 3.09Å; Y408-K411 PolarHBondContact O-N 3.27Å; K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.08Å; K411-N414 WeakPolarHBondContact O-CB 3.31Å; K411-N414 PolarHBondContact O-N 2.95Å; K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3Å |
| 412 | R | 94.8 | Very high | 92.8 | Very high | 131 Ų | 131 | 94.5 Ų | 94.5 | 49% | 0.494 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -39 | 177.4 | -170.5 | 179.1 | -174.4 | -168.2 | 3.6 | 113.1 | Y408 V410 R416 | Y408-R412 PolarHBondContact O-N 3.4Å; V410-R412 VanDerWaalsContact C-N 3.32Å; V410-R412 PolarHBondContact O-N 2.78Å; R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.48Å; R412-R416 PolarHBondContact O-N 3.23Å |
| 413 | Q | 94.1 | Very high | 93 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 175.5 | -75.4 | 178.9 | 3.4 | 0 | 0 | 112.2 | T409 V410 K411 R416 R417 | T409-Q413 VanDerWaalsContact O-CG 3.31Å; T409-Q413 WeakPolarHBondContact O-CG 3.49Å; T409-Q413 PolarHBondContact O-N 2.93Å; V410-Q413 PolarHBondContact O-N 3.46Å; K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.08Å; Q413-R416 PolarHBondContact O-N 3Å; Q413-R417 WeakPolarHBondContact O-CG 3.47Å; Q413-R417 PolarHBondContact O-N 3.47Å |
| 414 | N | 93 | Very high | 93.3 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 177.2 | -166.4 | 53.8 | 0 | 0 | 0 | 111 | V410 K411 R416 R417 I418 | V410-N414 WeakPolarHBondContact O-CB 3.34Å; V410-N414 PolarHBondContact O-N 2.98Å; K411-N414 WeakPolarHBondContact O-CB 3.31Å; K411-N414 PolarHBondContact O-N 2.95Å; N414-R416 VanDerWaalsContact C-N 3.3Å; N414-R416 PolarHBondContact O-N 3.31Å; N414-R417 WeakPolarHBondContact O-CB 3.37Å; N414-R417 PolarHBondContact O-N 2.89Å; N414-R417 VanDerWaalsContact O-N 3.08Å; N414-I418 WeakPolarHBondContact O-CG1 3.49Å; N414-I418 PolarHBondContact O-N 3.12Å |
| 415 | D | 95 | Very high | 93.4 | Very high | 85 Ų | 85 | 103 Ų | 103 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.3 | -61.1 | -18.7 | 0 | 0 | 0 | 111.4 | K411 I418 R419 | K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3Å; D415-I418 PolarHBondContact O-N 3.24Å; D415-R419 WeakPolarHBondContact O-CB 3.33Å; D415-R419 PolarHBondContact O-N 3.1Å |
| 416 | R | 95.9 | Very high | 93.5 | Very high | 151 Ų | 151 | 99.5 Ų | 99.5 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 174.4 | -74.9 | 175.6 | 175.8 | -168.4 | -3.2 | 112.6 | R412 Q413 N414 R419 S420 | R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.48Å; R412-R416 PolarHBondContact O-N 3.23Å; Q413-R416 PolarHBondContact O-N 3Å; N414-R416 VanDerWaalsContact C-N 3.3Å; N414-R416 PolarHBondContact O-N 3.31Å; R416-R419 PolarHBondContact O-N 2.72Å; R416-S420 WeakPolarHBondContact O-CB 3.33Å; R416-S420 PolarHBondContact O-N 3.31Å; R416-S420 PolarHBondContact O-OG 2.92Å |
| 417 | R | 95.3 | Very high | 93.6 | Very high | 161 Ų | 161 | 101 Ų | 101 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 177.3 | -74.1 | 174.2 | -173.7 | 171.1 | 4.9 | 111.2 | Q413 N414 R419 S420 A421 | Q413-R417 WeakPolarHBondContact O-CG 3.47Å; Q413-R417 PolarHBondContact O-N 3.47Å; N414-R417 WeakPolarHBondContact O-CB 3.37Å; N414-R417 PolarHBondContact O-N 2.89Å; N414-R417 VanDerWaalsContact O-N 3.08Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.26Å; R417-S420 WeakPolarHBondContact CA-OG 3.44Å; R417-S420 PolarHBondContact O-N 2.99Å; R417-S420 PolarHBondContact O-OG 3.4Å; R417-A421 WeakPolarHBondContact O-CB 3.42Å; R417-A421 PolarHBondContact O-N 3.26Å |
| 418 | I | 95 | Very high | 93.5 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 175.8 | -66.6 | 166.4 | 0 | 0 | 0 | 110.1 | N414 D415 S420 A421 F422 | N414-I418 WeakPolarHBondContact O-CG1 3.49Å; N414-I418 PolarHBondContact O-N 3.12Å; D415-I418 PolarHBondContact O-N 3.24Å; I418-S420 PolarHBondContact O-N 2.99Å; I418-A421 PolarHBondContact O-N 2.76Å; I418-F422 PolarHBondContact O-N 3.45Å |
| 419 | R | 95.9 | Very high | 93.2 | Very high | 197 Ų | 197 | 104.8 Ų | 104.8 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 177.1 | -168.5 | 174.5 | -175.9 | -177.2 | 0.5 | 112.3 | D415 R416 R417 A421 F422 T423 | D415-R419 WeakPolarHBondContact O-CB 3.33Å; D415-R419 PolarHBondContact O-N 3.1Å; R416-R419 PolarHBondContact O-N 2.72Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.26Å; R419-A421 VanDerWaalsContact C-N 3.34Å; R419-A421 PolarHBondContact O-N 2.89Å; R419-F422 PolarHBondContact O-N 3.4Å; R419-T423 PolarHBondContact O-N 3.45Å; R419-T423 VanDerWaalsContact O-N 3.1Å; R419-T423 PolarHBondContact O-OG1 3.15Å |
| 420 | S | 95.1 | Very high | 92.3 | Very high | 49 Ų | 49 | 109.5 Ų | 109.5 | 34% | 0.343 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | R416 R417 I418 R424 | R416-S420 WeakPolarHBondContact O-CB 3.33Å; R416-S420 PolarHBondContact O-N 3.31Å; R416-S420 PolarHBondContact O-OG 2.92Å; R417-S420 WeakPolarHBondContact CA-OG 3.44Å; R417-S420 PolarHBondContact O-N 2.99Å; R417-S420 PolarHBondContact O-OG 3.4Å; I418-S420 PolarHBondContact O-N 2.99Å; S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.93Å; S420-R424 VanDerWaalsContact O-N 3.12Å |
| 421 | A | 95.4 | Very high | 91 | Very high | 49 Ų | 49 | 109.8 Ų | 109.8 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R417 I418 R419 T423 R424 S425 | R417-A421 WeakPolarHBondContact O-CB 3.42Å; R417-A421 PolarHBondContact O-N 3.26Å; I418-A421 PolarHBondContact O-N 2.76Å; R419-A421 VanDerWaalsContact C-N 3.34Å; R419-A421 PolarHBondContact O-N 2.89Å; A421-T423 PolarHBondContact O-N 3.28Å; A421-R424 PolarHBondContact O-N 3.46Å; A421-S425 PolarHBondContact O-N 3.04Å; A421-S425 PolarHBondContact O-OG 3.27Å |
| 422 | F | 94.9 | Very high | 89.3 | Confident | 151 Ų | 151 | 108 Ų | 108 | 66% | 0.662 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.3 | -45.5 | 174.8 | -176.2 | -97.2 | 0 | 0 | 0 | 112.1 | I418 R419 R424 S425 A426 | I418-F422 PolarHBondContact O-N 3.45Å; R419-F422 PolarHBondContact O-N 3.4Å; F422-R424 VanDerWaalsContact C-N 3.34Å; F422-R424 PolarHBondContact O-N 2.93Å; F422-S425 PolarHBondContact O-N 2.86Å; F422-A426 PolarHBondContact O-N 3.42Å |
| 423 | T | 94.8 | Very high | 87.3 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -38.7 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | R419 A421 A426 A427 | R419-T423 PolarHBondContact O-N 3.45Å; R419-T423 VanDerWaalsContact O-N 3.1Å; R419-T423 PolarHBondContact O-OG1 3.15Å; A421-T423 PolarHBondContact O-N 3.28Å; T423-A426 PolarHBondContact O-N 3.18Å; T423-A427 PolarHBondContact O-N 3.21Å |
| 424 | R | 94.9 | Very high | 85.3 | Confident | 178 Ų | 178 | 111 Ų | 111 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -39.9 | 175.9 | -73.1 | 172.5 | -174.7 | 170.2 | 1 | 112.4 | S420 A421 F422 A427 Q428 | S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.93Å; S420-R424 VanDerWaalsContact O-N 3.12Å; A421-R424 PolarHBondContact O-N 3.46Å; F422-R424 VanDerWaalsContact C-N 3.34Å; F422-R424 PolarHBondContact O-N 2.93Å; R424-A427 PolarHBondContact O-N 3.05Å; R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-N 3.4Å |
| 425 | S | 94.2 | Very high | 83 | Confident | 73 Ų | 73 | 111 Ų | 111 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.7 | -38.9 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | A421 F422 Q428 S429 | A421-S425 PolarHBondContact O-N 3.04Å; A421-S425 PolarHBondContact O-OG 3.27Å; F422-S425 PolarHBondContact O-N 2.86Å; S425-Q428 PolarHBondContact O-N 3.44Å; S425-S429 PolarHBondContact O-N 3.23Å; S425-S429 VanDerWaalsContact O-N 3.16Å |
| 426 | A | 93.5 | Very high | 80.8 | Confident | 37 Ų | 37 | 115.7 Ų | 115.7 | 31% | 0.306 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.3 | -47.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F422 T423 Q428 S429 E430 | F422-A426 PolarHBondContact O-N 3.42Å; T423-A426 PolarHBondContact O-N 3.18Å; A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 3.28Å; A426-S429 PolarHBondContact O-N 3.02Å; A426-E430 PolarHBondContact O-N 2.94Å |
| 427 | A | 91.6 | Very high | 77.9 | Confident | 61 Ų | 61 | 117.8 Ų | 117.8 | 50% | 0.504 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.4 | -31.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T423 R424 A431 | T423-A427 PolarHBondContact O-N 3.21Å; R424-A427 PolarHBondContact O-N 3.05Å; A427-A431 PolarHBondContact O-N 2.91Å |
| 428 | Q | 87.2 | Confident | 75.3 | Confident | 155 Ų | 155 | 115.4 Ų | 115.4 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.2 | -31.5 | 173.7 | -75 | 177.7 | -9.6 | 0 | 0 | 112.8 | R424 S425 A426 | R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-N 3.4Å; S425-Q428 PolarHBondContact O-N 3.44Å; A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 3.28Å |
| 429 | S | 85 | Confident | 72.8 | Confident | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.9 | -27.1 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | S425 A426 | S425-S429 PolarHBondContact O-N 3.23Å; S425-S429 VanDerWaalsContact O-N 3.16Å; A426-S429 PolarHBondContact O-N 3.02Å |
| 430 | E | 73.3 | Confident | 69.9 | Low | 156 Ų | 156 | 117 Ų | 117 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -94 | -6.6 | 178.8 | -81.4 | 170.3 | 173.5 | 0 | 0 | 113.8 | A426 P432 | A426-E430 PolarHBondContact O-N 2.94Å; E430-P432 VanDerWaalsContact O-CD 3.29Å; E430-P432 WeakPolarHBondContact O-CD 3.22Å |
| 431 | A | 60.6 | Low | 67.2 | Low | 60 Ų | 60 | 120.9 Ų | 120.9 | 50% | 0.496 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -55.4 | 116.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | A427 T433 | A427-A431 PolarHBondContact O-N 2.91Å; A431-T433 PolarHBondContact O-N 3.41Å |
| 432 | P | 56.9 | Low | 64.4 | Low | 99 Ų | 99 | 123.7 Ų | 123.7 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | trans | -57.6 | 131.8 | -177.3 | 20.3 | -29.5 | 0 | 0 | 0 | 107.5 | E430 I434 | E430-P432 VanDerWaalsContact O-CD 3.29Å; E430-P432 WeakPolarHBondContact O-CD 3.22Å; P432-I434 HydrophobicContact CB-CG1 4.38Å; P432-I434 HydrophobicContact CG-CG1 4.1Å; P432-I434 PolarHBondContact O-N 2.87Å | ||
| 433 | T | 51.7 | Low | 61.5 | Low | 143 Ų | 143 | 124.2 Ų | 124.2 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | trans | -55.4 | 91.2 | 153.2 | -38.9 | 0 | 0 | 0 | 0 | 104.8 | A431 S435 | A431-T433 PolarHBondContact O-N 3.41Å; T433-S435 PolarHBondContact O-N 3.39Å | ||
| 434 | I | 52.1 | Low | 58.8 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -66.5 | 92 | 171.6 | -67.2 | 175.5 | 0 | 0 | 0 | 104 | P432 | P432-I434 HydrophobicContact CB-CG1 4.38Å; P432-I434 HydrophobicContact CG-CG1 4.1Å; P432-I434 PolarHBondContact O-N 2.87Å | ||
| 435 | S | 44.7 | Very low | 55.9 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | trans | 35.3 | 100.1 | 139.5 | -159.7 | 0 | 0 | 0 | 0 | 112.7 | T433 K437 | T433-S435 PolarHBondContact O-N 3.39Å; S435-K437 PolarHBondContact O-N 3.28Å; S435-K437 VanDerWaalsContact O-N 3.11Å | ||
| 436 | E | 48.1 | Very low | 53.3 | Low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -38.6 | 123.1 | 139.3 | -80.6 | 175.2 | 134 | 0 | 0 | 107.5 | P438 | E436-P438 VanDerWaalsContact O-CD 3.29Å; E436-P438 WeakPolarHBondContact O-CD 3.43Å; E436-P438 VanDerWaalsContact O-N 3.15Å | ||
| 437 | K | 35.8 | Very low | 50.5 | Low | 196 Ų | 196 | 138.9 Ų | 138.9 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -49.8 | 119.8 | 167.9 | -76.3 | 169.8 | 172.1 | 174.2 | 0 | 106.7 | S435 L439 | S435-K437 PolarHBondContact O-N 3.28Å; S435-K437 VanDerWaalsContact O-N 3.11Å; K437-L439 VanDerWaalsContact C-N 3.35Å; K437-L439 PolarHBondContact O-N 3.08Å | ||
| 438 | P | 41.1 | Very low | 47.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 105.2 | 167 | -10 | 25.8 | 0 | 0 | 0 | 105.9 | E436 L440 | E436-P438 VanDerWaalsContact O-CD 3.29Å; E436-P438 WeakPolarHBondContact O-CD 3.43Å; E436-P438 VanDerWaalsContact O-N 3.15Å; P438-L440 PolarHBondContact O-N 2.79Å | ||
| 439 | L | 41.5 | Very low | 45.6 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 110.6 | 167.1 | -114 | 157.8 | 0 | 0 | 0 | 106.6 | K437 T441 | K437-L439 VanDerWaalsContact C-N 3.35Å; K437-L439 PolarHBondContact O-N 3.08Å; L439-T441 PolarHBondContact O-N 3.44Å | ||
| 440 | L | 36.1 | Very low | 43.3 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -52 | 115.2 | 172.7 | -76.4 | 136 | 0 | 0 | 0 | 109.7 | P438 | P438-L440 PolarHBondContact O-N 2.79Š| ||
| 441 | T | 37.5 | Very low | 41.1 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -145.5 | 125.7 | 143.3 | -40.5 | 0 | 0 | 0 | 0 | 109 | L439 | L439-T441 PolarHBondContact O-N 3.44Š| ||
| 442 | P | 37.2 | Very low | 40 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -94.3 | 165 | -167.4 | 36.2 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 443 | L | 33.7 | Very low | 38.7 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 93.4 | 100.3 | 160.2 | -52.2 | -170.4 | 0 | 0 | 0 | 117.9 | ||||
| 444 | H | 39.1 | Very low | 37.6 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | -162.6 | 127.8 | 99.8 | -152.1 | -77 | 0 | 0 | 0 | 110.3 | L446 | H444-L446 PolarHBondContact O-N 3.13Š| |||
| 445 | R | 34 | Very low | 36.7 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -57.6 | 131 | 169.8 | -82.3 | 178.5 | -173.7 | 173.6 | 2.4 | 109.4 | ||||
| 446 | L | 39.4 | Very low | 35.9 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -128.4 | 147.2 | 157 | -79.9 | 169.4 | 0 | 0 | 0 | 109.9 | H444 | H444-L446 PolarHBondContact O-N 3.13Š| ||
| 447 | P | 34.9 | Very low | 35 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 170.4 | -156.5 | 29.2 | -20.2 | 0 | 0 | 0 | 113.7 | ||
| 448 | P | 33.9 | Very low | 34.9 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 157.1 | -161.3 | 29 | -35 | 0 | 0 | 0 | 114.7 | ||
| 449 | P | 41 | Very low | 34.3 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.2 | -167.1 | 30.3 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 450 | V | 37.5 | Very low | 34 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129.7 | 166.9 | 174.5 | 0 | 0 | 0 | 0 | 109 | ||
| 451 | K | 26.4 | Very low | 33.6 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 124.9 | 174.8 | -62.6 | 176.6 | -179 | 177.9 | 0 | 109.5 | ||
| 452 | L | 37.9 | Very low | 33.2 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -139.4 | 134.1 | 157.6 | -147.7 | 75.7 | 0 | 0 | 0 | 110.1 | ||||
| 453 | N | 29.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -79.5 | 154.9 | -164.7 | -61 | -35.1 | 0 | 0 | 0 | 113.4 | ||||
| 454 | A | 28.1 | Very low | 32.2 | Very low | 93 Ų | 93 | 152 Ų | 152 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 49.4 | 98.2 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 455 | I | 34.1 | Very low | 31.8 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 122.1 | 137.6 | -58.6 | -176.9 | 0 | 0 | 0 | 108.1 | ||||
| 456 | E | 28.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 163.1 | 177 | -101.5 | -178.9 | 146 | 0 | 0 | 113.6 | ||
| 457 | P | 28.1 | Very low | 31.1 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 163.5 | -153.4 | 39.5 | -34.6 | 0 | 0 | 0 | 114.3 | ||
| 458 | P | 33.6 | Very low | 30.7 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 124.9 | 155.6 | 19.3 | -4.7 | 0 | 0 | 0 | 111.3 | ||
| 459 | L | 28.6 | Very low | 30.7 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.8 | 163.9 | -70.1 | 146.2 | 0 | 0 | 0 | 111.1 | ||
| 460 | I | 34.3 | Very low | 30.1 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -169 | 129.9 | 133.2 | -88.2 | 141.4 | 0 | 0 | 0 | 108.9 | ||||
| 461 | A | 29.7 | Very low | 29.6 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 169.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 462 | P | 28.7 | Very low | 29.6 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -119.3 | 167 | -154.7 | 43.7 | -32.3 | 0 | 0 | 0 | 116.1 | ||||
| 463 | W | 26.2 | Very low | 29.4 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 84% | 0.837 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 103.2 | 159.1 | -52 | 111.3 | 0 | 0 | 0 | 119.7 | ||||
| 464 | K | 22.4 | Very low | 29.2 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -113.2 | 103.5 | 156.9 | -157.5 | 177.9 | -173.1 | -176.9 | 0 | 107.9 | N466 | K464-N466 PolarHBondContact O-N 3.23Š| ||
| 465 | H | 31.3 | Very low | 29.1 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.6 | 170.1 | -96.7 | -79.7 | 0 | 0 | 0 | 109.2 | S467 | H465-S467 PolarHBondContact O-N 3Š|
| 466 | N | 28.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69 | 118.9 | 171.4 | -73.9 | -25.1 | 0 | 0 | 0 | 109.9 | K464 | K464-N466 PolarHBondContact O-N 3.23Š|
| 467 | S | 29.5 | Very low | 28.9 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.6 | 163.8 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | H465 | H465-S467 PolarHBondContact O-N 3Š|
| 468 | V | 27.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 153 Ų | 153 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 145 | 164.1 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 469 | P | 33.6 | Very low | 28.8 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -112.6 | 150.4 | -157.5 | 37.9 | -25.1 | 0 | 0 | 0 | 114 | ||||
| 470 | E | 29.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -156.3 | 108.8 | 147.8 | -155.4 | 96.1 | -130.9 | 0 | 0 | 112 | ||||
| 471 | R | 25.6 | Very low | 29.3 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | 24.9 | 126.1 | 147.6 | -77.1 | -174 | -94.7 | -139.4 | -9.1 | 124.8 | ||||
| 472 | I | 27.6 | Very low | 29.6 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | 69.4 | 109.6 | 120.8 | -55.8 | 167.4 | 0 | 0 | 0 | 118.5 | |||||
| 473 | N | 32.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | -153.4 | 124.3 | 116.6 | -88.1 | -33.8 | 0 | 0 | 0 | 111.3 | |||||
| 474 | Q | 26 | Very low | 31.2 | Very low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -37.1 | 166.7 | 164.2 | -84.6 | 124.2 | -39.2 | 0 | 0 | 115.5 | ||||
| 475 | C | 25.6 | Very low | 32.4 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | -171.8 | 154.6 | -13.4 | -106.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 476 | Q | 24.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 60.5 | 107.4 | 147.6 | -69.5 | 177 | -43.7 | 0 | 0 | 119.6 | ||||
| 477 | Y | 34.2 | Very low | 34.4 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 94% | 0.941 | 72% | 0.723 | S | S | * | * | -154.5 | 116 | 98.6 | -97.3 | -79.6 | 0 | 0 | 0 | 107.8 | |||||
| 478 | E | 26.4 | Very low | 36.2 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | trans | -84.5 | 110.2 | 179.5 | -90.5 | 156.4 | 126.1 | 0 | 0 | 110.9 | ||||
| 479 | E | 31.8 | Very low | 37.9 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | -125.4 | 139.1 | 143.3 | -94.3 | -170.7 | 150.3 | 0 | 0 | 107.5 | ||||
| 480 | P | 35 | Very low | 39.6 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | trans | -66 | 135.8 | -166.9 | 27 | -33.2 | 0 | 0 | 0 | 110.2 | C482 | P480-C482 PolarHBondContact O-N 3.47Š| ||
| 481 | P | 38.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -64 | 116.4 | -178.4 | 25.4 | -32 | 0 | 0 | 0 | 108.9 | N483 | P481-N483 PolarHBondContact O-N 3.04Š| ||
| 482 | C | 36.7 | Very low | 43.6 | Very low | 113 Ų | 113 | 126 Ų | 126 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -51.3 | 110.7 | 169 | -57.2 | 0 | 0 | 0 | 0 | 107.7 | P480 C484 | P480-C482 PolarHBondContact O-N 3.47Å; C482-C484 PolarHBondContact O-N 3.07Å | ||
| 483 | N | 44.8 | Very low | 45.8 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | 33.4 | -168.2 | -147.4 | 0.1 | 0 | 0 | 0 | 112.6 | P481 G485 K486 L487 | P481-N483 PolarHBondContact O-N 3.04Å; N483-G485 PolarHBondContact O-N 2.95Å; N483-K486 PolarHBondContact O-N 3.5Å; N483-K486 VanDerWaalsContact OD1-CB 3.31Å; N483-K486 WeakPolarHBondContact OD1-CB 3.49Å; N483-K486 WeakPolarHBondContact OD1-CD 3.25Å; N483-K486 WeakPolarHBondContact OD1-CG 3.4Å; N483-L487 PolarHBondContact O-N 3.04Å; N483-L487 VanDerWaalsContact O-N 3.13Å |
| 484 | C | 44 | Very low | 47.7 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.1 | -31.1 | 176.8 | -76.5 | 0 | 0 | 0 | 0 | 111.3 | C482 L487 V488 | C482-C484 PolarHBondContact O-N 3.07Å; C484-L487 PolarHBondContact O-N 3.39Å; C484-V488 WeakPolarHBondContact O-CB 3.38Å; C484-V488 VanDerWaalsContact O-CG2 3.24Å; C484-V488 WeakPolarHBondContact O-CG2 3.34Å; C484-V488 PolarHBondContact O-N 2.88Å |
| 485 | G | 47.8 | Very low | 50.1 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.8 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N483 S489 | N483-G485 PolarHBondContact O-N 2.95Å; G485-S489 WeakPolarHBondContact O-CB 3.31Å; G485-S489 PolarHBondContact O-N 3.05Å; G485-S489 VanDerWaalsContact O-N 3.08Å |
| 486 | K | 48.1 | Very low | 52.2 | Low | 137 Ų | 137 | 117.3 Ų | 117.3 | 60% | 0.596 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71 | -37.1 | 174.8 | -80.5 | -173.4 | 175.6 | 176.2 | 0 | 111.9 | N483 S489 Q490 | N483-K486 PolarHBondContact O-N 3.5Å; N483-K486 VanDerWaalsContact OD1-CB 3.31Å; N483-K486 WeakPolarHBondContact OD1-CB 3.49Å; N483-K486 WeakPolarHBondContact OD1-CD 3.25Å; N483-K486 WeakPolarHBondContact OD1-CG 3.4Å; K486-S489 PolarHBondContact O-N 3.42Å; K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 WeakPolarHBondContact O-CG 3.42Å; K486-Q490 PolarHBondContact O-N 3.2Å |
| 487 | L | 52.8 | Low | 54.5 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.8 | -39.7 | -179.5 | -134.7 | 133.1 | 0 | 0 | 0 | 111.8 | N483 C484 Q490 M491 | N483-L487 PolarHBondContact O-N 3.04Å; N483-L487 VanDerWaalsContact O-N 3.13Å; C484-L487 PolarHBondContact O-N 3.39Å; L487-Q490 PolarHBondContact O-N 3.28Å; L487-M491 WeakPolarHBondContact O-CB 3.31Å; L487-M491 PolarHBondContact O-N 2.83Å |
| 488 | V | 67.2 | Low | 56.1 | Low | 91 Ų | 91 | 110.3 Ų | 110.3 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.8 | -41.3 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | C484 M491 V492 | C484-V488 WeakPolarHBondContact O-CB 3.38Å; C484-V488 VanDerWaalsContact O-CG2 3.24Å; C484-V488 WeakPolarHBondContact O-CG2 3.34Å; C484-V488 PolarHBondContact O-N 2.88Å; V488-M491 PolarHBondContact O-N 3.42Å; V488-V492 HydrophobicContact CG1-CG2 4.41Å; V488-V492 WeakPolarHBondContact O-CB 3.44Å; V488-V492 VanDerWaalsContact O-CG2 3.25Å; V488-V492 WeakPolarHBondContact O-CG2 3.43Å; V488-V492 PolarHBondContact O-N 3.39Å |
| 489 | S | 62.3 | Low | 58 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 51% | 0.51 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -39.8 | 176.1 | -163.4 | 0 | 0 | 0 | 0 | 112.1 | G485 K486 V492 V493 | G485-S489 WeakPolarHBondContact O-CB 3.31Å; G485-S489 PolarHBondContact O-N 3.05Å; G485-S489 VanDerWaalsContact O-N 3.08Å; K486-S489 PolarHBondContact O-N 3.42Å; S489-V492 PolarHBondContact O-N 2.97Å; S489-V493 VanDerWaalsContact O-CG2 3.27Å; S489-V493 WeakPolarHBondContact O-CG2 3.37Å; S489-V493 PolarHBondContact O-N 3.16Å |
| 490 | Q | 69.2 | Low | 59.7 | Low | 136 Ų | 136 | 103.4 Ų | 103.4 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -40.3 | 175.5 | -79.2 | -178 | -20.3 | 0 | 0 | 111.8 | K486 L487 V493 A494 | K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 WeakPolarHBondContact O-CG 3.42Å; K486-Q490 PolarHBondContact O-N 3.2Å; L487-Q490 PolarHBondContact O-N 3.28Å; Q490-V493 PolarHBondContact O-N 3.2Å; Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 3.15Å |
| 491 | M | 66.7 | Low | 61 | Low | 129 Ų | 129 | 103 Ų | 103 | 64% | 0.635 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -41.4 | 172.7 | -93.1 | -174 | 139.4 | 0 | 0 | 112.1 | L487 V488 A494 V495 | L487-M491 WeakPolarHBondContact O-CB 3.31Å; L487-M491 PolarHBondContact O-N 2.83Å; V488-M491 PolarHBondContact O-N 3.42Å; M491-A494 PolarHBondContact O-N 3.34Å; M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 WeakPolarHBondContact O-CG2 3.34Å; M491-V495 PolarHBondContact O-N 2.89Å |
| 492 | V | 73.4 | Confident | 62.2 | Low | 95 Ų | 95 | 104.7 Ų | 104.7 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -39.2 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | V488 S489 K496 | V488-V492 HydrophobicContact CG1-CG2 4.41Å; V488-V492 WeakPolarHBondContact O-CB 3.44Å; V488-V492 VanDerWaalsContact O-CG2 3.25Å; V488-V492 WeakPolarHBondContact O-CG2 3.43Å; V488-V492 PolarHBondContact O-N 3.39Å; S489-V492 PolarHBondContact O-N 2.97Å; V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 PolarHBondContact O-N 3.04Å |
| 493 | V | 73.7 | Confident | 63.4 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.436 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -46.7 | 174.3 | 173 | 0 | 0 | 0 | 0 | 110.7 | S489 Q490 V495 K496 E497 | S489-V493 VanDerWaalsContact O-CG2 3.27Å; S489-V493 WeakPolarHBondContact O-CG2 3.37Å; S489-V493 PolarHBondContact O-N 3.16Å; Q490-V493 PolarHBondContact O-N 3.2Å; V493-V495 PolarHBondContact O-N 3.05Å; V493-K496 WeakPolarHBondContact O-CA 3.27Å; V493-K496 WeakPolarHBondContact O-CB 3.42Å; V493-K496 PolarHBondContact O-N 3.32Å; V493-E497 HydrophobicContact CG1-CG 4.47Å; V493-E497 PolarHBondContact O-N 3.18Å |
| 494 | A | 72.2 | Confident | 64.4 | Low | 50 Ų | 50 | 106.8 Ų | 106.8 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q490 M491 K496 E497 H498 | Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 3.15Å; M491-A494 PolarHBondContact O-N 3.34Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 3.38Å; A494-E497 PolarHBondContact O-N 3.1Å; A494-H498 WeakPolarHBondContact O-CB 3.5Å; A494-H498 PolarHBondContact O-N 3.23Å |
| 495 | V | 77.1 | Confident | 65.3 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -33.4 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | M491 V493 N499 | M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 WeakPolarHBondContact O-CG2 3.34Å; M491-V495 PolarHBondContact O-N 2.89Å; V493-V495 PolarHBondContact O-N 3.05Å; V495-N499 WeakPolarHBondContact O-CB 3.37Å; V495-N499 PolarHBondContact O-N 2.89Å; V495-N499 PolarHBondContact O-ND2 3.2Å |
| 496 | K | 70.1 | Confident | 65.9 | Low | 140 Ų | 140 | 110.5 Ų | 110.5 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.4 | -43.9 | 177.6 | -165.5 | 176.4 | -179.2 | -173.3 | 0 | 111.3 | V492 V493 A494 N499 Q500 | V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 PolarHBondContact O-N 3.04Å; V493-K496 WeakPolarHBondContact O-CA 3.27Å; V493-K496 WeakPolarHBondContact O-CB 3.42Å; V493-K496 PolarHBondContact O-N 3.32Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 3.38Å; K496-N499 PolarHBondContact O-N 2.71Å; K496-Q500 PolarHBondContact O-N 3.38Å |
| 497 | E | 73 | Confident | 66.4 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.4 | -44.8 | 175.5 | -73.6 | 174.8 | 168.7 | 0 | 0 | 111.6 | V493 A494 N499 Q500 Q501 | V493-E497 HydrophobicContact CG1-CG 4.47Å; V493-E497 PolarHBondContact O-N 3.18Å; A494-E497 PolarHBondContact O-N 3.1Å; E497-N499 VanDerWaalsContact C-N 3.29Å; E497-N499 PolarHBondContact O-N 2.74Å; E497-Q500 WeakPolarHBondContact O-CB 3.48Å; E497-Q500 PolarHBondContact O-N 3.41Å; E497-Q501 PolarHBondContact O-N 3.04Å |
| 498 | H | 67.2 | Low | 66.4 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -33.1 | 178.8 | -161.2 | -49 | 0 | 0 | 0 | 112.8 | A494 R502 | A494-H498 WeakPolarHBondContact O-CB 3.5Å; A494-H498 PolarHBondContact O-N 3.23Å; H498-R502 PolarHBondContact O-N 3.24Å |
| 499 | N | 66.3 | Low | 65.7 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.1 | -29.2 | 173.6 | -80.8 | -41.1 | 0 | 0 | 0 | 112.7 | V495 K496 E497 K503 | V495-N499 WeakPolarHBondContact O-CB 3.37Å; V495-N499 PolarHBondContact O-N 2.89Å; V495-N499 PolarHBondContact O-ND2 3.2Å; K496-N499 PolarHBondContact O-N 2.71Å; E497-N499 VanDerWaalsContact C-N 3.29Å; E497-N499 PolarHBondContact O-N 2.74Å; N499-K503 PolarHBondContact O-N 3.17Å |
| 500 | Q | 68.7 | Low | 65.8 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.6 | -40.5 | 176.1 | -159.2 | 131.7 | -23.4 | 0 | 0 | 110.8 | K496 E497 K503 I504 | K496-Q500 PolarHBondContact O-N 3.38Å; E497-Q500 WeakPolarHBondContact O-CB 3.48Å; E497-Q500 PolarHBondContact O-N 3.41Å; Q500-K503 WeakPolarHBondContact O-CB 3.47Å; Q500-K503 PolarHBondContact O-N 3.04Å; Q500-K503 VanDerWaalsContact O-N 3.15Å; Q500-I504 WeakPolarHBondContact O-CG1 3.29Å; Q500-I504 PolarHBondContact O-N 2.98Å |
| 501 | Q | 61.3 | Low | 65.7 | Low | 105 Ų | 105 | 118.2 Ų | 118.2 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62 | -45.9 | 175.2 | -161.4 | 64.5 | 21.3 | 0 | 0 | 111.9 | E497 K503 I504 D505 | E497-Q501 PolarHBondContact O-N 3.04Å; Q501-K503 PolarHBondContact O-N 3.37Å; Q501-I504 PolarHBondContact O-N 3.11Å; Q501-D505 PolarHBondContact O-N 2.91Å |
| 502 | R | 64.9 | Low | 65.6 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 59% | 0.585 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -57.5 | -34.4 | 174 | -79.4 | -164.9 | -158.5 | -161.5 | 5.1 | 113.4 | H498 I504 L506 | H498-R502 PolarHBondContact O-N 3.24Å; R502-I504 VanDerWaalsContact C-N 3.34Å; R502-L506 WeakPolarHBondContact O-CB 3.38Å; R502-L506 WeakPolarHBondContact O-CD1 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3.14Å; R502-L506 VanDerWaalsContact O-N 3.1Å |
| 503 | K | 60.9 | Low | 65.2 | Low | 153 Ų | 153 | 118.9 Ų | 118.9 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.1 | -27.2 | 178.5 | -85.5 | -175.2 | 175.9 | -176.8 | 0 | 113 | N499 Q500 Q501 | N499-K503 PolarHBondContact O-N 3.17Å; Q500-K503 WeakPolarHBondContact O-CB 3.47Å; Q500-K503 PolarHBondContact O-N 3.04Å; Q500-K503 VanDerWaalsContact O-N 3.15Å; Q501-K503 PolarHBondContact O-N 3.37Å |
| 504 | I | 65.9 | Low | 64.6 | Low | 101 Ų | 101 | 121.8 Ų | 121.8 | 52% | 0.518 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.4 | -45.7 | 175.5 | -64.4 | 167.5 | 0 | 0 | 0 | 109 | Q500 Q501 R502 L506 R507 G508 | Q500-I504 WeakPolarHBondContact O-CG1 3.29Å; Q500-I504 PolarHBondContact O-N 2.98Å; Q501-I504 PolarHBondContact O-N 3.11Å; R502-I504 VanDerWaalsContact C-N 3.34Å; I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.33Å; I504-R507 PolarHBondContact O-N 3.03Å; I504-G508 PolarHBondContact O-N 3.45Å |
| 505 | D | 62.1 | Low | 64.1 | Low | 96 Ų | 96 | 126.6 Ų | 126.6 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61 | -40.1 | 178.2 | -66.2 | -21.6 | 0 | 0 | 0 | 112 | Q501 R507 G508 | Q501-D505 PolarHBondContact O-N 2.91Å; D505-R507 PolarHBondContact O-N 3.18Å; D505-G508 PolarHBondContact O-N 3.45Å; D505-G508 VanDerWaalsContact O-N 3.14Å |
| 506 | L | 60.1 | Low | 63.2 | Low | 128 Ų | 128 | 129.4 Ų | 129.4 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -10.7 | 176.3 | -80.3 | 164.2 | 0 | 0 | 0 | 114.9 | R502 I504 | R502-L506 WeakPolarHBondContact O-CB 3.38Å; R502-L506 WeakPolarHBondContact O-CD1 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3.14Å; R502-L506 VanDerWaalsContact O-N 3.1Å; I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.33Å |
| 507 | R | 58.6 | Low | 62.7 | Low | 229 Ų | 229 | 128.5 Ų | 128.5 | 86% | 0.864 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -9.2 | 172.2 | -74.9 | -172.5 | -167 | -156.6 | 1.1 | 113 | I504 D505 | I504-R507 PolarHBondContact O-N 3.03Å; D505-R507 PolarHBondContact O-N 3.18Å |
| 508 | G | 54.2 | Low | 61.8 | Low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 64% | 0.642 | S | S | * | * | trans | -95.8 | -6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I504 D505 | I504-G508 PolarHBondContact O-N 3.45Å; D505-G508 PolarHBondContact O-N 3.45Å; D505-G508 VanDerWaalsContact O-N 3.14Å | ||
| 509 | T | 51.4 | Low | 61.3 | Low | 170 Ų | 170 | 129.5 Ų | 129.5 | 100% | 1.043 | 65% | 0.651 | S | S | * | * | trans | -109.8 | 0 | 170.1 | 57 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 509 of 509 residues in 280.1 ms
(Link to these results)